number_ resnum chain resname atname typenum typenam covrad vdwrad surface volume refvol packeff goodbad 1 62 A VAL N 12 N3H1s 0.700 1.640 45.436 -1.000 13.553 -1.000 bad 2 62 A VAL CA 3 C4H1s 0.770 1.880 14.531 -1.000 13.078 -1.000 bad 3 62 A VAL C 1 C3H0s 0.770 1.610 3.724 9.264 8.528 1.086 possible 4 62 A VAL O 16 O1H0u 0.660 1.420 17.977 -1.000 15.998 -1.000 bad 5 62 A VAL CB 4 C4H1b 0.770 1.880 15.364 -1.000 14.514 -1.000 bad 6 62 A VAL CG1 10 C4H3u 0.770 1.880 53.509 -1.000 36.320 -1.000 bad 7 62 A VAL CG2 10 C4H3u 0.770 1.880 35.454 -1.000 36.173 -1.000 bad 19 63 A GLN N 12 N3H1s 0.700 1.640 6.592 -1.000 13.449 -1.000 bad 20 63 A GLN CA 3 C4H1s 0.770 1.880 3.332 13.756 13.231 1.040 possible 21 63 A GLN C 1 C3H0s 0.770 1.610 3.472 10.358 8.744 1.185 possible 22 63 A GLN O 16 O1H0u 0.660 1.420 4.497 21.141 15.767 1.341 possible 23 63 A GLN CB 8 C4H2s 0.770 1.880 31.402 -1.000 23.059 -1.000 bad 24 63 A GLN CG 8 C4H2s 0.770 1.880 34.581 -1.000 23.218 -1.000 bad 25 63 A GLN CD 2 C3H0b 0.770 1.610 2.101 -1.000 9.618 -1.000 bad 26 63 A GLN OE1 16 O1H0u 0.660 1.420 39.579 -1.000 16.571 -1.000 bad 27 63 A GLN NE2 15 N3H2u 0.700 1.640 40.885 -1.000 23.255 -1.000 bad 36 64 A LEU N 12 N3H1s 0.700 1.640 7.235 29.324 13.517 2.169 possible 37 64 A LEU CA 3 C4H1s 0.770 1.880 11.424 -1.000 13.055 -1.000 bad 38 64 A LEU C 1 C3H0s 0.770 1.610 5.614 12.427 8.781 1.415 possible 39 64 A LEU O 16 O1H0u 0.660 1.420 14.461 -1.000 15.957 -1.000 bad 40 64 A LEU CB 8 C4H2s 0.770 1.880 5.427 35.720 22.818 1.565 possible 41 64 A LEU CG 4 C4H1b 0.770 1.880 3.709 20.660 14.704 1.405 possible 42 64 A LEU CD1 10 C4H3u 0.770 1.880 30.251 -1.000 37.235 -1.000 bad 43 64 A LEU CD2 10 C4H3u 0.770 1.880 35.787 -1.000 37.020 -1.000 bad 55 65 A ALA N 12 N3H1s 0.700 1.640 4.282 22.055 13.872 1.590 possible 56 65 A ALA CA 4 C4H1b 0.770 1.880 13.659 -1.000 13.959 -1.000 bad 57 65 A ALA C 1 C3H0s 0.770 1.610 1.899 -1.000 8.858 -1.000 bad 58 65 A ALA O 16 O1H0u 0.660 1.420 13.875 -1.000 16.026 -1.000 bad 59 65 A ALA CB 10 C4H3u 0.770 1.880 52.650 -1.000 36.551 -1.000 bad 65 66 A HIS N 12 N3H1s 0.700 1.640 5.852 24.278 13.532 1.794 possible 66 66 A HIS CA 3 C4H1s 0.770 1.880 6.241 29.116 13.335 2.183 possible 67 66 A HIS C 1 C3H0s 0.770 1.610 5.697 14.402 8.760 1.644 possible 68 66 A HIS O 16 O1H0u 0.660 1.420 6.701 35.184 15.855 2.219 possible 69 66 A HIS CB 8 C4H2s 0.770 1.880 4.893 43.410 23.443 1.852 possible 70 66 A HIS CG 2 C3H0b 0.770 1.610 2.751 9.739 9.870 0.987 [OK] 71 66 A HIS ND1 13 N3H1b 0.700 1.640 4.741 30.876 15.483 1.994 possible 72 66 A HIS CD2 5 C3H1s 0.770 1.760 19.419 -1.000 20.938 -1.000 bad 73 66 A HIS CE1 5 C3H1s 0.770 1.760 26.979 -1.000 20.491 -1.000 bad 74 66 A HIS NE2 13 N3H1b 0.700 1.640 27.194 -1.000 15.758 -1.000 bad 82 67 A HIS N 12 N3H1s 0.700 1.640 4.611 27.469 13.532 2.030 possible 83 67 A HIS CA 3 C4H1s 0.770 1.880 5.578 27.548 13.335 2.066 possible 84 67 A HIS C 1 C3H0s 0.770 1.610 3.257 9.902 8.760 1.130 possible 85 67 A HIS O 16 O1H0u 0.660 1.420 22.630 -1.000 15.855 -1.000 bad 86 67 A HIS CB 8 C4H2s 0.770 1.880 17.352 -1.000 23.443 -1.000 bad 87 67 A HIS CG 2 C3H0b 0.770 1.610 0.739 -1.000 9.870 -1.000 bad 88 67 A HIS ND1 13 N3H1b 0.700 1.640 22.261 -1.000 15.483 -1.000 bad 89 67 A HIS CD2 5 C3H1s 0.770 1.760 19.615 -1.000 20.938 -1.000 bad 90 67 A HIS CE1 5 C3H1s 0.770 1.760 43.669 -1.000 20.491 -1.000 bad 91 67 A HIS NE2 13 N3H1b 0.700 1.640 32.402 -1.000 15.758 -1.000 bad 99 68 A PHE N 12 N3H1s 0.700 1.640 4.579 21.683 13.524 1.603 possible 100 68 A PHE CA 3 C4H1s 0.770 1.880 5.212 19.542 13.371 1.462 possible 101 68 A PHE C 1 C3H0s 0.770 1.610 2.665 8.129 8.697 0.935 [OK] 102 68 A PHE O 16 O1H0u 0.660 1.420 4.469 24.449 15.961 1.532 possible 103 68 A PHE CB 8 C4H2s 0.770 1.880 26.435 -1.000 23.623 -1.000 bad 104 68 A PHE CG 2 C3H0b 0.770 1.610 0.470 -1.000 9.684 -1.000 bad 105 68 A PHE CD1 5 C3H1s 0.770 1.760 16.472 -1.000 20.325 -1.000 bad 106 68 A PHE CD2 6 C3H1b 0.770 1.760 26.787 -1.000 20.948 -1.000 bad 107 68 A PHE CE1 6 C3H1b 0.770 1.760 35.922 -1.000 21.532 -1.000 bad 108 68 A PHE CE2 6 C3H1b 0.770 1.760 36.497 -1.000 21.625 -1.000 bad 109 68 A PHE CZ 6 C3H1b 0.770 1.760 35.133 -1.000 21.555 -1.000 bad 119 69 A SER N 12 N3H1s 0.700 1.640 10.354 -1.000 13.808 -1.000 bad 120 69 A SER CA 3 C4H1s 0.770 1.880 16.334 -1.000 13.351 -1.000 bad 121 69 A SER C 1 C3H0s 0.770 1.610 3.367 9.133 8.858 1.031 possible 122 69 A SER O 16 O1H0u 0.660 1.420 4.649 25.861 15.860 1.631 possible 123 69 A SER CB 8 C4H2s 0.770 1.880 42.959 -1.000 23.599 -1.000 bad 124 69 A SER OG 17 O2H1u 0.660 1.460 18.067 -1.000 18.021 -1.000 bad 130 70 A GLU N 12 N3H1s 0.700 1.640 5.316 -1.000 13.461 -1.000 bad 131 70 A GLU CA 3 C4H1s 0.770 1.880 4.300 15.790 13.284 1.189 possible 132 70 A GLU C 1 C3H0s 0.770 1.610 3.473 11.055 8.631 1.281 possible 133 70 A GLU O 16 O1H0u 0.660 1.420 4.404 28.749 15.765 1.824 possible 134 70 A GLU CB 8 C4H2s 0.770 1.880 6.957 56.231 23.214 2.422 possible 135 70 A GLU CG 8 C4H2s 0.770 1.880 7.900 76.200 23.304 3.270 possible 136 70 A GLU CD 2 C3H0b 0.770 1.610 4.429 -1.000 9.437 -1.000 bad 137 70 A GLU OE1 16 O1H0u 0.660 1.420 45.166 -1.000 15.497 -1.000 bad 138 70 A GLU OE2 16 O1H0u 0.660 1.420 45.567 -1.000 16.213 -1.000 bad 145 71 A PRO N 11 N3H0u 0.700 1.640 3.509 10.602 8.650 1.226 possible 146 71 A PRO CA 4 C4H1b 0.770 1.880 11.169 -1.000 13.828 -1.000 bad 147 71 A PRO C 1 C3H0s 0.770 1.610 2.843 8.800 8.768 1.004 [OK] 148 71 A PRO O 16 O1H0u 0.660 1.420 3.288 