NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
647302 | 6o8t | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 63.888 17.046 -3.047 2 H2 ALA 1 HT2 ALA 1 64.709 16.486 -4.425 3 H3 ALA 1 HT3 ALA 1 65.473 16.461 -2.907 4 HA ALA 1 HA ALA 1 64.414 14.650 -2.201 5 HB1 ALA 1 HB1 ALA 1 62.154 15.288 -4.129 6 HB2 ALA 1 HB2 ALA 1 62.196 15.771 -2.416 7 HB3 ALA 1 HB3 ALA 1 62.155 14.046 -2.854 8 H TRP 2 HN TRP 2 63.971 12.457 -3.113 9 HA TRP 2 HA TRP 2 64.497 12.033 -5.957 10 HB2 TRP 2 HB2 TRP 2 66.788 12.554 -5.166 11 HB3 TRP 2 HB1 TRP 2 66.653 11.263 -3.947 12 HD1 TRP 2 HD1 TRP 2 67.029 11.844 -7.697 13 HE1 TRP 2 HE1 TRP 2 67.676 9.616 -8.873 14 HE3 TRP 2 HE3 TRP 2 66.456 8.648 -3.739 15 HZ2 TRP 2 HZ2 TRP 2 67.903 6.835 -8.160 16 HZ3 TRP 2 HZ3 TRP 2 66.893 6.211 -4.011 17 HH2 TRP 2 HH2 TRP 2 67.616 5.303 -6.215 18 H LYS 3 HN LYS 3 64.167 10.877 -2.647 19 HA LYS 3 HA LYS 3 63.791 8.086 -3.391 20 HB2 LYS 3 HB2 LYS 3 64.489 9.132 -1.091 21 HB3 LYS 3 HB1 LYS 3 62.748 9.372 -0.846 22 HG2 LYS 3 HG2 LYS 3 63.039 7.248 0.113 23 HG3 LYS 3 HG1 LYS 3 62.585 6.804 -1.545 24 HD2 LYS 3 HD2 LYS 3 64.935 6.464 -2.147 25 HD3 LYS 3 HD1 LYS 3 65.465 7.069 -0.560 26 HE2 LYS 3 HE2 LYS 3 63.713 4.612 -0.999 27 HE3 LYS 3 HE1 LYS 3 65.462 4.576 -0.665 28 HZ1 LYS 3 HZ1 LYS 3 63.327 5.662 1.103 29 HZ2 LYS 3 HZ2 LYS 3 64.992 5.813 1.407 30 HZ3 LYS 3 HZ3 LYS 3 64.266 4.276 1.373 31 H GLU 4 HN GLU 4 61.949 10.849 -3.845 32 HA GLU 4 HA GLU 4 59.721 11.203 -4.374 33 HB2 GLU 4 HB2 GLU 4 59.871 8.241 -5.059 34 HB3 GLU 4 HB1 GLU 4 58.561 9.342 -5.546 35 HG2 GLU 4 HG2 GLU 4 60.181 10.756 -6.760 36 HG3 GLU 4 HG1 GLU 4 61.511 9.690 -6.246 37 H LYS 5 HN LYS 5 60.574 10.033 -1.639 38 HA LYS 5 HA LYS 5 59.518 9.361 0.315 39 HB2 LYS 5 HB2 LYS 5 57.037 10.509 -1.019 40 HB3 LYS 5 HB1 LYS 5 57.340 10.337 0.727 41 HG2 LYS 5 HG2 LYS 5 59.222 11.923 0.579 42 HG3 LYS 5 HG1 LYS 5 58.976 12.072 -1.179 43 HD2 LYS 5 HD2 LYS 5 56.790 13.063 -0.865 44 HD3 LYS 5 HD1 LYS 5 56.829 12.723 0.883 45 HE2 LYS 5 HE2 LYS 5 58.866 14.497 -0.523 46 HE3 LYS 5 HE1 LYS 5 57.390 15.123 0.248 47 HZ1 LYS 5 HZ1 LYS 5 59.484 15.078 1.647 48 HZ2 LYS 5 HZ2 LYS 5 59.314 13.389 1.694 49 HZ3 LYS 5 HZ3 LYS 5 58.100 14.387 2.341 50 H ILE 6 HN ILE 6 59.514 7.517 -2.091 51 HA ILE 6 HA ILE 6 58.478 5.540 -2.767 52 HB ILE 6 HB ILE 6 57.537 5.228 0.117 53 HG12 ILE 6 HG12 ILE 6 60.375 4.956 -0.980 54 HG13 ILE 6 HG11 ILE 6 59.817 6.127 0.240 55 HG21 ILE 6 HG21 ILE 6 58.845 3.193 -1.734 56 HG22 ILE 6 HG22 ILE 6 57.094 3.502 -1.768 57 HG23 ILE 6 HG23 ILE 6 57.861 2.896 -0.282 58 HD11 ILE 6 HD1 ILE 6 59.074 4.057 1.621 59 HD12 ILE 6 HD2 ILE 6 60.820 4.380 1.507 60 HD13 ILE 6 HD3 ILE 6 60.085 3.111 0.501 61 H ARG 7 HN ARG 7 56.989 7.868 -3.134 62 HA ARG 7 HA ARG 7 54.862 8.502 -3.766 63 HB2 ARG 7 HB2 ARG 7 53.846 5.736 -2.999 64 HB3 ARG 7 HB1 ARG 7 53.113 6.908 -4.110 65 HG2 ARG 7 HG2 ARG 7 55.107 6.704 -5.614 66 HG3 ARG 7 HG1 ARG 7 55.774 5.465 -4.524 67 HD2 ARG 7 HD2 ARG 7 53.782 4.049 -4.900 68 HD3 ARG 7 HD1 ARG 7 53.096 5.290 -5.976 69 HE ARG 7 HE ARG 7 55.589 4.747 -7.079 70 HH11 ARG 7 HH11 ARG 7 52.473 3.443 -6.897 71 HH12 ARG 7 HH12 ARG 7 52.856 1.985 -7.751 72 HH21 ARG 7 HH21 ARG 7 56.262 2.630 -7.856 73 HH22 ARG 7 HH22 ARG 7 55.003 1.525 -8.293 74 H LYS 8 HN LYS 8 55.630 9.367 -1.270 75 HA LYS 8 HA LYS 8 54.575 9.992 0.784 76 HB2 LYS 8 HB2 LYS 8 52.524 9.867 -1.238 77 HB3 LYS 8 HB1 LYS 8 51.925 9.455 0.360 78 HG2 LYS 8 HG2 LYS 8 51.724 11.897 -0.037 79 HG3 LYS 8 HG1 LYS 8 52.896 11.588 1.260 80 HD2 LYS 8 HD2 LYS 8 54.749 12.086 -0.138 81 HD3 LYS 8 HD1 LYS 8 53.817 11.821 -1.629 82 HE2 LYS 8 HE2 LYS 8 54.240 14.238 -1.209 83 HE3 LYS 8 HE1 LYS 8 52.502 13.860 -1.182 84 HZ1 LYS 8 HZ1 LYS 8 53.271 15.288 0.683 85 HZ2 LYS 8 HZ2 LYS 8 54.214 13.993 1.250 86 HZ3 LYS 8 HZ3 LYS 8 52.522 13.853 1.189 87 H LYS 9 HN LYS 9 52.409 8.965 2.112 88 HA LYS 9 HA LYS 9 52.993 6.099 2.375 89 HB2 LYS 9 HB2 LYS 9 53.197 8.038 4.697 90 HB3 LYS 9 HB1 LYS 9 53.264 6.264 4.827 91 HG2 LYS 9 HG2 LYS 9 55.293 6.267 3.359 92 HG3 LYS 9 HG1 LYS 9 55.250 8.046 3.350 93 HD2 LYS 9 HD2 LYS 9 55.468 8.068 5.818 94 HD3 LYS 9 HD1 LYS 9 55.513 6.288 5.830 95 HE2 LYS 9 HE2 LYS 9 57.490 8.013 4.281 96 HE3 LYS 9 HE1 LYS 9 57.795 7.398 5.923 97 HZ1 LYS 9 HZ1 LYS 9 57.237 5.760 3.499 98 HZ2 LYS 9 HZ2 LYS 9 57.429 5.141 5.070 99 HZ3 LYS 9 HZ3 LYS 9 58.729 5.910 4.291 100 H LEU 10 HN LEU 10 51.037 6.232 1.176 101 HA LEU 10 HA LEU 10 48.621 6.517 1.215 102 HB2 LEU 10 HB2 LEU 10 48.812 6.456 4.242 103 HB3 LEU 10 HB1 LEU 10 47.536 5.801 3.200 104 HG LEU 10 HG LEU 10 50.328 4.622 3.483 105 HD11 LEU 10 HD11 LEU 10 49.013 4.336 5.536 106 HD12 LEU 10 HD12 LEU 10 49.116 2.788 4.665 107 HD13 LEU 10 HD13 LEU 10 47.624 3.755 4.590 108 HD21 LEU 10 HD21 LEU 10 47.810 3.682 2.044 109 HD22 LEU 10 HD22 LEU 10 49.289 2.713 2.247 110 HD23 LEU 10 HD23 LEU 10 49.329 4.204 1.276 111 H LYS 11 HN LYS 11 49.936 8.143 0.310 112 HA LYS 11 HA LYS 11 50.422 10.410 1.087 113 HB2 LYS 11 HB2 LYS 11 48.160 10.530 -0.663 114 HB3 LYS 11 HB1 LYS 11 49.603 11.463 -0.828 115 HG2 LYS 11 HG2 LYS 11 50.484 8.824 -1.182 116 HG3 LYS 11 HG1 LYS 11 48.867 8.750 -1.869 117 HD2 LYS 11 HD2 LYS 11 49.356 10.545 -3.420 118 HD3 LYS 11 HD1 LYS 11 50.931 10.856 -2.653 119 HE2 LYS 11 HE2 LYS 11 50.977 9.446 -4.797 120 HE3 LYS 11 HE1 LYS 11 51.816 8.758 -3.386 121 HZ1 LYS 11 HZ1 LYS 11 49.960 7.464 -4.835 122 HZ2 LYS 11 HZ2 LYS 11 49.003 8.091 -3.579 123 HZ3 LYS 11 HZ3 LYS 11 50.337 7.100 -3.223 124 H ASN 12 HN ASN 12 50.157 10.166 3.139 125 HA ASN 12 HA ASN 12 49.337 11.332 4.980 126 HB2 ASN 12 HB2 ASN 12 47.012 12.559 3.556 127 HB3 ASN 12 HB1 ASN 12 47.881 13.168 4.971 128 HD21 ASN 12 HD21 ASN 12 50.483 13.283 4.344 129 HD22 ASN 12 HD22 ASN 12 50.761 14.204 2.862 130 H GLU 13 HN GLU 13 47.400 9.715 2.785 131 HA GLU 13 HA GLU 13 46.868 7.579 4.371 132 HB2 GLU 13 HB2 GLU 13 44.965 9.520 5.152 133 HB3 GLU 13 HB1 GLU 13 44.092 8.392 4.099 134 HG2 GLU 13 HG2 GLU 13 45.791 7.584 6.483 135 HG3 GLU 13 HG1 GLU 13 44.014 7.701 6.473 136 H ILE 14 HN ILE 14 47.440 8.976 1.491 137 HA ILE 14 HA ILE 14 47.476 7.538 -0.408 138 HB ILE 14 HB ILE 14 44.603 6.961 0.273 139 HG12 ILE 14 HG12 ILE 14 46.541 5.488 1.160 140 HG13 ILE 14 HG11 ILE 14 45.166 4.679 0.406 141 HG21 ILE 14 HG21 ILE 14 44.402 7.407 -2.028 142 HG22 ILE 14 HG22 ILE 14 44.626 5.653 -1.964 143 HG23 ILE 14 HG23 ILE 14 45.998 6.709 -2.378 144 HD11 ILE 14 HD1 ILE 14 46.378 4.187 -1.571 145 HD12 ILE 14 HD2 ILE 14 47.576 3.938 -0.290 146 HD13 ILE 14 HD3 ILE 14 47.609 5.426 -1.249 147 H LYS 15 HN LYS 15 46.470 10.229 1.011 148 HA LYS 15 HA LYS 15 46.826 12.079 -0.753 149 HB2 LYS 15 HB2 LYS 15 44.456 10.728 -1.863 150 HB3 LYS 15 HB1 LYS 15 44.595 12.479 -2.069 151 HG2 LYS 15 HG2 LYS 15 46.440 12.374 -3.493 152 HG3 LYS 15 HG1 LYS 15 47.013 10.823 -2.855 153 HD2 LYS 15 HD2 LYS 15 44.898 9.785 -3.949 154 HD3 LYS 15 HD1 LYS 15 44.714 11.344 -4.783 155 HE2 LYS 15 HE2 LYS 15 46.977 11.118 -5.742 156 HE3 LYS 15 HE1 LYS 15 47.188 9.568 -4.892 157 HZ1 LYS 15 HZ1 LYS 15 45.345 8.655 -6.121 158 HZ2 LYS 15 HZ2 LYS 15 46.478 9.295 -7.213 159 HZ3 LYS 15 HZ3 LYS 15 45.045 10.144 -6.878 160 H LYS 16 HN LYS 16 46.854 13.754 0.166 161 HA LYS 16 HA LYS 16 46.041 15.412 1.624 162 HB2 LYS 16 HB2 LYS 16 44.474 15.541 -0.296 163 HB3 LYS 16 HB1 LYS 16 43.552 14.202 0.447 164 HG2 LYS 16 HG2 LYS 16 42.492 16.472 0.851 165 HG3 LYS 16 HG1 LYS 16 42.955 15.656 2.352 166 HD2 LYS 16 HD2 LYS 16 43.493 18.116 2.280 167 HD3 LYS 16 HD1 LYS 16 44.901 17.091 2.603 168 HE2 LYS 16 HE2 LYS 16 45.151 18.996 0.844 169 HE3 LYS 16 HE1 LYS 16 45.756 17.388 0.393 170 HZ1 LYS 16 HZ1 LYS 16 44.472 18.113 -1.412 171 HZ2 LYS 16 HZ2 LYS 16 43.221 18.697 -0.422 172 HZ3 LYS 16 HZ3 LYS 16 43.463 17.025 -0.593 173 H LYS 17 HN LYS 17 45.240 12.320 1.456 174 HA LYS 17 HA LYS 17 45.435 10.966 3.596 175 HB2 LYS 17 HB2 LYS 17 43.265 12.850 4.516 176 HB3 LYS 17 HB1 LYS 17 43.358 11.230 5.193 177 HG2 LYS 17 HG2 LYS 17 45.712 11.639 5.876 178 HG3 LYS 17 HG1 LYS 17 45.587 13.300 5.281 179 HD2 LYS 17 HD2 LYS 17 43.658 13.681 6.822 180 HD3 LYS 17 HD1 LYS 17 43.894 12.040 7.470 181 HE2 LYS 17 HE2 LYS 17 45.022 13.664 8.923 182 HE3 LYS 17 HE1 LYS 17 46.237 12.660 8.097 183 HZ1 LYS 17 HZ1 LYS 17 45.362 15.387 7.277 184 HZ2 LYS 17 HZ2 LYS 17 46.486 14.424 6.442 185 HZ3 LYS 17 HZ3 LYS 17 46.841 14.988 8.005 186 H TRP 18 HN TRP 18 44.523 10.532 0.943 187 HA TRP 18 HA TRP 18 43.555 8.960 -0.145 188 HB2 TRP 18 HB2 TRP 18 42.825 7.644 2.064 189 HB3 TRP 18 HB1 TRP 18 41.295 8.120 1.375 190 HD1 TRP 18 HD1 TRP 18 41.820 7.726 -1.685 191 HE1 TRP 18 HE1 TRP 18 41.980 5.325 -2.653 192 HE3 TRP 18 HE3 TRP 18 42.949 5.193 2.619 193 HZ2 TRP 18 HZ2 TRP 18 42.521 2.674 -1.669 194 HZ3 TRP 18 HZ3 TRP 18 43.278 2.726 2.580 195 HH2 TRP 18 HH2 TRP 18 43.066 1.464 0.443 196 H ARG 19 HN ARG 19 43.425 11.566 -0.364 197 HA ARG 19 HA ARG 19 42.180 12.936 -1.699 198 HB2 ARG 19 HB2 ARG 19 40.174 10.658 -2.000 199 HB3 ARG 19 HB1 ARG 19 40.350 12.099 -3.015 200 HG2 ARG 19 HG2 ARG 19 42.612 11.289 -3.720 201 HG3 ARG 19 HG1 ARG 19 42.305 9.779 -2.837 202 HD2 ARG 19 HD2 ARG 19 40.159 9.567 -4.242 203 HD3 ARG 19 HD1 ARG 19 40.833 10.864 -5.261 204 HE ARG 19 HE ARG 19 42.869 8.944 -5.036 205 HH11 ARG 19 HH11 ARG 19 41.810 6.582 -5.322 206 HH12 ARG 19 HH12 ARG 19 41.030 6.457 -6.863 207 HH21 ARG 19 HH21 ARG 19 40.907 9.884 -7.376 208 HH22 ARG 19 HH22 ARG 19 40.518 8.326 -8.027 209 H LYS 20 HN LYS 20 42.578 13.071 0.445 210 HA LYS 20 HA LYS 20 42.259 13.371 2.488 211 HB2 LYS 20 HB2 LYS 20 40.738 15.258 1.717 212 HB3 LYS 20 HB1 LYS 20 39.551 14.201 2.371 213 HG2 LYS 20 HG2 LYS 20 40.139 14.561 4.589 214 HG3 LYS 20 HG1 LYS 20 41.841 14.832 4.183 215 HD2 LYS 20 HD2 LYS 20 41.296 17.057 3.278 216 HD3 LYS 20 HD1 LYS 20 39.565 16.771 3.574 217 HE2 LYS 20 HE2 LYS 20 40.110 16.458 6.023 218 HE3 LYS 20 HE1 LYS 20 41.777 16.968 5.661 219 HZ1 LYS 20 HZ1 LYS 20 39.966 18.693 6.391 220 HZ2 LYS 20 HZ2 LYS 20 39.554 18.658 4.743 221 HZ3 LYS 20 HZ3 LYS 20 41.124 19.097 5.221 222 H ALA 21 HN ALA 21 41.216 11.034 1.219 223 HA ALA 21 HA ALA 21 41.180 8.998 3.102 224 HB1 ALA 21 HB1 ALA 21 39.158 10.796 4.379 225 HB2 ALA 21 HB2 ALA 21 40.739 10.341 5.092 226 HB3 ALA 21 HB3 ALA 21 39.474 9.116 4.871 227 H VAL 22 HN VAL 22 40.256 10.010 0.667 228 HA VAL 22 HA VAL 22 38.653 9.512 -0.807 229 HB VAL 22 HB VAL 22 36.900 8.091 1.253 230 HG11 VAL 22 HG11 VAL 22 37.333 7.762 -1.744 231 HG12 VAL 22 HG12 VAL 22 35.984 8.623 -0.961 232 HG13 VAL 22 HG13 VAL 22 36.149 6.864 -0.764 233 HG21 VAL 22 HG21 VAL 22 38.874 6.796 1.590 234 HG22 VAL 22 HG22 VAL 22 39.385 6.966 -0.105 235 HG23 VAL 22 HG23 VAL 22 38.019 5.906 0.316 236 H ILE 23 HN ILE 23 39.594 11.520 1.672 237 HA ILE 23 HA ILE 23 36.496 12.404 1.782 238 HB ILE 23 HB ILE 23 38.604 13.006 3.815 239 HG12 ILE 23 HG12 ILE 23 35.662 12.363 4.149 240 HG13 ILE 23 HG11 ILE 23 36.880 11.089 3.937 241 HG21 ILE 23 HG21 ILE 23 37.668 15.237 3.144 242 HG22 ILE 23 HG22 ILE 23 37.138 14.761 4.766 243 HG23 ILE 23 HG23 ILE 23 36.035 14.583 3.385 244 HD11 ILE 23 HD1 ILE 23 38.126 12.266 5.933 245 HD12 ILE 23 HD2 ILE 23 36.696 11.275 6.287 246 HD13 ILE 23 HD3 ILE 23 36.555 13.043 6.238 247 H ALA 24 HN ALA 24 39.536 13.244 0.764 248 HA ALA 24 HA ALA 24 38.581 15.526 -0.455 249 HB1 ALA 24 HB1 ALA 24 41.260 14.838 -0.276 250 HB2 ALA 24 HB2 ALA 24 40.655 16.313 -0.991 251 HB3 ALA 24 HB3 ALA 24 40.857 14.855 -1.980 252 H TRP 25 HN TRP 25 38.989 12.790 -0.589 253 HA TRP 25 HA TRP 25 37.985 11.052 -2.164 254 HB2 TRP 25 HB2 TRP 25 35.953 12.020 -1.231 255 HB3 TRP 25 HB1 TRP 25 36.005 13.326 -2.422 256 HD1 TRP 25 HD1 TRP 25 36.483 9.527 -3.086 257 HE1 TRP 25 HE1 TRP 25 34.713 8.753 -4.821 258 HE3 TRP 25 HE3 TRP 25 33.860 13.899 -3.570 259 HZ2 TRP 25 HZ2 TRP 25 32.472 9.900 -6.215 260 HZ3 TRP 25 HZ3 TRP 25 31.909 14.035 -5.111 261 HH2 TRP 25 HH2 TRP 25 31.213 12.041 -6.433 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 62.610 15.018 -6.668 2 H2 ALA 1 HT2 ALA 1 61.430 15.026 -5.446 3 H3 ALA 1 HT3 ALA 1 61.868 13.569 -6.201 4 HA ALA 1 HA ALA 1 63.980 15.090 -4.932 5 HB1 ALA 1 HB1 ALA 1 61.965 13.447 -3.362 6 HB2 ALA 1 HB2 ALA 1 62.073 15.224 -3.337 7 HB3 ALA 1 HB3 ALA 1 63.424 14.239 -2.723 8 H TRP 2 HN TRP 2 64.778 13.050 -3.232 9 HA TRP 2 HA TRP 2 65.883 11.163 -5.189 10 HB2 TRP 2 HB2 TRP 2 66.155 11.398 -2.165 11 HB3 TRP 2 HB1 TRP 2 67.045 10.228 -3.169 12 HD1 TRP 2 HD1 TRP 2 67.043 13.813 -2.072 13 HE1 TRP 2 HE1 TRP 2 69.017 15.110 -3.161 14 HE3 TRP 2 HE3 TRP 2 68.513 10.311 -5.505 15 HZ2 TRP 2 HZ2 TRP 2 70.955 14.656 -5.242 16 HZ3 TRP 2 HZ3 TRP 2 70.427 10.764 -7.032 17 HH2 TRP 2 HH2 TRP 2 71.648 12.931 -6.904 18 H LYS 3 HN LYS 3 64.498 10.431 -1.968 19 HA LYS 3 HA LYS 3 63.501 7.856 -2.972 20 HB2 LYS 3 HB2 LYS 3 63.255 9.264 -0.285 21 HB3 LYS 3 HB1 LYS 3 62.646 7.626 -0.620 22 HG2 LYS 3 HG2 LYS 3 64.875 6.823 -1.129 23 HG3 LYS 3 HG1 LYS 3 65.540 8.473 -1.058 24 HD2 LYS 3 HD2 LYS 3 65.049 8.628 1.324 25 HD3 LYS 3 HD1 LYS 3 64.209 7.060 1.293 26 HE2 LYS 3 HE2 LYS 3 67.143 7.438 0.563 27 HE3 LYS 3 HE1 LYS 3 66.573 6.928 2.170 28 HZ1 LYS 3 HZ1 LYS 3 66.160 5.511 -0.414 29 HZ2 LYS 3 HZ2 LYS 3 65.411 5.066 1.044 30 HZ3 LYS 3 HZ3 LYS 3 67.102 4.995 0.898 31 H GLU 4 HN GLU 4 62.264 11.081 -2.424 32 HA GLU 4 HA GLU 4 60.148 11.984 -2.713 33 HB2 GLU 4 HB2 GLU 4 59.745 9.544 -4.491 34 HB3 GLU 4 HB1 GLU 4 58.772 11.033 -4.512 35 HG2 GLU 4 HG2 GLU 4 60.706 12.353 -5.190 36 HG3 GLU 4 HG1 GLU 4 61.780 10.944 -5.008 37 H LYS 5 HN LYS 5 60.595 10.160 -0.482 38 HA LYS 5 HA LYS 5 59.393 9.010 1.135 39 HB2 LYS 5 HB2 LYS 5 56.983 10.438 -0.033 40 HB3 LYS 5 HB1 LYS 5 57.235 9.918 1.651 41 HG2 LYS 5 HG2 LYS 5 58.829 12.064 0.172 42 HG3 LYS 5 HG1 LYS 5 57.598 12.351 1.423 43 HD2 LYS 5 HD2 LYS 5 59.066 10.839 2.950 44 HD3 LYS 5 HD1 LYS 5 60.340 11.071 1.728 45 HE2 LYS 5 HE2 LYS 5 60.165 13.521 1.990 46 HE3 LYS 5 HE1 LYS 5 58.875 13.307 3.197 47 HZ1 LYS 5 HZ1 LYS 5 61.748 12.667 3.405 48 HZ2 LYS 5 HZ2 LYS 5 60.624 11.813 4.352 49 HZ3 LYS 5 HZ3 LYS 5 60.753 13.501 4.496 50 H ILE 6 HN ILE 6 59.480 8.009 -1.799 51 HA ILE 6 HA ILE 6 58.553 6.262 -3.016 52 HB ILE 6 HB ILE 6 57.499 5.136 -0.387 53 HG12 ILE 6 HG12 ILE 6 60.385 5.215 -1.383 54 HG13 ILE 6 HG11 ILE 6 59.752 5.983 0.091 55 HG21 ILE 6 HG21 ILE 6 57.166 4.013 -2.693 56 HG22 ILE 6 HG22 ILE 6 57.900 3.017 -1.416 57 HG23 ILE 6 HG23 ILE 6 58.923 3.733 -2.685 58 HD11 ILE 6 HD1 ILE 6 60.083 3.023 -0.504 59 HD12 ILE 6 HD2 ILE 6 58.997 3.596 0.787 60 HD13 ILE 6 HD3 ILE 6 60.738 3.961 0.858 61 H ARG 7 HN ARG 7 57.028 8.574 -2.843 62 HA ARG 7 HA ARG 7 54.913 9.315 -3.404 63 HB2 ARG 7 HB2 ARG 7 53.910 6.442 -3.363 64 HB3 ARG 7 HB1 ARG 7 53.237 7.834 -4.230 65 HG2 ARG 7 HG2 ARG 7 55.894 6.447 -4.802 66 HG3 ARG 7 HG1 ARG 7 54.443 6.448 -5.826 67 HD2 ARG 7 HD2 ARG 