Atomic volumes, without any HETATM and zero accessibility for individual atoms ( cd ~/rc/tests all_analyze -atoms -f -maxa 0.0 st421000.res > walatoms ) atom Count Mean volume SD SD(%) Minimum Maximum GLY O 676 15.921 1.583 9.945 11.725 27.474 C 772 10.254 0.825 8.045 8.024 13.134 CA 393 23.398 2.145 9.166 19.245 32.973 N 746 14.779 1.388 9.393 11.851 23.727 Total 2587 64.352 3.117 4.843 ALA O 862 15.931 1.453 9.120 11.428 24.662 C 1122 9.389 0.607 6.470 8.168 11.610 CA 1002 14.124 1.195 8.462 11.241 18.697 N 1057 13.969 1.296 9.280 11.101 26.646 CB 560 36.631 2.874 7.845 29.724 46.436 Total 4603 90.044 3.721 4.133 VAL O 897 15.956 1.328 8.323 12.444 22.819 C 1159 9.075 0.628 6.917 7.621 11.326 CA 1041 13.180 0.998 7.573 10.932 17.350 N 1180 13.698 1.051 7.673 11.852 26.054 CB 1100 14.610 1.122 7.680 11.570 19.682 CG1 715 36.474 2.705 7.416 29.466 44.762 CG2 779 36.047 2.639 7.320 25.601 48.505 Total 6871 139.041 4.450 3.200 LEU O 885 15.813 1.466 9.272 12.217 23.256 C 1124 9.343 0.655 7.013 7.715 12.223 CA 1084 13.164 0.836 6.350 10.608 16.753 N 1132 13.691 1.100 8.037 11.203 19.980 CB 936 22.986 1.700 7.395 17.966 29.600 CG 1091 14.772 1.317 8.918 11.555 21.161 CD1 738 37.402 3.074 8.220 27.994 48.362 CD2 656 37.262 3.098 8.315 26.938 46.351 Total 7646 164.434 5.307 3.228 ILE O 687 15.803 1.370 8.672 12.705 22.123 C 841 9.006 0.615 6.833 7.668 11.388 CA 745 13.091 0.975 7.446 10.725 16.252 N 817 13.707 1.147 8.371 11.426 25.272 CB 796 14.222 1.015 7.137 11.509 18.548 CG1 622 24.256 2.052 8.458 18.988 31.566 CG2 528 36.049 2.916 8.088 26.709 45.436 CD1 503 37.870 3.462 9.143 20.653 49.706 Total 5539 164.003 5.500 3.354 PRO O 176 16.555 2.173 13.125 12.517 22.712 C 254 9.405 0.562 5.972 8.236 11.073 CA 241 13.858 1.014 7.320 11.627 18.261 N 338 8.681 0.657 7.567 7.267 10.478 CB 144 25.178 2.357 9.361 20.397 31.595 CG 138 26.329 2.420 9.191 21.330 32.507 CD 158 23.534 2.132 9.059 18.964 29.291 Total 1449 123.541 4.738 3.836 MET O 208 15.833 1.325 8.366 13.419 22.701 C 252 9.324 0.649 6.965 7.643 11.137 CA 218 13.321 1.031 7.741 11.643 16.958 N 254 13.646 1.067 7.822 10.595 18.232 CB 190 22.996 1.810 7.869 16.874 28.222 CG 189 23.595 1.606 6.805 19.828 28.566 SD 201 31.508 2.509 7.963 26.021 38.104 CE 144 36.530 3.579 9.798 27.330 45.774 Total 1656 166.752 5.416 3.248 PHE O 449 15.864 1.460 9.200 12.271 25.195 C 565 9.275 0.821 8.850 7.566 11.936 CA 509 13.367 0.953 7.132 11.359 17.038 N 568 13.722 1.221 8.895 11.480 20.806 CB 444 23.694 1.865 7.872 17.070 30.256 CG 647 10.269 0.675 6.574 8.834 12.833 CD1 491 20.674 1.762 8.521 15.971 28.390 CD2 475 