15.909 15.856 1.003 possible 149 71 A PRO CB 9 C4H2b 0.770 1.880 12.082 -1.000 25.314 -1.000 bad 150 71 A PRO CG 9 C4H2b 0.770 1.880 4.488 32.787 25.480 1.287 possible 151 71 A PRO CD 8 C4H2s 0.770 1.880 6.038 43.266 23.390 1.850 possible 159 72 A GLU N 12 N3H1s 0.700 1.640 5.386 20.652 13.461 1.534 possible 160 72 A GLU CA 3 C4H1s 0.770 1.880 3.994 20.243 13.284 1.524 possible 161 72 A GLU C 1 C3H0s 0.770 1.610 2.537 7.919 8.631 0.917 [OK] 162 72 A GLU O 16 O1H0u 0.660 1.420 2.731 14.805 15.765 0.939 [OK] 163 72 A GLU CB 8 C4H2s 0.770 1.880 5.082 48.019 23.214 2.069 possible 164 72 A GLU CG 8 C4H2s 0.770 1.880 4.406 36.204 23.304 1.554 possible 165 72 A GLU CD 2 C3H0b 0.770 1.610 3.985 11.891 9.437 1.260 possible 166 72 A GLU OE1 16 O1H0u 0.660 1.420 43.375 -1.000 15.497 -1.000 bad 167 72 A GLU OE2 16 O1H0u 0.660 1.420 19.822 -1.000 16.213 -1.000 bad 174 73 A ILE N 12 N3H1s 0.700 1.640 5.058 23.116 13.493 1.713 possible 175 73 A ILE CA 3 C4H1s 0.770 1.880 3.351 14.111 12.946 1.090 possible 176 73 A ILE C 1 C3H0s 0.770 1.610 2.310 7.699 8.445 0.912 [OK] 177 73 A ILE O 16 O1H0u 0.660 1.420 2.620 12.846 15.930 0.806 [OK] 178 73 A ILE CB 4 C4H1b 0.770 1.880 9.185 -1.000 14.146 -1.000 bad 179 73 A ILE CG1 9 C4H2b 0.770 1.880 10.249 -1.000 24.071 -1.000 bad 180 73 A ILE CG2 10 C4H3u 0.770 1.880 29.899 -1.000 35.763 -1.000 bad 181 73 A ILE CD1 10 C4H3u 0.770 1.880 28.754 -1.000 38.219 -1.000 bad 193 74 A THR N 12 N3H1s 0.700 1.640 2.670 11.258 13.544 0.831 [OK] 194 74 A THR CA 3 C4H1s 0.770 1.880 3.801 17.210 13.025 1.321 possible 195 74 A THR C 1 C3H0s 0.770 1.610 3.488 8.723 8.685 1.004 possible 196 74 A THR O 16 O1H0u 0.660 1.420 2.977 14.242 15.795 0.902 [OK] 197 74 A THR CB 4 C4H1b 0.770 1.880 4.178 23.662 14.687 1.611 possible 198 74 A THR OG1 17 O2H1u 0.660 1.460 5.076 30.657 17.610 1.741 possible 199 74 A THR CG2 10 C4H3u 0.770 1.880 4.703 54.070 36.265 1.491 possible 207 75 A LEU N 12 N3H1s 0.700 1.640 3.855 15.140 13.517 1.120 possible 208 75 A LEU CA 3 C4H1s 0.770 1.880 4.748 17.408 13.055 1.333 possible 209 75 A LEU C 1 C3H0s 0.770 1.610 2.112 7.533 8.781 0.858 [OK] 210 75 A LEU O 16 O1H0u 0.660 1.420 2.269 11.994 15.957 0.752 [OK] 211 75 A LEU CB 8 C4H2s 0.770 1.880 4.883 36.849 22.818 1.615 possible 212 75 A LEU CG 4 C4H1b 0.770 1.880 15.065 -1.000 14.704 -1.000 bad 213 75 A LEU CD1 10 C4H3u 0.770 1.880 44.372 -1.000 37.235 -1.000 bad 214 75 A LEU CD2 10 C4H3u 0.770 1.880 16.841 -1.000 37.020 -1.000 bad 226 76 A ILE N 12 N3H1s 0.700 1.640 2.451 12.211 13.493 0.905 [OK] 227 76 A ILE CA 3 C4H1s 0.770 1.880 2.608 12.318 12.946 0.952 [OK] 228 76 A ILE C 1 C3H0s 0.770 1.610 2.728 7.437 8.445 0.881 [OK] 229 76 A ILE O 16 O1H0u 0.660 1.420 2.566 15.754 15.930 0.989 [OK] 230 76 A ILE CB 4 C4H1b 0.770 1.880 3.080 14.375 14.146 1.016 possible 231 76 A ILE CG1 9 C4H2b 0.770 1.880 3.240 19.257 24.071 0.800 possible 232 76 A ILE CG2 10 C4H3u 0.770 1.880 4.510 49.912 35.763 1.396 possible 233 76 A ILE CD1 10 C4H3u 0.770 1.880 4.235 45.956 38.219 1.202 possible 245 77 A ILE N 12 N3H1s 0.700 1.640 3.045 13.027 13.493 0.965 possible 246 77 A ILE CA 3 C4H1s 0.770 1.880 3.911 17.580 12.946 1.358 possible 247 77 A ILE C 1 C3H0s 0.770 1.610 2.548 7.339 8.445 0.869 [OK] 248 77 A ILE O 16 O1H0u 0.660 1.420 3.114 14.629 15.930 0.918 possible 249 77 A ILE CB 4 C4H1b 0.770 1.880 3.300 13.621 14.146 0.963 possible 250 77 A ILE CG1 9 C4H2b 0.770 1.880 4.741 41.958 24.071 1.743 possible 251 77 A ILE CG2 10 C4H3u 0.770 1.880 6.504 84.052 35.763 2.350 possible 252 77 A ILE CD1 10 C4H3u 0.770 1.880 35.850 -1.000 38.219 -1.000 bad 264 78 A PHE N 12 N3H1s 0.700 1.640 2.634 11.489 13.524 0.850 [OK] 265 78 A PHE CA 3 C4H1s 0.770 1.880 3.666 15.632 13.371 1.169 possible 266 78 A PHE C 1 C3H0s 0.770 1.610 3.909 8.724 8.697 1.003 possible 267 78 A PHE O 16 O1H0u 0.660 1.420 4.332 21.146 15.961 1.325 possible 268 78 A PHE CB 8 C4H2s 0.770 1.880 6.027 39.370 23.623 1.667 possible 269 78 A PHE CG 2 C3H0b 0.770 1.610 3.524 13.128 9.684 1.356 possible 270 78 A PHE CD1 5 C3H1s 0.770 1.760 3.582 20.795 20.325 1.023 possible 271 78 A PHE CD2 6 C3H1b 0.770 1.760 28.836 -1.000 20.948 -1.000 bad 272 78 A PHE CE1 6 C3H1b 0.770 1.760 6.225 68.311 21.532 3.173 possible 273 78 A PHE CE2 6 C3H1b 0.770 1.760 6.653 83.777 21.625 3.874 possible 274 78 A PHE CZ 6 C3H1b 0.770 1.760 6.102 67.941 21.555 3.152 possible 284 79 A GLY N 12 N3H1s 0.700 1.640 4.329 15.418 14.480 1.065 possible 285 79 A GLY CA 8 C4H2s 0.770 1.880 5.913 36.896 23.470 1.572 possible 286 79 A GLY C 2 C3H0b 0.770 1.610 2.337 7.281 9.652 0.754 [OK] 287 79 A GLY O 16 O1H0u 0.660 1.420 2.380 12.577 16.154 0.779 [OK] 291 80 A VAL N 12 N3H1s 0.700 1.640 2.691 12.534 13.553 0.925 [OK] 292 80 A VAL CA 3 C4H1s 0.770 1.880 2.666 11.717 13.078 0.896 [OK] 293 80 A VAL C 1 C3H0s 0.770 1.610 2.827 7.622 8.528 0.894 [OK] 294 80 A VAL O 16 O1H0u 0.660 1.420 2.688 15.189 15.998 0.949 [OK] 295 80 A VAL CB 4 C4H1b 0.770 1.880 4.077 17.292 14.514 1.191 possible 296 80 A VAL CG1 10 C4H3u 0.770 1.880 5.715 76.931 36.320 2.118 possible 297 80 A VAL CG2 10 C4H3u 0.770 1.880 4.585 46.099 36.173 1.274 possible 307 81 A MET N 12 N3H1s 0.700 1.640 3.120 13.094 13.405 0.977 possible 308 81 A MET CA 3 C4H1s 0.770 1.880 3.960 18.943 13.194 1.436 possible 309 81 A MET C 1 C3H0s 0.770 1.610 2.990 8.397 8.756 0.959 [OK] 310 81 A MET O 16 O1H0u 0.660 1.420 3.474 15.346 16.002 0.959 possible 311 81 A MET CB 8 C4H2s 0.770 1.880 5.672 43.286 23.418 1.848 possible 312 81 A MET CG 9 