7 54.681 9.033 -5.847 68 HD3 ARG 7 HD1 ARG 7 56.324 8.752 -5.220 69 HE ARG 7 HE ARG 7 55.779 7.133 -7.570 70 HH11 ARG 7 HH11 ARG 7 58.419 8.006 -7.545 71 HH12 ARG 7 HH12 ARG 7 58.462 9.456 -8.492 72 HH21 ARG 7 HH21 ARG 7 55.040 9.989 -8.315 73 HH22 ARG 7 HH22 ARG 7 56.548 10.578 -8.928 74 H LYS 8 HN LYS 8 55.642 9.535 -0.811 75 HA LYS 8 HA LYS 8 54.653 9.766 1.300 76 HB2 LYS 8 HB2 LYS 8 52.050 9.244 0.076 77 HB3 LYS 8 HB1 LYS 8 52.423 10.205 1.516 78 HG2 LYS 8 HG2 LYS 8 53.192 10.897 -1.358 79 HG3 LYS 8 HG1 LYS 8 51.972 11.723 -0.357 80 HD2 LYS 8 HD2 LYS 8 53.914 12.125 1.331 81 HD3 LYS 8 HD1 LYS 8 54.990 11.694 -0.018 82 HE2 LYS 8 HE2 LYS 8 54.682 14.131 0.055 83 HE3 LYS 8 HE1 LYS 8 53.921 13.467 -1.411 84 HZ1 LYS 8 HZ1 LYS 8 52.004 14.321 -0.746 85 HZ2 LYS 8 HZ2 LYS 8 52.727 14.940 0.661 86 HZ3 LYS 8 HZ3 LYS 8 52.044 13.385 0.666 87 H LYS 9 HN LYS 9 52.226 8.542 2.166 88 HA LYS 9 HA LYS 9 52.689 5.712 2.040 89 HB2 LYS 9 HB2 LYS 9 52.830 5.673 4.686 90 HB3 LYS 9 HB1 LYS 9 54.327 5.864 3.743 91 HG2 LYS 9 HG2 LYS 9 54.232 8.297 3.994 92 HG3 LYS 9 HG1 LYS 9 52.671 8.178 4.839 93 HD2 LYS 9 HD2 LYS 9 53.748 6.847 6.636 94 HD3 LYS 9 HD1 LYS 9 55.311 6.987 5.796 95 HE2 LYS 9 HE2 LYS 9 53.643 9.349 6.766 96 HE3 LYS 9 HE1 LYS 9 55.047 8.676 7.628 97 HZ1 LYS 9 HZ1 LYS 9 55.707 10.547 6.275 98 HZ2 LYS 9 HZ2 LYS 9 55.052 9.831 4.882 99 HZ3 LYS 9 HZ3 LYS 9 56.394 9.129 5.649 100 H LEU 10 HN LEU 10 50.756 5.988 1.062 101 HA LEU 10 HA LEU 10 48.378 6.328 1.184 102 HB2 LEU 10 HB2 LEU 10 48.577 6.345 4.197 103 HB3 LEU 10 HB1 LEU 10 47.288 5.699 3.174 104 HG LEU 10 HG LEU 10 49.994 4.430 3.729 105 HD11 LEU 10 HD11 LEU 10 48.658 2.638 4.674 106 HD12 LEU 10 HD12 LEU 10 47.153 3.414 4.127 107 HD13 LEU 10 HD13 LEU 10 48.133 4.172 5.407 108 HD21 LEU 10 HD21 LEU 10 49.070 2.570 2.233 109 HD22 LEU 10 HD22 LEU 10 49.572 4.047 1.379 110 HD23 LEU 10 HD23 LEU 10 47.847 3.736 1.680 111 H LYS 11 HN LYS 11 50.044 7.984 0.395 112 HA LYS 11 HA LYS 11 50.278 10.229 1.049 113 HB2 LYS 11 HB2 LYS 11 48.135 9.970 -0.867 114 HB3 LYS 11 HB1 LYS 11 49.200 11.357 -0.792 115 HG2 LYS 11 HG2 LYS 11 50.984 10.125 -1.726 116 HG3 LYS 11 HG1 LYS 11 50.320 8.565 -1.208 117 HD2 LYS 11 HD2 LYS 11 48.504 8.832 -2.904 118 HD3 LYS 11 HD1 LYS 11 49.290 10.334 -3.450 119 HE2 LYS 11 HE2 LYS 11 51.271 9.155 -4.129 120 HE3 LYS 11 HE1 LYS 11 50.722 7.654 -3.346 121 HZ1 LYS 11 HZ1 LYS 11 50.388 7.812 -5.827 122 HZ2 LYS 11 HZ2 LYS 11 49.193 8.979 -5.520 123 HZ3 LYS 11 HZ3 LYS 11 49.014 7.398 -4.923 124 H ASN 12 HN ASN 12 49.986 9.801 3.108 125 HA ASN 12 HA ASN 12 49.333 10.925 4.999 126 HB2 ASN 12 HB2 ASN 12 47.068 12.357 3.684 127 HB3 ASN 12 HB1 ASN 12 47.940 12.812 5.150 128 HD21 ASN 12 HD21 ASN 12 47.666 13.508 1.853 129 HD22 ASN 12 HD22 ASN 12 49.266 14.218 1.615 130 H GLU 13 HN GLU 13 47.123 9.632 2.818 131 HA GLU 13 HA GLU 13 46.569 7.416 4.389 132 HB2 GLU 13 HB2 GLU 13 44.695 9.457 5.085 133 HB3 GLU 13 HB1 GLU 13 43.833 8.285 4.070 134 HG2 GLU 13 HG2 GLU 13 43.641 7.611 6.390 135 HG3 GLU 13 HG1 GLU 13 44.682 6.450 5.531 136 H ILE 14 HN ILE 14 47.274 8.823 1.485 137 HA ILE 14 HA ILE 14 47.243 7.345 -0.402 138 HB ILE 14 HB ILE 14 44.284 6.907 0.158 139 HG12 ILE 14 HG12 ILE 14 46.299 4.719 -0.426 140 HG13 ILE 14 HG11 ILE 14 46.249 5.411 1.194 141 HG21 ILE 14 HG21 ILE 14 44.288 7.182 -2.181 142 HG22 ILE 14 HG22 ILE 14 44.615 5.448 -2.047 143 HG23 ILE 14 HG23 ILE 14 45.950 6.580 -2.342 144 HD11 ILE 14 HD1 ILE 14 43.752 4.373 -0.175 145 HD12 ILE 14 HD2 ILE 14 43.986 4.743 1.548 146 HD13 ILE 14 HD3 ILE 14 44.801 3.341 0.820 147 H LYS 15 HN LYS 15 46.468 10.072 0.970 148 HA LYS 15 HA LYS 15 46.933 11.858 -0.777 149 HB2 LYS 15 HB2 LYS 15 44.441 10.749 -1.903 150 HB3 LYS 15 HB1 LYS 15 44.826 12.453 -2.161 151 HG2 LYS 15 HG2 LYS 15 47.101 10.688 -2.836 152 HG3 LYS 15 HG1 LYS 15 45.677 10.381 -3.840 153 HD2 LYS 15 HD2 LYS 15 45.578 12.700 -4.533 154 HD3 LYS 15 HD1 LYS 15 46.847 13.159 -3.372 155 HE2 LYS 15 HE2 LYS 15 47.438 12.698 -5.952 156 HE3 LYS 15 HE1 LYS 15 48.557 12.214 -4.658 157 HZ1 LYS 15 HZ1 LYS 15 48.132 10.432 -6.272 158 HZ2 LYS 15 HZ2 LYS 15 46.483 10.449 -5.866 159 HZ3 LYS 15 HZ3 LYS 15 47.641 10.000 -4.708 160 H LYS 16 HN LYS 16 47.074 13.479 0.210 161 HA LYS 16 HA LYS 16 46.419 15.238 1.607 162 HB2 LYS 16 HB2 LYS 16 44.839 15.392 -0.341 163 HB3 LYS 16 HB1 LYS 16 43.777 14.265 0.552 164 HG2 LYS 16 HG2 LYS 16 43.030 16.635 0.851 165 HG3 LYS 16 HG1 LYS 16 43.611 15.971 2.393 166 HD2 LYS 16 HD2 LYS 16 45.589 17.254 2.359 167 HD3 LYS 16 HD1 LYS 16 45.540 17.469 0.593 168 HE2 LYS 16 HE2 LYS 16 43.522 18.937 0.877 169 HE3 LYS 16 HE1 LYS 16 43.686 18.770 2.641 170 HZ1 LYS 16 HZ1 LYS 16 45.935 19.692 2.448 171 HZ2 LYS 16 HZ2 LYS 16 44.756 20.779 1.887 172 HZ3 LYS 16 HZ3 LYS 16 45.711 19.911 0.781 173 H LYS 17 HN LYS 17 45.348 12.217 1.421 174 HA LYS 17 HA LYS 17 45.460 10.869 3.601 175 HB2 LYS 17 HB2 LYS 17 43.445 12.938 4.445 176 HB3 LYS 17 HB1 LYS 17 43.290 11.316 5.099 177 HG2 LYS 17 HG2 LYS 17 45.709 11.459 5.856 178 HG3 LYS 17 HG1 LYS 17 45.677 13.173 5.408 179 HD2 LYS 17 HD2 LYS 17 43.823 13.588 6.950 180 HD3 LYS 17 HD1 LYS 17 43.747 11.856 7.357 181 HE2 LYS 17 HE2 LYS 17 45.017 13.262 9.039 182 HE3 LYS 17 HE1 LYS 17 45.960 11.922 8.345 183 HZ1 LYS 17 HZ1 LYS 17 46.998 13.440 6.823 184 HZ2 LYS 17 HZ2 LYS 17 47.176 14.052 8.399 185 HZ3 LYS 17 HZ3 LYS 17 46.024 14.726 7.348 186 H TRP 18 HN TRP 18 44.492 10.608 0.904 187 HA TRP 18 HA TRP 18 43.492 9.073 -0.234 188 HB2 TRP 18 HB2 TRP 18 42.695 7.725 1.838 189 HB3 TRP 18 HB1 TRP 18 41.209 8.458 1.390 190 HD1 TRP 18 HD1 TRP 18 42.041 8.209 -1.881 191 HE1 TRP 18 HE1 TRP 18 41.468 5.942 -2.986 192 HE3 TRP 18 HE3 TRP 18 41.500 5.361 2.344 193 HZ2 TRP 18 HZ2 TRP 18 40.852 3.265 -2.139 194 HZ3 TRP 18 HZ3 TRP 18 40.911 2.949 2.164 195 HH2 TRP 18 HH2 TRP 18 40.586 1.898 -0.070 196 H ARG 19 HN ARG 19 43.571 11.658 -0.361 197 HA ARG 19 HA ARG 19 42.726 13.038 -2.045 198 HB2 ARG 19 HB2 ARG 19 40.233 11.520 -1.594 199 HB3 ARG 19 HB1 ARG 19 40.357 12.865 -2.729 200 HG2 ARG 19 HG2 ARG 19 42.068 10.337 -2.936 201 HG3 ARG 19 HG1 ARG 19 40.581 10.570 -3.858 202 HD2 ARG 19 HD2 ARG 19 43.205 12.067 -4.090 203 HD3 ARG 19 HD1 ARG 19 42.271 11.247 -5.356 204 HE ARG 19 HE ARG 19 40.582 13.278 -4.497 205 HH11 ARG 19 HH11 ARG 19 42.234 13.004 -7.140 206 HH12 ARG 19 HH12 ARG 19 42.946 14.582 -7.202 207 HH21 ARG 19 HH21 ARG 19 42.184 15.347 -3.908 208 HH22 ARG 19 HH22 ARG 19 42.916 15.909 -5.374 209 H LYS 20 HN LYS 20 42.322 11.993 0.777 210 HA LYS 20 HA LYS 20 42.535 13.610 2.388 211 HB2 LYS 20 HB2 LYS 20 41.170 15.422 1.344 212 HB3 LYS 20 HB1 LYS 20 39.809 14.542 1.984 213 HG2 LYS 20 HG2 LYS 20 40.310 15.179 4.219 214 HG3 LYS 20 HG1 LYS 20 42.035 15.277 3.901 215 HD2 LYS 20 HD2 LYS 20 41.766 17.390 2.739 216 HD3 LYS 20 HD1 LYS 20 39.996 17.246 2.783 217 HE2 LYS 20 HE2 LYS 20 40.045 17.339 5.259 218 HE3 LYS 20 HE1 LYS 20 41.818 17.481 5.218 219 HZ1 LYS 20 HZ1 LYS 20 40.730 19.642 5.429 220 HZ2 LYS 20 HZ2 LYS 20 39.903 19.390 3.967 221 HZ3 LYS 20 HZ3 LYS 20 41.595 19.533 3.975 222 H ALA 21 HN ALA 21 41.201 11.202 1.233 223 HA ALA 21 HA ALA 21 41.290 9.235 3.233 224 HB1 ALA 21 HB1 ALA 21 39.490 11.229 4.564 225 HB2 ALA 21 HB2 ALA 21 41.032 10.621 5.210 226 HB3 ALA 21 HB3 ALA 21 39.630 9.538 5.077 227 H VAL 22 HN VAL 22 40.353 10.275 0.839 228 HA VAL 22 HA VAL 22 38.672 9.883 -0.554 229 HB VAL 22 HB VAL 22 38.270 7.650 1.314 230 HG11 VAL 22 HG11 VAL 22 35.650 8.891 0.381 231 HG12 VAL 22 HG12 VAL 22 36.241 8.912 2.066 232 HG13 VAL 22 HG13 VAL 22 35.862 7.370 1.273 233 HG21 VAL 22 HG21 VAL 22 38.668 7.613 -1.216 234 HG22 VAL 22 HG22 VAL 22 36.934 7.967 -1.393 235 HG23 VAL 22 HG23 VAL 22 37.459 6.476 -0.580 236 H ILE 23 HN ILE 23 39.775 11.799 1.807 237 HA ILE 23 HA ILE 23 36.690 12.499 2.544 238 HB ILE 23 HB ILE 23 39.145 13.473 3.864 239 HG12 ILE 23 HG12 ILE 23 37.327 11.740 4.676 240 HG13 ILE 23 HG11 ILE 23 38.019 12.892 5.831 241 HG21 ILE 23 HG21 ILE 23 37.920 15.447 4.832 242 HG22 ILE 23 HG22 ILE 23 36.660 15.204 3.606 243 HG23 ILE 23 HG23 ILE 23 38.288 15.654 3.113 244 HD11 ILE 23 HD1 ILE 23 35.411 13.371 4.313 245 HD12 ILE 23 HD2 ILE 23 36.045 14.296 5.697 246 HD13 ILE 23 HD3 ILE 23 35.498 12.622 5.922 247 H ALA 24 HN ALA 24 38.852 12.822 0.230 248 HA ALA 24 HA ALA 24 37.148 14.635 -0.903 249 HB1 ALA 24 HB1 ALA 24 39.766 14.895 -1.924 250 HB2 ALA 24 HB2 ALA 24 39.344 15.825 -0.469 251 HB3 ALA 24 HB3 ALA 24 38.496 16.121 -2.005 252 H TRP 25 HN TRP 25 38.784 12.398 -0.787 253 HA TRP 25 HA TRP 25 38.773 10.370 -2.485 254 HB2 TRP 25 HB2 TRP 25 36.524 9.638 -3.035 255 HB3 TRP 25 HB1 TRP 25 36.542 10.275 -1.377 256 HD1 TRP 25 HD1 TRP 25 35.297 12.526 -0.889 257 HE1 TRP 25 HE1 TRP 25 33.513 13.902 -2.182 258 HE3 TRP 25 HE3 TRP 25 35.727 10.302 -5.488 259 HZ2 TRP 25 HZ2 TRP 25 32.437 14.000 -4.846 260 HZ3 TRP 25 HZ3 TRP 25 34.308 11.057 -7.388 261 HH2 TRP 25 HH2 TRP 25 32.663 12.900 -7.071 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 62.509 15.294 -2.430 2 H2 ALA 1 HT2 ALA 1 61.822 13.929 -3.172 3 H3 ALA 1 HT3 ALA 1 63.356 14.480 -3.652 4 HA ALA 1 HA ALA 1 64.083 14.077 -1.306 5 HB1 ALA 1 HB1 ALA 1 61.520 12.448 -1.382 6 HB2 ALA 1 HB2 ALA 1 61.815 13.887 -0.375 7 HB3 ALA 1 HB3 ALA 1 62.751 12.398 -0.099 8 H TRP 2 HN TRP 2 64.005 13.296 -4.286 9 HA TRP 2 HA TRP 2 65.153 11.746 -5.560 10 HB2 TRP 2 HB2 TRP 2 65.959 10.192 -3.082 11 HB3 TRP 2 HB1 TRP 2 66.849 10.423 -4.604 12 HD1 TRP 2 HD1 TRP 2 66.547 11.767 -1.171 13 HE1 TRP 2 HE1 TRP 2 67.899 13.969 -0.892 14 HE3 TRP 2 HE3 TRP 2 67.502 12.756 -6.102 15 HZ2 TRP 2 HZ2 TRP 2 69.208 15.881 -2.604 16 HZ3 TRP 2 HZ3 TRP 2 68.804 14.776 -6.756 17 HH2 TRP 2 HH2 TRP 2 69.657 16.338 -5.012 18 H LYS 3 HN LYS 3 64.164 9.701 -2.775 19 HA LYS 3 HA LYS 3 63.032 7.714 -4.582 20 HB2 LYS 3 HB2 LYS 3 62.310 6.594 -2.492 21 HB3 LYS 3 HB1 LYS 3 64.027 7.064 -2.432 22 HG2 LYS 3 HG2 LYS 3 63.299 9.195 -1.247 23 HG3 LYS 3 HG1 LYS 3 61.670 8.486 -1.128 24 HD2 LYS 3 HD2 LYS 3 62.614 6.530 0.076 25 HD3 LYS 3 HD1 LYS 3 64.235 7.258 -0.023 26 HE2 LYS 3 HE2 LYS 3 63.355 7.804 2.156 27 HE3 LYS 3 HE1 LYS 3 63.278 9.291 1.180 28 HZ1 LYS 3 HZ1 LYS 3 61.129 7.630 2.217 29 HZ2 LYS 3 HZ2 LYS 3 60.913 8.178 0.624 30 HZ3 LYS 3 HZ3 LYS 3 61.156 9.293 1.883 31 H GLU 4 HN GLU 4 61.983 10.708 -3.954 32 HA GLU 4 HA GLU 4 59.901 11.740 -3.942 33 HB2 GLU 4 HB2 GLU 4 58.986 9.199 -5.341 34 HB3 GLU 4 HB1 GLU 4 58.252 10.817 -5.452 35 HG2 GLU 4 HG2 GLU 4 60.372 11.688 -6.438 36 HG3 GLU 4 HG1 GLU 4 61.056 10.045 -6.377 37 H LYS 5 HN LYS 5 60.537 10.250 -1.579 38 HA LYS 5 HA LYS 5 59.505 9.410 0.325 39 HB2 LYS 5 HB2 LYS 5 57.007 10.666 -0.871 40 HB3 LYS 5 HB1 LYS 5 57.324 10.327 0.849 41 HG2 LYS 5 HG2 LYS 5 59.212 11.922 0.831 42 HG3 LYS 5 HG1 LYS 5 58.931 12.249 -0.896 43 HD2 LYS 5 HD2 LYS 5 56.756 13.202 -0.440 44 HD3 LYS 5 HD1 LYS 5 56.823 12.680 1.260 45 HE2 LYS 5 HE2 LYS 5 58.667 14.198 1.716 46 HE3 LYS 5 HE1 LYS 5 58.804 14.619 -0.009 47 HZ1 LYS 5 HZ1 LYS 5 57.391 16.039 1.745 48 HZ2 LYS 5 HZ2 LYS 5 56.177 14.983 1.196 49 HZ3 LYS 5 HZ3 LYS 5 57.018 15.965 0.092 50 H ILE 6 HN ILE 6 59.663 7.656 -1.972 51 HA ILE 6 HA ILE 6 58.609 5.803 -2.945 52 HB ILE 6 HB ILE 6 57.923 4.089 -1.262 53 HG12 ILE 6 HG12 ILE 6 58.512 6.256 0.814 54 HG13 ILE 6 HG11 ILE 6 56.871 5.759 0.349 55 HG21 ILE 6 HG21 ILE 6 60.345 4.624 -1.873 56 HG22 ILE 6 HG22 ILE 6 60.116 3.820 -0.305 57 HG23 ILE 6 HG23 ILE 6 60.432 5.570 -0.368 58 HD11 ILE 6 HD1 ILE 6 57.639 3.346 0.940 59 HD12 ILE 6 HD2 ILE 6 57.354 4.474 2.286 60 HD13 ILE 6 HD3 ILE 6 59.015 4.131 1.752 61 H ARG 7 HN ARG 7 56.992 8.066 -3.053 62 HA ARG 7 HA ARG 7 54.843 8.576 -3.729 63 HB2 ARG 7 HB2 ARG 7 53.913 5.775 -2.982 64 HB3 ARG 7 HB1 ARG 7 53.137 6.941 -4.065 65 HG2 ARG 7 HG2 ARG 7 55.241 6.816 -5.528 66 HG3 ARG 7 HG1 ARG 7 55.739 5.424 -4.538 67 HD2 ARG 7 HD2 ARG 7 53.587 4.288 -5.092 68 HD3 ARG 7 HD1 ARG 7 53.155 5.660 -6.139 69 HE ARG 7 HE ARG 7 55.700 4.737 -6.983 70 HH11 ARG 7 HH11 ARG 7 55.593 2.191 -7.296 71 HH12 ARG 7 HH12 ARG 7 54.323 1.747 -8.388 72 HH21 ARG 7 HH21 ARG 7 52.694 4.798 -8.151 73 HH22 ARG 7 HH22 ARG 7 52.682 3.223 -8.872 74 H LYS 8 HN LYS 8 55.618 9.419 -1.216 75 HA LYS 8 HA LYS 8 54.553 9.989 0.848 76 HB2 LYS 8 HB2 LYS 8 52.509 9.866 -1.189 77 HB3 LYS 8 HB1 LYS 8 51.909 9.454 0.409 78 HG2 LYS 8 HG2 LYS 8 51.693 11.889 0.035 79 HG3 LYS 8 HG1 LYS 8 52.906 11.597 1.297 80 HD2 LYS 8 HD2 LYS 8 54.717 12.009 -0.233 81 HD3 LYS 8 HD1 LYS 8 53.642 11.896 -1.644 82 HE2 LYS 8 HE2 LYS 8 53.367 14.027 0.515 83 HE3 LYS 8 HE1 LYS 8 54.292 14.262 -0.987 84 HZ1 LYS 8 HZ1 LYS 8 51.942 15.047 -1.068 85 HZ2 LYS 8 HZ2 LYS 8 51.436 13.432 -0.919 86 HZ3 LYS 8 HZ3 LYS 8 52.339 13.920 -2.273 87 H LYS 9 HN LYS 9 52.373 8.922 2.138 88 HA LYS 9 HA LYS 9 52.978 6.054 2.367 89 HB2 LYS 9 HB2 LYS 9 53.359 8.069 4.595 90 HB3 LYS 9 HB1 LYS 9 53.035 6.350 4.922 91 HG2 LYS 9 HG2 LYS 9 55.075 5.654 3.890 92 HG3 LYS 9 HG1 LYS 9 55.322 7.238 3.122 93 HD2 LYS 9 HD2 LYS 9 56.799 6.913 5.108 94 HD3 LYS 9 HD1 LYS 9 55.687 8.287 5.309 95 HE2 LYS 9 HE2 LYS 9 55.929 6.655 7.306 96 HE3 LYS 9 HE1 LYS 9 54.279 7.076 6.794 97 HZ1 LYS 9 HZ1 LYS 9 54.508 4.698 7.118 98 HZ2 LYS 9 HZ2 LYS 9 55.792 4.632 6.008 99 HZ3 LYS 9 HZ3 LYS 9 54.227 5.032 5.479 100 H LEU 10 HN LEU 10 51.019 6.208 1.155 101 HA LEU 10 HA LEU 10 48.606 6.492 1.184 102 HB2 LEU 10 HB2 LEU 10 48.780 6.383 4.212 103 HB3 LEU 10 HB1 LEU 10 47.505 5.752 3.157 104 HG LEU 10 HG LEU 10 50.291 4.562 3.450 105 HD11 LEU 10 HD11 LEU 10 47.589 3.489 4.355 106 HD12 LEU 10 HD12 LEU 10 48.750 4.303 5.431 107 HD13 LEU 10 HD13 LEU 10 49.186 2.765 4.650 108 HD21 LEU 10 HD21 LEU 10 49.283 2.685 2.130 109 HD22 LEU 10 HD22 LEU 10 49.369 4.198 1.199 110 HD23 LEU 10 HD23 LEU 10 47.820 3.668 1.897 111 H LYS 11 HN LYS 11 49.924 8.132 0.314 112 HA LYS 11 HA LYS 11 50.389 10.386 1.124 113 HB2 LYS 11 HB2 LYS 11 48.140 10.511 -0.639 114 HB3 LYS 11 HB1 LYS 11 49.568 11.471 -0.774 115 HG2 LYS 11 HG2 LYS 11 50.480 8.841 -1.161 116 HG3 LYS 11 HG1 LYS 11 48.877 8.773 -1.879 117 HD2 LYS 11 HD2 LYS 11 49.380 10.603 -3.383 118 HD3 LYS 11 HD1 LYS 11 50.935 10.917 -2.577 119 HE2 LYS 11 HE2 LYS 11 51.739 8.673 -3.239 120 HE3 LYS 11 HE1 LYS 11 50.184 8.349 -4.041 121 HZ1 LYS 11 HZ1 LYS 11 52.415 9.673 -5.082 122 HZ2 LYS 11 HZ2 LYS 11 51.177 10.826 -4.931 123 HZ3 LYS 11 HZ3 LYS 11 50.916 9.407 -5.829 124 H ASN 12 HN ASN 12 50.115 10.093 3.167 125 HA ASN 12 HA ASN 12 49.308 11.206 5.030 126 HB2 ASN 12 HB2 ASN 12 47.011 12.507 3.633 127 HB3 ASN 12 HB1 ASN 12 47.878 13.061 5.073 128 HD21 ASN 12 HD21 ASN 12 50.423 13.321 4.569 129 HD22 ASN 12 HD22 ASN 12 50.760 14.202 3.076 130 H GLU 13 HN GLU 13 47.364 9.652 2.801 131 HA GLU 13 HA GLU 13 46.798 7.494 4.355 132 HB2 GLU 13 HB2 GLU 13 44.875 9.472 5.085 133 HB3 GLU 13 HB1 GLU 13 44.030 8.291 4.067 