20.946 1.772 8.460 17.020 26.353 CE1 416 21.521 1.774 8.242 17.455 26.870 CE2 426 21.801 2.022 9.276 16.895 28.789 CZ 415 21.942 1.990 9.068 17.815 29.291 Total 5405 193.075 5.155 2.670 TYR O 308 15.761 1.387 8.799 12.635 20.076 C 366 9.313 0.785 8.425 7.765 12.226 CA 320 13.204 0.892 6.754 11.605 16.337 N 377 13.711 1.148 8.373 11.588 18.989 CB 292 23.833 1.995 8.369 19.272 29.256 CG 417 10.211 0.659 6.452 8.840 12.362 CD1 288 20.594 1.730 8.399 15.874 25.249 CD2 313 20.623 1.919 9.307 16.411 26.098 CE1 235 20.866 1.860 8.913 16.632 27.173 CE2 225 20.757 1.830 8.817 17.102 26.573 CZ 335 10.427 0.723 6.938 8.579 12.956 OH 141 17.789 2.149 12.081 14.060 24.696 Total 3617 197.089 5.262 2.670 TRP O 157 15.549 1.330 8.552 10.911 19.326 C 190 9.222 0.779 8.450 7.545 11.617 CA 184 13.352 0.793 5.942 11.427 15.738 N 176 13.857 1.086 7.835 11.478 19.667 CB 150 23.699 1.955 8.251 18.572 28.246 CG 231 10.401 0.630 6.053 8.690 12.704 CD1 124 21.206 1.906 8.990 16.945 27.025 NE1 135 17.045 1.794 10.525 13.097 21.365 CD2 221 10.646 0.711 6.678 9.094 13.050 CE2 212 10.390 0.837 8.053 8.704 12.960 CE3 184 20.842 1.735 8.326 16.826 25.981 CZ3 176 21.782 1.890 8.678 16.552 30.853 CZ2 135 21.277 1.896 8.912 17.095 27.931 CH2 149 21.313 1.914 8.979 16.534 27.521 Total 2424 230.581 5.505 2.387 SER O 398 15.925 1.547 9.717 11.873 23.489 C 496 9.387 0.670 7.135 7.655 11.637 CA 413 13.648 1.089 7.981 11.098 17.362 N 481 14.345 1.247 8.695 11.812 19.325 CB 243 24.190 2.216 9.162 18.440 32.164 OG 261 17.514 1.932 11.032 12.501 24.606 Total 2292 95.009 3.772 3.970 THR O 392 15.915 1.498 9.412 12.600 22.329 C 490 9.210 0.621 6.738 7.663 12.384 CA 442 13.359 1.067 7.991 11.256 17.026 N 483 14.117 1.180 8.358 11.400 19.655 CB 348 14.708 1.209 8.223 11.295 19.496 OG1 241 17.485 2.317 13.250 13.717 24.593 CG2 245 35.882 3.060 8.529 25.788 46.413 Total 2641 120.675 4.621 3.830 ASN O 193 15.830 1.539 9.721 12.778 24.617 C 269 9.334 0.671 7.188 7.631 11.996 CA 234 13.233 0.874 6.601 11.433 16.096 N 274 13.979 1.255 8.974 11.216 19.976 CB 150 23.565 1.929 8.187 19.662 29.072 CG 229 10.184 0.772 7.582 8.443 13.624 OD1 149 16.615 1.960 11.794 12.999 25.181 ND2 86 23.569 3.242 13.754 17.602 32.142 Total 1584 126.309 4.881 3.864 GLN O 102 15.660 1.306 8.338 12.663 21.179 C 155 9.200 0.611 6.645 7.779 10.853 CA 147 13.385 1.159 8.656 11.298 18.902 N 184 13.810 1.181 8.550 10.980 20.568 CB 108 23.292 2.053 8.813 18.371 29.085 CG 97 23.734 1.932 8.141 20.285 30.350 CD 135 10.226 0.718 7.022 8.365 11.603 OE1 78 17.036 2.304 13.525 13.174 28.190 NE2 67 24.072 3.062 12.721 18.689 32.365 