C4H2b 0.770 1.880 4.461 34.923 23.830 1.466 possible 313 81 A MET SD 19 S2H0u 1.040 1.770 28.175 -1.000 30.207 -1.000 bad 314 81 A MET CE 10 C4H3u 0.770 1.880 69.666 -1.000 37.003 -1.000 bad 324 82 A ALA N 12 N3H1s 0.700 1.640 4.952 15.768 13.872 1.137 possible 325 82 A ALA CA 4 C4H1b 0.770 1.880 5.507 23.050 13.959 1.651 possible 326 82 A ALA C 1 C3H0s 0.770 1.610 3.840 8.861 8.858 1.000 possible 327 82 A ALA O 16 O1H0u 0.660 1.420 6.219 34.330 16.026 2.142 possible 328 82 A ALA CB 10 C4H3u 0.770 1.880 45.736 -1.000 36.551 -1.000 bad 334 83 A GLY N 12 N3H1s 0.700 1.640 3.632 14.527 14.480 1.003 possible 335 83 A GLY CA 8 C4H2s 0.770 1.880 5.704 34.884 23.470 1.486 possible 336 83 A GLY C 2 C3H0b 0.770 1.610 2.301 8.242 9.652 0.854 [OK] 337 83 A GLY O 16 O1H0u 0.660 1.420 3.739 17.950 16.154 1.111 possible 341 84 A VAL N 12 N3H1s 0.700 1.640 2.455 13.111 13.553 0.967 [OK] 342 84 A VAL CA 3 C4H1s 0.770 1.880 2.738 13.255 13.078 1.014 [OK] 343 84 A VAL C 1 C3H0s 0.770 1.610 2.343 7.350 8.528 0.862 [OK] 344 84 A VAL O 16 O1H0u 0.660 1.420 2.190 13.629 15.998 0.852 [OK] 345 84 A VAL CB 4 C4H1b 0.770 1.880 3.915 16.182 14.514 1.115 possible 346 84 A VAL CG1 10 C4H3u 0.770 1.880 7.169 101.689 36.320 2.800 possible 347 84 A VAL CG2 10 C4H3u 0.770 1.880 7.909 81.988 36.173 2.267 possible 357 85 A ILE N 12 N3H1s 0.700 1.640 2.655 12.450 13.493 0.923 [OK] 358 85 A ILE CA 3 C4H1s 0.770 1.880 3.047 13.460 12.946 1.040 possible 359 85 A ILE C 1 C3H0s 0.770 1.610 2.731 7.594 8.445 0.899 [OK] 360 85 A ILE O 16 O1H0u 0.660 1.420 3.357 16.538 15.930 1.038 possible 361 85 A ILE CB 4 C4H1b 0.770 1.880 4.059 17.129 14.146 1.211 possible 362 85 A ILE CG1 9 C4H2b 0.770 1.880 11.113 -1.000 24.071 -1.000 bad 363 85 A ILE CG2 10 C4H3u 0.770 1.880 44.288 -1.000 35.763 -1.000 bad 364 85 A ILE CD1 10 C4H3u 0.770 1.880 47.206 -1.000 38.219 -1.000 bad 376 86 A GLY N 12 N3H1s 0.700 1.640 4.769 17.215 14.480 1.189 possible 377 86 A GLY CA 8 C4H2s 0.770 1.880 27.207 -1.000 23.470 -1.000 bad 378 86 A GLY C 2 C3H0b 0.770 1.610 6.672 17.311 9.652 1.793 possible 379 86 A GLY O 16 O1H0u 0.660 1.420 5.530 25.326 16.154 1.568 possible 383 87 A THR N 12 N3H1s 0.700 1.640 4.948 18.555 13.544 1.370 possible 384 87 A THR CA 3 C4H1s 0.770 1.880 4.819 20.068 13.025 1.541 possible 385 87 A THR C 1 C3H0s 0.770 1.610 2.276 7.473 8.685 0.861 [OK] 386 87 A THR O 16 O1H0u 0.660 1.420 2.844 14.060 15.795 0.890 [OK] 387 87 A THR CB 4 C4H1b 0.770 1.880 2.549 13.141 14.687 0.895 [OK] 388 87 A THR OG1 17 O2H1u 0.660 1.460 4.666 27.229 17.610 1.546 possible 389 87 A THR CG2 10 C4H3u 0.770 1.880 4.438 48.989 36.265 1.351 possible 397 88 A ILE N 12 N3H1s 0.700 1.640 2.483 12.484 13.493 0.925 [OK] 398 88 A ILE CA 3 C4H1s 0.770 1.880 3.060 13.684 12.946 1.057 possible 399 88 A ILE C 1 C3H0s 0.770 1.610 2.617 7.420 8.445 0.879 [OK] 400 88 A ILE O 16 O1H0u 0.660 1.420 3.108 15.033 15.930 0.944 possible 401 88 A ILE CB 4 C4H1b 0.770 1.880 3.257 14.450 14.146 1.022 possible 402 88 A ILE CG1 9 C4H2b 0.770 1.880 5.828 35.219 24.071 1.463 possible 403 88 A ILE CG2 10 C4H3u 0.770 1.880 38.937 -1.000 35.763 -1.000 bad 404 88 A ILE CD1 10 C4H3u 0.770 1.880 37.309 -1.000 38.219 -1.000 bad 416 89 A LEU N 12 N3H1s 0.700 1.640 3.870 14.626 13.517 1.082 possible 417 89 A LEU CA 3 C4H1s 0.770 1.880 5.810 25.568 13.055 1.958 possible 418 89 A LEU C 1 C3H0s 0.770 1.610 2.112 6.905 8.781 0.786 [OK] 419 89 A LEU O 16 O1H0u 0.660 1.420 3.119 15.281 15.957 0.958 possible 420 89 A LEU CB 8 C4H2s 0.770 1.880 13.396 -1.000 22.818 -1.000 bad 421 89 A LEU CG 4 C4H1b 0.770 1.880 3.717 15.403 14.704 1.048 possible 422 89 A LEU CD1 10 C4H3u 0.770 1.880 22.299 -1.000 37.235 -1.000 bad 423 89 A LEU CD2 10 C4H3u 0.770 1.880 54.176 -1.000 37.020 -1.000 bad 435 90 A LEU N 12 N3H1s 0.700 1.640 2.879 12.488 13.517 0.924 [OK] 436 90 A LEU CA 3 C4H1s 0.770 1.880 3.229 15.651 13.055 1.199 possible 437 90 A LEU C 1 C3H0s 0.770 1.610 3.053 7.882 8.781 0.898 possible 438 90 A LEU O 16 O1H0u 0.660 1.420 4.021 20.751 15.957 1.300 possible 439 90 A LEU CB 8 C4H2s 0.770 1.880 5.021 31.353 22.818 1.374 possible 440 90 A LEU CG 4 C4H1b 0.770 1.880 4.796 23.444 14.704 1.594 possible 441 90 A LEU CD1 10 C4H3u 0.770 1.880 53.591 -1.000 37.235 -1.000 bad 442 90 A LEU CD2 10 C4H3u 0.770 1.880 62.279 -1.000 37.020 -1.000 bad 454 91 A ILE N 12 N3H1s 0.700 1.640 3.203 13.302 13.493 0.986 possible 455 91 A ILE CA 3 C4H1s 0.770 1.880 6.061 25.985 12.946 2.007 possible 456 91 A ILE C 1 C3H0s 0.770 1.610 2.714 7.543 8.445 0.893 [OK] 457 91 A ILE O 16 O1H0u 0.660 1.420 3.953 17.947 15.930 1.127 possible 458 91 A ILE CB 4 C4H1b 0.770 1.880 3.508 14.541 14.146 1.028 possible 459 91 A ILE CG1 9 C4H2b 0.770 1.880 6.733 47.421 24.071 1.970 possible 460 91 A ILE CG2 10 C4H3u 0.770 1.880 38.894 -1.000 35.763 -1.000 bad 461 91 A ILE CD1 10 C4H3u 0.770 1.880 6.277 54.489 38.219 1.426 possible 473 92 A SER N 12 N3H1s 0.700 1.640 3.242 13.674 13.808 0.990 possible 474 92 A SER CA 3 C4H1s 0.770 1.880 4.363 18.802 13.351 1.408 possible 475 92 A SER C 1 C3H0s 0.770 1.610 3.225 8.538 8.858 0.964 possible 476 92 A SER O 16 O1H0u 0.660 1.420 2.892 13.645 15.860 0.860 [OK] 477 92 A SER CB 8 C4H2s 0.770 1.880 7.901 83.331 23.599 3.531 possible 478 92 A SER OG 17 O2H1u 0.660 1.460 22.092 -1.000 18.021 -1.000 bad 484 93 A TYR N 12 N3H1s 0.700 1.640 3.794 15.962 13.473 1.185 possible 485 93 A TYR CA 3 C4H1s 0.770 1.880 3.384 13.921 13.249 1.051 possible 486 93 A TYR C 1 C3H0s 0.770 1.610 3.534 8.820 8.714 1.012 