134 HG2 GLU 13 HG2 GLU 13 45.743 7.598 6.481 135 HG3 GLU 13 HG1 GLU 13 43.966 7.703 6.483 136 H ILE 14 HN ILE 14 47.407 8.938 1.494 137 HA ILE 14 HA ILE 14 47.450 7.528 -0.428 138 HB ILE 14 HB ILE 14 44.523 6.919 0.128 139 HG12 ILE 14 HG12 ILE 14 46.644 4.847 -0.483 140 HG13 ILE 14 HG11 ILE 14 46.551 5.512 1.143 141 HG21 ILE 14 HG21 ILE 14 44.495 7.222 -2.203 142 HG22 ILE 14 HG22 ILE 14 44.934 5.511 -2.099 143 HG23 ILE 14 HG23 ILE 14 46.192 6.731 -2.378 144 HD11 ILE 14 HD1 ILE 14 44.178 4.276 -0.287 145 HD12 ILE 14 HD2 ILE 14 44.258 4.793 1.411 146 HD13 ILE 14 HD3 ILE 14 45.223 3.407 0.858 147 H LYS 15 HN LYS 15 46.498 10.202 0.996 148 HA LYS 15 HA LYS 15 46.830 12.059 -0.753 149 HB2 LYS 15 HB2 LYS 15 44.418 10.773 -1.833 150 HB3 LYS 15 HB1 LYS 15 44.651 12.508 -2.083 151 HG2 LYS 15 HG2 LYS 15 47.063 10.884 -2.805 152 HG3 LYS 15 HG1 LYS 15 45.639 10.538 -3.809 153 HD2 LYS 15 HD2 LYS 15 45.404 12.980 -4.281 154 HD3 LYS 15 HD1 LYS 15 46.868 13.289 -3.317 155 HE2 LYS 15 HE2 LYS 15 48.256 12.091 -4.855 156 HE3 LYS 15 HE1 LYS 15 46.853 11.363 -5.673 157 HZ1 LYS 15 HZ1 LYS 15 47.698 13.166 -6.986 158 HZ2 LYS 15 HZ2 LYS 15 47.618 14.241 -5.672 159 HZ3 LYS 15 HZ3 LYS 15 46.190 13.621 -6.355 160 H LYS 16 HN LYS 16 46.906 13.708 0.201 161 HA LYS 16 HA LYS 16 46.114 15.380 1.659 162 HB2 LYS 16 HB2 LYS 16 44.534 15.522 -0.251 163 HB3 LYS 16 HB1 LYS 16 43.585 14.218 0.519 164 HG2 LYS 16 HG2 LYS 16 42.606 16.505 0.925 165 HG3 LYS 16 HG1 LYS 16 43.100 15.715 2.439 166 HD2 LYS 16 HD2 LYS 16 44.998 17.107 2.704 167 HD3 LYS 16 HD1 LYS 16 45.037 17.551 0.981 168 HE2 LYS 16 HE2 LYS 16 44.203 19.505 1.988 169 HE3 LYS 16 HE1 LYS 16 42.696 18.690 1.523 170 HZ1 LYS 16 HZ1 LYS 16 42.220 19.030 3.685 171 HZ2 LYS 16 HZ2 LYS 16 43.848 19.136 4.159 172 HZ3 LYS 16 HZ3 LYS 16 43.126 17.616 3.921 173 H LYS 17 HN LYS 17 45.253 12.288 1.466 174 HA LYS 17 HA LYS 17 45.434 10.936 3.623 175 HB2 LYS 17 HB2 LYS 17 43.293 12.866 4.508 176 HB3 LYS 17 HB1 LYS 17 43.309 11.238 5.179 177 HG2 LYS 17 HG2 LYS 17 45.679 11.560 5.898 178 HG3 LYS 17 HG1 LYS 17 45.586 13.246 5.362 179 HD2 LYS 17 HD2 LYS 17 43.657 13.616 6.888 180 HD3 LYS 17 HD1 LYS 17 43.816 11.937 7.460 181 HE2 LYS 17 HE2 LYS 17 46.173 12.441 8.157 182 HE3 LYS 17 HE1 LYS 17 45.914 14.139 7.690 183 HZ1 LYS 17 HZ1 LYS 17 44.652 12.601 9.878 184 HZ2 LYS 17 HZ2 LYS 17 43.886 13.976 9.237 185 HZ3 LYS 17 HZ3 LYS 17 45.426 14.109 9.942 186 H TRP 18 HN TRP 18 44.516 10.549 0.962 187 HA TRP 18 HA TRP 18 43.537 8.983 -0.127 188 HB2 TRP 18 HB2 TRP 18 42.867 7.594 1.977 189 HB3 TRP 18 HB1 TRP 18 41.324 8.207 1.505 190 HD1 TRP 18 HD1 TRP 18 42.273 7.915 -1.765 191 HE1 TRP 18 HE1 TRP 18 41.824 5.587 -2.801 192 HE3 TRP 18 HE3 TRP 18 41.730 5.193 2.545 193 HZ2 TRP 18 HZ2 TRP 18 41.293 2.917 -1.875 194 HZ3 TRP 18 HZ3 TRP 18 41.244 2.754 2.437 195 HH2 TRP 18 HH2 TRP 18 41.025 1.615 0.234 196 H ARG 19 HN ARG 19 43.398 11.588 -0.304 197 HA ARG 19 HA ARG 19 42.228 12.952 -1.696 198 HB2 ARG 19 HB2 ARG 19 40.113 10.773 -1.959 199 HB3 ARG 19 HB1 ARG 19 40.320 12.215 -2.965 200 HG2 ARG 19 HG2 ARG 19 42.449 10.060 -2.843 201 HG3 ARG 19 HG1 ARG 19 41.086 9.953 -3.969 202 HD2 ARG 19 HD2 ARG 19 43.054 12.277 -3.804 203 HD3 ARG 19 HD1 ARG 19 43.055 11.004 -5.045 204 HE ARG 19 HE ARG 19 40.488 12.383 -4.847 205 HH11 ARG 19 HH11 ARG 19 40.576 11.902 -7.429 206 HH12 ARG 19 HH12 ARG 19 41.521 13.120 -8.219 207 HH21 ARG 19 HH21 ARG 19 43.056 14.197 -5.302 208 HH22 ARG 19 HH22 ARG 19 42.924 14.419 -7.014 209 H LYS 20 HN LYS 20 42.603 13.148 0.435 210 HA LYS 20 HA LYS 20 42.263 13.489 2.471 211 HB2 LYS 20 HB2 LYS 20 40.739 15.357 1.649 212 HB3 LYS 20 HB1 LYS 20 39.547 14.308 2.321 213 HG2 LYS 20 HG2 LYS 20 40.055 14.814 4.514 214 HG3 LYS 20 HG1 LYS 20 41.789 14.852 4.190 215 HD2 LYS 20 HD2 LYS 20 41.251 17.090 4.758 216 HD3 LYS 20 HD1 LYS 20 41.349 17.120 2.990 217 HE2 LYS 20 HE2 LYS 20 38.974 17.143 2.754 218 HE3 LYS 20 HE1 LYS 20 38.722 16.717 4.467 219 HZ1 LYS 20 HZ1 LYS 20 40.322 19.026 4.306 220 HZ2 LYS 20 HZ2 LYS 20 38.772 18.853 4.979 221 HZ3 LYS 20 HZ3 LYS 20 38.948 19.260 3.339 222 H ALA 21 HN ALA 21 41.220 11.112 1.238 223 HA ALA 21 HA ALA 21 41.185 9.119 3.160 224 HB1 ALA 21 HB1 ALA 21 39.164 10.950 4.390 225 HB2 ALA 21 HB2 ALA 21 40.735 10.499 5.122 226 HB3 ALA 21 HB3 ALA 21 39.462 9.278 4.915 227 H VAL 22 HN VAL 22 40.286 10.073 0.692 228 HA VAL 22 HA VAL 22 38.698 9.530 -0.778 229 HB VAL 22 HB VAL 22 36.907 8.173 1.285 230 HG11 VAL 22 HG11 VAL 22 36.066 6.990 -0.632 231 HG12 VAL 22 HG12 VAL 22 37.432 7.526 -1.640 232 HG13 VAL 22 HG13 VAL 22 36.211 8.701 -1.097 233 HG21 VAL 22 HG21 VAL 22 38.059 5.958 0.442 234 HG22 VAL 22 HG22 VAL 22 38.851 6.878 1.734 235 HG23 VAL 22 HG23 VAL 22 39.441 7.011 0.061 236 H ILE 23 HN ILE 23 39.609 11.613 1.670 237 HA ILE 23 HA ILE 23 36.503 12.461 1.742 238 HB ILE 23 HB ILE 23 38.590 13.144 3.773 239 HG12 ILE 23 HG12 ILE 23 35.656 12.434 4.093 240 HG13 ILE 23 HG11 ILE 23 36.907 11.192 3.932 241 HG21 ILE 23 HG21 ILE 23 37.562 15.318 2.991 242 HG22 ILE 23 HG22 ILE 23 37.152 14.914 4.663 243 HG23 ILE 23 HG23 ILE 23 35.970 14.640 3.364 244 HD11 ILE 23 HD1 ILE 23 36.661 11.452 6.275 245 HD12 ILE 23 HD2 ILE 23 36.527 13.220 6.160 246 HD13 ILE 23 HD3 ILE 23 38.099 12.427 5.909 247 H ALA 24 HN ALA 24 39.537 13.333 0.733 248 HA ALA 24 HA ALA 24 38.550 15.554 -0.566 249 HB1 ALA 24 HB1 ALA 24 41.224 14.955 -0.344 250 HB2 ALA 24 HB2 ALA 24 40.594 16.313 -1.254 251 HB3 ALA 24 HB3 ALA 24 40.838 14.747 -2.044 252 H TRP 25 HN TRP 25 38.960 12.816 -0.577 253 HA TRP 25 HA TRP 25 37.890 11.006 -1.979 254 HB2 TRP 25 HB2 TRP 25 35.907 12.205 -1.158 255 HB3 TRP 25 HB1 TRP 25 35.974 13.258 -2.579 256 HD1 TRP 25 HD1 TRP 25 36.845 9.752 -3.553 257 HE1 TRP 25 HE1 TRP 25 34.838 8.589 -4.700 258 HE3 TRP 25 HE3 TRP 25 33.163 13.123 -2.377 259 HZ2 TRP 25 HZ2 TRP 25 32.025 9.068 -5.053 260 HZ3 TRP 25 HZ3 TRP 25 30.823 12.742 -3.136 261 HH2 TRP 25 HH2 TRP 25 30.251 10.719 -4.471 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 62.364 13.869 -5.465 2 H2 ALA 1 HT2 ALA 1 63.056 14.199 -6.981 3 H3 ALA 1 HT3 ALA 1 63.004 15.405 -5.786 4 HA ALA 1 HA ALA 1 65.142 14.746 -5.623 5 HB1 ALA 1 HB1 ALA 1 63.509 12.967 -3.783 6 HB2 ALA 1 HB2 ALA 1 64.145 14.592 -3.432 7 HB3 ALA 1 HB3 ALA 1 65.262 13.220 -3.629 8 H TRP 2 HN TRP 2 63.619 11.558 -5.092 9 HA TRP 2 HA TRP 2 64.609 10.413 -7.554 10 HB2 TRP 2 HB2 TRP 2 66.766 10.788 -6.242 11 HB3 TRP 2 HB1 TRP 2 66.158 9.602 -5.064 12 HD1 TRP 2 HD1 TRP 2 66.081 7.076 -5.779 13 HE1 TRP 2 HE1 TRP 2 67.104 5.731 -7.755 14 HE3 TRP 2 HE3 TRP 2 67.404 10.982 -8.814 15 HZ2 TRP 2 HZ2 TRP 2 68.327 6.306 -10.298 16 HZ3 TRP 2 HZ3 TRP 2 68.499 10.560 -11.009 17 HH2 TRP 2 HH2 TRP 2 68.962 8.229 -11.753 18 H LYS 3 HN LYS 3 62.591 10.545 -5.040 19 HA LYS 3 HA LYS 3 61.483 7.891 -5.593 20 HB2 LYS 3 HB2 LYS 3 61.518 7.229 -3.134 21 HB3 LYS 3 HB1 LYS 3 63.089 7.146 -3.969 22 HG2 LYS 3 HG2 LYS 3 63.831 9.210 -2.992 23 HG3 LYS 3 HG1 LYS 3 62.198 9.602 -2.407 24 HD2 LYS 3 HD2 LYS 3 63.558 8.782 -0.540 25 HD3 LYS 3 HD1 LYS 3 62.280 7.602 -0.911 26 HE2 LYS 3 HE2 LYS 3 63.801 6.111 -1.965 27 HE3 LYS 3 HE1 LYS 3 65.052 7.366 -2.139 28 HZ1 LYS 3 HZ1 LYS 3 64.229 6.936 0.586 29 HZ2 LYS 3 HZ2 LYS 3 65.790 6.998 -0.084 30 HZ3 LYS 3 HZ3 LYS 3 64.901 5.550 -0.126 31 H GLU 4 HN GLU 4 61.488 11.030 -4.099 32 HA GLU 4 HA GLU 4 59.773 12.347 -3.270 33 HB2 GLU 4 HB2 GLU 4 59.015 11.830 -5.676 34 HB3 GLU 4 HB1 GLU 4 57.901 10.645 -4.957 35 HG2 GLU 4 HG2 GLU 4 56.868 12.421 -3.587 36 HG3 GLU 4 HG1 GLU 4 58.015 13.613 -4.246 37 H LYS 5 HN LYS 5 60.441 10.640 -1.387 38 HA LYS 5 HA LYS 5 59.667 9.521 0.500 39 HB2 LYS 5 HB2 LYS 5 56.947 10.659 -0.221 40 HB3 LYS 5 HB1 LYS 5 57.567 10.246 1.397 41 HG2 LYS 5 HG2 LYS 5 58.557 12.484 -0.424 42 HG3 LYS 5 HG1 LYS 5 57.668 12.670 1.107 43 HD2 LYS 5 HD2 LYS 5 59.643 11.340 2.179 44 HD3 LYS 5 HD1 LYS 5 60.520 11.702 0.672 45 HE2 LYS 5 HE2 LYS 5 60.023 14.143 1.034 46 HE3 LYS 5 HE1 LYS 5 59.312 13.720 2.610 47 HZ1 LYS 5 HZ1 LYS 5 61.402 14.012 3.333 48 HZ2 LYS 5 HZ2 LYS 5 62.093 13.817 1.793 49 HZ3 LYS 5 HZ3 LYS 5 61.675 12.455 2.718 50 H ILE 6 HN ILE 6 59.481 8.242 -2.217 51 HA ILE 6 HA ILE 6 58.570 6.326 -3.151 52 HB ILE 6 HB ILE 6 57.682 5.469 -0.365 53 HG12 ILE 6 HG12 ILE 6 60.528 5.551 -1.472 54 HG13 ILE 6 HG11 ILE 6 59.911 6.465 -0.077 55 HG21 ILE 6 HG21 ILE 6 58.128 3.268 -1.160 56 HG22 ILE 6 HG22 ILE 6 59.107 3.861 -2.523 57 HG23 ILE 6 HG23 ILE 6 57.343 4.076 -2.533 58 HD11 ILE 6 HD1 ILE 6 59.287 4.162 0.934 59 HD12 ILE 6 HD2 ILE 6 61.014 4.586 0.879 60 HD13 ILE 6 HD3 ILE 6 60.334 3.467 -0.327 61 H ARG 7 HN ARG 7 56.959 8.676 -2.954 62 HA ARG 7 HA ARG 7 54.802 9.300 -3.482 63 HB2 ARG 7 HB2 ARG 7 53.967 6.377 -3.364 64 HB3 ARG 7 HB1 ARG 7 53.150 7.718 -4.188 65 HG2 ARG 7 HG2 ARG 7 55.075 7.986 -5.715 66 HG3 ARG 7 HG1 ARG 7 55.924 6.656 -4.892 67 HD2 ARG 7 HD2 ARG 7 54.761 5.926 -6.994 68 HD3 ARG 7 HD1 ARG 7 54.181 5.074 -5.542 69 HE ARG 7 HE ARG 7 52.496 7.313 -5.873 70 HH11 ARG 7 HH11 ARG 7 52.409 4.079 -6.329 71 HH12 ARG 7 HH12 ARG 7 51.355 4.078 -7.703 72 HH21 ARG 7 HH21 ARG 7 51.572 7.502 -8.206 73 HH22 ARG 7 HH22 ARG 7 50.881 6.016 -8.765 74 H LYS 8 HN LYS 8 55.558 9.654 -0.947 75 HA LYS 8 HA LYS 8 54.631 9.933 1.178 76 HB2 LYS 8 HB2 LYS 8 52.023 9.274 0.033 77 HB3 LYS 8 HB1 LYS 8 52.394 10.314 1.422 78 HG2 LYS 8 HG2 LYS 8 53.090 10.891 -1.495 79 HG3 LYS 8 HG1 LYS 8 51.864 11.729 -0.512 80 HD2 LYS 8 HD2 LYS 8 53.823 12.270 1.117 81 HD3 LYS 8 HD1 LYS 8 54.888 11.802 -0.230 82 HE2 LYS 8 HE2 LYS 8 53.825 13.486 -1.684 83 HE3 LYS 8 HE1 LYS 8 52.717 13.940 -0.367 84 HZ1 LYS 8 HZ1 LYS 8 55.495 13.962 0.398 85 HZ2 LYS 8 HZ2 LYS 8 54.294 15.139 0.628 86 HZ3 LYS 8 HZ3 LYS 8 55.140 15.061 -0.842 87 H LYS 9 HN LYS 9 52.300 8.728 2.240 88 HA LYS 9 HA LYS 9 52.870 5.883 2.288 89 HB2 LYS 9 HB2 LYS 9 53.275 7.630 4.743 90 HB3 LYS 9 HB1 LYS 9 53.038 5.873 4.820 91 HG2 LYS 9 HG2 LYS 9 55.327 7.247 3.334 92 HG3 LYS 9 HG1 LYS 9 55.445 6.568 4.967 93 HD2 LYS 9 HD2 LYS 9 54.564 4.349 3.863 94 HD3 LYS 9 HD1 LYS 9 55.056 5.109 2.331 95 HE2 LYS 9 HE2 LYS 9 56.913 3.773 3.136 96 HE3 LYS 9 HE1 LYS 9 57.341 5.489 3.329 97 HZ1 LYS 9 HZ1 LYS 9 57.715 3.878 5.287 98 HZ2 LYS 9 HZ2 LYS 9 56.040 4.014 5.534 99 HZ3 LYS 9 HZ3 LYS 9 57.027 5.395 5.603 100 H LEU 10 HN LEU 10 50.916 5.990 1.252 101 HA LEU 10 HA LEU 10 48.524 6.271 1.333 102 HB2 LEU 10 HB2 LEU 10 48.724 6.451 4.345 103 HB3 LEU 10 HB1 LEU 10 47.439 5.742 3.363 104 HG LEU 10 HG LEU 10 50.203 4.528 3.742 105 HD11 LEU 10 HD11 LEU 10 48.936 2.798 5.014 106 HD12 LEU 10 HD12 LEU 10 47.466 3.789 4.854 107 HD13 LEU 10 HD13 LEU 10 48.854 4.400 5.785 108 HD21 LEU 10 HD21 LEU 10 49.139 2.562 2.614 109 HD22 LEU 10 HD22 LEU 10 49.237 3.981 1.546 110 HD23 LEU 10 HD23 LEU 10 47.690 3.548 2.314 111 H LYS 11 HN LYS 11 50.071 7.965 0.438 112 HA LYS 11 HA LYS 11 50.260 10.255 0.998 113 HB2 LYS 11 HB2 LYS 11 48.084 9.840 -0.856 114 HB3 LYS 11 HB1 LYS 11 49.103 11.262 -0.863 115 HG2 LYS 11 HG2 LYS 11 50.903 10.044 -1.787 116 HG3 LYS 11 HG1 LYS 11 50.284 8.486 -1.208 117 HD2 LYS 11 HD2 LYS 11 48.428 8.657 -2.865 118 HD3 LYS 11 HD1 LYS 11 49.146 10.175 -3.465 119 HE2 LYS 11 HE2 LYS 11 51.177 9.030 -4.125 120 HE3 LYS 11 HE1 LYS 11 50.626 7.517 -3.365 121 HZ1 LYS 11 HZ1 LYS 11 49.760 7.031 -5.342 122 HZ2 LYS 11 HZ2 LYS 11 49.982 8.607 -5.936 123 HZ3 LYS 11 HZ3 LYS 11 48.587 8.220 -5.046 124 H ASN 12 HN ASN 12 50.007 9.922 3.090 125 HA ASN 12 HA ASN 12 49.326 11.078 4.942 126 HB2 ASN 12 HB2 ASN 12 47.038 12.424 3.557 127 HB3 ASN 12 HB1 ASN 12 47.852 12.919 5.044 128 HD21 ASN 12 HD21 ASN 12 50.564 12.217 3.868 129 HD22 ASN 12 HD22 ASN 12 50.907 13.543 2.752 130 H GLU 13 HN GLU 13 47.151 9.623 2.826 131 HA GLU 13 HA GLU 13 46.650 7.476 4.506 132 HB2 GLU 13 HB2 GLU 13 44.743 9.524 5.104 133 HB3 GLU 13 HB1 GLU 13 43.892 8.287 4.161 134 HG2 GLU 13 HG2 GLU 13 44.755 6.548 5.716 135 HG3 GLU 13 HG1 GLU 13 45.521 7.828 6.686 136 H ILE 14 HN ILE 14 47.337 8.733 1.554 137 HA ILE 14 HA ILE 14 47.319 7.214 -0.286 138 HB ILE 14 HB ILE 14 44.386 6.674 0.308 139 HG12 ILE 14 HG12 ILE 14 46.491 4.545 -0.146 140 HG13 ILE 14 HG11 ILE 14 46.402 5.326 1.431 141 HG21 ILE 14 HG21 ILE 14 44.358 6.805 -2.032 142 HG22 ILE 14 HG22 ILE 14 44.810 5.107 -1.816 143 HG23 ILE 14 HG23 ILE 14 46.060 6.316 -2.172 144 HD11 ILE 14 HD1 ILE 14 44.061 4.679 1.689 145 HD12 ILE 14 HD2 ILE 14 45.057 3.245 1.354 146 HD13 ILE 14 HD3 ILE 14 44.062 3.955 0.066 147 H LYS 15 HN LYS 15 46.472 9.949 0.974 148 HA LYS 15 HA LYS 15 46.823 11.664 -0.886 149 HB2 LYS 15 HB2 LYS 15 44.333 10.417 -1.816 150 HB3 LYS 15 HB1 LYS 15 44.575 12.136 -2.136 151 HG2 LYS 15 HG2 LYS 15 46.904 10.433 -2.913 152 HG3 LYS 15 HG1 LYS 15 45.431 10.114 -3.847 153 HD2 LYS 15 HD2 LYS 15 45.261 12.458 -4.489 154 HD3 LYS 15 HD1 LYS 15 46.610 12.896 -3.415 155 HE2 LYS 15 HE2 LYS 15 47.070 12.536 -5.994 156 HE3 LYS 15 HE1 LYS 15 48.219 11.883 -4.804 157 HZ1 LYS 15 HZ1 LYS 15 47.460 10.320 -6.615 158 HZ2 LYS 15 HZ2 LYS 15 45.940 10.299 -5.859 159 HZ3 LYS 15 HZ3 LYS 15 47.312 9.741 -5.028 160 H LYS 16 HN LYS 16 46.993 13.390 -0.060 161 HA LYS 16 HA LYS 16 46.297 15.186 1.306 162 HB2 LYS 16 HB2 LYS 16 44.718 15.180 -0.635 163 HB3 LYS 16 HB1 LYS 16 43.697 14.052 0.300 164 HG2 LYS 16 HG2 LYS 16 42.881 16.444 0.422 165 HG3 LYS 16 HG1 LYS 16 43.349 15.821 2.019 166 HD2 LYS 16 HD2 LYS 16 45.294 17.139 2.125 167 HD3 LYS 16 HD1 LYS 16 45.429 17.270 0.356 168 HE2 LYS 16 HE2 LYS 16 43.347 18.656 2.105 169 HE3 LYS 16 HE1 LYS 16 44.747 19.425 1.327 170 HZ1 LYS 16 HZ1 LYS 16 43.310 19.795 -0.331 171 HZ2 LYS 16 HZ2 LYS 16 42.217 18.600 0.186 172 HZ3 LYS 16 HZ3 LYS 16 43.574 18.170 -0.741 173 H LYS 17 HN LYS 17 45.311 12.125 1.346 174 HA LYS 17 HA LYS 17 45.446 10.925 3.602 175 HB2 LYS 17 HB2 LYS 17 43.409 13.005 4.386 176 HB3 LYS 17 HB1 LYS 17 43.360 11.429 5.159 177 HG2 LYS 17 HG2 LYS 17 45.863 11.770 5.712 178 HG3 LYS 17 HG1 LYS 17 45.614 13.459 5.255 179 HD2 LYS 17 HD2 LYS 17 45.154 13.603 7.535 180 HD3 LYS 17 HD1 LYS 17 43.521 13.271 6.919 181 HE2 LYS 17 HE2 LYS 17 43.982 11.805 8.825 182 HE3 LYS 17 HE1 LYS 17 43.912 10.818 7.348 183 HZ1 LYS 17 HZ1 LYS 17 45.935 10.104 7.863 184 HZ2 LYS 17 HZ2 LYS 17 46.076 11.207 9.148 185 HZ3 LYS 17 HZ3 LYS 17 46.532 11.666 7.577 186 H TRP 18 HN TRP 18 44.481 10.392 0.991 187 HA TRP 18 HA TRP 18 43.450 8.782 0.029 188 HB2 TRP 18 HB2 TRP 18 42.688 7.604 2.249 189 HB3 TRP 18 HB1 TRP 18 41.174 8.206 1.658 190 HD1 TRP 18 HD1 TRP 18 42.192 7.624 -1.525 191 HE1 TRP 18 HE1 TRP 18 41.751 5.220 -2.378 192 HE3 TRP 18 HE3 TRP 18 41.541 5.264 2.980 193 HZ2 TRP 18 HZ2 TRP 18 41.183 2.639 -1.249 194 HZ3 TRP 18 HZ3 TRP 18 41.040 2.827 3.060 195 HH2 TRP 18 HH2 TRP 18 40.860 1.513 0.952 196 H ARG 19 HN ARG 19 43.398 11.380 -0.349 197 HA ARG 19 HA ARG 19 42.262 12.688 -1.828 