Total 1073 150.415 5.288 3.516 CYS O 92 16.023 1.445 9.019 13.410 21.034 C 115 9.195 0.595 6.472 8.022 10.904 CA 96 13.477 1.019 7.559 11.614 17.401 N 116 13.896 1.195 8.598 11.897 19.850 CB 66 23.089 1.563 6.768 16.543 27.298 SG 67 37.790 3.512 9.295 28.429 46.197 Total 552 113.471 4.437 3.910 CYS (SS) O 170 15.713 1.404 8.935 11.732 19.854 C 218 9.369 0.618 6.599 7.872 11.636 CA 214 13.116 0.911 6.949 11.386 15.631 N 209 13.767 1.173 8.522 9.608 19.536 CB 179 22.909 2.129 9.294 19.121 29.914 SG 184 28.904 2.619 9.061 23.533 36.794 Total 1174 103.777 3.994 3.849 HIS O 157 15.613 1.280 8.198 13.213 19.840 C 198 9.220 0.685 7.429 8.023 11.311 CA 154 13.470 1.030 7.647 11.226 16.177 N 172 13.900 1.066 7.672 11.774 17.086 CB 128 23.863 1.975 8.277 19.880 29.012 CG 198 10.359 0.688 6.646 8.833 13.204 ND1 145 14.201 1.700 11.970 11.279 21.131 CD2 112 21.131 2.529 11.970 14.821 28.114 CE1 84 20.605 2.150 10.433 16.745 27.472 NE2 96 17.037 2.380 13.967 12.632 23.219 Total 1444 159.401 5.315 3.335 GLU O 134 15.542 1.243 7.995 11.352 20.451 C 193 9.236 0.643 6.962 7.869 11.224 CA 135 13.426 1.078 8.028 11.382 16.812 N 186 13.931 1.056 7.583 11.515 17.482 CB 119 23.330 1.911 8.191 18.707 27.579 CG 91 23.767 2.321 9.766 18.538 31.397 CD 99 9.982 0.767 7.686 8.201 12.150 OE1 62 16.122 2.130 13.210 11.830 23.875 OE2 61 16.746 2.320 13.857 12.506 22.364 Total 1080 142.082 4.877 3.432 ASP O 220 15.894 1.616 10.169 12.806 22.750 C 308 9.357 0.705 7.536 7.777 11.813 CA 266 13.303 0.984 7.400 11.136 16.353 N 297 14.058 1.141 8.118 11.637 17.873 CB 172 23.796 1.841 7.739 19.650 28.626 CG 188 10.004 0.742 7.418 8.398 12.524 OD1 139 15.862 1.868 11.779 12.942 22.699 OD2 121 15.689 2.039 12.998 13.137 23.215 Total 1711 117.964 4.120 3.492 ARG O 127 15.844 1.736 10.956 12.738 22.113 C 147 9.296 0.667 7.177 8.036 10.860 CA 140 13.502 1.187 8.790 10.859 17.894 N 154 13.649 0.996 7.300 11.604 19.089 CB 101 23.076 2.102 9.107 18.523 28.252 CG 87 23.697 2.180 9.198 18.456 28.742 CD 80 23.341 2.631 11.271 17.971 31.795 NE 82 15.626 1.518 9.717 12.106 20.537 CZ 130 10.120 0.776 7.670 8.350 12.836 NH1 65 23.068 2.305 9.992 18.665 30.323 NH2 45 24.044 2.177 9.056 20.482 30.557 Total 1158 195.262 5.908 3.026 LYS O 68 16.170 1.383 8.551 13.038 18.805 C 88 9.243 0.570 6.171 7.824 10.554 CA 81 13.307 0.882 6.626 10.887 16.292 N 86 14.021 1.266 9.027 11.502 17.922 CB 58 23.506 2.168 9.223 19.488 28.797 CG 56 23.748 1.966 8.278 20.196 28.171 CD 45 24.604 2.079 8.448 21.414 29.651 CE 19 24.737 2.284 9.232 21.027 28.175 NZ 13 20.657 1.801 8.720 18.522 25.458 Total 514 169.993 5.095 2.997