possible 487 93 A TYR O 16 O1H0u 0.660 1.420 3.827 21.490 15.901 1.351 possible 488 93 A TYR CB 8 C4H2s 0.770 1.880 5.880 43.020 23.426 1.836 possible 489 93 A TYR CG 2 C3H0b 0.770 1.610 7.399 21.849 9.695 2.254 possible 490 93 A TYR CD1 5 C3H1s 0.770 1.760 7.718 53.931 20.057 2.689 possible 491 93 A TYR CD2 5 C3H1s 0.770 1.760 11.536 -1.000 20.578 -1.000 bad 492 93 A TYR CE1 5 C3H1s 0.770 1.760 17.753 -1.000 20.534 -1.000 bad 493 93 A TYR CE2 5 C3H1s 0.770 1.760 27.811 -1.000 20.577 -1.000 bad 494 93 A TYR CZ 2 C3H0b 0.770 1.610 3.448 -1.000 9.888 -1.000 bad 495 93 A TYR OH 17 O2H1u 0.660 1.460 47.554 -1.000 18.541 -1.000 bad 505 94 A GLY N 12 N3H1s 0.700 1.640 3.941 17.663 14.480 1.220 possible 506 94 A GLY CA 8 C4H2s 0.770 1.880 25.151 -1.000 23.470 -1.000 bad 507 94 A GLY C 2 C3H0b 0.770 1.610 4.753 12.633 9.652 1.309 possible 508 94 A GLY O 16 O1H0u 0.660 1.420 3.986 21.030 16.154 1.302 possible 512 95 A ILE N 12 N3H1s 0.700 1.640 4.582 16.374 13.493 1.213 possible 513 95 A ILE CA 3 C4H1s 0.770 1.880 3.088 13.507 12.946 1.043 possible 514 95 A ILE C 1 C3H0s 0.770 1.610 2.298 7.413 8.445 0.878 [OK] 515 95 A ILE O 16 O1H0u 0.660 1.420 2.817 14.447 15.930 0.907 [OK] 516 95 A ILE CB 4 C4H1b 0.770 1.880 4.390 16.787 14.146 1.187 possible 517 95 A ILE CG1 9 C4H2b 0.770 1.880 24.446 -1.000 24.071 -1.000 bad 518 95 A ILE CG2 10 C4H3u 0.770 1.880 22.106 -1.000 35.763 -1.000 bad 519 95 A ILE CD1 10 C4H3u 0.770 1.880 45.245 -1.000 38.219 -1.000 bad 531 96 A ARG N 12 N3H1s 0.700 1.640 2.346 10.978 13.486 0.814 [OK] 532 96 A ARG CA 3 C4H1s 0.770 1.880 2.751 12.579 13.310 0.945 [OK] 533 96 A ARG C 1 C3H0s 0.770 1.610 2.864 8.204 8.779 0.934 [OK] 534 96 A ARG O 16 O1H0u 0.660 1.420 2.555 13.654 15.916 0.858 [OK] 535 96 A ARG CB 8 C4H2s 0.770 1.880 4.385 27.260 22.833 1.194 possible 536 96 A ARG CG 8 C4H2s 0.770 1.880 5.058 33.642 23.273 1.446 possible 537 96 A ARG CD 8 C4H2s 0.770 1.880 25.069 -1.000 22.849 -1.000 bad 538 96 A ARG NE 13 N3H1b 0.700 1.640 4.039 22.313 15.019 1.486 possible 539 96 A ARG CZ 2 C3H0b 0.770 1.610 3.422 10.123 9.678 1.046 possible 540 96 A ARG NH1 15 N3H2u 0.700 1.640 23.920 -1.000 22.056 -1.000 bad 541 96 A ARG NH2 15 N3H2u 0.700 1.640 49.370 -1.000 23.132 -1.000 bad 555 97 A ARG N 12 N3H1s 0.700 1.640 4.412 16.597 13.486 1.231 possible 556 97 A ARG CA 3 C4H1s 0.770 1.880 5.559 25.422 13.310 1.910 possible 557 97 A ARG C 1 C3H0s 0.770 1.610 2.247 7.366 8.779 0.839 [OK] 558 97 A ARG O 16 O1H0u 0.660 1.420 6.162 51.271 15.916 3.221 possible 559 97 A ARG CB 8 C4H2s 0.770 1.880 5.427 36.399 22.833 1.594 possible 560 97 A ARG CG 8 C4H2s 0.770 1.880 22.018 -1.000 23.273 -1.000 bad 561 97 A ARG CD 8 C4H2s 0.770 1.880 25.996 -1.000 22.849 -1.000 bad 562 97 A ARG NE 13 N3H1b 0.700 1.640 19.700 -1.000 15.019 -1.000 bad 563 97 A ARG CZ 2 C3H0b 0.770 1.610 1.818 -1.000 9.678 -1.000 bad 564 97 A ARG NH1 15 N3H2u 0.700 1.640 45.954 -1.000 22.056 -1.000 bad 565 97 A ARG NH2 15 N3H2u 0.700 1.640 41.876 -1.000 23.132 -1.000 bad 579 98 A LEU N 12 N3H1s 0.700 1.640 3.038 13.771 13.517 1.019 possible 580 98 A LEU CA 3 C4H1s 0.770 1.880 4.823 18.316 13.055 1.403 possible 581 98 A LEU C 1 C3H0s 0.770 1.610 3.110 8.534 8.781 0.972 possible 582 98 A LEU O 16 O1H0u 0.660 1.420 21.274 -1.000 15.957 -1.000 bad 583 98 A LEU CB 8 C4H2s 0.770 1.880 4.517 28.227 22.818 1.237 possible 584 98 A LEU CG 4 C4H1b 0.770 1.880 8.856 -1.000 14.704 -1.000 bad 585 98 A LEU CD1 10 C4H3u 0.770 1.880 50.947 -1.000 37.235 -1.000 bad 586 98 A LEU CD2 10 C4H3u 0.770 1.880 57.453 -1.000 37.020 -1.000 bad 598 99 A ILE N 12 N3H1s 0.700 1.640 2.710 12.324 13.493 0.913 [OK] 599 99 A ILE CA 3 C4H1s 0.770 1.880 8.230 -1.000 12.946 -1.000 bad 600 99 A ILE C 1 C3H0s 0.770 1.610 3.137 9.371 8.445 1.110 possible 601 99 A ILE O 16 O1H0u 0.660 1.420 4.128 25.935 15.930 1.628 possible 602 99 A ILE CB 4 C4H1b 0.770 1.880 6.797 -1.000 14.146 -1.000 bad 603 99 A ILE CG1 9 C4H2b 0.770 1.880 3.214 17.200 24.071 0.715 possible 604 99 A ILE CG2 10 C4H3u 0.770 1.880 51.371 -1.000 35.763 -1.000 bad 605 99 A ILE CD1 10 C4H3u 0.770 1.880 36.926 -1.000 38.219 -1.000 bad 617 100 A LYS N 12 N3H1s 0.700 1.640 5.249 22.921 13.429 1.707 possible 618 100 A LYS CA 3 C4H1s 0.770 1.880 5.804 25.444 13.217 1.925 possible 619 100 A LYS C 1 C3H0s 0.770 1.610 3.124 9.136 8.696 1.051 possible 620 100 A LYS O 16 O1H0u 0.660 1.420 11.081 -1.000 15.818 -1.000 bad 621 100 A LYS CB 8 C4H2s 0.770 1.880 7.040 40.867 22.578 1.810 possible 622 100 A LYS CG 8 C4H2s 0.770 1.880 24.538 -1.000 22.847 -1.000 bad 623 100 A LYS CD 8 C4H2s 0.770 1.880 6.764 41.047 23.365 1.757 possible 624 100 A LYS CE 9 C4H2b 0.770 1.880 22.565 -1.000 23.720 -1.000 bad 625 100 A LYS NZ 14 N4H3u 0.700 1.640 35.098 -1.000 21.413 -1.000 bad 639 101 A LYS N 12 N3H1s 0.700 1.640 7.071 -1.000 13.429 -1.000 bad 640 101 A LYS CA 3 C4H1s 0.770 1.880 15.592 -1.000 13.217 -1.000 bad 641 101 A LYS C 1 C3H0s 0.770 1.610 5.037 -1.000 8.696 -1.000 bad 642 101 A LYS O 16 O1H0u 0.660 1.420 32.712 -1.000 15.818 -1.000 bad 643 101 A LYS CB 8 C4H2s 0.770 1.880 7.394 54.680 22.578 2.422 possible 644 101 A LYS CG 8 C4H2s 0.770 1.880 18.537 -1.000 22.847 -1.000 bad 645 101 A LYS CD 8 C4H2s 0.770 1.880 31.784 -1.000 23.365 -1.000 bad 646 101 A LYS CE 9 C4H2b 0.770 1.880 43.942 -1.000 23.720 -1.000 bad 647 101 A LYS NZ 14 N4H3u 0.700 1.640 49.521 -1.000 21.413 -1.000 bad 648 101 A LYS OXT 16 O1H0u 0.660 1.420 32.420 -1.000 1.420 -1.000 bad 663 62 B VAL N 12 N3H1s 0.700 1.640 7.311 131.264 