198 HB2 ARG 19 HB2 ARG 19 40.054 10.588 -1.904 199 HB3 ARG 19 HB1 ARG 19 40.305 11.941 -3.009 200 HG2 ARG 19 HG2 ARG 19 42.339 9.709 -2.770 201 HG3 ARG 19 HG1 ARG 19 40.951 9.586 -3.865 202 HD2 ARG 19 HD2 ARG 19 41.633 11.697 -4.973 203 HD3 ARG 19 HD1 ARG 19 43.039 11.809 -3.892 204 HE ARG 19 HE ARG 19 43.281 9.296 -5.060 205 HH11 ARG 19 HH11 ARG 19 44.212 8.909 -7.089 206 HH12 ARG 19 HH12 ARG 19 44.511 10.242 -8.153 207 HH21 ARG 19 HH21 ARG 19 43.096 12.594 -6.034 208 HH22 ARG 19 HH22 ARG 19 43.879 12.329 -7.556 209 H LYS 20 HN LYS 20 42.722 12.933 0.296 210 HA LYS 20 HA LYS 20 42.479 13.426 2.310 211 HB2 LYS 20 HB2 LYS 20 41.096 15.350 1.433 212 HB3 LYS 20 HB1 LYS 20 39.834 14.435 2.169 213 HG2 LYS 20 HG2 LYS 20 40.512 14.884 4.360 214 HG3 LYS 20 HG1 LYS 20 42.210 15.050 3.887 215 HD2 LYS 20 HD2 LYS 20 41.597 17.224 2.744 216 HD3 LYS 20 HD1 LYS 20 39.960 17.051 3.408 217 HE2 LYS 20 HE2 LYS 20 42.484 17.059 5.113 218 HE3 LYS 20 HE1 LYS 20 41.493 18.504 4.801 219 HZ1 LYS 20 HZ1 LYS 20 39.615 17.440 5.809 220 HZ2 LYS 20 HZ2 LYS 20 40.923 17.344 6.889 221 HZ3 LYS 20 HZ3 LYS 20 40.458 15.979 5.991 222 H ALA 21 HN ALA 21 41.210 11.089 1.249 223 HA ALA 21 HA ALA 21 41.100 9.198 3.287 224 HB1 ALA 21 HB1 ALA 21 39.232 11.235 4.441 225 HB2 ALA 21 HB2 ALA 21 40.774 10.701 5.181 226 HB3 ALA 21 HB3 ALA 21 39.411 9.573 5.052 227 H VAL 22 HN VAL 22 40.229 10.077 0.789 228 HA VAL 22 HA VAL 22 38.576 9.591 -0.631 229 HB VAL 22 HB VAL 22 36.747 8.442 1.524 230 HG11 VAL 22 HG11 VAL 22 37.155 7.721 -1.405 231 HG12 VAL 22 HG12 VAL 22 35.969 8.911 -0.816 232 HG13 VAL 22 HG13 VAL 22 35.823 7.201 -0.345 233 HG21 VAL 22 HG21 VAL 22 38.629 7.047 1.967 234 HG22 VAL 22 HG22 VAL 22 39.151 7.058 0.267 235 HG23 VAL 22 HG23 VAL 22 37.717 6.124 0.757 236 H ILE 23 HN ILE 23 39.676 11.712 1.683 237 HA ILE 23 HA ILE 23 36.644 12.780 1.794 238 HB ILE 23 HB ILE 23 38.845 13.431 3.702 239 HG12 ILE 23 HG12 ILE 23 36.971 11.603 3.988 240 HG13 ILE 23 HG11 ILE 23 37.382 12.657 5.352 241 HG21 ILE 23 HG21 ILE 23 38.106 15.643 3.013 242 HG22 ILE 23 HG22 ILE 23 37.368 15.283 4.582 243 HG23 ILE 23 HG23 ILE 23 36.409 15.145 3.090 244 HD11 ILE 23 HD1 ILE 23 35.084 13.236 3.421 245 HD12 ILE 23 HD2 ILE 23 35.421 14.031 4.974 246 HD13 ILE 23 HD3 ILE 23 34.896 12.336 4.940 247 H ALA 24 HN ALA 24 39.696 13.383 0.654 248 HA ALA 24 HA ALA 24 38.837 15.618 -0.712 249 HB1 ALA 24 HB1 ALA 24 41.022 14.621 -2.219 250 HB2 ALA 24 HB2 ALA 24 41.469 14.799 -0.536 251 HB3 ALA 24 HB3 ALA 24 40.927 16.204 -1.433 252 H TRP 25 HN TRP 25 39.051 12.859 -0.627 253 HA TRP 25 HA TRP 25 37.866 11.070 -1.971 254 HB2 TRP 25 HB2 TRP 25 35.948 12.327 -1.130 255 HB3 TRP 25 HB1 TRP 25 36.061 13.433 -2.505 256 HD1 TRP 25 HD1 TRP 25 36.683 9.851 -3.488 257 HE1 TRP 25 HE1 TRP 25 34.623 8.877 -4.720 258 HE3 TRP 25 HE3 TRP 25 33.291 13.560 -2.469 259 HZ2 TRP 25 HZ2 TRP 25 31.887 9.617 -5.189 260 HZ3 TRP 25 HZ3 TRP 25 30.958 13.398 -3.325 261 HH2 TRP 25 HH2 TRP 25 30.254 11.432 -4.683 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 62.277 14.708 -2.552 2 H2 ALA 1 HT2 ALA 1 63.133 16.076 -3.084 3 H3 ALA 1 HT3 ALA 1 62.597 15.976 -1.474 4 HA ALA 1 HA ALA 1 64.934 15.565 -1.599 5 HB1 ALA 1 HB1 ALA 1 63.183 13.165 -0.978 6 HB2 ALA 1 HB2 ALA 1 63.727 14.429 0.151 7 HB3 ALA 1 HB3 ALA 1 64.902 13.286 -0.540 8 H TRP 2 HN TRP 2 63.771 12.369 -2.524 9 HA TRP 2 HA TRP 2 64.805 12.465 -5.234 10 HB2 TRP 2 HB2 TRP 2 66.954 12.507 -3.965 11 HB3 TRP 2 HB1 TRP 2 66.489 10.982 -3.175 12 HD1 TRP 2 HD1 TRP 2 66.659 8.779 -4.557 13 HE1 TRP 2 HE1 TRP 2 67.657 8.158 -6.875 14 HE3 TRP 2 HE3 TRP 2 67.332 13.494 -6.435 15 HZ2 TRP 2 HZ2 TRP 2 68.610 9.547 -9.210 16 HZ3 TRP 2 HZ3 TRP 2 68.287 13.821 -8.711 17 HH2 TRP 2 HH2 TRP 2 68.926 11.854 -10.099 18 H LYS 3 HN LYS 3 64.224 10.419 -2.358 19 HA LYS 3 HA LYS 3 63.399 8.127 -3.981 20 HB2 LYS 3 HB2 LYS 3 62.908 8.660 -1.023 21 HB3 LYS 3 HB1 LYS 3 62.829 7.091 -1.851 22 HG2 LYS 3 HG2 LYS 3 65.369 8.775 -1.824 23 HG3 LYS 3 HG1 LYS 3 64.991 7.621 -0.530 24 HD2 LYS 3 HD2 LYS 3 64.741 5.833 -2.330 25 HD3 LYS 3 HD1 LYS 3 65.395 7.013 -3.489 26 HE2 LYS 3 HE2 LYS 3 67.231 5.642 -2.682 27 HE3 LYS 3 HE1 LYS 3 67.406 7.274 -1.992 28 HZ1 LYS 3 HZ1 LYS 3 66.846 4.757 -0.676 29 HZ2 LYS 3 HZ2 LYS 3 65.859 6.042 -0.165 30 HZ3 LYS 3 HZ3 LYS 3 67.550 6.174 -0.063 31 H GLU 4 HN GLU 4 62.000 11.077 -3.289 32 HA GLU 4 HA GLU 4 59.828 11.873 -3.436 33 HB2 GLU 4 HB2 GLU 4 59.251 9.258 -4.883 34 HB3 GLU 4 HB1 GLU 4 58.349 10.786 -5.015 35 HG2 GLU 4 HG2 GLU 4 61.276 10.403 -5.794 36 HG3 GLU 4 HG1 GLU 4 59.909 10.454 -6.933 37 H LYS 5 HN LYS 5 60.668 9.989 -1.206 38 HA LYS 5 HA LYS 5 59.666 8.926 0.605 39 HB2 LYS 5 HB2 LYS 5 57.306 10.629 -0.283 40 HB3 LYS 5 HB1 LYS 5 57.474 9.841 1.304 41 HG2 LYS 5 HG2 LYS 5 59.328 11.215 1.923 42 HG3 LYS 5 HG1 LYS 5 59.597 11.755 0.251 43 HD2 LYS 5 HD2 LYS 5 58.546 13.584 1.421 44 HD3 LYS 5 HD1 LYS 5 57.319 12.887 0.342 45 HE2 LYS 5 HE2 LYS 5 56.460 13.374 2.657 46 HE3 LYS 5 HE1 LYS 5 56.305 11.664 2.199 47 HZ1 LYS 5 HZ1 LYS 5 57.638 11.082 3.861 48 HZ2 LYS 5 HZ2 LYS 5 57.577 12.684 4.423 49 HZ3 LYS 5 HZ3 LYS 5 58.837 12.189 3.396 50 H ILE 6 HN ILE 6 59.611 7.512 -1.887 51 HA ILE 6 HA ILE 6 58.426 5.880 -3.047 52 HB ILE 6 HB ILE 6 59.163 4.683 -0.998 53 HG12 ILE 6 HG12 ILE 6 56.392 3.562 -1.504 54 HG13 ILE 6 HG11 ILE 6 57.482 3.721 -2.897 55 HG21 ILE 6 HG21 ILE 6 58.073 5.858 0.780 56 HG22 ILE 6 HG22 ILE 6 57.383 4.224 0.779 57 HG23 ILE 6 HG23 ILE 6 56.458 5.573 0.091 58 HD11 ILE 6 HD1 ILE 6 59.199 2.392 -1.728 59 HD12 ILE 6 HD2 ILE 6 57.668 1.490 -1.822 60 HD13 ILE 6 HD3 ILE 6 58.150 2.269 -0.297 61 H ARG 7 HN ARG 7 57.091 8.365 -2.827 62 HA ARG 7 HA ARG 7 55.039 9.257 -3.397 63 HB2 ARG 7 HB2 ARG 7 53.866 6.450 -3.455 64 HB3 ARG 7 HB1 ARG 7 53.280 7.906 -4.280 65 HG2 ARG 7 HG2 ARG 7 55.434 7.966 -5.592 66 HG3 ARG 7 HG1 ARG 7 55.864 6.400 -4.868 67 HD2 ARG 7 HD2 ARG 7 53.734 5.440 -5.770 68 HD3 ARG 7 HD1 ARG 7 53.414 6.991 -6.580 69 HE ARG 7 HE ARG 7 54.950 6.326 -8.234 70 HH11 ARG 7 HH11 ARG 7 57.507 6.214 -7.509 71 HH12 ARG 7 HH12 ARG 7 57.924 4.570 -7.161 72 HH21 ARG 7 HH21 ARG 7 54.634 3.529 -6.821 73 HH22 ARG 7 HH22 ARG 7 56.297 3.050 -6.771 74 H LYS 8 HN LYS 8 55.709 9.451 -0.841 75 HA LYS 8 HA LYS 8 54.734 9.721 1.267 76 HB2 LYS 8 HB2 LYS 8 52.121 9.262 0.043 77 HB3 LYS 8 HB1 LYS 8 52.518 10.223 1.480 78 HG2 LYS 8 HG2 LYS 8 53.290 10.875 -1.405 79 HG3 LYS 8 HG1 LYS 8 52.126 11.757 -0.385 80 HD2 LYS 8 HD2 LYS 8 54.111 12.091 1.263 81 HD3 LYS 8 HD1 LYS 8 55.147 11.594 -0.096 82 HE2 LYS 8 HE2 LYS 8 54.230 13.405 -1.491 83 HE3 LYS 8 HE1 LYS 8 53.142 13.892 -0.170 84 HZ1 LYS 8 HZ1 LYS 8 56.040 14.234 -0.427 85 HZ2 LYS 8 HZ2 LYS 8 55.422 13.949 1.130 86 HZ3 LYS 8 HZ3 LYS 8 54.877 15.282 0.226 87 H LYS 9 HN LYS 9 52.317 8.586 2.202 88 HA LYS 9 HA LYS 9 52.759 5.725 2.125 89 HB2 LYS 9 HB2 LYS 9 53.151 7.270 4.711 90 HB3 LYS 9 HB1 LYS 9 53.028 5.499 4.585 91 HG2 LYS 9 HG2 LYS 9 55.043 5.600 3.005 92 HG3 LYS 9 HG1 LYS 9 55.230 7.300 3.498 93 HD2 LYS 9 HD2 LYS 9 55.277 6.505 5.907 94 HD3 LYS 9 HD1 LYS 9 55.345 4.837 5.286 95 HE2 LYS 9 HE2 LYS 9 57.403 5.436 3.995 96 HE3 LYS 9 HE1 LYS 9 57.353 7.063 4.716 97 HZ1 LYS 9 HZ1 LYS 9 58.697 5.041 5.786 98 HZ2 LYS 9 HZ2 LYS 9 57.205 4.813 6.566 99 HZ3 LYS 9 HZ3 LYS 9 58.026 6.292 6.714 100 H LEU 10 HN LEU 10 50.834 6.000 1.075 101 HA LEU 10 HA LEU 10 48.455 6.360 1.149 102 HB2 LEU 10 HB2 LEU 10 48.628 6.370 4.167 103 HB3 LEU 10 HB1 LEU 10 47.332 5.754 3.138 104 HG LEU 10 HG LEU 10 50.022 4.445 3.677 105 HD11 LEU 10 HD11 LEU 10 47.181 3.430 4.074 106 HD12 LEU 10 HD12 LEU 10 48.132 4.222 5.353 107 HD13 LEU 10 HD13 LEU 10 48.690 2.684 4.653 108 HD21 LEU 10 HD21 LEU 10 47.851 3.788 1.639 109 HD22 LEU 10 HD22 LEU 10 49.063 2.603 2.180 110 HD23 LEU 10 HD23 LEU 10 49.578 4.077 1.329 111 H LYS 11 HN LYS 11 50.095 8.023 0.365 112 HA LYS 11 HA LYS 11 50.370 10.263 1.035 113 HB2 LYS 11 HB2 LYS 11 48.203 10.036 -0.867 114 HB3 LYS 11 HB1 LYS 11 49.272 11.423 -0.779 115 HG2 LYS 11 HG2 LYS 11 51.053 10.194 -1.720 116 HG3 LYS 11 HG1 LYS 11 50.362 8.629 -1.253 117 HD2 LYS 11 HD2 LYS 11 48.594 8.921 -2.949 118 HD3 LYS 11 HD1 LYS 11 49.302 10.495 -3.403 119 HE2 LYS 11 HE2 LYS 11 50.067 8.742 -4.950 120 HE3 LYS 11 HE1 LYS 11 51.429 9.353 -3.982 121 HZ1 LYS 11 HZ1 LYS 11 50.029 7.158 -2.748 122 HZ2 LYS 11 HZ2 LYS 11 51.695 7.381 -3.002 123 HZ3 LYS 11 HZ3 LYS 11 50.721 6.745 -4.240 124 H ASN 12 HN ASN 12 50.084 9.851 3.113 125 HA ASN 12 HA ASN 12 49.420 10.993 5.008 126 HB2 ASN 12 HB2 ASN 12 47.125 12.381 3.680 127 HB3 ASN 12 HB1 ASN 12 48.007 12.867 5.134 128 HD21 ASN 12 HD21 ASN 12 50.632 12.052 3.724 129 HD22 ASN 12 HD22 ASN 12 50.954 13.417 2.649 130 H GLU 13 HN GLU 13 47.207 9.702 2.805 131 HA GLU 13 HA GLU 13 46.642 7.476 4.354 132 HB2 GLU 13 HB2 GLU 13 44.877 9.500 5.189 133 HB3 GLU 13 HB1 GLU 13 43.921 8.506 4.074 134 HG2 GLU 13 HG2 GLU 13 44.669 6.473 5.347 135 HG3 GLU 13 HG1 GLU 13 45.431 7.562 6.531 136 H ILE 14 HN ILE 14 47.369 8.857 1.478 137 HA ILE 14 HA ILE 14 47.299 7.457 -0.432 138 HB ILE 14 HB ILE 14 44.342 6.971 0.101 139 HG12 ILE 14 HG12 ILE 14 46.409 4.808 -0.396 140 HG13 ILE 14 HG11 ILE 14 46.296 5.517 1.206 141 HG21 ILE 14 HG21 ILE 14 44.796 5.469 -2.077 142 HG22 ILE 14 HG22 ILE 14 46.075 6.668 -2.355 143 HG23 ILE 14 HG23 ILE 14 44.382 7.182 -2.240 144 HD11 ILE 14 HD1 ILE 14 43.870 4.411 -0.222 145 HD12 ILE 14 HD2 ILE 14 44.035 4.827 1.500 146 HD13 ILE 14 HD3 ILE 14 44.901 3.424 0.835 147 H LYS 15 HN LYS 15 46.627 10.140 0.931 148 HA LYS 15 HA LYS 15 47.024 11.961 -0.765 149 HB2 LYS 15 HB2 LYS 15 44.511 10.891 -1.852 150 HB3 LYS 15 HB1 LYS 15 44.893 12.596 -2.104 151 HG2 LYS 15 HG2 LYS 15 47.062 10.654 -2.850 152 HG3 LYS 15 HG1 LYS 15 45.631 10.648 -3.892 153 HD2 LYS 15 HD2 LYS 15 45.917 13.205 -4.056 154 HD3 LYS 15 HD1 LYS 15 47.502 12.975 -3.280 155 HE2 LYS 15 HE2 LYS 15 47.911 11.199 -5.162 156 HE3 LYS 15 HE1 LYS 15 46.543 11.986 -5.984 157 HZ1 LYS 15 HZ1 LYS 15 48.788 13.582 -4.908 158 HZ2 LYS 15 HZ2 LYS 15 47.682 13.980 -6.135 159 HZ3 LYS 15 HZ3 LYS 15 48.907 12.840 -6.428 160 H LYS 16 HN LYS 16 47.177 13.667 0.207 161 HA LYS 16 HA LYS 16 46.395 15.359 1.669 162 HB2 LYS 16 HB2 LYS 16 44.829 15.470 -0.308 163 HB3 LYS 16 HB1 LYS 16 43.805 14.278 0.545 164 HG2 LYS 16 HG2 LYS 16 42.867 16.510 0.939 165 HG3 LYS 16 HG1 LYS 16 43.626 15.986 2.453 166 HD2 LYS 16 HD2 LYS 16 45.496 17.430 2.156 167 HD3 LYS 16 HD1 LYS 16 45.147 17.672 0.428 168 HE2 LYS 16 HE2 LYS 16 44.491 19.671 1.662 169 HE3 LYS 16 HE1 LYS 16 43.022 18.853 1.083 170 HZ1 LYS 16 HZ1 LYS 16 42.508 19.227 3.271 171 HZ2 LYS 16 HZ2 LYS 16 44.108 19.044 3.814 172 HZ3 LYS 16 HZ3 LYS 16 43.190 17.678 3.392 173 H LYS 17 HN LYS 17 45.429 12.281 1.433 174 HA LYS 17 HA LYS 17 45.487 10.869 3.571 175 HB2 LYS 17 HB2 LYS 17 43.482 12.936 4.494 176 HB3 LYS 17 HB1 LYS 17 43.426 11.310 5.157 177 HG2 LYS 17 HG2 LYS 17 45.866 11.557 5.800 178 HG3 LYS 17 HG1 LYS 17 45.743 13.266 5.368 179 HD2 LYS 17 HD2 LYS 17 43.894 13.558 6.974 180 HD3 LYS 17 HD1 LYS 17 44.003 11.835 7.408 181 HE2 LYS 17 HE2 LYS 17 46.293 12.144 8.223 182 HE3 LYS 17 HE1 LYS 17 46.283 13.842 7.691 183 HZ1 LYS 17 HZ1 LYS 17 45.034 14.465 9.435 184 HZ2 LYS 17 HZ2 LYS 17 45.621 13.042 10.154 185 HZ3 LYS 17 HZ3 LYS 17 44.086 13.058 9.425 186 H TRP 18 HN TRP 18 44.546 10.583 0.928 187 HA TRP 18 HA TRP 18 43.455 9.269 -0.312 188 HB2 TRP 18 HB2 TRP 18 42.686 7.684 1.627 189 HB3 TRP 18 HB1 TRP 18 41.184 8.413 1.197 190 HD1 TRP 18 HD1 TRP 18 42.080 8.540 -2.050 191 HE1 TRP 18 HE1 TRP 18 41.627 6.379 -3.399 192 HE3 TRP 18 HE3 TRP 18 41.603 5.235 1.840 193 HZ2 TRP 18 HZ2 TRP 18 41.114 3.605 -2.851 194 HZ3 TRP 18 HZ3 TRP 18 41.121 2.834 1.395 195 HH2 TRP 18 HH2 TRP 18 40.875 2.016 -0.944 196 H ARG 19 HN ARG 19 43.626 11.704 -0.453 197 HA ARG 19 HA ARG 19 42.662 13.304 -1.780 198 HB2 ARG 19 HB2 ARG 19 40.348 11.424 -1.788 199 HB3 ARG 19 HB1 ARG 19 40.421 12.904 -2.759 200 HG2 ARG 19 HG2 ARG 19 42.543 10.742 -3.055 201 HG3 ARG 19 HG1 ARG 19 41.000 10.580 -3.902 202 HD2 ARG 19 HD2 ARG 19 42.613 13.145 -4.112 203 HD3 ARG 19 HD1 ARG 19 42.962 11.749 -5.158 204 HE ARG 19 HE ARG 19 40.248 12.058 -5.472 205 HH11 ARG 19 HH11 ARG 19 43.080 13.958 -5.899 206 HH12 ARG 19 HH12 ARG 19 42.309 15.122 -6.926 207 HH21 ARG 19 HH21 ARG 19 39.174 13.664 -6.673 208 HH22 ARG 19 HH22 ARG 19 40.099 14.955 -7.364 209 H LYS 20 HN LYS 20 42.790 12.525 0.860 210 HA LYS 20 HA LYS 20 42.269 13.634 2.629 211 HB2 LYS 20 HB2 LYS 20 40.906 15.328 1.258 212 HB3 LYS 20 HB1 LYS 20 39.585 14.470 1.991 213 HG2 LYS 20 HG2 LYS 20 40.088 15.300 4.174 214 HG3 LYS 20 HG1 LYS 20 41.792 15.517 3.785 215 HD2 LYS 20 HD2 LYS 20 41.354 17.489 2.503 216 HD3 LYS 20 HD1 LYS 20 39.605 17.172 2.477 217 HE2 LYS 20 HE2 LYS 20 40.280 18.956 4.128 218 HE3 LYS 20 HE1 LYS 20 39.439 17.578 4.875 219 HZ1 LYS 20 HZ1 LYS 20 41.877 18.570 5.608 220 HZ2 LYS 20 HZ2 LYS 20 42.275 17.182 4.713 221 HZ3 LYS 20 HZ3 LYS 20 41.240 17.064 6.055 222 H ALA 21 HN ALA 21 41.246 11.183 1.166 223 HA ALA 21 HA ALA 21 41.286 9.109 2.987 224 HB1 ALA 21 HB1 ALA 21 39.431 10.879 4.563 225 HB2 ALA 21 HB2 ALA 21 41.090 10.442 5.057 226 HB3 ALA 21 HB3 ALA 21 39.832 9.194 4.948 227 H VAL 22 HN VAL 22 40.155 10.233 0.675 228 HA VAL 22 HA VAL 22 38.350 9.819 -0.598 229 HB VAL 22 HB VAL 22 36.778 8.369 1.565 230 HG11 VAL 22 HG11 VAL 22 35.927 7.078 -0.318 231 HG12 VAL 22 HG12 VAL 22 37.131 7.806 -1.404 232 HG13 VAL 22 HG13 VAL 22 35.841 8.810 -0.699 233 HG21 VAL 22 HG21 VAL 22 39.310 7.282 0.292 234 HG22 VAL 22 HG22 VAL 22 37.949 6.168 0.554 235 HG23 VAL 22 HG23 VAL 22 38.671 7.016 1.931 236 H ILE 23 HN ILE 23 39.618 11.726 1.862 237 HA ILE 23 HA ILE 23 36.536 12.430 2.622 238 HB ILE 23 HB ILE 23 39.022 13.479 3.884 239 HG12 ILE 23 HG12 ILE 23 36.334 13.076 5.176 240 HG13 ILE 23 HG11 ILE 23 37.288 11.654 4.732 241 HG21 ILE 23 HG21 ILE 23 37.731 15.370 4.886 242 HG22 ILE 23 HG22 ILE 23 36.413 15.006 3.755 243 HG23 ILE 23 HG23 ILE 23 37.972 15.587 3.142 244 HD11 ILE 23 HD1 ILE 23 38.056 13.881 6.665 245 HD12 ILE 23 HD2 ILE 23 39.233 12.693 6.058 246 HD13 ILE 23 HD3 ILE 23 37.837 12.154 7.016 247 H ALA 24 HN ALA 24 38.663 12.727 0.268 248 HA ALA 24 HA ALA 24 37.015 14.520 -0.912 249 HB1 ALA 24 HB1 ALA 24 39.658 15.007 -1.835 250 HB2 ALA 24 HB2 ALA 24 39.187 15.777 -0.302 251 HB3 ALA 24 HB3 ALA 24 38.324 16.183 -1.804 252 H TRP 25 HN TRP 25 38.808 12.399 -0.817 253 HA TRP 25 HA TRP 25 38.927 10.404 -2.524 254 HB2 TRP 25 HB2 TRP 25 36.841 9.530 -2.937 255 HB3 TRP 25 HB1 TRP 25 36.372 10.791 -1.783 256 HD1 TRP 25 HD1 TRP 25 34.800 12.660 -2.628 257 HE1 TRP 25 HE1 TRP 25 33.605 13.193 -4.872 258 HE3 TRP 25 HE3 TRP 25 37.193 9.279 -5.646 259 HZ2 TRP 25 HZ2 TRP 25 33.692 12.256 -7.591 260 HZ3 TRP 25 HZ3 TRP 25 36.614 9.117 -8.059 261 HH2 TRP 25 HH2 TRP 25 34.866 10.598 -9.034 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 63.980 17.384 -3.520 2 H2 ALA 1 HT2 ALA 1 65.383 16.698 -4.194 3 H3 ALA 1 HT3 ALA 1 65.307 17.025 -2.527 4 HA ALA 1 HA ALA 1 64.567 15.031 -2.149 5 HB1 ALA 1 HB1 ALA 1 62.351 15.845 -4.061 6 HB2 ALA 1 HB2 ALA 1 62.365 16.065 -2.295 7 HB3 ALA 1 HB3 ALA 1 62.308 14.426 -2.989 8 H TRP 2 HN TRP 2 63.727 12.886 -3.279 9 HA TRP 2 HA TRP 2 64.527 12.510 -6.040 10 HB2 TRP 2 HB2 TRP 2 66.771 12.783 -4.903 11 HB3 TRP 2 HB1 TRP 2 66.397 11.326 -3.951 12 HD1 TRP 2 HD1 TRP 2 66.499 12.368 -7.691 13 HE1 TRP 2 HE1 TRP 2 67.364 10.361 -9.100 14 HE3 TRP 2 HE3 TRP 2 66.999 8.910 -3.949 15 HZ2 TRP 2 HZ2 TRP 2 68.159 7.633 -8.633 16 HZ3 TRP 2 HZ3 TRP 2 67.813 6.612 -4.454 17 HH2 TRP 2 HH2 TRP 2 68.393 5.971 -6.790 18 H LYS 3 HN LYS 3 64.209 10.991 -2.814 19 HA LYS 3 HA LYS 3 63.366 8.431 -3.919 20 HB2 LYS 3 HB2 LYS 3 62.920 9.507 -1.110 21 HB3 LYS 3 HB1 LYS 3 62.949 7.803 -1.627 22 HG2 LYS 3 HG2 LYS 3 65.324 8.047 -2.302 23 HG3 LYS 3 HG1 LYS 3 65.296 9.747 -1.771 24 HD2 LYS 3 HD2 LYS 3 64.839 9.076 0.530 25 HD3 LYS 3 HD1 LYS 3 64.683 7.372 0.040 26 HE2 LYS 3 HE2 LYS 3 66.907 7.687 0.970 27 HE3 LYS 3 HE1 LYS 3 67.068 7.467 -0.788 28 HZ1 LYS 3 HZ1 LYS 3 67.396 9.755 -1.100 29 HZ2 LYS 3 HZ2 LYS 3 68.349 9.369 0.252 30 HZ3 LYS 3 HZ3 LYS 3 66.855 10.151 0.458 31 H GLU 4 HN GLU 4 61.843 11.457 -3.484 32 HA GLU 4 HA GLU 4 59.627 12.126 -3.638 33 HB2 GLU 4 HB2 GLU 4 59.283 9.430 -5.011 34 HB3 GLU 4 HB1 GLU 4 58.171 10.816 -5.117 35 HG2 GLU 4 HG2 GLU 4 61.105 10.939 -5.934 36 HG3 GLU 4 HG1 GLU 4 59.778 10.607 -7.072 37 H LYS 5 HN LYS 5 60.570 10.393 -1.338 38 HA LYS 5 HA LYS 5 59.647 9.378 0.531 39 HB2 LYS 5 HB2 LYS 5 57.094 10.748 -0.401 40 HB3 LYS 5 HB1 LYS 5 57.460 10.194 1.248 41 HG2 LYS 5 HG2 LYS 5 59.192 12.243 -0.203 42 HG3 LYS 5 HG1 LYS 5 57.783 12.711 0.772 43 HD2 LYS 5 HD2 LYS 5 58.834 11.391 2.706 44 HD3 LYS 5 HD1 LYS 5 60.307 11.283 1.711 45 HE2 LYS 5 HE2 LYS 5 60.305 13.788 1.525 46 HE3 LYS 5 HE1 LYS 5 58.927 13.832 2.649 47 HZ1 LYS 5 HZ1 LYS 5 61.713 13.429 3.192 48 HZ2 LYS 5 HZ2 LYS 5 60.747 12.211 3.880 49 HZ3 LYS 5 HZ3 LYS 5 60.455 13.843 4.250 50 H ILE 6 HN ILE 6 59.536 8.023 -2.135 51 HA ILE 6 HA ILE 6 58.521 6.174 -3.111 52 HB ILE 6 HB ILE 6 57.671 5.442 -0.274 53 HG12 ILE 6 HG12 ILE 6 59.976 6.148 -0.106 54 HG13 ILE 6 HG11 ILE 6 59.970 4.373 -0.094 55 HG21 ILE 6 HG21 ILE 6 58.452 3.100 -1.312 56 HG22 ILE 6 HG22 ILE 6 58.130 3.914 -2.857 57 HG23 ILE 6 HG23 ILE 6 56.836 3.745 -1.655 58 HD11 ILE 6 HD1 ILE 6 61.719 4.962 -1.597 59 HD12 ILE 6 HD2 ILE 6 60.753 6.250 -2.354 60 HD13 ILE 6 HD3 ILE 6 60.358 4.542 -2.658 61 H ARG 7 HN ARG 7 57.016 8.554 -2.982 62 HA ARG 7 HA ARG 7 54.887 9.276 -3.487 63 HB2 ARG 7 HB2 ARG 7 53.905 6.404 -3.348 64 HB3 ARG 7 HB1 ARG 7 53.211 7.769 -4.247 65 HG2 ARG 7 HG2 ARG 7 55.430 7.865 -5.547 66 HG3 ARG 7 HG1 ARG 7 55.808 6.287 -4.817 67 HD2 ARG 7 HD2 ARG 7 54.765 5.989 -7.036 68 HD3 ARG 7 HD1 ARG 7 53.705 5.354 -5.754 69 HE ARG 7 HE ARG 7 52.962 8.056 -6.203 70 HH11 ARG 7 HH11 ARG 7 53.370 5.267 -8.162 71 HH12 ARG 7 HH12 ARG 7 51.898 5.499 -9.044 72 HH21 ARG 7 HH21 ARG 7 50.919 8.268 -7.201 73 HH22 ARG 7 HH22 ARG 7 50.510 7.198 -8.500 74 H LYS 8 HN LYS 8 55.644 9.621 -0.930 75 HA LYS 8 HA LYS 8 54.700 9.904 1.191 76 HB2 LYS 8 HB2 LYS 8 52.117 9.429 -0.070 77 HB3 LYS 8 HB1 LYS 8 52.454 10.334 1.415 78 HG2 LYS 8 HG2 LYS 8 54.076 11.747 -0.184 79 HG3 LYS 8 HG1 LYS 8 53.006 11.137 -1.462 80 HD2 LYS 8 HD2 LYS 8 51.062 12.127 -0.341 81 HD3 LYS 8 HD1 LYS 8 52.069 12.625 1.033 82 HE2 LYS 8 HE2 LYS 8 52.392 13.571 -1.847 83 HE3 LYS 8 HE1 LYS 8 51.692 14.517 -0.513 84 HZ1 LYS 8 HZ1 LYS 8 53.811 15.214 -0.309 85 HZ2 LYS 8 HZ2 LYS 8 54.472 13.845 -1.069 86 HZ3 LYS 8 HZ3 LYS 8 54.009 13.775 0.565 87 H LYS 9 HN LYS 9 52.336 8.765 2.239 88 HA LYS 9 HA LYS 9 52.859 5.912 2.238 89 HB2 LYS 9 HB2 LYS 9 53.435 7.643 4.663 90 HB3 LYS 9 HB1 LYS 9 53.084 5.904 4.783 91 HG2 LYS 9 HG2 LYS 9 55.011 5.491 3.178 92 HG3 LYS 9 HG1 LYS 9 55.405 7.219 3.309 93 HD2 LYS 9 HD2 LYS 9 56.806 6.336 4.968 94 HD3 LYS 9 HD1 LYS 9 55.367 6.728 5.934 95 HE2 LYS 9 HE2 LYS 9 56.199 4.456 6.456 96 HE3 LYS 9 HE1 LYS 9 54.589 4.370 5.707 97 HZ1 LYS 9 HZ1 LYS 9 55.438 3.138 4.092 98 HZ2 LYS 9 HZ2 LYS 9 56.966 3.186 4.834 99 HZ3 LYS 9 HZ3 LYS 9 56.541 4.361 3.683 100 H LEU 10 HN LEU 10 50.901 6.011 1.280 101 HA LEU 10 HA LEU 10 48.519 6.285 1.418 102 HB2 LEU 10 HB2 LEU 10 48.767 6.587 4.413 103 HB3 LEU 10 HB1 LEU 10 47.484 5.809 3.482 104 HG LEU 10 HG LEU 10 50.244 4.686 4.089 105 HD11 LEU 10 HD11 LEU 10 48.404 4.537 5.817 106 HD12 LEU 10 HD12 LEU 10 49.011 2.963 5.247 107 HD13 LEU 10 HD13 LEU 10 47.460 3.594 4.641 108 HD21 LEU 10 HD21 LEU 10 48.079 3.727 2.169 109 HD22 LEU 10 HD22 LEU 10 49.363 2.667 2.795 110 HD23 LEU 10 HD23 LEU 10 49.782 4.075 1.794 111 H LYS 11 HN LYS 11 50.113 7.995 0.450 112 HA LYS 11 HA LYS 11 50.281 10.284 0.956 113 HB2 LYS 11 HB2 LYS 11 48.089 9.781 -0.872 114 HB3 LYS 11 HB1 LYS 11 48.983 11.285 -0.859 115 HG2 LYS 11 HG2 LYS 11 50.896 10.239 -1.755 116 HG3 LYS 11 HG1 LYS 11 50.369 8.617 -1.247 117 HD2 LYS 11 HD2 LYS 11 48.551 8.712 -2.935 118 HD3 LYS 11 HD1 LYS 11 49.131 10.317 -3.446 119 HE2 LYS 11 HE2 LYS 11 50.080 8.704 -4.969 120 HE3 LYS 11 HE1 LYS 11 51.390 9.255 -3.898 121 HZ1 LYS 11 HZ1 LYS 11 51.512 6.908 -4.001 122 HZ2 LYS 11 HZ2 LYS 11 49.846 6.720 -3.728 123 HZ3 LYS 11 HZ3 LYS 11 50.857 7.275 -2.481 124 H ASN 12 HN ASN 12 50.060 9.990 3.067 125 HA ASN 12 HA ASN 12 49.375 11.190 4.896 126 HB2 ASN 12 HB2 ASN 12 48.540 13.013 3.156 127 HB3 ASN 12 HB1 ASN 12 46.967 12.472 3.723 128 HD21 ASN 12 HD21 ASN 12 48.129 15.136 4.211 129 HD22 ASN 12 HD22 ASN 12 48.309 15.278 5.963 130 H GLU 13 HN GLU 13 47.158 9.704 2.826 131 HA GLU 13 HA GLU 13 46.697 7.578 4.552 132 HB2 GLU 13 HB2 GLU 13 44.774 9.594 5.157 133 HB3 GLU 13 HB1 GLU 13 43.927 8.359 4.205 134 HG2 GLU 13 HG2 GLU 13 45.613 7.823 6.677 135 HG3 GLU 13 HG1 GLU 13 43.834 7.876 6.625 136 H ILE 14 HN ILE 14 47.369 8.767 1.589 137 HA ILE 14 HA ILE 14 47.403 7.280 -0.227 138 HB ILE 14 HB ILE 14 44.535 6.468 0.406 139 HG12 ILE 14 HG12 ILE 14 47.102 4.860 0.059 140 HG13 ILE 14 HG11 ILE 14 46.406 5.303 1.616 141 HG21 ILE 14 HG21 ILE 14 46.194 6.271 -2.112 142 HG22 ILE 14 HG22 ILE 14 44.465 6.646 -1.942 143 HG23 ILE 14 HG23 ILE 14 45.028 4.985 -1.740 144 HD11 ILE 14 HD1 ILE 14 45.504 3.209 -0.323 145 HD12 ILE 14 HD2 ILE 14 44.228 4.105 0.527 146 HD13 ILE 14 HD3 ILE 14 45.445 3.209 1.452 147 H LYS 15 HN LYS 15 46.526 9.956 0.956 148 HA LYS 15 HA LYS 15 46.770 11.626 -0.933 149 HB2 LYS 15 HB2 LYS 15 44.281 10.336 -1.805 150 HB3 LYS 15 HB1 LYS 15 44.523 12.050 -2.166 151 HG2 LYS 15 HG2 LYS 15 46.852 10.336 -2.922 152 HG3 LYS 15 HG1 LYS 15 45.370 9.968 -3.824 153 HD2 LYS 15 HD2 LYS 15 45.155 12.296 -4.529 154 HD3 LYS 15 HD1 LYS 15 46.535 12.773 -3.513 155 HE2 LYS 15 HE2 LYS 15 46.863 12.282 -6.129 156 HE3 LYS 15 HE1 LYS 15 48.106 11.804 -4.952 157 HZ1 LYS 15 HZ1 LYS 15 47.650 9.957 -6.365 158 HZ2 LYS 15 HZ2 LYS 15 45.974 10.085 -6.116 159 HZ3 LYS 15 HZ3 LYS 15 46.990 9.602 -4.843 160 H LYS 16 HN LYS 16 46.960 13.332 -0.125 161 HA LYS 16 HA LYS 16 46.326 15.137 1.251 162 HB2 LYS 16 HB2 LYS 16 44.716 15.205 -0.651 163 HB3 LYS 16 HB1 LYS 16 43.711 14.043 0.254 164 HG2 LYS 16 HG2 LYS 16 42.833 16.376 0.474 165 HG3 LYS 16 HG1 LYS 16 43.371 15.751 2.037 166 HD2 LYS 16 HD2 LYS 16 44.028 18.134 1.605 167 HD3 LYS 16 HD1 LYS 16 45.416 17.084 1.918 168 HE2 LYS 16 HE2 LYS 16 44.512 17.531 -0.945 169 HE3 LYS 16 HE1 LYS 16 45.463 18.787 -0.121 170 HZ1 LYS 16 HZ1 LYS 16 46.255 16.092 -0.938 171 HZ2 LYS 16 HZ2 LYS 16 46.909 16.684 0.514 172 HZ3 LYS 16 HZ3 LYS 16 47.142 17.536 -0.934 173 H LYS 17 HN LYS 17 45.295 12.105 1.322 174 HA LYS 17 HA LYS 17 45.434 10.925 3.600 175 HB2 LYS 17 HB2 LYS 17 43.405 13.024 4.358 176 HB3 LYS 17 HB1 LYS 17 43.322 11.449 5.132 177 HG2 LYS 17 HG2 LYS 17 45.840 11.785 5.700 178 HG3 LYS 17 HG1 LYS 17 45.561 13.488 5.299 179 HD2 LYS 17 HD2 LYS 17 43.704 13.568 6.943 180 HD3 LYS 17 HD1 LYS 17 44.029 11.870 7.369 181 HE2 LYS 17 HE2 LYS 17 46.322 12.473 8.067 182 HE3 LYS 17 HE1 LYS 17 46.018 14.170 7.625 183 HZ1 LYS 17 HZ1 LYS 17 43.931 13.332 9.281 184 HZ2 LYS 17 HZ2 LYS 17 45.145 14.470 9.622 185 HZ3 LYS 17 HZ3 LYS 17 45.373 12.834 10.020 186 H TRP 18 HN TRP 18 44.490 10.380 0.998 187 HA TRP 18 HA TRP 18 43.470 8.786 0.003 188 HB2 TRP 18 HB2 TRP 18 42.698 7.595 2.240 189 HB3 TRP 18 HB1 TRP 18 41.183 8.138 1.578 190 HD1 TRP 18 HD1 TRP 18 42.145 7.626 -1.548 191 HE1 TRP 18 HE1 TRP 18 41.894 5.203 -2.426 192 HE3 TRP 18 HE3 TRP 18 41.910 5.166 2.936 193 HZ2 TRP 18 HZ2 TRP 18 41.620 2.565 -1.314 194 HZ3 TRP 18 HZ3 TRP 18 41.645 2.691 2.999 195 HH2 TRP 18 HH2 TRP 18 41.500 1.389 0.881 196 H ARG 19 HN ARG 19 43.412 11.373 -0.385 197 HA ARG 19 HA ARG 19 42.235 12.707 -1.819 198 HB2 ARG 19 HB2 ARG 19 40.212 10.431 -1.990 199 HB3 ARG 19 HB1 ARG 19 40.311 11.847 -3.045 200 HG2 ARG 19 HG2 ARG 19 42.597 11.075 -3.765 201 HG3 ARG 19 HG1 ARG 19 42.311 9.574 -2.854 202 HD2 ARG 19 HD2 ARG 19 40.456 8.964 -4.256 203 HD3 ARG 19 HD1 ARG 19 40.414 10.573 -5.017 204 HE ARG 19 HE ARG 19 42.122 8.386 -5.815 205 HH11 ARG 19 HH11 ARG 19 44.495 9.394 -5.763 206 HH12 ARG 19 HH12 ARG 19 44.594 10.794 -6.779 207 HH21 ARG 19 HH21 ARG 19 41.160 11.235 -6.960 208 HH22 ARG 19 HH22 ARG 19 42.707 11.837 -7.456 209 H LYS 20 HN LYS 20 42.681 12.906 0.285 210 HA LYS 20 HA LYS 20 42.452 13.373 2.300 211 HB2 LYS 20 HB2 LYS 20 41.061 15.275 1.424 212 HB3 LYS 20 HB1 LYS 20 39.801 14.370 2.180 213 HG2 LYS 20 HG2 LYS 20 40.503 14.816 4.361 214 HG3 LYS 20 HG1 LYS 20 42.191 15.009 3.869 215 HD2 LYS 20 HD2 LYS 20 41.686 17.185 2.859 216 HD3 LYS 20 HD1 LYS 20 39.952 16.965 3.191 217 HE2 LYS 20 HE2 LYS 20 42.149 17.092 5.304 218 HE3 LYS 20 HE1 LYS 20 41.033 18.417 4.896 219 HZ1 LYS 20 HZ1 LYS 20 39.249 16.589 5.344 220 HZ2 LYS 20 HZ2 LYS 20 39.954 17.429 6.641 221 HZ3 LYS 20 HZ3 LYS 20 40.482 15.863 6.253 222 H ALA 21 HN ALA 21 41.211 11.059 1.221 223 HA ALA 21 HA ALA 21 41.125 9.121 3.214 224 HB1 ALA 21 HB1 ALA 21 39.440 9.428 4.989 225 HB2 ALA 21 HB2 ALA 21 39.235 11.102 4.426 226 HB3 ALA 21 HB3 ALA 21 40.789 10.578 5.140 227 H VAL 22 HN VAL 22 40.218 10.072 0.734 228 HA VAL 22 HA VAL 22 38.562 9.607 -0.688 229 HB VAL 22 HB VAL 22 38.017 7.515 1.283 230 HG11 VAL 22 HG11 VAL 22 35.618 7.410 1.406 231 HG12 VAL 22 HG12 VAL 22 35.429 8.828 0.356 232 HG13 VAL 22 HG13 VAL 22 36.076 9.017 2.005 233 HG21 VAL 22 HG21 VAL 22 36.877 8.025 -1.491 234 HG22 VAL 22 HG22 VAL 22 36.740 6.492 -0.597 235 HG23 VAL 22 HG23 VAL 22 38.340 7.094 -1.092 236 H ILE 23 HN ILE 23 39.655 11.649 1.678 237 HA ILE 23 HA ILE 23 36.620 12.695 1.870 238 HB ILE 23 HB ILE 23 38.836 13.313 3.767 239 HG12 ILE 23 HG12 ILE 23 35.876 12.902 4.268 240 HG13 ILE 23 HG11 ILE 23 36.981 11.528 4.077 241 HG21 ILE 23 HG21 ILE 23 37.503 15.207 4.664 242 HG22 ILE 23 HG22 ILE 23 36.369 15.033 3.309 243 HG23 ILE 23 HG23 ILE 23 38.038 15.555 3.009 244 HD11 ILE 23 HD1 ILE 23 36.941 11.852 6.416 245 HD12 ILE 23 HD2 ILE 23 36.909 13.622 6.274 246 HD13 ILE 23 HD3 ILE 23 38.411 12.729 5.942 247 H ALA 24 HN ALA 24 39.628 13.386 0.661 248 HA ALA 24 HA ALA 24 38.595 15.603 -0.637 249 HB1 ALA 24 HB1 ALA 24 40.784 16.324 -0.631 250 HB2 ALA 24 HB2 ALA 24 40.705 15.509 -2.204 251 HB3 ALA 24 HB3 ALA 24 41.316 14.651 -0.799 252 H TRP 25 HN TRP 25 39.044 12.872 -0.606 253 HA TRP 25 HA TRP 25 38.243 11.058 -2.219 254 HB2 TRP 25 HB2 TRP 25 36.029 10.956 -1.715 255 HB3 TRP 25 HB1 TRP 25 36.225 12.577 -1.025 256 HD1 TRP 25 HD1 TRP 25 34.864 10.732 -4.058 257 HE1 TRP 25 HE1 TRP 25 33.407 12.338 -5.492 258 HE3 TRP 25 HE3 TRP 25 35.928 15.137 -1.671 259 HZ2 TRP 25 HZ2 TRP 25 32.805 15.153 -5.566 260 HZ3 TRP 25 HZ3 TRP 25 34.900 17.270 -2.442 261 HH2 TRP 25 HH2 TRP 25 33.340 17.281 -4.384 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 63.519 14.507 1.379 2 H2 ALA 1 HT2 ALA 1 62.337 13.734 0.434 3 H3 ALA 1 HT3 ALA 1 63.898 13.986 -0.188 4 HA ALA 1 HA ALA 1 64.497 12.641 1.994 5 HB1 ALA 1 HB1 ALA 1 62.041 12.398 2.465 6 HB2 ALA 1 HB2 ALA 1 62.911 10.853 2.307 7 HB3 ALA 1 HB3 ALA 1 61.901 11.449 0.967 8 H TRP 2 HN TRP 2 64.508 13.267 -1.104 9 HA TRP 2 HA TRP 2 65.666 12.334 -2.878 10 HB2 TRP 2 HB2 TRP 2 66.276 9.819 -1.300 11 HB3 TRP 2 HB1 TRP 2 67.262 10.651 -2.523 12 HD1 TRP 2 HD1 TRP 2 67.441 13.517 -1.503 13 HE1 TRP 2 HE1 TRP 2 68.617 14.147 0.728 14 HE3 TRP 2 HE3 TRP 2 67.193 8.977 0.851 15 HZ2 TRP 2 HZ2 TRP 2 69.338 12.831 3.187 16 HZ3 TRP 2 HZ3 TRP 2 68.131 8.688 3.140 17 HH2 TRP 2 HH2 TRP 2 69.203 10.610 4.309 18 H LYS 3 HN LYS 3 64.389 9.413 -1.217 19 HA LYS 3 HA LYS 3 63.359 8.334 -3.699 20 HB2 LYS 3 HB2 LYS 3 62.731 7.592 -0.816 21 HB3 LYS 3 HB1 LYS 3 62.347 6.614 -2.252 22 HG2 LYS 3 HG2 LYS 3 64.683 6.303 -2.777 23 HG3 LYS 3 HG1 LYS 3 65.179 7.514 -1.577 24 HD2 LYS 3 HD2 LYS 3 65.607 5.445 -0.501 25 HD3 LYS 3 HD1 LYS 3 64.051 5.956 0.185 26 HE2 LYS 3 HE2 LYS 3 64.034 3.554 -0.464 27 HE3 LYS 3 HE1 LYS 3 62.852 4.490 -1.404 28 HZ1 LYS 3 HZ1 LYS 3 64.802 2.881 -2.425 29 HZ2 LYS 3 HZ2 LYS 3 65.454 4.438 -2.617 30 HZ3 LYS 3 HZ3 LYS 3 63.939 4.060 -3.286 31 H GLU 4 HN GLU 4 62.371 11.020 -2.232 32 HA GLU 4 HA GLU 4 60.362 12.175 -2.127 33 HB2 GLU 4 HB2 GLU 4 59.532 10.173 -4.266 34 HB3 GLU 4 HB1 GLU 4 58.736 11.726 -3.917 35 HG2 GLU 4 HG2 GLU 4 60.737 12.960 -4.544 36 HG3 GLU 4 HG1 GLU 4 61.667 11.451 -4.714 37 H LYS 5 HN LYS 5 60.709 10.145 -0.191 38 HA LYS 5 HA LYS 5 59.503 8.907 1.354 39 HB2 LYS 5 HB2 LYS 5 57.225 10.624 0.295 40 HB3 LYS 5 HB1 LYS 5 57.222 9.722 1.831 41 HG2 LYS 5 HG2 LYS 5 59.103 11.046 2.666 42 HG3 LYS 5 HG1 LYS 5 59.249 11.882 1.103 43 HD2 LYS 5 HD2 LYS 5 57.094 12.942 1.379 44 HD3 LYS 5 HD1 LYS 5 56.728 11.947 2.810 45 HE2 LYS 5 HE2 LYS 5 59.097 13.856 2.666 46 HE3 LYS 5 HE1 LYS 5 57.509 14.315 3.325 47 HZ1 LYS 5 HZ1 LYS 5 59.368 13.355 4.867 48 HZ2 LYS 5 HZ2 LYS 5 58.799 11.858 4.301 49 HZ3 LYS 5 HZ3 LYS 5 57.746 12.921 5.105 50 H ILE 6 HN ILE 6 59.634 8.023 -1.557 51 HA ILE 6 HA ILE 6 58.661 6.395 -2.905 52 HB ILE 6 HB ILE 6 57.453 5.190 -0.379 53 HG12 ILE 6 HG12 ILE 6 60.383 5.190 -1.239 54 HG13 ILE 6 HG11 ILE 6 59.715 5.920 0.239 55 HG21 ILE 6 HG21 ILE 6 57.810 3.108 -1.492 56 HG22 ILE 6 HG22 ILE 6 58.931 3.833 -2.670 57 HG23 ILE 6 HG23 ILE 6 57.191 4.193 -2.757 58 HD11 ILE 6 HD1 ILE 6 58.828 3.542 0.792 59 HD12 ILE 6 HD2 ILE 6 60.577 3.823 0.954 60 HD13 ILE 6 HD3 ILE 6 59.942 2.977 -0.475 61 H ARG 7 HN ARG 7 57.221 8.789 -2.563 62 HA ARG 7 HA ARG 7 55.160 9.666 -3.125 63 HB2 ARG 7 HB2 ARG 7 54.076 6.842 -3.458 64 HB3 ARG 7 HB1 ARG 7 53.477 8.346 -4.184 65 HG2 ARG 7 HG2 ARG 7 56.136 6.973 -4.791 66 HG3 ARG 7 HG1 ARG 7 54.732 7.100 -5.872 67 HD2 ARG 7 HD2 ARG 7 54.996 9.678 -5.588 68 HD3 ARG 7 HD1 ARG 7 