13.553 9.685 possible 664 62 B VAL CA 3 C4H1s 0.770 1.880 4.269 26.241 13.078 2.007 possible 665 62 B VAL C 1 C3H0s 0.770 1.610 2.956 10.013 8.528 1.174 [OK] 666 62 B VAL O 16 O1H0u 0.660 1.420 6.022 -1.000 15.998 -1.000 bad 667 62 B VAL CB 4 C4H1b 0.770 1.880 7.944 47.906 14.514 3.301 possible 668 62 B VAL CG1 10 C4H3u 0.770 1.880 53.201 -1.000 36.320 -1.000 bad 669 62 B VAL CG2 10 C4H3u 0.770 1.880 44.905 -1.000 36.173 -1.000 bad 681 63 B GLN N 12 N3H1s 0.700 1.640 4.446 27.224 13.449 2.024 possible 682 63 B GLN CA 3 C4H1s 0.770 1.880 3.690 13.762 13.231 1.040 possible 683 63 B GLN C 1 C3H0s 0.770 1.610 3.092 8.858 8.744 1.013 possible 684 63 B GLN O 16 O1H0u 0.660 1.420 4.089 42.615 15.767 2.703 possible 685 63 B GLN CB 8 C4H2s 0.770 1.880 4.832 53.225 23.059 2.308 possible 686 63 B GLN CG 8 C4H2s 0.770 1.880 7.865 88.655 23.218 3.818 possible 687 63 B GLN CD 2 C3H0b 0.770 1.610 2.099 -1.000 9.618 -1.000 bad 688 63 B GLN OE1 16 O1H0u 0.660 1.420 31.730 -1.000 16.571 -1.000 bad 689 63 B GLN NE2 15 N3H2u 0.700 1.640 41.450 -1.000 23.255 -1.000 bad 698 64 B LEU N 12 N3H1s 0.700 1.640 5.787 27.216 13.517 2.014 possible 699 64 B LEU CA 3 C4H1s 0.770 1.880 3.966 15.991 13.055 1.225 possible 700 64 B LEU C 1 C3H0s 0.770 1.610 4.928 11.364 8.781 1.294 possible 701 64 B LEU O 16 O1H0u 0.660 1.420 22.185 -1.000 15.957 -1.000 bad 702 64 B LEU CB 8 C4H2s 0.770 1.880 19.208 -1.000 22.818 -1.000 bad 703 64 B LEU CG 4 C4H1b 0.770 1.880 4.841 21.717 14.704 1.477 possible 704 64 B LEU CD1 10 C4H3u 0.770 1.880 4.293 66.996 37.235 1.799 possible 705 64 B LEU CD2 10 C4H3u 0.770 1.880 60.643 -1.000 37.020 -1.000 bad 717 65 B ALA N 12 N3H1s 0.700 1.640 5.530 24.340 13.872 1.755 possible 718 65 B ALA CA 4 C4H1b 0.770 1.880 12.289 -1.000 13.959 -1.000 bad 719 65 B ALA C 1 C3H0s 0.770 1.610 2.768 9.337 8.858 1.054 [OK] 720 65 B ALA O 16 O1H0u 0.660 1.420 17.601 -1.000 16.026 -1.000 bad 721 65 B ALA CB 10 C4H3u 0.770 1.880 52.345 -1.000 36.551 -1.000 bad 727 66 B HIS N 12 N3H1s 0.700 1.640 3.848 25.753 13.532 1.903 possible 728 66 B HIS CA 3 C4H1s 0.770 1.880 4.341 21.882 13.335 1.641 possible 729 66 B HIS C 1 C3H0s 0.770 1.610 3.075 9.655 8.760 1.102 possible 730 66 B HIS O 16 O1H0u 0.660 1.420 4.655 24.356 15.855 1.536 possible 731 66 B HIS CB 8 C4H2s 0.770 1.880 18.085 -1.000 23.443 -1.000 bad 732 66 B HIS CG 2 C3H0b 0.770 1.610 0.722 -1.000 9.870 -1.000 bad 733 66 B HIS ND1 13 N3H1b 0.700 1.640 18.688 -1.000 15.483 -1.000 bad 734 66 B HIS CD2 5 C3H1s 0.770 1.760 24.693 -1.000 20.938 -1.000 bad 735 66 B HIS CE1 5 C3H1s 0.770 1.760 24.802 -1.000 20.491 -1.000 bad 736 66 B HIS NE2 13 N3H1b 0.700 1.640 15.681 -1.000 15.758 -1.000 bad 744 67 B HIS N 12 N3H1s 0.700 1.640 3.818 26.861 13.532 1.985 possible 745 67 B HIS CA 3 C4H1s 0.770 1.880 3.925 18.833 13.335 1.412 possible 746 67 B HIS C 1 C3H0s 0.770 1.610 3.440 11.821 8.760 1.349 possible 747 67 B HIS O 16 O1H0u 0.660 1.420 15.541 -1.000 15.855 -1.000 bad 748 67 B HIS CB 8 C4H2s 0.770 1.880 7.766 62.936 23.443 2.685 possible 749 67 B HIS CG 2 C3H0b 0.770 1.610 0.775 -1.000 9.870 -1.000 bad 750 67 B HIS ND1 13 N3H1b 0.700 1.640 12.299 -1.000 15.483 -1.000 bad 751 67 B HIS CD2 5 C3H1s 0.770 1.760 30.713 -1.000 20.938 -1.000 bad 752 67 B HIS CE1 5 C3H1s 0.770 1.760 43.312 -1.000 20.491 -1.000 bad 753 67 B HIS NE2 13 N3H1b 0.700 1.640 32.417 -1.000 15.758 -1.000 bad 761 68 B PHE N 12 N3H1s 0.700 1.640 3.478 22.738 13.524 1.681 possible 762 68 B PHE CA 3 C4H1s 0.770 1.880 5.203 18.836 13.371 1.409 possible 763 68 B PHE C 1 C3H0s 0.770 1.610 3.585 11.450 8.697 1.317 possible 764 68 B PHE O 16 O1H0u 0.660 1.420 20.393 -1.000 15.961 -1.000 bad 765 68 B PHE CB 8 C4H2s 0.770 1.880 4.892 44.552 23.623 1.886 possible 766 68 B PHE CG 2 C3H0b 0.770 1.610 4.536 14.622 9.684 1.510 possible 767 68 B PHE CD1 5 C3H1s 0.770 1.760 3.679 27.435 20.325 1.350 possible 768 68 B PHE CD2 6 C3H1b 0.770 1.760 7.352 57.556 20.948 2.748 possible 769 68 B PHE CE1 6 C3H1b 0.770 1.760 24.177 -1.000 21.532 -1.000 bad 770 68 B PHE CE2 6 C3H1b 0.770 1.760 34.778 -1.000 21.625 -1.000 bad 771 68 B PHE CZ 6 C3H1b 0.770 1.760 36.304 -1.000 21.555 -1.000 bad 781 69 B SER N 12 N3H1s 0.700 1.640 3.304 18.815 13.808 1.363 possible 782 69 B SER CA 3 C4H1s 0.770 1.880 4.540 18.833 13.351 1.411 possible 783 69 B SER C 1 C3H0s 0.770 1.610 3.110 9.579 8.858 1.081 possible 784 69 B SER O 16 O1H0u 0.660 1.420 3.113 22.908 15.860 1.444 possible 785 69 B SER CB 8 C4H2s 0.770 1.880 2.981 17.785 23.599 0.754 [OK] 786 69 B SER OG 17 O2H1u 0.660 1.460 4.624 29.952 18.021 1.662 possible 792 70 B GLU N 12 N3H1s 0.700 1.640 3.707 17.291 13.461 1.285 possible 793 70 B GLU CA 3 C4H1s 0.770 1.880 3.367 16.420 13.284 1.236 possible 794 70 B GLU C 1 C3H0s 0.770 1.610 4.446 9.410 8.631 1.090 possible 795 70 B GLU O 16 O1H0u 0.660 1.420 20.717 -1.000 15.765 -1.000 bad 796 70 B GLU CB 8 C4H2s 0.770 1.880 16.069 -1.000 23.214 -1.000 bad 797 70 B GLU CG 8 C4H2s 0.770 1.880 35.414 -1.000 23.304 -1.000 bad 798 70 B GLU CD 2 C3H0b 0.770 1.610 3.332 -1.000 9.437 -1.000 bad 799 70 B GLU OE1 16 O1H0u 0.660 1.420 35.340 -1.000 15.497 -1.000 bad 800 70 B GLU OE2 16 O1H0u 0.660 1.420 19.720 -1.000 16.213 -1.000 bad 807 71 B PRO N 11 N3H0u 0.700 1.640 4.945 11.254 8.650 1.301 possible 808 71 B PRO CA 4 C4H1b 0.770 1.880 12.303 -1.000 13.828 -1.000 bad 809 71 B PRO C 1 C3H0s 0.770 1.610 2.695 8.571 8.768 0.978 [OK] 810 71 B PRO O 16 O1H0u 0.660 1.420 3.171 14.922 15.856 0.941 possible 811 71 B PRO CB 9 C4H2b 0.770 1.880 21.088 -1.000 25.314 -1.000 bad 812 71 B PRO CG 9 C4H2b 0.770 1.880 24.664 -1.000 25.480 -1.000 bad 813 71 B PRO CD 8 C4H2s 0.770 1.880 6.955 49.083 23.390 2.098 possible 821 72 B GLU N 12 N3H1s 0.700 1.640 3.633 20.619 13.461 1.532 possible 822 72 B GLU CA 3 C4H1s 0.770 1.880 3.977 19.377 13.284 1.459 possible 823 72 B GLU C 1 C3H0s 0.770 1.610 2.245 8.108 8.631 0.939 [OK] 824 72 B GLU O 16 O1H0u 0.660 1.420 2.438 12.098 15.765 0.767 [OK] 825 72 B GLU CB 8 C4H2s 0.770 1.880 5.639 40.147 23.214 1.729 possible 826 72 B GLU CG 8 C4H2s 0.770 1.880 5.093 39.573 23.304 1.698 possible 827 72 B GLU CD 2 C3H0b 0.770 1.610 5.950 17.406 9.437 1.844 possible 828 72 B GLU OE1 16 O1H0u 0.660 1.420 37.033 -1.000 15.497 -1.000 bad 829 72 B GLU OE2 16 O1H0u 0.660 1.420 40.646 -1.000 16.213 -1.000 bad 836 73 B ILE N 12 N3H1s 0.700 1.640 4.283 23.086 13.493 1.711 possible 837 73 B ILE CA 3 C4H1s 0.770 1.880 3.535 16.801 12.946 1.298 possible 838 73 B ILE C 1 C3H0s 0.770 1.610 2.793 7.434 8.445 0.880 [OK] 839 73 B ILE O 16 O1H0u 0.660 1.420 3.004 15.372 15.930 0.965 possible 840 73 B ILE CB 4 C4H1b 0.770 1.880 6.612 27.626 14.146 1.953 possible 841 73 B ILE CG1 9 C4H2b 0.770 1.880 13.276 -1.000 24.071 -1.000 bad 842 73 B ILE CG2 10 C4H3u 0.770 1.880 34.510 -1.000 35.763 -1.000 bad 843 73 B ILE CD1 10 C4H3u 0.770 1.880 72.296 -1.000 38.219 -1.000 bad 855 74 B THR N 12 N3H1s 0.700 1.640 2.859 11.927 13.544 0.881 [OK] 856 74 B THR CA 3 C4H1s 0.770 1.880 3.733 15.897 13.025 1.221 possible 857 74 B THR C 1 C3H0s 0.770 1.610 2.115 7.559 8.685 0.870 [OK] 858 74 B THR O 16 O1H0u 0.660 1.420 2.529 12.466 15.795 0.789 [OK] 859 74 B THR CB 4 C4H1b 0.770 1.880 3.895 17.911 14.687 1.220 possible 860 74 B THR OG1 17 O2H1u 0.660 1.460 2.376 12.149 17.610 0.690 [OK] 861 74 B THR CG2 10 C4H3u 0.770 1.880 43.426 -1.000 36.265 -1.000 bad 869 75 B LEU N 12 N3H1s 0.700 1.640 2.197 10.732 13.517 0.794 [OK] 870 75 B LEU CA 3 C4H1s 0.770 1.880 2.619 10.799 13.055 0.827 [OK] 871 75 B LEU C 1 C3H0s 0.770 1.610 2.120 7.941 8.781 0.904 [OK] 872 75 B LEU O 16 O1H0u 0.660 1.420 2.330 12.465 15.957 0.781 [OK] 873 75 B LEU CB 8 C4H2s 0.770 1.880 3.691 23.167 22.818 1.015 possible 874 75 B LEU CG 4 C4H1b 0.770 1.880 3.804 17.060 14.704 1.160 possible 875 75 B LEU CD1 10 C4H3u 0.770 1.880 4.301 59.812 37.235 1.606 possible 876 75 B LEU CD2 10 C4H3u 0.770 1.880 4.832 64.654 37.020 1.746 possible 888 76 B ILE N 12 N3H1s 0.700 1.640 2.494 12.062 13.493 0.894 [OK] 889 76 B ILE CA 3 C4H1s 0.770 1.880 2.704 12.503 12.946 0.966 [OK] 890 76 B ILE C 1 C3H0s 0.770 1.610 2.844 7.627 8.445 0.903 [OK] 891 76 B ILE O 16 O1H0u 0.660 1.420 2.702 16.019 15.930 1.006 [OK] 892 76 B ILE CB 4 C4H1b 0.770 1.880 3.596 15.624 14.146 1.105 possible 893 76 B ILE CG1 9 C4H2b 0.770 1.880 3.240 20.729 24.071 0.861 possible 894 76 B ILE CG2 10 C4H3u 0.770 1.880 7.660 66.457 35.763 1.858 possible 895 76 B ILE CD1 10 C4H3u 0.770 1.880 4.983 51.477 38.219 1.347 possible 907 77 B ILE N 12 N3H1s 0.700 1.640 3.983 16.102 13.493 1.193 possible 908 77 B ILE CA 3 C4H1s 0.770 1.880 4.524 20.073 12.946 1.551 possible 909 77 B ILE C 1 C3H0s 0.770 1.610 2.403 7.681 8.445 0.910 [OK] 910 77 B ILE O 16 O1H0u 0.660 1.420 3.054 15.107 15.930 0.948 possible 911 77 B ILE CB 4 C4H1b 0.770 1.880 4.052 15.495 14.146 1.095 possible 912 77 B ILE CG1 9 C4H2b 0.770 1.880 6.518 45.682 24.071 1.898 possible 913 77 B ILE CG2 10 C4H3u 0.770 1.880 7.070 54.472 35.763 1.523 possible 914 77 B ILE CD1 10 C4H3u 0.770 1.880 65.453 -1.000 38.219 -1.000 bad 926 78 B PHE N 12 N3H1s 0.700 1.640 2.375 11.358 13.524 0.840 [OK] 927 78 B PHE CA 3 C4H1s 0.770 1.880 2.731 12.331 13.371 0.922 [OK] 928 78 B PHE C 1 C3H0s 0.770 1.610 3.684 8.660 8.697 0.996 possible 929 78 B PHE O 16 O1H0u 0.660 1.420 3.430 18.429 15.961 1.155 possible 930 78 B PHE CB 8 C4H2s 0.770 1.880 4.810 30.643 23.623 1.297 possible 931 78 B PHE CG 2 C3H0b 0.770 1.610 2.681 9.037 9.684 0.933 [OK] 932 78 B PHE CD1 5 C3H1s 0.770 1.760 2.962 17.871 20.325 0.879 [OK] 933 78 B PHE CD2 6 C3H1b 0.770 1.760 4.916 48.433 20.948 2.312 possible 934 78 B PHE CE1 6 C3H1b 0.770 1.760 21.972 -1.000 21.532 -1.000 bad 935 78 B PHE CE2 6 C3H1b 0.770 1.760 21.036 -1.000 21.625 -1.000 bad 936 78 B PHE CZ 6 C3H1b 0.770 1.760 32.011 -1.000 21.555 -1.000 bad 946 79 B GLY N 12 N3H1s 0.700 1.640 3.901 14.691 14.480 1.015 possible 947 79 B GLY CA 8 C4H2s 0.770 1.880 4.602 32.778 23.470 1.397 possible 948 79 B GLY C 2 C3H0b 0.770 1.610 2.312 7.279 9.652 0.754 [OK] 949 79 B GLY O 16 O1H0u 0.660 1.420 2.300 11.700 16.154 0.724 [OK] 953 80 B VAL N 12 N3H1s 0.700 1.640 2.697 12.639 13.553 0.933 [OK] 954 80 B VAL CA 3 C4H1s 0.770 1.880 2.716 11.772 13.078 0.900 [OK] 955 80 B VAL C 1 C3H0s 0.770 1.610 2.791 7.538 8.528 0.884 [OK] 956 80 B VAL O 16 O1H0u 0.660 1.420 2.717 15.265 15.998 0.954 [OK] 957 80 B VAL CB 4 C4H1b 0.770 1.880 3.835 17.146 14.514 1.181 possible 958 80 B VAL CG1 10 C4H3u 0.770 1.880 29.000 -1.000 36.320 -1.000 bad 959 80 B VAL CG2 10 C4H3u 0.770 1.880 11.250 -1.000 36.173 -1.000 bad 969 81 B MET N 12 N3H1s 0.700 1.640 3.130 13.195 13.405 0.984 possible 970 81 B MET CA 3 C4H1s 0.770 1.880 4.682 22.045 13.194 1.671 possible 971 81 B MET C 1 C3H0s 0.770 1.610 2.477 8.037 8.756 0.918 [OK] 972 81 B MET O 16 O1H0u 0.660 1.420 4.166 17.497 16.002 1.093 possible 973 81 B MET CB 8 C4H2s 0.770 1.880 5.603 37.220 23.418 1.589 possible 974 81 B MET CG 9 C4H2b 0.770 1.880 14.750 -1.000 23.830 -1.000 bad 975 81 B MET SD 19 S2H0u 1.040 1.770 36.141 -1.000 30.207 -1.000 bad 976 81 B MET CE 10 C4H3u 0.770 1.880 19.845 -1.000 37.003 -1.000 bad 986 82 B ALA N 12 N3H1s 0.700 1.640 3.749 14.111 13.872 1.017 possible 987 82 B ALA CA 4 C4H1b 0.770 1.880 3.780 16.938 13.959 1.213 possible 988 82 B ALA C 1 C3H0s 0.770 1.610 3.528 8.732 8.858 0.986 possible 989 82 B ALA O 16 O1H0u 0.660 1.420 3.790 25.163 16.026 1.570 possible 990 82 B ALA CB 10 C4H3u 0.770 1.880 6.582 107.494 36.551 2.941 possible 996 83 B GLY N 12 N3H1s 0.700 1.640 3.160 13.216 14.480 0.913 possible 997 83 B GLY CA 8 C4H2s 0.770 1.880 4.698 28.486 23.470 1.214 possible 998 83 B GLY C 2 C3H0b 0.770 1.610 2.362 8.236 9.652 0.853 [OK] 999 83 B GLY O 16 O1H0u 0.660 1.420 3.299 15.246 16.154 0.944 possible 1003 84 B VAL N 12 N3H1s 0.700 1.640 2.477 13.163 13.553 0.971 [OK] 1004 84 B VAL CA 3 C4H1s 0.770 1.880 2.739 14.004 13.078 1.071 [OK] 1005 84 B VAL C 1 C3H0s 0.770 1.610 2.432 7.558 8.528 0.886 [OK] 1006 84 B VAL O 16 O1H0u 0.660 1.420 2.383 14.816 15.998 0.926 [OK] 1007 84 B VAL CB 4 C4H1b 0.770 1.880 4.565 18.670 14.514 1.286 possible 1008 84 B VAL CG1 10 C4H3u 0.770 1.880 28.752 -1.000 36.320 -1.000 bad 1009 84 B VAL CG2 10 C4H3u 0.770 1.880 16.906 -1.000 36.173 -1.000 bad 1019 85 B ILE N 12 N3H1s 0.700 1.640 2.927 13.327 13.493 0.988 [OK] 1020 85 B ILE CA 3 C4H1s 0.770 1.880 3.244 14.869 12.946 1.149 possible 1021 85 B ILE C 1 C3H0s 0.770 1.610 2.571 7.421 8.445 0.879 [OK] 1022 85 B ILE O 16 O1H0u 0.660 1.420 3.424 16.995 15.930 1.067 possible 1023 85 B ILE CB 4 C4H1b 0.770 1.880 3.543 13.999 14.146 0.990 possible 1024 85 B ILE CG1 9 C4H2b 0.770 1.880 19.312 -1.000 24.071 -1.000 bad 1025 85 B ILE CG2 10 C4H3u 0.770 1.880 46.678 -1.000 35.763 -1.000 bad 1026 85 B ILE CD1 10 C4H3u 0.770 1.880 43.662 -1.000 38.219 -1.000 bad 1038 86 B GLY N 12 N3H1s 0.700 1.640 4.146 15.850 14.480 1.095 possible 1039 86 B GLY CA 8 C4H2s 0.770 1.880 6.535 72.641 23.470 3.095 possible 1040 86 B GLY C 2 C3H0b 0.770 1.610 5.702 15.025 9.652 1.557 possible 1041 86 B GLY O 16 O1H0u 0.660 1.420 5.378 22.655 16.154 1.402 possible 1045 87 B THR N 12 N3H1s 0.700 1.640 4.460 16.953 13.544 1.252 possible 1046 87 B THR CA 3 C4H1s 0.770 1.880 4.382 19.101 13.025 1.466 possible 1047 87 B THR C 1 C3H0s 0.770 1.610 2.450 7.700 8.685 0.887 [OK] 1048 87 B THR O 16 O1H0u 0.660 1.420 2.985 14.446 15.795 0.915 [OK] 1049 87 B THR CB 4 C4H1b 0.770 1.880 2.644 13.354 14.687 0.909 [OK] 1050 87 B THR OG1 17 O2H1u 0.660 1.460 3.966 20.160 17.610 1.145 possible 1051 87 B THR CG2 10 C4H3u 0.770 1.880 4.479 48.187 36.265 1.329 possible 1059 88 B ILE N 12 N3H1s 0.700 1.640 2.579 13.167 13.493 0.976 [OK] 1060 88 B ILE CA 3 C4H1s 0.770 1.880 3.186 14.319 12.946 1.106 possible 1061 88 B ILE C 1 C3H0s 0.770 1.610 2.542 7.296 8.445 0.864 [OK] 1062 88 B ILE O 16 O1H0u 0.660 1.420 3.488 15.543 15.930 0.976 possible 1063 88 B ILE CB 4 C4H1b 0.770 1.880 3.358 14.046 14.146 0.993 possible 1064 88 B ILE CG1 9 C4H2b 0.770 1.880 6.858 51.701 24.071 2.148 possible 1065 88 B ILE CG2 10 C4H3u 0.770 1.880 44.534 -1.000 35.763 -1.000 bad 1066 88 B ILE CD1 10 C4H3u 0.770 1.880 39.233 -1.000 38.219 -1.000 bad 1078 89 B LEU N 12 N3H1s 0.700 1.640 3.734 14.449 13.517 1.069 possible 1079 89 B LEU CA 3 C4H1s 0.770 1.880 5.709 22.786 13.055 1.745 possible 1080 89 B LEU C 1 C3H0s 0.770 1.610 2.095 6.947 8.781 0.791 [OK] 1081 89 B LEU O 16 O1H0u 0.660 1.420 2.899 14.585 15.957 0.914 [OK] 1082 89 B LEU CB 8 C4H2s 0.770 1.880 13.620 -1.000 22.818 -1.000 bad 1083 89 B LEU CG 4 C4H1b 0.770 1.880 3.687 15.101 14.704 1.027 possible 1084 89 B LEU CD1 10 C4H3u 0.770 1.880 24.497 -1.000 37.235 -1.000 bad 1085 89 B LEU CD2 10 C4H3u 0.770 1.880 53.725 -1.000 37.020 -1.000 bad 1097 90 B LEU N 12 N3H1s 0.700 1.640 2.820 12.171 13.517 0.900 [OK] 1098 90 B LEU CA 3 C4H1s 0.770 1.880 3.146 14.196 13.055 1.087 possible 1099 90 B LEU C 1 C3H0s 0.770 1.610 3.005 7.867 8.781 0.896 possible 1100 90 B LEU O 16 O1H0u 0.660 1.420 4.095 18.287 15.957 1.146 possible 1101 90 B LEU CB 8 C4H2s 0.770 1.880 4.938 31.544 22.818 1.382 possible 1102 90 B LEU CG 4 C4H1b 0.770 1.880 5.584 29.490 14.704 2.006 possible 1103 90 B LEU CD1 10 C4H3u 0.770 1.880 46.274 -1.000 37.235 -1.000 bad 1104 90 B LEU CD2 10 C4H3u 0.770 1.880 63.110 -1.000 37.020 -1.000 bad 1116 91 B ILE N 12 N3H1s 0.700 1.640 3.357 13.647 13.493 1.011 possible 1117 91 B ILE CA 3 C4H1s 0.770 1.880 5.924 26.014 12.946 2.009 possible 1118 91 B ILE C 1 C3H0s 0.770 1.610 2.274 7.312 8.445 0.866 [OK] 1119 91 B ILE O 16 O1H0u 0.660 1.420 3.958 13.911 15.930 0.873 possible 1120 91 B ILE CB 4 C4H1b 0.770 1.880 3.604 14.834 14.146 1.049 possible 1121 91 B ILE CG1 9 C4H2b 0.770 1.880 6.754 52.345 24.071 2.175 possible 1122 91 B ILE CG2 10 C4H3u 0.770 1.880 32.370 -1.000 35.763 -1.000 bad 1123 91 B ILE CD1 10 C4H3u 0.770 1.880 6.852 66.254 38.219 1.734 possible 1135 92 B SER N 12 N3H1s 0.700 1.640 3.823 14.276 13.808 1.034 possible 1136 92 B SER CA 3 C4H1s 0.770 1.880 5.312 24.592 13.351 1.842 possible 1137 92 B SER C 1 C3H0s 0.770 1.610 3.777 8.751 8.858 0.988 possible 1138 92 B SER O 16 O1H0u 0.660 1.420 5.128 24.371 15.860 1.537 possible 1139 92 B SER CB 8 C4H2s 0.770 1.880 40.188 -1.000 23.599 -1.000 bad 1140 92 B SER OG 17 O2H1u 0.660 1.460 8.527 -1.000 18.021 -1.000 bad 1146 93 B TYR N 12 N3H1s 0.700 1.640 3.328 13.891 13.473 1.031 possible 1147 93 B TYR CA 3 C4H1s 0.770 1.880 3.668 15.566 13.249 1.175 possible 1148 93 B TYR C 1 C3H0s 0.770 1.610 3.900 8.844 8.714 1.015 possible 1149 93 B TYR O 16 O1H0u 