56.616 9.295 -4.953 69 HE ARG 7 HE ARG 7 57.272 8.853 -7.169 70 HH11 ARG 7 HH11 ARG 7 56.899 7.966 -9.245 71 HH12 ARG 7 HH12 ARG 7 55.278 7.932 -9.855 72 HH21 ARG 7 HH21 ARG 7 53.858 9.068 -6.903 73 HH22 ARG 7 HH22 ARG 7 53.558 8.555 -8.531 74 H LYS 8 HN LYS 8 55.744 9.617 -0.510 75 HA LYS 8 HA LYS 8 54.656 9.675 1.560 76 HB2 LYS 8 HB2 LYS 8 52.108 9.276 0.183 77 HB3 LYS 8 HB1 LYS 8 52.429 10.136 1.700 78 HG2 LYS 8 HG2 LYS 8 53.306 11.009 -1.093 79 HG3 LYS 8 HG1 LYS 8 52.082 11.794 -0.065 80 HD2 LYS 8 HD2 LYS 8 53.975 12.055 1.686 81 HD3 LYS 8 HD1 LYS 8 55.089 11.651 0.358 82 HE2 LYS 8 HE2 LYS 8 53.189 14.015 0.555 83 HE3 LYS 8 HE1 LYS 8 54.959 14.038 0.371 84 HZ1 LYS 8 HZ1 LYS 8 54.483 14.263 -1.792 85 HZ2 LYS 8 HZ2 LYS 8 52.893 13.687 -1.627 86 HZ3 LYS 8 HZ3 LYS 8 54.187 12.594 -1.763 87 H LYS 9 HN LYS 9 52.223 8.430 2.276 88 HA LYS 9 HA LYS 9 52.676 5.605 1.936 89 HB2 LYS 9 HB2 LYS 9 52.678 5.376 4.577 90 HB3 LYS 9 HB1 LYS 9 54.222 5.625 3.727 91 HG2 LYS 9 HG2 LYS 9 54.203 7.989 4.197 92 HG3 LYS 9 HG1 LYS 9 52.532 7.917 4.805 93 HD2 LYS 9 HD2 LYS 9 53.295 6.392 6.635 94 HD3 LYS 9 HD1 LYS 9 54.969 6.579 6.058 95 HE2 LYS 9 HE2 LYS 9 53.203 8.928 6.857 96 HE3 LYS 9 HE1 LYS 9 54.324 8.120 7.977 97 HZ1 LYS 9 HZ1 LYS 9 55.202 9.177 5.347 98 HZ2 LYS 9 HZ2 LYS 9 56.159 8.741 6.682 99 HZ3 LYS 9 HZ3 LYS 9 55.192 10.137 6.745 100 H LEU 10 HN LEU 10 50.784 5.843 0.909 101 HA LEU 10 HA LEU 10 48.402 6.187 0.933 102 HB2 LEU 10 HB2 LEU 10 48.474 6.057 3.951 103 HB3 LEU 10 HB1 LEU 10 47.219 5.487 2.841 104 HG LEU 10 HG LEU 10 49.937 4.158 3.178 105 HD11 LEU 10 HD11 LEU 10 48.648 3.848 5.203 106 HD12 LEU 10 HD12 LEU 10 48.530 2.349 4.251 107 HD13 LEU 10 HD13 LEU 10 47.173 3.501 4.270 108 HD21 LEU 10 HD21 LEU 10 47.398 3.357 1.694 109 HD22 LEU 10 HD22 LEU 10 48.846 2.340 1.876 110 HD23 LEU 10 HD23 LEU 10 48.934 3.853 0.943 111 H LYS 11 HN LYS 11 50.107 7.939 0.322 112 HA LYS 11 HA LYS 11 50.298 10.139 1.163 113 HB2 LYS 11 HB2 LYS 11 48.241 9.996 -0.851 114 HB3 LYS 11 HB1 LYS 11 49.256 11.405 -0.612 115 HG2 LYS 11 HG2 LYS 11 51.109 10.297 -1.568 116 HG3 LYS 11 HG1 LYS 11 50.435 8.683 -1.259 117 HD2 LYS 11 HD2 LYS 11 48.711 9.094 -2.988 118 HD3 LYS 11 HD1 LYS 11 49.404 10.707 -3.287 119 HE2 LYS 11 HE2 LYS 11 51.486 9.759 -4.057 120 HE3 LYS 11 HE1 LYS 11 51.002 8.128 -3.530 121 HZ1 LYS 11 HZ1 LYS 11 50.652 9.125 -6.016 122 HZ2 LYS 11 HZ2 LYS 11 49.126 9.398 -5.322 123 HZ3 LYS 11 HZ3 LYS 11 49.777 7.829 -5.360 124 H ASN 12 HN ASN 12 49.917 9.610 3.166 125 HA ASN 12 HA ASN 12 49.144 10.502 5.098 126 HB2 ASN 12 HB2 ASN 12 47.453 12.346 3.453 127 HB3 ASN 12 HB1 ASN 12 47.132 12.160 5.184 128 HD21 ASN 12 HD21 ASN 12 48.223 13.633 6.463 129 HD22 ASN 12 HD22 ASN 12 49.772 14.366 6.035 130 H GLU 13 HN GLU 13 47.045 9.424 2.723 131 HA GLU 13 HA GLU 13 46.428 7.109 4.125 132 HB2 GLU 13 HB2 GLU 13 44.779 8.762 5.262 133 HB3 GLU 13 HB1 GLU 13 43.850 8.600 3.772 134 HG2 GLU 13 HG2 GLU 13 42.980 6.937 5.238 135 HG3 GLU 13 HG1 GLU 13 44.022 6.066 4.092 136 H ILE 14 HN ILE 14 47.304 8.661 1.370 137 HA ILE 14 HA ILE 14 47.296 7.309 -0.619 138 HB ILE 14 HB ILE 14 44.343 6.901 -0.118 139 HG12 ILE 14 HG12 ILE 14 46.178 5.284 0.815 140 HG13 ILE 14 HG11 ILE 14 44.771 4.588 0.002 141 HG21 ILE 14 HG21 ILE 14 44.451 5.659 -2.400 142 HG22 ILE 14 HG22 ILE 14 45.871 6.688 -2.696 143 HG23 ILE 14 HG23 ILE 14 44.280 7.422 -2.395 144 HD11 ILE 14 HD1 ILE 14 47.172 3.721 -0.629 145 HD12 ILE 14 HD2 ILE 14 47.294 5.213 -1.578 146 HD13 ILE 14 HD3 ILE 14 46.015 4.035 -1.936 147 H LYS 15 HN LYS 15 46.486 10.014 0.869 148 HA LYS 15 HA LYS 15 47.031 11.813 -0.953 149 HB2 LYS 15 HB2 LYS 15 44.493 10.722 -1.897 150 HB3 LYS 15 HB1 LYS 15 44.754 12.450 -2.127 151 HG2 LYS 15 HG2 LYS 15 47.062 10.788 -3.065 152 HG3 LYS 15 HG1 LYS 15 45.560 10.526 -3.976 153 HD2 LYS 15 HD2 LYS 15 45.380 12.927 -4.440 154 HD3 LYS 15 HD1 LYS 15 46.808 13.257 -3.430 155 HE2 LYS 15 HE2 LYS 15 47.375 13.194 -5.858 156 HE3 LYS 15 HE1 LYS 15 48.217 11.923 -4.942 157 HZ1 LYS 15 HZ1 LYS 15 47.042 10.305 -5.945 158 HZ2 LYS 15 HZ2 LYS 15 46.820 11.467 -7.164 159 HZ3 LYS 15 HZ3 LYS 15 45.606 11.205 -6.005 160 H LYS 16 HN LYS 16 47.275 13.586 -0.114 161 HA LYS 16 HA LYS 16 46.612 15.384 1.296 162 HB2 LYS 16 HB2 LYS 16 44.956 15.373 -0.617 163 HB3 LYS 16 HB1 LYS 16 43.949 14.284 0.373 164 HG2 LYS 16 HG2 LYS 16 42.987 16.420 0.817 165 HG3 LYS 16 HG1 LYS 16 44.112 16.255 2.170 166 HD2 LYS 16 HD2 LYS 16 44.653 18.410 1.430 167 HD3 LYS 16 HD1 LYS 16 45.822 17.452 0.498 168 HE2 LYS 16 HE2 LYS 16 44.856 18.890 -1.119 169 HE3 LYS 16 HE1 LYS 16 43.960 17.370 -1.341 170 HZ1 LYS 16 HZ1 LYS 16 42.762 18.979 0.676 171 HZ2 LYS 16 HZ2 LYS 16 42.084 18.368 -0.757 172 HZ3 LYS 16 HZ3 LYS 16 42.906 19.855 -0.769 173 H LYS 17 HN LYS 17 45.584 12.319 1.309 174 HA LYS 17 HA LYS 17 45.662 11.010 3.519 175 HB2 LYS 17 HB2 LYS 17 45.097 13.144 4.891 176 HB3 LYS 17 HB1 LYS 17 43.414 12.810 4.454 177 HG2 LYS 17 HG2 LYS 17 43.552 10.644 5.594 178 HG3 LYS 17 HG1 LYS 17 45.288 10.890 5.896 179 HD2 LYS 17 HD2 LYS 17 44.757 12.900 7.244 180 HD3 LYS 17 HD1 LYS 17 43.021 12.621 6.964 181 HE2 LYS 17 HE2 LYS 17 43.829 11.719 9.169 182 HE3 LYS 17 HE1 LYS 17 43.128 10.471 8.113 183 HZ1 LYS 17 HZ1 LYS 17 45.250 9.798 9.139 184 HZ2 LYS 17 HZ2 LYS 17 46.038 11.070 8.333 185 HZ3 LYS 17 HZ3 LYS 17 45.324 9.809 7.444 186 H TRP 18 HN TRP 18 44.601 10.584 0.915 187 HA TRP 18 HA TRP 18 43.395 9.329 -0.194 188 HB2 TRP 18 HB2 TRP 18 42.657 7.885 1.912 189 HB3 TRP 18 HB1 TRP 18 41.138 8.537 1.366 190 HD1 TRP 18 HD1 TRP 18 41.862 8.477 -1.798 191 HE1 TRP 18 HE1 TRP 18 41.679 6.192 -3.015 192 HE3 TRP 18 HE3 TRP 18 42.135 5.370 2.264 193 HZ2 TRP 18 HZ2 TRP 18 41.653 3.407 -2.299 194 HZ3 TRP 18 HZ3 TRP 18 42.025 2.900 1.971 195 HH2 TRP 18 HH2 TRP 18 41.785 1.916 -0.305 196 H ARG 19 HN ARG 19 43.642 11.703 -0.586 197 HA ARG 19 HA ARG 19 42.588 13.268 -1.897 198 HB2 ARG 19 HB2 ARG 19 40.378 11.262 -1.809 199 HB3 ARG 19 HB1 ARG 19 40.318 12.741 -2.788 200 HG2 ARG 19 HG2 ARG 19 42.604 10.769 -3.142 201 HG3 ARG 19 HG1 ARG 19 41.063 10.444 -3.930 202 HD2 ARG 19 HD2 ARG 19 42.433 13.139 -4.224 203 HD3 ARG 19 HD1 ARG 19 42.846 11.766 -5.275 204 HE ARG 19 HE ARG 19 40.091 11.879 -5.447 205 HH11 ARG 19 HH11 ARG 19 42.659 13.181 -7.035 206 HH12 ARG 19 HH12 ARG 19 41.839 14.576 -7.653 207 HH21 ARG 19 HH21 ARG 19 39.012 14.108 -5.700 208 HH22 ARG 19 HH22 ARG 19 39.774 15.101 -6.897 209 H LYS 20 HN LYS 20 42.874 12.802 0.694 210 HA LYS 20 HA LYS 20 42.332 13.929 2.438 211 HB2 LYS 20 HB2 LYS 20 40.890 15.453 0.880 212 HB3 LYS 20 HB1 LYS 20 39.638 14.722 1.829 213 HG2 LYS 20 HG2 LYS 20 40.371 15.801 3.848 214 HG3 LYS 20 HG1 LYS 20 42.003 16.030 3.208 215 HD2 LYS 20 HD2 LYS 20 41.327 17.808 1.782 216 HD3 LYS 20 HD1 LYS 20 39.604 17.410 1.953 217 HE2 LYS 20 HE2 LYS 20 39.673 18.068 4.333 218 HE3 LYS 20 HE1 LYS 20 41.412 18.420 4.195 219 HZ1 LYS 20 HZ1 LYS 20 39.113 19.909 3.155 220 HZ2 LYS 20 HZ2 LYS 20 40.525 19.894 2.208 221 HZ3 LYS 20 HZ3 LYS 20 40.574 20.479 3.803 222 H ALA 21 HN ALA 21 41.330 11.319 1.191 223 HA ALA 21 HA ALA 21 41.388 9.415 3.126 224 HB1 ALA 21 HB1 ALA 21 41.300 10.950 5.108 225 HB2 ALA 21 HB2 ALA 21 40.116 9.636 5.171 226 HB3 ALA 21 HB3 ALA 21 39.603 11.265 4.695 227 H VAL 22 HN VAL 22 40.101 10.357 0.774 228 HA VAL 22 HA VAL 22 38.180 9.885 -0.276 229 HB VAL 22 HB VAL 22 36.922 8.581 2.184 230 HG11 VAL 22 HG11 VAL 22 35.572 7.410 0.557 231 HG12 VAL 22 HG12 VAL 22 36.541 8.065 -0.777 232 HG13 VAL 22 HG13 VAL 22 35.529 9.151 0.204 233 HG21 VAL 22 HG21 VAL 22 37.682 6.349 1.121 234 HG22 VAL 22 HG22 VAL 22 38.928 7.270 1.988 235 HG23 VAL 22 HG23 VAL 22 38.869 7.315 0.211 236 H ILE 23 HN ILE 23 39.659 11.966 1.942 237 HA ILE 23 HA ILE 23 36.630 12.783 2.805 238 HB ILE 23 HB ILE 23 39.193 13.967 3.807 239 HG12 ILE 23 HG12 ILE 23 36.624 13.655 5.338 240 HG13 ILE 23 HG11 ILE 23 37.527 12.191 4.927 241 HG21 ILE 23 HG21 ILE 23 36.537 15.405 3.686 242 HG22 ILE 23 HG22 ILE 23 38.051 15.959 2.945 243 HG23 ILE 23 HG23 ILE 23 37.900 15.904 4.710 244 HD11 ILE 23 HD1 ILE 23 38.538 14.575 6.540 245 HD12 ILE 23 HD2 ILE 23 39.577 13.236 6.002 246 HD13 ILE 23 HD3 ILE 23 38.238 12.925 7.128 247 H ALA 24 HN ALA 24 38.531 12.679 0.309 248 HA ALA 24 HA ALA 24 36.910 14.348 -1.002 249 HB1 ALA 24 HB1 ALA 24 39.513 14.832 -2.021 250 HB2 ALA 24 HB2 ALA 24 39.061 15.701 -0.543 251 HB3 ALA 24 HB3 ALA 24 38.149 15.973 -2.046 252 H TRP 25 HN TRP 25 38.769 12.295 -0.768 253 HA TRP 25 HA TRP 25 38.836 10.123 -2.260 254 HB2 TRP 25 HB2 TRP 25 36.383 10.209 -1.694 255 HB3 TRP 25 HB1 TRP 25 36.122 11.104 -3.193 256 HD1 TRP 25 HD1 TRP 25 38.213 7.894 -2.440 257 HE1 TRP 25 HE1 TRP 25 37.591 6.086 -4.195 258 HE3 TRP 25 HE3 TRP 25 34.653 10.490 -5.054 259 HZ2 TRP 25 HZ2 TRP 25 35.789 5.827 -6.423 260 HZ3 TRP 25 HZ3 TRP 25 33.495 9.439 -6.992 261 HH2 TRP 25 HH2 TRP 25 34.060 7.111 -7.678 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 64.858 16.777 -3.959 2 H2 ALA 1 HT2 ALA 1 66.179 16.266 -3.022 3 H3 ALA 1 HT3 ALA 1 64.853 17.028 -2.283 4 HA ALA 1 HA ALA 1 64.705 14.741 -1.835 5 HB1 ALA 1 HB1 ALA 1 62.794 15.570 -4.047 6 HB2 ALA 1 HB2 ALA 1 62.608 15.927 -2.313 7 HB3 ALA 1 HB3 ALA 1 62.534 14.244 -2.890 8 H TRP 2 HN TRP 2 63.934 12.605 -2.982 9 HA TRP 2 HA TRP 2 64.980 12.090 -5.627 10 HB2 TRP 2 HB2 TRP 2 67.122 12.374 -4.305 11 HB3 TRP 2 HB1 TRP 2 66.639 10.958 -3.341 12 HD1 TRP 2 HD1 TRP 2 67.009 11.840 -7.109 13 HE1 TRP 2 HE1 TRP 2 67.986 9.781 -8.361 14 HE3 TRP 2 HE3 TRP 2 67.300 8.571 -3.180 15 HZ2 TRP 2 HZ2 TRP 2 68.776 7.089 -7.712 16 HZ3 TRP 2 HZ3 TRP 2 68.170 6.262 -3.520 17 HH2 TRP 2 HH2 TRP 2 68.906 5.519 -5.781 18 H LYS 3 HN LYS 3 64.347 10.728 -2.379 19 HA LYS 3 HA LYS 3 63.509 8.145 -3.462 20 HB2 LYS 3 HB2 LYS 3 63.148 9.416 -0.720 21 HB3 LYS 3 HB1 LYS 3 62.754 7.727 -1.118 22 HG2 LYS 3 HG2 LYS 3 65.184 7.500 -1.930 23 HG3 LYS 3 HG1 LYS 3 65.488 9.068 -1.147 24 HD2 LYS 3 HD2 LYS 3 64.438 6.541 0.206 25 HD3 LYS 3 HD1 LYS 3 66.063 7.240 0.394 26 HE2 LYS 3 HE2 LYS 3 63.405 8.340 1.364 27 HE3 LYS 3 HE1 LYS 3 64.883 8.018 2.298 28 HZ1 LYS 3 HZ1 LYS 3 64.560 10.119 0.214 29 HZ2 LYS 3 HZ2 LYS 3 65.987 9.797 1.075 30 HZ3 LYS 3 HZ3 LYS 3 64.615 10.377 1.889 31 H GLU 4 HN GLU 4 62.060 11.243 -3.034 32 HA GLU 4 HA GLU 4 59.883 11.986 -3.325 33 HB2 GLU 4 HB2 GLU 4 59.475 9.353 -4.792 34 HB3 GLU 4 HB1 GLU 4 58.531 10.849 -4.984 35 HG2 GLU 4 HG2 GLU 4 60.570 12.027 -5.777 36 HG3 GLU 4 HG1 GLU 4 61.501 10.519 -5.604 37 H LYS 5 HN LYS 5 60.601 10.183 -1.015 38 HA LYS 5 HA LYS 5 59.516 9.138 0.752 39 HB2 LYS 5 HB2 LYS 5 57.300 10.871 -0.397 40 HB3 LYS 5 HB1 LYS 5 57.074 9.899 1.075 41 HG2 LYS 5 HG2 LYS 5 57.750 12.236 1.601 42 HG3 LYS 5 HG1 LYS 5 58.949 11.051 2.168 43 HD2 LYS 5 HD2 LYS 5 60.483 11.581 0.439 44 HD3 LYS 5 HD1 LYS 5 59.233 12.358 -0.564 45 HE2 LYS 5 HE2 LYS 5 60.854 13.938 0.646 46 HE3 LYS 5 HE1 LYS 5 59.121 14.264 0.889 47 HZ1 LYS 5 HZ1 LYS 5 60.833 12.674 2.738 48 HZ2 LYS 5 HZ2 LYS 5 59.206 13.100 2.980 49 HZ3 LYS 5 HZ3 LYS 5 60.408 14.300 2.969 50 H ILE 6 HN ILE 6 59.484 7.909 -2.041 51 HA ILE 6 HA ILE 6 58.480 6.105 -3.108 52 HB ILE 6 HB ILE 6 57.431 5.201 -0.393 53 HG12 ILE 6 HG12 ILE 6 60.315 5.137 -1.393 54 HG13 ILE 6 HG11 ILE 6 59.706 6.043 0.011 55 HG21 ILE 6 HG21 ILE 6 58.833 3.590 -2.565 56 HG22 ILE 6 HG22 ILE 6 57.085 3.917 -2.623 57 HG23 ILE 6 HG23 ILE 6 57.773 3.006 -1.259 58 HD11 ILE 6 HD1 ILE 6 59.948 3.034 -0.331 59 HD12 ILE 6 HD2 ILE 6 58.893 3.751 0.913 60 HD13 ILE 6 HD3 ILE 6 60.644 4.064 0.941 61 H ARG 7 HN ARG 7 57.016 8.524 -2.911 62 HA ARG 7 HA ARG 7 54.921 9.306 -3.482 63 HB2 ARG 7 HB2 ARG 7 53.854 6.455 -3.424 64 HB3 ARG 7 HB1 ARG 7 53.177 7.860 -4.263 65 HG2 ARG 7 HG2 ARG 7 55.967 6.838 -4.935 66 HG3 ARG 7 HG1 ARG 7 54.521 6.125 -5.676 67 HD2 ARG 7 HD2 ARG 7 55.304 9.073 -5.784 68 HD3 ARG 7 HD1 ARG 7 55.454 7.902 -7.113 69 HE ARG 7 HE ARG 7 52.734 7.985 -6.140 70 HH11 ARG 7 HH11 ARG 7 54.917 10.263 -7.420 71 HH12 ARG 7 HH12 ARG 7 53.852 10.810 -8.671 72 HH21 ARG 7 HH21 ARG 7 51.417 8.433 -8.004 73 HH22 ARG 7 HH22 ARG 7 51.870 9.773 -9.002 74 H LYS 8 HN LYS 8 55.634 9.600 -0.942 75 HA LYS 8 HA LYS 8 54.666 9.915 1.166 76 HB2 LYS 8 HB2 LYS 8 52.056 9.291 0.010 77 HB3 LYS 8 HB1 LYS 8 52.446 10.357 1.372 78 HG2 LYS 8 HG2 LYS 8 53.126 10.849 -1.567 79 HG3 LYS 8 HG1 LYS 8 51.960 11.756 -0.574 80 HD2 LYS 8 HD2 LYS 8 53.957 12.279 0.987 81 HD3 LYS 8 HD1 LYS 8 54.993 11.690 -0.336 82 HE2 LYS 8 HE2 LYS 8 54.748 14.124 -0.509 83 HE3 LYS 8 HE1 LYS 8 53.916 13.342 -1.874 84 HZ1 LYS 8 HZ1 LYS 8 52.786 15.171 -0.293 85 HZ2 LYS 8 HZ2 LYS 8 52.311 13.754 0.515 86 HZ3 LYS 8 HZ3 LYS 8 51.910 13.978 -1.121 87 H LYS 9 HN LYS 9 52.326 8.740 2.192 88 HA LYS 9 HA LYS 9 52.845 5.894 2.217 89 HB2 LYS 9 HB2 LYS 9 54.541 6.684 3.890 90 HB3 LYS 9 HB1 LYS 9 53.227 7.524 4.749 91 HG2 LYS 9 HG2 LYS 9 52.137 5.464 5.311 92 HG3 LYS 9 HG1 LYS 9 53.144 4.535 4.174 93 HD2 LYS 9 HD2 LYS 9 53.912 4.201 6.502 94 HD3 LYS 9 HD1 LYS 9 55.153 5.035 5.538 95 HE2 LYS 9 HE2 LYS 9 54.700 7.134 6.557 96 HE3 LYS 9 HE1 LYS 9 53.125 6.591 7.187 97 HZ1 LYS 9 HZ1 LYS 9 54.515 6.488 9.019 98 HZ2 LYS 9 HZ2 LYS 9 55.843 5.906 8.131 99 HZ3 LYS 9 HZ3 LYS 9 54.527 4.885 8.467 100 H LEU 10 HN LEU 10 50.894 6.013 1.230 101 HA LEU 10 HA LEU 10 48.509 6.311 1.332 102 HB2 LEU 10 HB2 LEU 10 48.724 6.502 4.340 103 HB3 LEU 10 HB1 LEU 10 47.436 5.784 3.359 104 HG LEU 10 HG LEU 10 50.203 4.569 3.719 105 HD11 LEU 10 HD11 LEU 10 49.082 2.938 5.147 106 HD12 LEU 10 HD12 LEU 10 47.514 3.734 4.875 107 HD13 LEU 10 HD13 LEU 10 48.789 4.572 5.789 108 HD21 LEU 10 HD21 LEU 10 49.183 3.977 1.576 109 HD22 LEU 10 HD22 LEU 10 47.641 3.601 2.384 110 HD23 LEU 10 HD23 LEU 10 49.073 2.585 2.678 111 H LYS 11 HN LYS 11 50.084 7.996 0.430 112 HA LYS 11 HA LYS 11 50.296 10.286 0.986 113 HB2 LYS 11 HB2 LYS 11 48.100 9.912 -0.854 114 HB3 LYS 11 HB1 LYS 11 49.147 11.305 -0.876 115 HG2 LYS 11 HG2 LYS 11 50.924 10.050 -1.796 116 HG3 LYS 11 HG1 LYS 11 50.293 8.511 -1.195 117 HD2 LYS 11 HD2 LYS 11 49.889 8.365 -3.496 118 HD3 LYS 11 HD1 LYS 11 48.326 8.939 -2.890 119 HE2 LYS 11 HE2 LYS 11 48.857 10.309 -4.781 120 HE3 LYS 11 HE1 LYS 11 49.195 11.322 -3.356 121 HZ1 LYS 11 HZ1 LYS 11 50.933 10.836 -5.363 122 HZ2 LYS 11 HZ2 LYS 11 51.416 9.683 -4.211 123 HZ3 LYS 11 HZ3 LYS 11 51.372 11.332 -3.802 124 H ASN 12 HN ASN 12 50.041 9.964 3.081 125 HA ASN 12 HA ASN 12 49.348 11.151 4.924 126 HB2 ASN 12 HB2 ASN 12 47.040 12.466 3.550 127 HB3 ASN 12 HB1 ASN 12 47.916 13.011 4.986 128 HD21 ASN 12 HD21 ASN 12 50.598 12.391 3.875 129 HD22 ASN 12 HD22 ASN 12 50.891 13.617 2.639 130 H GLU 13 HN GLU 13 47.186 9.675 2.815 131 HA GLU 13 HA GLU 13 46.689 7.533 4.489 132 HB2 GLU 13 HB2 GLU 13 44.787 9.566 5.126 133 HB3 GLU 13 HB1 GLU 13 43.927 8.337 4.182 134 HG2 GLU 13 HG2 GLU 13 45.655 7.760 6.615 135 HG3 GLU 13 HG1 GLU 13 43.879 7.887 6.629 136 H ILE 14 HN ILE 14 47.359 8.791 1.549 137 HA ILE 14 HA ILE 14 47.344 7.287 -0.300 138 HB ILE 14 HB ILE 14 44.454 6.783 0.376 139 HG12 ILE 14 HG12 ILE 14 46.366 5.342 1.380 140 HG13 ILE 14 HG11 ILE 14 44.984 4.509 0.663 141 HG21 ILE 14 HG21 ILE 14 45.887 6.414 -2.233 142 HG22 ILE 14 HG22 ILE 14 44.271 7.092 -1.934 143 HG23 ILE 14 HG23 ILE 14 44.531 5.347 -1.797 144 HD11 ILE 14 HD1 ILE 14 47.412 3.712 0.039 145 HD12 ILE 14 HD2 ILE 14 47.431 5.120 -1.036 146 HD13 ILE 14 HD3 ILE 14 46.207 3.854 -1.252 147 H LYS 15 HN LYS 15 46.433 10.026 1.000 148 HA LYS 15 HA LYS 15 46.819 11.747 -0.871 149 HB2 LYS 15 HB2 LYS 15 44.333 10.469 -1.816 150 HB3 LYS 15 HB1 LYS 15 44.511 12.205 -2.069 151 HG2 LYS 15 HG2 LYS 15 46.937 10.811 -2.992 152 HG3 LYS 15 HG1 LYS 15 45.496 10.158 -3.794 153 HD2 LYS 15 HD2 LYS 15 44.811 12.411 -4.488 154 HD3 LYS 15 HD1 LYS 15 46.181 13.129 -3.614 155 HE2 LYS 15 HE2 LYS 15 46.375 12.690 -6.218 156 HE3 LYS 15 HE1 LYS 15 47.759 12.334 -5.163 157 HZ1 LYS 15 HZ1 LYS 15 47.382 10.479 -6.599 158 HZ2 LYS 15 HZ2 LYS 15 45.736 10.404 -6.185 159 HZ3 LYS 15 HZ3 LYS 15 46.924 10.016 -5.033 160 H LYS 16 HN LYS 16 46.954 13.490 -0.044 161 HA LYS 16 HA LYS 16 46.242 15.256 1.361 162 HB2 LYS 16 HB2 LYS 16 44.646 15.295 -0.555 163 HB3 LYS 16 HB1 LYS 16 43.662 14.093 0.332 164 HG2 LYS 16 HG2 LYS 16 42.777 16.457 0.556 165 HG3 LYS 16 HG1 LYS 16 43.249 15.770 2.123 166 HD2 LYS 16 HD2 LYS 16 45.182 17.115 2.287 167 HD3 LYS 16 HD1 LYS 16 45.275 17.377 0.530 168 HE2 LYS 16 HE2 LYS 16 43.214 18.574 2.436 169 HE3 LYS 16 HE1 LYS 16 44.551 19.436 1.645 170 HZ1 LYS 16 HZ1 LYS 16 43.383 18.359 -0.470 171 HZ2 LYS 16 HZ2 LYS 16 42.936 19.876 0.151 172 HZ3 LYS 16 HZ3 LYS 16 42.021 18.496 0.532 173 H LYS 17 HN LYS 17 45.299 12.178 1.362 174 HA LYS 17 HA LYS 17 45.450 10.955 3.606 175 HB2 LYS 17 HB2 LYS 17 43.399 13.010 4.417 176 HB3 LYS 17 HB1 LYS 17 43.361 11.424 5.173 177 HG2 LYS 17 HG2 LYS 17 45.798 11.725 5.793 178 HG3 LYS 17 HG1 LYS 17 45.665 13.405 5.242 179 HD2 LYS 17 HD2 LYS 17 43.772 13.761 6.822 180 HD3 LYS 17 HD1 LYS 17 43.982 12.095 7.411 181 HE2 LYS 17 HE2 LYS 17 46.395 12.704 7.954 182 HE3 LYS 17 HE1 LYS 17 45.968 14.395 7.602 183 HZ1 LYS 17 HZ1 LYS 17 44.353 12.793 9.492 184 HZ2 LYS 17 HZ2 LYS 17 44.512 14.481 9.381 185 HZ3 LYS 17 HZ3 LYS 17 45.784 13.546 10.008 186 H TRP 18 HN TRP 18 44.487 10.423 0.997 187 HA TRP 18 HA TRP 18 43.458 8.819 0.008 188 HB2 TRP 18 HB2 TRP 18 42.668 7.679 2.303 189 HB3 TRP 18 HB1 TRP 18 41.162 8.151 1.558 190 HD1 TRP 18 HD1 TRP 18 41.750 7.548 -1.455 191 HE1 TRP 18 HE1 TRP 18 41.854 5.086 -2.269 192 HE3 TRP 18 HE3 TRP 18 42.697 5.259 3.024 193 HZ2 TRP 18 HZ2 TRP 18 42.288 2.490 -1.108 194 HZ3 TRP 18 HZ3 TRP 18 42.949 2.785 3.148 195 HH2 TRP 18 HH2 TRP 18 42.746 1.399 1.088 196 H ARG 19 HN ARG 19 43.414 11.417 -0.303 197 HA ARG 19 HA ARG 19 42.263 12.773 -1.727 198 HB2 ARG 19 HB2 ARG 19 40.120 10.620 -1.922 199 HB3 ARG 19 HB1 ARG 19 40.389 12.003 -2.997 200 HG2 ARG 19 HG2 ARG 19 42.660 10.964 -3.570 201 HG3 ARG 19 HG1 ARG 19 42.073 9.491 -2.763 202 HD2 ARG 19 HD2 ARG 19 40.091 9.483 -4.292 203 HD3 ARG 19 HD1 ARG 19 40.774 10.891 -5.140 204 HE ARG 19 HE ARG 19 42.765 8.860 -5.095 205 HH11 ARG 19 HH11 ARG 19 40.166 7.298 -5.599 206 HH12 ARG 19 HH12 ARG 19 40.137 7.272 -7.330 207 HH21 ARG 19 HH21 ARG 19 42.507 9.781 -7.672 208 HH22 ARG 19 HH22 ARG 19 41.463 8.677 -8.504 209 H LYS 20 HN LYS 20 42.675 12.992 0.386 210 HA LYS 20 HA LYS 20 42.383 13.434 2.400 211 HB2 LYS 20 HB2 LYS 20 40.972 15.337 1.522 212 HB3 LYS 20 HB1 LYS 20 39.719 14.382 2.224 213 HG2 LYS 20 HG2 LYS 20 40.362 14.796 4.436 214 HG3 LYS 20 HG1 LYS 20 42.053 15.056 3.979 215 HD2 LYS 20 HD2 LYS 20 41.361 17.210 2.877 216 HD3 LYS 20 HD1 LYS 20 39.712 16.946 3.484 217 HE2 LYS 20 HE2 LYS 20 42.174 17.038 5.276 218 HE3 LYS 20 HE1 LYS 20 41.143 18.450 4.944 219 HZ1 LYS 20 HZ1 LYS 20 40.427 17.393 6.961 220 HZ2 LYS 20 HZ2 LYS 20 40.300 15.882 6.195 221 HZ3 LYS 20 HZ3 LYS 20 39.241 17.142 5.775 222 H ALA 21 HN ALA 21 41.208 11.081 1.262 223 HA ALA 21 HA ALA 21 41.112 9.153 3.255 224 HB1 ALA 21 HB1 ALA 21 40.733 10.612 5.175 225 HB2 ALA 21 HB2 ALA 21 39.411 9.436 5.015 226 HB3 ALA 21 HB3 ALA 21 39.183 11.108 4.438 227 H VAL 22 HN VAL 22 40.222 10.077 0.769 228 HA VAL 22 HA VAL 22 38.599 9.554 -0.671 229 HB VAL 22 HB VAL 22 36.782 8.341 1.461 230 HG11 VAL 22 HG11 VAL 22 35.948 7.056 -0.462 231 HG12 VAL 22 HG12 VAL 22 37.207 7.769 -1.500 232 HG13 VAL 22 HG13 VAL 22 35.929 8.800 -0.814 233 HG21 VAL 22 HG21 VAL 22 39.218 7.027 0.189 234 HG22 VAL 22 HG22 VAL 22 37.800 6.055 0.649 235 HG23 VAL 22 HG23 VAL 22 38.685 6.969 1.886 236 H ILE 23 HN ILE 23 39.634 11.663 1.695 237 HA ILE 23 HA ILE 23 36.577 12.679 1.769 238 HB ILE 23 HB ILE 23 38.724 13.308 3.749 239 HG12 ILE 23 HG12 ILE 23 35.747 12.832 4.084 240 HG13 ILE 23 HG11 ILE 23 36.925 11.508 4.029 241 HG21 ILE 23 HG21 ILE 23 37.890 15.544 2.918 242 HG22 ILE 23 HG22 ILE 23 37.397 15.211 4.585 243 HG23 ILE 23 HG23 ILE 23 36.236 14.998 3.257 244 HD11 ILE 23 HD1 ILE 23 36.717 11.905 6.344 245 HD12 ILE 23 HD2 ILE 23 36.575 13.663 6.135 246 HD13 ILE 23 HD3 ILE 23 38.155 12.868 5.940 247 H ALA 24 HN ALA 24 39.636 13.357 0.692 248 HA ALA 24 HA ALA 24 38.751 15.580 -0.673 249 HB1 ALA 24 HB1 ALA 24 41.402 14.822 -0.457 250 HB2 ALA 24 HB2 ALA 24 40.840 16.238 -1.318 251 HB3 ALA 24 HB3 ALA 24 40.989 14.684 -2.156 252 H TRP 25 HN TRP 25 39.045 12.827 -0.629 253 HA TRP 25 HA TRP 25 37.921 11.031 -2.012 254 HB2 TRP 25 HB2 TRP 25 35.950 12.205 -1.211 255 HB3 TRP 25 HB1 TRP 25 36.080 13.369 -2.536 256 HD1 TRP 25 HD1 TRP 25 36.478 9.543 -2.998 257 HE1 TRP 25 HE1 TRP 25 34.606 8.687 -4.573 258 HE3 TRP 25 HE3 TRP 25 33.764 13.865 -3.458 259 HZ2 TRP 25 HZ2 TRP 25 32.256 9.749 -5.844 260 HZ3 TRP 25 HZ3 TRP 25 31.706 13.915 -4.859 261 HH2 TRP 25 HH2 TRP 25 30.951 11.863 -6.052 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 66.492 15.708 -3.781 2 H2 ALA 1 HT2 ALA 1 67.259 14.390 -3.031 3 H3 ALA 1 HT3 ALA 1 66.356 15.492 -2.105 4 HA ALA 1 HA ALA 1 64.373 14.695 -2.761 5 HB1 ALA 1 HB1 ALA 1 64.711 15.005 -5.140 6 HB2 ALA 1 HB2 ALA 1 64.115 13.352 -4.856 7 HB3 ALA 1 HB3 ALA 1 65.840 13.632 -5.199 8 H TRP 2 HN TRP 2 63.481 12.335 -3.072 9 HA TRP 2 HA TRP 2 65.321 10.198 -2.317 10 HB2 TRP 2 HB2 TRP 2 65.044 11.491 -0.155 11 HB3 TRP 2 HB1 TRP 2 63.310 11.093 -0.214 12 HD1 TRP 2 HD1 TRP 2 66.594 9.056 -0.664 13 HE1 TRP 2 HE1 TRP 2 66.387 6.830 0.664 14 HE3 TRP 2 HE3 TRP 2 61.886 9.691 1.248 15 HZ2 TRP 2 HZ2 TRP 2 64.426 5.530 2.324 16 HZ3 TRP 2 HZ3 TRP 2 60.868 7.945 2.702 17 HH2 TRP 2 HH2 TRP 2 62.132 5.867 3.240 18 H LYS 3 HN LYS 3 64.060 9.808 -4.408 19 HA LYS 3 HA LYS 3 62.385 8.678 -5.533 20 HB2 LYS 3 HB2 LYS 3 63.345 6.955 -3.814 21 HB3 LYS 3 HB1 LYS 3 61.810 7.186 -2.948 22 HG2 LYS 3 HG2 LYS 3 60.541 6.484 -4.924 23 HG3 LYS 3 HG1 LYS 3 62.032 6.388 -5.890 24 HD2 LYS 3 HD2 LYS 3 62.894 4.603 -4.445 25 HD3 LYS 3 HD1 LYS 3 61.461 4.728 -3.398 26 HE2 LYS 3 HE2 LYS 3 60.005 4.089 -5.288 27 HE3 LYS 3 HE1 LYS 3 61.424 3.994 -6.358 28 HZ1 LYS 3 HZ1 LYS 3 62.328 2.254 -4.958 29 HZ2 LYS 3 HZ2 LYS 3 60.776 1.818 -5.496 30 HZ3 LYS 3 HZ3 LYS 3 61.004 2.361 -3.902 31 H GLU 4 HN GLU 4 61.670 11.153 -4.154 32 HA GLU 4 HA GLU 4 59.782 12.350 -3.518 33 HB2 GLU 4 HB2 GLU 4 58.430 10.293 -5.307 34 HB3 GLU 4 HB1 GLU 4 57.770 11.880 -4.848 35 HG2 GLU 4 HG2 GLU 4 59.609 13.026 -5.973 36 HG3 GLU 4 HG1 GLU 4 60.412 11.475 -6.318 37 H LYS 5 HN LYS 5 60.427 10.807 -1.442 38 HA LYS 5 HA LYS 5 59.592 9.742 0.442 39 HB2 LYS 5 HB2 LYS 5 57.044 11.041 -0.584 40 HB3 LYS 5 HB1 LYS 5 57.243 10.351 1.040 41 HG2 LYS 5 HG2 LYS 5 59.230 12.425 0.054 42 HG3 LYS 5 HG1 LYS 5 57.638 12.963 0.625 43 HD2 LYS 5 HD2 LYS 5 59.169 11.022 2.379 44 HD3 LYS 5 HD1 LYS 5 59.739 12.702 2.313 45 HE2 LYS 5 HE2 LYS 5 58.159 12.448 4.166 46 HE3 LYS 5 HE1 LYS 5 57.432 13.479 2.914 47 HZ1 LYS 5 HZ1 LYS 5 56.027 11.606 3.900 48 HZ2 LYS 5 HZ2 LYS 5 56.973 10.554 2.959 49 HZ3 LYS 5 HZ3 LYS 5 56.046 11.766 2.212 50 H ILE 6 HN ILE 6 59.494 8.324 -2.239 51 HA ILE 6 HA ILE 6 58.586 6.372 -3.119 52 HB ILE 6 HB ILE 6 57.735 5.609 -0.292 53 HG12 ILE 6 HG12 ILE 6 60.563 5.715 -1.438 54 HG13 ILE 6 HG11 ILE 6 59.943 6.637 -0.050 55 HG21 ILE 6 HG21 ILE 6 57.381 4.131 -2.394 56 HG22 ILE 6 HG22 ILE 6 58.214 3.383 -1.013 57 HG23 ILE 6 HG23 ILE 6 59.150 3.947 -2.418 58 HD11 ILE 6 HD1 ILE 6 61.109 4.800 0.920 59 HD12 ILE 6 HD2 ILE 6 60.440 3.646 -0.257 60 HD13 ILE 6 HD3 ILE 6 59.394 4.335 1.009 61 H ARG 7 HN ARG 7 56.948 8.680 -3.040 62 HA ARG 7 HA ARG 7 54.773 9.278 -3.514 63 HB2 ARG 7 HB2 ARG 7 53.997 6.342 -3.324 64 HB3 ARG 7 HB1 ARG 7 53.146 7.646 -4.174 65 HG2 ARG 7 HG2 ARG 7 54.964 7.881 -5.777 66 HG3 ARG 7 HG1 ARG 7 55.968 6.721 -4.876 67 HD2 ARG 7 HD2 ARG 7 54.489 4.897 -5.397 68 HD3 ARG 7 HD1 ARG 7 53.245 6.001 -6.030 69 HE ARG 7 HE ARG 7 55.512 4.992 -7.515 70 HH11 ARG 7 HH11 ARG 7 56.266 6.198 -9.319 71 HH12 ARG 7 HH12 ARG 7 55.316 7.537 -9.870 72 HH21 ARG 7 HH21 ARG 7 53.095 7.398 -7.211 73 HH22 ARG 7 HH22 ARG 7 53.520 8.216 -8.677 74 H LYS 8 HN LYS 8 55.584 9.653 -0.952 75 HA LYS 8 HA LYS 8 54.654 9.901 1.187 76 HB2 LYS 8 HB2 LYS 8 52.044 9.254 0.038 77 HB3 LYS 8 HB1 LYS 8 52.413 10.269 1.444 78 HG2 LYS 8 HG2 LYS 8 53.110 10.908 -1.460 79 HG3 LYS 8 HG1 LYS 8 51.864 11.708 -0.470 80 HD2 LYS 8 HD2 LYS 8 53.789 12.256 1.184 81 HD3 LYS 8 HD1 LYS 8 54.881 11.815 -0.149 82 HE2 LYS 8 HE2 LYS 8 54.464 14.243 -0.156 83 HE3 LYS 8 HE1 LYS 8 53.768 13.489 -1.610 84 HZ1 LYS 8 HZ1 LYS 8 51.909 13.462 0.543 85 HZ2 LYS 8 HZ2 LYS 8 51.751 14.143 -1.005 86 HZ3 LYS 8 HZ3 LYS 8 52.451 15.043 0.254 87 H LYS 9 HN LYS 9 52.299 8.654 2.183 88 HA LYS 9 HA LYS 9 52.814 5.836 2.137 89 HB2 LYS 9 HB2 LYS 9 53.050 5.869 4.768 90 HB3 LYS 9 HB1 LYS 9 54.509 6.088 3.774 91 HG2 LYS 9 HG2 LYS 9 54.312 8.534 3.967 92 HG3 LYS 9 HG1 LYS 9 52.811 8.355 4.908 93 HD2 LYS 9 HD2 LYS 9 54.094 7.045 6.621 94 HD3 LYS 9 HD1 LYS 9 55.586 7.375 5.706 95 HE2 LYS 9 HE2 LYS 9 53.724 9.498 6.861 96 HE3 LYS 9 HE1 LYS 9 55.276 8.993 7.572 97 HZ1 LYS 9 HZ1 LYS 9 56.194 9.550 5.242 98 HZ2 LYS 9 HZ2 LYS 9 55.848 10.825 6.311 99 HZ3 LYS 9 HZ3 LYS 9 54.770 10.451 5.053 100 H LEU 10 HN LEU 10 50.859 6.037 1.210 101 HA LEU 10 HA LEU 10 48.476 6.262 1.390 102 HB2 LEU 10 HB2 LEU 10 48.733 6.531 4.387 103 HB3 LEU 10 HB1 LEU 10 47.445 5.780 3.449 104 HG LEU 10 HG LEU 10 49.870 4.233 2.977 105 HD11 LEU 10 HD11 LEU 10 50.766 5.063 5.081 106 HD12 LEU 10 HD12 LEU 10 50.211 3.389 5.319 107 HD13 LEU 10 HD13 LEU 10 49.224 4.748 5.910 108 HD21 LEU 10 HD21 LEU 10 47.555 3.372 2.813 109 HD22 LEU 10 HD22 LEU 10 47.344 3.597 4.567 110 HD23 LEU 10 HD23 LEU 10 48.519 2.407 3.958 111 H LYS 11 HN LYS 11 50.086 7.943 0.459 112 HA LYS 11 HA LYS 11 50.270 10.228 0.977 113 HB2 LYS 11 HB2 LYS 11 48.091 9.786 -0.869 114 HB3 LYS 11 HB1 LYS 11 49.088 11.230 -0.878 115 HG2 LYS 11 HG2 LYS 11 50.923 10.036 -1.769 116 HG3 LYS 11 HG1 LYS 11 50.307 8.468 -1.208 117 HD2 LYS 11 HD2 LYS 11 48.532 8.553 -2.899 118 HD3 LYS 11 HD1 LYS 11 49.094 10.161 -3.427 119 HE2 LYS 11 HE2 LYS 11 50.856 7.678 -3.435 120 HE3 LYS 11 HE1 LYS 11 49.924 8.227 -4.849 121 HZ1 LYS 11 HZ1 LYS 11 51.883 9.307 -5.201 122 HZ2 LYS 11 HZ2 LYS 11 52.253 9.456 -3.550 123 HZ3 LYS 11 HZ3 LYS 11 51.103 10.484 -4.262 124 H ASN 12 HN ASN 12 50.023 9.897 3.081 125 HA ASN 12 HA ASN 12 49.368 11.137 4.918 126 HB2 ASN 12 HB2 ASN 12 47.040 12.431 3.545 127 HB3 ASN 12 HB1 ASN 12 47.941 13.006 4.953 128 HD21 ASN 12 HD21 ASN 12 50.499 13.158 4.370 129 HD22 ASN 12 HD22 ASN 12 50.812 14.015 2.857 130 H GLU 13 HN GLU 13 47.159 9.667 2.838 131 HA GLU 13 HA GLU 13 46.664 7.543 4.541 132 HB2 GLU 13 HB2 GLU 13 44.772 9.601 5.149 133 HB3 GLU 13 HB1 GLU 13 43.905 8.348 4.242 134 HG2 GLU 13 HG2 GLU 13 45.664 7.811 6.664 135 HG3 GLU 13 HG1 GLU 13 43.894 7.988 6.718 136 H ILE 14 HN ILE 14 47.331 8.746 1.568 137 HA ILE 14 HA ILE 14 47.302 7.230 -0.246 138 HB ILE 14 HB ILE 14 44.413 6.654 0.415 139 HG12 ILE 14 HG12 ILE 14 46.321 5.326 1.569 140 HG13 ILE 14 HG11 ILE 14 45.009 4.409 0.836 141 HG21 ILE 14 HG21 ILE 14 45.945 6.281 -2.133 142 HG22 ILE 14 HG22 ILE 14 44.248 6.754 -1.901 143 HG23 ILE 14 HG23 ILE 14 44.727 5.064 -1.689 144 HD11 ILE 14 HD1 ILE 14 47.576 3.767 0.385 145 HD12 ILE 14 HD2 ILE 14 47.441 5.023 -0.860 146 HD13 ILE 14 HD3 ILE 14 46.362 3.613 -0.902 147 H LYS 15 HN LYS 15 46.555 9.953 0.939 148 HA LYS 15 HA LYS 15 46.838 11.658 -0.889 149 HB2 LYS 15 HB2 LYS 15 44.345 10.418 -1.844 150 HB3 LYS 15 HB1 LYS 15 44.646 12.121 -2.207 151 HG2 LYS 15 HG2 LYS 15 46.460 11.705 -3.623 152 HG3 LYS 15 HG1 LYS 15 46.831 10.141 -2.889 153 HD2 LYS 15 HD2 LYS 15 44.602 9.302 -3.879 154 HD3 LYS 15 HD1 LYS 15 44.570 10.822 -4.803 155 HE2 LYS 15 HE2 LYS 15 46.602 8.572 -4.950 156 HE3 LYS 15 HE1 LYS 15 45.611 9.259 -6.260 157 HZ1 LYS 15 HZ1 LYS 15 47.633 10.847 -4.771 158 HZ2 LYS 15 HZ2 LYS 15 46.863 11.238 -6.234 159 HZ3 LYS 15 HZ3 LYS 15 48.008 9.984 -6.182 160 H LYS 16 HN LYS 16 46.996 13.386 -0.063 161 HA LYS 16 HA LYS 16 46.262 15.190 1.269 162 HB2 LYS 16 HB2 LYS 16 44.674 15.104 -0.686 163 HB3 LYS 16 HB1 LYS 16 43.652 14.026 0.306 164 HG2 LYS 16 HG2 LYS 16 42.840 16.407 0.374 165 HG3 LYS 16 HG1 LYS 16 43.399 15.893 1.979 166 HD2 LYS 16 HD2 LYS 16 45.322 17.241 1.900 167 HD3 LYS 16 HD1 LYS 16 45.394 17.222 0.124 168 HE2 LYS 16 HE2 LYS 16 44.744 19.446 0.818 169 HE3 LYS 16 HE1 LYS 16 43.308 18.674 0.109 170 HZ1 LYS 16 HZ1 LYS 16 42.280 19.107 2.012 171 HZ2 LYS 16 HZ2 LYS 16 43.713 19.646 2.750 172 HZ3 LYS 16 HZ3 LYS 16 43.301 17.998 2.790 173 H LYS 17 HN LYS 17 45.299 12.114 1.325 174 HA LYS 17 HA LYS 17 45.447 10.934 3.588 175 HB2 LYS 17 HB2 LYS 17 43.414 13.021 4.362 176 HB3 LYS 17 HB1 LYS 17 43.350 11.449 5.140 177 HG2 LYS 17 HG2 LYS 17 45.798 11.731 5.758 178 HG3 LYS 17 HG1 LYS 17 45.673 13.408 5.197 179 HD2 LYS 17 HD2 LYS 17 43.691 13.685 6.764 180 HD3 LYS 17 HD1 LYS 17 44.102 12.090 7.438 181 HE2 LYS 17 HE2 LYS 17 46.450 12.985 7.853 182 HE3 LYS 17 HE1 LYS 17 45.831 14.597 7.421 183 HZ1 LYS 17 HZ1 LYS 17 44.805 14.785 9.376 184 HZ2 LYS 17 HZ2 LYS 17 45.743 13.467 9.895 185 HZ3 LYS 17 HZ3 LYS 17 44.166 13.215 9.314 186 H TRP 18 HN TRP 18 44.466 10.375 0.961 187 HA TRP 18 HA TRP 18 43.415 8.743 0.035 188 HB2 TRP 18 HB2 TRP 18 42.627 7.678 2.363 189 HB3 TRP 18 HB1 TRP 18 41.119 8.146 1.611 190 HD1 TRP 18 HD1 TRP 18 41.743 7.482 -1.394 191 HE1 TRP 18 HE1 TRP 18 41.807 5.002 -2.158 192 HE3 TRP 18 HE3 TRP 18 42.576 5.261 3.144 193 HZ2 TRP 18 HZ2 TRP 18 42.170 2.420 -0.940 194 HZ3 TRP 18 HZ3 TRP 18 42.777 2.785 3.317 195 HH2 TRP 18 HH2 TRP 18 42.575 1.364 1.281 196 H ARG 19 HN ARG 19 43.386 11.350 -0.363 197 HA ARG 19 HA ARG 19 42.218 12.654 -1.827 198 HB2 ARG 19 HB2 ARG 19 40.060 10.502 -1.913 199 HB3 ARG 19 