0.660 1.420 3.575 17.978 15.901 1.131 possible 1150 93 B TYR CB 8 C4H2s 0.770 1.880 4.601 29.200 23.426 1.246 possible 1151 93 B TYR CG 2 C3H0b 0.770 1.610 3.758 12.608 9.695 1.300 possible 1152 93 B TYR CD1 5 C3H1s 0.770 1.760 4.971 33.192 20.057 1.655 possible 1153 93 B TYR CD2 5 C3H1s 0.770 1.760 18.576 -1.000 20.578 -1.000 bad 1154 93 B TYR CE1 5 C3H1s 0.770 1.760 27.601 -1.000 20.534 -1.000 bad 1155 93 B TYR CE2 5 C3H1s 0.770 1.760 23.338 -1.000 20.577 -1.000 bad 1156 93 B TYR CZ 2 C3H0b 0.770 1.610 5.879 18.168 9.888 1.837 possible 1157 93 B TYR OH 17 O2H1u 0.660 1.460 47.023 -1.000 18.541 -1.000 bad 1167 94 B GLY N 12 N3H1s 0.700 1.640 4.279 16.569 14.480 1.144 possible 1168 94 B GLY CA 8 C4H2s 0.770 1.880 33.220 -1.000 23.470 -1.000 bad 1169 94 B GLY C 2 C3H0b 0.770 1.610 4.376 11.696 9.652 1.212 possible 1170 94 B GLY O 16 O1H0u 0.660 1.420 4.822 21.147 16.154 1.309 possible 1174 95 B ILE N 12 N3H1s 0.700 1.640 4.161 15.021 13.493 1.113 possible 1175 95 B ILE CA 3 C4H1s 0.770 1.880 3.513 15.530 12.946 1.200 possible 1176 95 B ILE C 1 C3H0s 0.770 1.610 2.417 7.157 8.445 0.848 [OK] 1177 95 B ILE O 16 O1H0u 0.660 1.420 3.196 15.986 15.930 1.003 possible 1178 95 B ILE CB 4 C4H1b 0.770 1.880 3.835 14.667 14.146 1.037 possible 1179 95 B ILE CG1 9 C4H2b 0.770 1.880 26.932 -1.000 24.071 -1.000 bad 1180 95 B ILE CG2 10 C4H3u 0.770 1.880 6.796 82.883 35.763 2.318 possible 1181 95 B ILE CD1 10 C4H3u 0.770 1.880 21.728 -1.000 38.219 -1.000 bad 1193 96 B ARG N 12 N3H1s 0.700 1.640 3.590 13.935 13.486 1.033 possible 1194 96 B ARG CA 3 C4H1s 0.770 1.880 4.612 22.013 13.310 1.654 possible 1195 96 B ARG C 1 C3H0s 0.770 1.610 2.308 7.472 8.779 0.851 [OK] 1196 96 B ARG O 16 O1H0u 0.660 1.420 4.324 23.125 15.916 1.453 possible 1197 96 B ARG CB 8 C4H2s 0.770 1.880 5.954 38.796 22.833 1.699 possible 1198 96 B ARG CG 8 C4H2s 0.770 1.880 34.814 -1.000 23.273 -1.000 bad 1199 96 B ARG CD 8 C4H2s 0.770 1.880 24.505 -1.000 22.849 -1.000 bad 1200 96 B ARG NE 13 N3H1b 0.700 1.640 6.994 -1.000 15.019 -1.000 bad 1201 96 B ARG CZ 2 C3H0b 0.770 1.610 3.396 11.407 9.678 1.179 possible 1202 96 B ARG NH1 15 N3H2u 0.700 1.640 51.053 -1.000 22.056 -1.000 bad 1203 96 B ARG NH2 15 N3H2u 0.700 1.640 13.513 -1.000 23.132 -1.000 bad 1217 97 B ARG N 12 N3H1s 0.700 1.640 2.521 13.325 13.486 0.988 [OK] 1218 97 B ARG CA 3 C4H1s 0.770 1.880 5.227 23.432 13.310 1.761 possible 1219 97 B ARG C 1 C3H0s 0.770 1.610 3.063 7.751 8.779 0.883 possible 1220 97 B ARG O 16 O1H0u 0.660 1.420 5.511 34.668 15.916 2.178 possible 1221 97 B ARG CB 8 C4H2s 0.770 1.880 4.836 32.615 22.833 1.428 possible 1222 97 B ARG CG 8 C4H2s 0.770 1.880 5.216 38.024 23.273 1.634 possible 1223 97 B ARG CD 8 C4H2s 0.770 1.880 34.720 -1.000 22.849 -1.000 bad 1224 97 B ARG NE 13 N3H1b 0.700 1.640 22.688 -1.000 15.019 -1.000 bad 1225 97 B ARG CZ 2 C3H0b 0.770 1.610 1.803 -1.000 9.678 -1.000 bad 1226 97 B ARG NH1 15 N3H2u 0.700 1.640 49.298 -1.000 22.056 -1.000 bad 1227 97 B ARG NH2 15 N3H2u 0.700 1.640 52.311 -1.000 23.132 -1.000 bad 1241 98 B LEU N 12 N3H1s 0.700 1.640 3.389 14.533 13.517 1.075 possible 1242 98 B LEU CA 3 C4H1s 0.770 1.880 4.717 19.274 13.055 1.476 possible 1243 98 B LEU C 1 C3H0s 0.770 1.610 2.794 8.032 8.781 0.915 [OK] 1244 98 B LEU O 16 O1H0u 0.660 1.420 10.629 -1.000 15.957 -1.000 bad 1245 98 B LEU CB 8 C4H2s 0.770 1.880 5.273 34.138 22.818 1.496 possible 1246 98 B LEU CG 4 C4H1b 0.770 1.880 6.725 35.841 14.704 2.438 possible 1247 98 B LEU CD1 10 C4H3u 0.770 1.880 51.216 -1.000 37.235 -1.000 bad 1248 98 B LEU CD2 10 C4H3u 0.770 1.880 60.382 -1.000 37.020 -1.000 bad 1260 99 B ILE N 12 N3H1s 0.700 1.640 2.793 12.095 13.493 0.896 [OK] 1261 99 B ILE CA 3 C4H1s 0.770 1.880 4.099 16.458 12.946 1.271 possible 1262 99 B ILE C 1 C3H0s 0.770 1.610 3.236 9.101 8.445 1.078 possible 1263 99 B ILE O 16 O1H0u 0.660 1.420 17.581 -1.000 15.930 -1.000 bad 1264 99 B ILE CB 4 C4H1b 0.770 1.880 5.809 15.526 14.146 1.098 possible 1265 99 B ILE CG1 9 C4H2b 0.770 1.880 13.553 -1.000 24.071 -1.000 bad 1266 99 B ILE CG2 10 C4H3u 0.770 1.880 43.332 -1.000 35.763 -1.000 bad 1267 99 B ILE CD1 10 C4H3u 0.770 1.880 51.645 -1.000 38.219 -1.000 bad 1279 100 B LYS N 12 N3H1s 0.700 1.640 4.357 26.712 13.429 1.989 possible 1280 100 B LYS CA 3 C4H1s 0.770 1.880 4.624 18.330 13.217 1.387 possible 1281 100 B LYS C 1 C3H0s 0.770 1.610 2.388 8.383 8.696 0.964 [OK] 1282 100 B LYS O 16 O1H0u 0.660 1.420 15.748 -1.000 15.818 -1.000 bad 1283 100 B LYS CB 8 C4H2s 0.770 1.880 7.888 55.544 22.578 2.460 possible 1284 100 B LYS CG 8 C4H2s 0.770 1.880 18.102 -1.000 22.847 -1.000 bad 1285 100 B LYS CD 8 C4H2s 0.770 1.880 21.425 -1.000 23.365 -1.000 bad 1286 100 B LYS CE 9 C4H2b 0.770 1.880 17.257 -1.000 23.720 -1.000 bad 1287 100 B LYS NZ 14 N4H3u 0.700 1.640 55.699 -1.000 21.413 -1.000 bad 1301 101 B LYS N 12 N3H1s 0.700 1.640 7.694 -1.000 13.429 -1.000 bad 1302 101 B LYS CA 3 C4H1s 0.770 1.880 11.771 -1.000 13.217 -1.000 bad 1303 101 B LYS C 1 C3H0s 0.770 1.610 3.736 -1.000 8.696 -1.000 bad 1304 101 B LYS O 16 O1H0u 0.660 1.420 38.054 -1.000 15.818 -1.000 bad 1305 101 B LYS CB 8 C4H2s 0.770 1.880 20.732 -1.000 22.578 -1.000 bad 1306 101 B LYS CG 8 C4H2s 0.770 1.880 13.564 -1.000 22.847 -1.000 bad 1307 101 B LYS CD 8 C4H2s 0.770 1.880 28.164 -1.000 23.365 -1.000 bad 1308 101 B LYS CE 9 C4H2b 0.770 1.880 36.957 -1.000 23.720 -1.000 bad 1309 101 B LYS NZ 14 N4H3u 0.700 1.640 41.925 -1.000 21.413 -1.000 bad 1310 101 B LYS OXT 16 O1H0u 0.660 1.420 19.094 -1.000 1.420 -1.000 bad