HB1 ARG 19 40.309 11.842 -3.038 200 HG2 ARG 19 HG2 ARG 19 42.468 10.822 -3.751 201 HG3 ARG 19 HG1 ARG 19 42.121 9.421 -2.719 202 HD2 ARG 19 HD2 ARG 19 39.877 9.257 -4.025 203 HD3 ARG 19 HD1 ARG 19 40.651 10.344 -5.205 204 HE ARG 19 HE ARG 19 41.177 7.537 -4.953 205 HH11 ARG 19 HH11 ARG 19 43.433 6.831 -5.095 206 HH12 ARG 19 HH12 ARG 19 44.490 7.823 -6.043 207 HH21 ARG 19 HH21 ARG 19 42.238 10.449 -6.284 208 HH22 ARG 19 HH22 ARG 19 43.813 9.873 -6.716 209 H LYS 20 HN LYS 20 42.688 12.882 0.285 210 HA LYS 20 HA LYS 20 42.475 13.378 2.298 211 HB2 LYS 20 HB2 LYS 20 41.090 15.311 1.428 212 HB3 LYS 20 HB1 LYS 20 39.834 14.410 2.191 213 HG2 LYS 20 HG2 LYS 20 40.578 14.830 4.370 214 HG3 LYS 20 HG1 LYS 20 42.253 15.056 3.836 215 HD2 LYS 20 HD2 LYS 20 41.602 17.207 2.772 216 HD3 LYS 20 HD1 LYS 20 39.935 16.972 3.335 217 HE2 LYS 20 HE2 LYS 20 41.064 18.430 4.918 218 HE3 LYS 20 HE1 LYS 20 40.818 16.848 5.696 219 HZ1 LYS 20 HZ1 LYS 20 43.113 16.274 4.967 220 HZ2 LYS 20 HZ2 LYS 20 43.045 17.538 6.100 221 HZ3 LYS 20 HZ3 LYS 20 43.320 17.879 4.459 222 H ALA 21 HN ALA 21 41.195 11.058 1.248 223 HA ALA 21 HA ALA 21 41.076 9.164 3.279 224 HB1 ALA 21 HB1 ALA 21 39.231 11.202 4.449 225 HB2 ALA 21 HB2 ALA 21 40.778 10.662 5.176 226 HB3 ALA 21 HB3 ALA 21 39.409 9.539 5.057 227 H VAL 22 HN VAL 22 40.189 10.058 0.794 228 HA VAL 22 HA VAL 22 38.523 9.594 -0.619 229 HB VAL 22 HB VAL 22 36.714 8.440 1.556 230 HG11 VAL 22 HG11 VAL 22 35.787 8.916 -0.670 231 HG12 VAL 22 HG12 VAL 22 35.820 7.163 -0.368 232 HG13 VAL 22 HG13 VAL 22 37.044 7.907 -1.424 233 HG21 VAL 22 HG21 VAL 22 38.613 7.032 1.917 234 HG22 VAL 22 HG22 VAL 22 39.055 7.040 0.194 235 HG23 VAL 22 HG23 VAL 22 37.631 6.127 0.748 236 H ILE 23 HN ILE 23 39.654 11.689 1.690 237 HA ILE 23 HA ILE 23 36.637 12.806 1.801 238 HB ILE 23 HB ILE 23 38.839 13.400 3.739 239 HG12 ILE 23 HG12 ILE 23 35.865 13.001 4.181 240 HG13 ILE 23 HG11 ILE 23 36.979 11.629 4.040 241 HG21 ILE 23 HG21 ILE 23 36.373 15.123 3.260 242 HG22 ILE 23 HG22 ILE 23 38.036 15.635 2.912 243 HG23 ILE 23 HG23 ILE 23 37.540 15.326 4.583 244 HD11 ILE 23 HD1 ILE 23 36.860 13.769 6.191 245 HD12 ILE 23 HD2 ILE 23 38.360 12.852 5.917 246 HD13 ILE 23 HD3 ILE 23 36.869 12.002 6.373 247 H ALA 24 HN ALA 24 39.702 13.358 0.667 248 HA ALA 24 HA ALA 24 38.885 15.613 -0.697 249 HB1 ALA 24 HB1 ALA 24 41.006 16.194 -1.309 250 HB2 ALA 24 HB2 ALA 24 41.061 14.674 -2.221 251 HB3 ALA 24 HB3 ALA 24 41.509 14.704 -0.535 252 H TRP 25 HN TRP 25 39.071 12.851 -0.644 253 HA TRP 25 HA TRP 25 37.902 11.088 -2.063 254 HB2 TRP 25 HB2 TRP 25 35.980 12.274 -1.155 255 HB3 TRP 25 HB1 TRP 25 36.099 13.489 -2.435 256 HD1 TRP 25 HD1 TRP 25 36.272 9.633 -2.873 257 HE1 TRP 25 HE1 TRP 25 34.382 8.893 -4.492 258 HE3 TRP 25 HE3 TRP 25 33.943 14.149 -3.516 259 HZ2 TRP 25 HZ2 TRP 25 32.168 10.119 -5.866 260 HZ3 TRP 25 HZ3 TRP 25 31.942 14.338 -4.985 261 HH2 TRP 25 HH2 TRP 25 31.054 12.330 -6.160 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 63.208 17.648 0.006 2 H2 ALA 1 HT2 ALA 1 61.859 17.885 -0.999 3 H3 ALA 1 HT3 ALA 1 63.381 17.555 -1.677 4 HA ALA 1 HA ALA 1 61.739 15.739 -0.034 5 HB1 ALA 1 HB1 ALA 1 61.038 16.144 -2.423 6 HB2 ALA 1 HB2 ALA 1 61.477 14.459 -2.051 7 HB3 ALA 1 HB3 ALA 1 62.619 15.505 -2.929 8 H TRP 2 HN TRP 2 62.896 13.472 -1.364 9 HA TRP 2 HA TRP 2 65.784 13.539 -0.996 10 HB2 TRP 2 HB2 TRP 2 64.998 13.569 1.383 11 HB3 TRP 2 HB1 TRP 2 64.156 12.030 1.085 12 HD1 TRP 2 HD1 TRP 2 65.526 9.927 1.483 13 HE1 TRP 2 HE1 TRP 2 68.043 9.327 1.741 14 HE3 TRP 2 HE3 TRP 2 67.556 14.512 0.451 15 HZ2 TRP 2 HZ2 TRP 2 70.574 10.682 1.521 16 HZ3 TRP 2 HZ3 TRP 2 70.024 14.836 0.481 17 HH2 TRP 2 HH2 TRP 2 71.534 12.928 1.015 18 H LYS 3 HN LYS 3 62.753 11.729 -1.278 19 HA LYS 3 HA LYS 3 63.904 10.070 -3.375 20 HB2 LYS 3 HB2 LYS 3 64.715 9.045 -1.121 21 HB3 LYS 3 HB1 LYS 3 63.025 8.542 -0.898 22 HG2 LYS 3 HG2 LYS 3 63.088 7.311 -3.038 23 HG3 LYS 3 HG1 LYS 3 64.757 7.862 -3.321 24 HD2 LYS 3 HD2 LYS 3 65.495 6.706 -1.259 25 HD3 LYS 3 HD1 LYS 3 63.826 6.156 -0.970 26 HE2 LYS 3 HE2 LYS 3 65.005 4.338 -2.046 27 HE3 LYS 3 HE1 LYS 3 63.899 5.039 -3.250 28 HZ1 LYS 3 HZ1 LYS 3 66.033 4.737 -4.251 29 HZ2 LYS 3 HZ2 LYS 3 66.819 5.552 -2.985 30 HZ3 LYS 3 HZ3 LYS 3 65.794 6.403 -4.041 31 H GLU 4 HN GLU 4 61.763 11.861 -3.270 32 HA GLU 4 HA GLU 4 59.504 12.014 -3.772 33 HB2 GLU 4 HB2 GLU 4 59.742 9.115 -4.652 34 HB3 GLU 4 HB1 GLU 4 58.616 10.352 -5.258 35 HG2 GLU 4 HG2 GLU 4 61.656 10.405 -5.545 36 HG3 GLU 4 HG1 GLU 4 60.492 10.033 -6.838 37 H LYS 5 HN LYS 5 60.567 10.365 -1.229 38 HA LYS 5 HA LYS 5 59.572 9.368 0.611 39 HB2 LYS 5 HB2 LYS 5 57.077 10.758 -0.441 40 HB3 LYS 5 HB1 LYS 5 57.369 10.212 1.230 41 HG2 LYS 5 HG2 LYS 5 59.264 11.769 1.438 42 HG3 LYS 5 HG1 LYS 5 59.047 12.285 -0.252 43 HD2 LYS 5 HD2 LYS 5 56.814 13.159 0.265 44 HD3 LYS 5 HD1 LYS 5 56.943 12.567 1.938 45 HE2 LYS 5 HE2 LYS 5 57.493 14.934 1.938 46 HE3 LYS 5 HE1 LYS 5 58.995 14.020 2.213 47 HZ1 LYS 5 HZ1 LYS 5 58.408 14.454 -0.572 48 HZ2 LYS 5 HZ2 LYS 5 59.845 14.729 0.292 49 HZ3 LYS 5 HZ3 LYS 5 58.615 15.901 0.289 50 H ILE 6 HN ILE 6 59.471 8.040 -2.125 51 HA ILE 6 HA ILE 6 58.472 6.179 -3.097 52 HB ILE 6 HB ILE 6 57.485 5.352 -0.333 53 HG12 ILE 6 HG12 ILE 6 59.863 6.272 -0.152 54 HG13 ILE 6 HG11 ILE 6 59.660 4.578 0.323 55 HG21 ILE 6 HG21 ILE 6 58.551 3.880 -2.779 56 HG22 ILE 6 HG22 ILE 6 56.922 3.803 -2.072 57 HG23 ILE 6 HG23 ILE 6 58.303 3.097 -1.201 58 HD11 ILE 6 HD1 ILE 6 61.689 5.098 -1.152 59 HD12 ILE 6 HD2 ILE 6 60.543 5.377 -2.480 60 HD13 ILE 6 HD3 ILE 6 60.640 3.777 -1.710 61 H ARG 7 HN ARG 7 56.983 8.558 -3.014 62 HA ARG 7 HA ARG 7 54.854 9.285 -3.534 63 HB2 ARG 7 HB2 ARG 7 53.860 6.417 -3.362 64 HB3 ARG 7 HB1 ARG 7 53.174 7.774 -4.278 65 HG2 ARG 7 HG2 ARG 7 55.370 7.850 -5.593 66 HG3 ARG 7 HG1 ARG 7 55.781 6.298 -4.826 67 HD2 ARG 7 HD2 ARG 7 53.635 5.342 -5.703 68 HD3 ARG 7 HD1 ARG 7 53.339 6.874 -6.559 69 HE ARG 7 HE ARG 7 54.804 6.063 -8.209 70 HH11 ARG 7 HH11 ARG 7 57.355 6.118 -7.833 71 HH12 ARG 7 HH12 ARG 7 57.922 4.597 -7.229 72 HH21 ARG 7 HH21 ARG 7 54.777 3.510 -6.254 73 HH22 ARG 7 HH22 ARG 7 56.463 3.121 -6.335 74 H LYS 8 HN LYS 8 55.627 9.623 -0.971 75 HA LYS 8 HA LYS 8 54.674 9.924 1.150 76 HB2 LYS 8 HB2 LYS 8 52.051 9.320 0.021 77 HB3 LYS 8 HB1 LYS 8 52.457 10.391 1.375 78 HG2 LYS 8 HG2 LYS 8 53.118 10.870 -1.574 79 HG3 LYS 8 HG1 LYS 8 51.917 11.751 -0.606 80 HD2 LYS 8 HD2 LYS 8 54.939 11.758 -0.170 81 HD3 LYS 8 HD1 LYS 8 53.952 13.084 -0.803 82 HE2 LYS 8 HE2 LYS 8 52.607 12.855 1.447 83 HE3 LYS 8 HE1 LYS 8 54.059 12.003 2.023 84 HZ1 LYS 8 HZ1 LYS 8 55.396 13.894 1.466 85 HZ2 LYS 8 HZ2 LYS 8 54.105 14.416 2.441 86 HZ3 LYS 8 HZ3 LYS 8 54.076 14.698 0.765 87 H LYS 9 HN LYS 9 52.330 8.755 2.181 88 HA LYS 9 HA LYS 9 52.856 5.911 2.196 89 HB2 LYS 9 HB2 LYS 9 54.576 6.783 3.847 90 HB3 LYS 9 HB1 LYS 9 53.220 7.484 4.764 91 HG2 LYS 9 HG2 LYS 9 52.241 5.265 5.096 92 HG3 LYS 9 HG1 LYS 9 53.499 4.526 4.076 93 HD2 LYS 9 HD2 LYS 9 55.235 5.127 5.659 94 HD3 LYS 9 HD1 LYS 9 54.090 6.093 6.622 95 HE2 LYS 9 HE2 LYS 9 54.553 3.803 7.586 96 HE3 LYS 9 HE1 LYS 9 52.834 4.103 7.238 97 HZ1 LYS 9 HZ1 LYS 9 53.089 2.926 5.146 98 HZ2 LYS 9 HZ2 LYS 9 53.554 1.929 6.440 99 HZ3 LYS 9 HZ3 LYS 9 54.734 2.656 5.458 100 H LEU 10 HN LEU 10 50.887 5.986 1.265 101 HA LEU 10 HA LEU 10 48.504 6.279 1.410 102 HB2 LEU 10 HB2 LEU 10 48.773 6.540 4.408 103 HB3 LEU 10 HB1 LEU 10 47.472 5.792 3.468 104 HG LEU 10 HG LEU 10 50.252 4.600 3.819 105 HD11 LEU 10 HD11 LEU 10 49.017 4.536 5.920 106 HD12 LEU 10 HD12 LEU 10 49.004 2.911 5.192 107 HD13 LEU 10 HD13 LEU 10 47.560 3.946 5.084 108 HD21 LEU 10 HD21 LEU 10 49.178 3.982 1.688 109 HD22 LEU 10 HD22 LEU 10 47.687 3.543 2.557 110 HD23 LEU 10 HD23 LEU 10 49.174 2.598 2.806 111 H LYS 11 HN LYS 11 50.101 7.964 0.461 112 HA LYS 11 HA LYS 11 50.290 10.255 0.991 113 HB2 LYS 11 HB2 LYS 11 48.099 9.838 -0.841 114 HB3 LYS 11 HB1 LYS 11 49.116 11.262 -0.859 115 HG2 LYS 11 HG2 LYS 11 50.911 10.044 -1.794 116 HG3 LYS 11 HG1 LYS 11 50.302 8.487 -1.205 117 HD2 LYS 11 HD2 LYS 11 48.438 8.645 -2.853 118 HD3 LYS 11 HD1 LYS 11 49.138 10.170 -3.457 119 HE2 LYS 11 HE2 LYS 11 51.177 9.039 -4.127 120 HE3 LYS 11 HE1 LYS 11 50.637 7.521 -3.372 121 HZ1 LYS 11 HZ1 LYS 11 49.947 7.122 -5.474 122 HZ2 LYS 11 HZ2 LYS 11 49.798 8.765 -5.878 123 HZ3 LYS 11 HZ3 LYS 11 48.584 7.996 -4.972 124 H ASN 12 HN ASN 12 50.060 9.978 3.087 125 HA ASN 12 HA ASN 12 49.368 11.198 4.910 126 HB2 ASN 12 HB2 ASN 12 47.029 12.447 3.545 127 HB3 ASN 12 HB1 ASN 12 47.935 13.053 4.934 128 HD21 ASN 12 HD21 ASN 12 47.507 13.486 1.616 129 HD22 ASN 12 HD22 ASN 12 49.074 14.217 1.253 130 H GLU 13 HN GLU 13 47.184 9.681 2.846 131 HA GLU 13 HA GLU 13 46.720 7.566 4.572 132 HB2 GLU 13 HB2 GLU 13 44.814 9.600 5.185 133 HB3 GLU 13 HB1 GLU 13 43.950 8.358 4.259 134 HG2 GLU 13 HG2 GLU 13 45.678 7.838 6.707 135 HG3 GLU 13 HG1 GLU 13 43.899 7.917 6.696 136 H ILE 14 HN ILE 14 47.357 8.764 1.586 137 HA ILE 14 HA ILE 14 47.321 7.196 -0.220 138 HB ILE 14 HB ILE 14 44.436 6.719 0.507 139 HG12 ILE 14 HG12 ILE 14 46.363 5.303 1.530 140 HG13 ILE 14 HG11 ILE 14 44.969 4.452 0.858 141 HG21 ILE 14 HG21 ILE 14 44.259 6.968 -1.822 142 HG22 ILE 14 HG22 ILE 14 44.465 5.225 -1.613 143 HG23 ILE 14 HG23 ILE 14 45.851 6.231 -2.099 144 HD11 ILE 14 HD1 ILE 14 47.419 5.002 -0.862 145 HD12 ILE 14 HD2 ILE 14 46.166 3.764 -1.071 146 HD13 ILE 14 HD3 ILE 14 47.359 3.605 0.226 147 H LYS 15 HN LYS 15 46.448 9.967 1.020 148 HA LYS 15 HA LYS 15 46.815 11.648 -0.875 149 HB2 LYS 15 HB2 LYS 15 44.332 10.367 -1.803 150 HB3 LYS 15 HB1 LYS 15 44.557 12.088 -2.134 151 HG2 LYS 15 HG2 LYS 15 46.909 10.414 -2.893 152 HG3 LYS 15 HG1 LYS 15 45.447 10.048 -3.818 153 HD2 LYS 15 HD2 LYS 15 46.717 11.766 -4.992 154 HD3 LYS 15 HD1 LYS 15 45.229 12.499 -4.352 155 HE2 LYS 15 HE2 LYS 15 47.225 13.939 -3.955 156 HE3 LYS 15 HE1 LYS 15 46.482 13.410 -2.430 157 HZ1 LYS 15 HZ1 LYS 15 48.855 12.186 -3.748 158 HZ2 LYS 15 HZ2 LYS 15 48.127 11.620 -2.323 159 HZ3 LYS 15 HZ3 LYS 15 48.869 13.147 -2.350 160 H LYS 16 HN LYS 16 46.969 13.374 -0.069 161 HA LYS 16 HA LYS 16 46.278 15.174 1.291 162 HB2 LYS 16 HB2 LYS 16 44.682 15.159 -0.640 163 HB3 LYS 16 HB1 LYS 16 43.664 14.039 0.315 164 HG2 LYS 16 HG2 LYS 16 42.852 16.420 0.457 165 HG3 LYS 16 HG1 LYS 16 43.382 15.835 2.042 166 HD2 LYS 16 HD2 LYS 16 45.338 17.152 2.033 167 HD3 LYS 16 HD1 LYS 16 45.363 17.285 0.258 168 HE2 LYS 16 HE2 LYS 16 44.718 19.437 1.118 169 HE3 LYS 16 HE1 LYS 16 43.241 18.704 0.457 170 HZ1 LYS 16 HZ1 LYS 16 42.362 19.070 2.454 171 HZ2 LYS 16 HZ2 LYS 16 43.866 19.441 3.153 172 HZ3 LYS 16 HZ3 LYS 16 43.349 17.826 3.048 173 H LYS 17 HN LYS 17 45.291 12.115 1.347 174 HA LYS 17 HA LYS 17 45.441 10.930 3.613 175 HB2 LYS 17 HB2 LYS 17 43.402 13.012 4.383 176 HB3 LYS 17 HB1 LYS 17 43.343 11.437 5.161 177 HG2 LYS 17 HG2 LYS 17 45.788 11.722 5.784 178 HG3 LYS 17 HG1 LYS 17 45.664 13.399 5.223 179 HD2 LYS 17 HD2 LYS 17 43.757 13.756 6.799 180 HD3 LYS 17 HD1 LYS 17 43.997 12.101 7.412 181 HE2 LYS 17 HE2 LYS 17 45.141 13.760 8.856 182 HE3 LYS 17 HE1 LYS 17 46.315 12.679 8.069 183 HZ1 LYS 17 HZ1 LYS 17 45.554 15.240 6.806 184 HZ2 LYS 17 HZ2 LYS 17 46.970 14.323 6.604 185 HZ3 LYS 17 HZ3 LYS 17 46.725 15.208 8.033 186 H TRP 18 HN TRP 18 44.480 10.382 1.006 187 HA TRP 18 HA TRP 18 43.463 8.771 0.032 188 HB2 TRP 18 HB2 TRP 18 42.673 7.627 2.313 189 HB3 TRP 18 HB1 TRP 18 41.161 8.122 1.590 190 HD1 TRP 18 HD1 TRP 18 41.716 7.528 -1.445 191 HE1 TRP 18 HE1 TRP 18 41.762 5.067 -2.266 192 HE3 TRP 18 HE3 TRP 18 42.649 5.202 3.021 193 HZ2 TRP 18 HZ2 TRP 18 42.148 2.458 -1.117 194 HZ3 TRP 18 HZ3 TRP 18 42.849 2.724 3.134 195 HH2 TRP 18 HH2 TRP 18 42.599 1.350 1.070 196 H ARG 19 HN ARG 19 43.423 11.369 -0.381 197 HA ARG 19 HA ARG 19 42.228 12.672 -1.832 198 HB2 ARG 19 HB2 ARG 19 40.211 10.390 -1.969 199 HB3 ARG 19 HB1 ARG 19 40.353 11.755 -3.085 200 HG2 ARG 19 HG2 ARG 19 42.682 10.909 -3.660 201 HG3 ARG 19 HG1 ARG 19 42.280 9.433 -2.751 202 HD2 ARG 19 HD2 ARG 19 40.310 9.072 -4.224 203 HD3 ARG 19 HD1 ARG 19 40.745 10.530 -5.148 204 HE ARG 19 HE ARG 19 43.036 8.897 -5.162 205 HH11 ARG 19 HH11 ARG 19 42.604 6.530 -5.849 206 HH12 ARG 19 HH12 ARG 19 41.649 6.411 -7.288 207 HH21 ARG 19 HH21 ARG 19 40.561 9.703 -7.153 208 HH22 ARG 19 HH22 ARG 19 40.492 8.209 -8.026 209 H LYS 20 HN LYS 20 42.678 12.872 0.281 210 HA LYS 20 HA LYS 20 42.455 13.358 2.294 211 HB2 LYS 20 HB2 LYS 20 41.080 15.257 1.397 212 HB3 LYS 20 HB1 LYS 20 39.808 14.374 2.159 213 HG2 LYS 20 HG2 LYS 20 40.517 14.825 4.339 214 HG3 LYS 20 HG1 LYS 20 42.204 15.019 3.842 215 HD2 LYS 20 HD2 LYS 20 41.522 17.162 2.666 216 HD3 LYS 20 HD1 LYS 20 39.907 16.970 3.382 217 HE2 LYS 20 HE2 LYS 20 40.957 16.930 5.653 218 HE3 LYS 20 HE1 LYS 20 42.540 17.234 4.896 219 HZ1 LYS 20 HZ1 LYS 20 40.420 19.065 5.464 220 HZ2 LYS 20 HZ2 LYS 20 40.867 19.127 3.827 221 HZ3 LYS 20 HZ3 LYS 20 42.032 19.379 5.037 222 H ALA 21 HN ALA 21 41.199 11.049 1.228 223 HA ALA 21 HA ALA 21 41.097 9.120 3.231 224 HB1 ALA 21 HB1 ALA 21 39.423 9.453 5.007 225 HB2 ALA 21 HB2 ALA 21 39.231 11.124 4.430 226 HB3 ALA 21 HB3 ALA 21 40.781 10.593 5.146 227 H VAL 22 HN VAL 22 40.215 10.040 0.754 228 HA VAL 22 HA VAL 22 38.558 9.595 -0.680 229 HB VAL 22 HB VAL 22 36.750 8.376 1.456 230 HG11 VAL 22 HG11 VAL 22 37.126 7.885 -1.528 231 HG12 VAL 22 HG12 VAL 22 35.842 8.862 -0.777 232 HG13 VAL 22 HG13 VAL 22 35.902 7.107 -0.495 233 HG21 VAL 22 HG21 VAL 22 38.666 6.993 1.824 234 HG22 VAL 22 HG22 VAL 22 39.135 7.038 0.108 235 HG23 VAL 22 HG23 VAL 22 37.720 6.090 0.624 236 H ILE 23 HN ILE 23 39.648 11.649 1.677 237 HA ILE 23 HA ILE 23 36.616 12.709 1.850 238 HB ILE 23 HB ILE 23 38.834 13.327 3.752 239 HG12 ILE 23 HG12 ILE 23 35.871 12.912 4.243 240 HG13 ILE 23 HG11 ILE 23 36.979 11.540 4.063 241 HG21 ILE 23 HG21 ILE 23 38.036 15.566 2.991 242 HG22 ILE 23 HG22 ILE 23 37.498 15.222 4.642 243 HG23 ILE 23 HG23 ILE 23 36.365 15.042 3.285 244 HD11 ILE 23 HD1 ILE 23 36.888 13.640 6.253 245 HD12 ILE 23 HD2 ILE 23 38.398 12.757 5.932 246 HD13 ILE 23 HD3 ILE 23 36.932 11.871 6.400 247 H ALA 24 HN ALA 24 39.629 13.366 0.634 248 HA ALA 24 HA ALA 24 38.616 15.592 -0.674 249 HB1 ALA 24 HB1 ALA 24 41.335 14.625 -0.816 250 HB2 ALA 24 HB2 ALA 24 40.811 16.301 -0.649 251 HB3 ALA 24 HB3 ALA 24 40.735 15.495 -2.223 252 H TRP 25 HN TRP 25 39.054 12.859 -0.628 253 HA TRP 25 HA TRP 25 38.259 11.043 -2.237 254 HB2 TRP 25 HB2 TRP 25 36.017 10.969 -1.841 255 HB3 TRP 25 HB1 TRP 25 36.243 12.550 -1.071 256 HD1 TRP 25 HD1 TRP 25 34.883 10.882 -4.200 257 HE1 TRP 25 HE1 TRP 25 33.515 12.590 -5.601 258 HE3 TRP 25 HE3 TRP 25 36.054 15.162 -1.640 259 HZ2 TRP 25 HZ2 TRP 25 33.016 15.423 -5.589 260 HZ3 TRP 25 HZ3 TRP 25 35.121 17.355 -2.353 261 HH2 TRP 25 HH2 TRP 25 33.604 17.490 -4.324
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