NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25723 | 2kbl | 16090 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 -27.517 -9.141 -6.101 2 HA2 GLY 1 HA1 GLY 1 -25.544 -8.167 -4.971 3 HA3 GLY 1 HA2 GLY 1 -24.953 -9.812 -4.761 4 H TYR 2 HN TYR 2 -23.381 -8.069 -6.106 5 HA TYR 2 HA TYR 2 -23.859 -8.340 -8.956 6 HB2 TYR 2 HB2 TYR 2 -22.924 -6.240 -8.079 7 HB3 TYR 2 HB1 TYR 2 -21.536 -7.117 -7.446 8 HD1 TYR 2 HD1 TYR 2 -23.317 -6.909 -10.737 9 HD2 TYR 2 HD2 TYR 2 -19.612 -6.808 -8.649 10 HE1 TYR 2 HE1 TYR 2 -22.134 -6.570 -12.866 11 HE2 TYR 2 HE2 TYR 2 -18.416 -6.469 -10.770 12 HH TYR 2 HH TYR 2 -19.035 -5.481 -13.111 13 H ILE 3 HN ILE 3 -22.724 -9.617 -10.357 14 HA ILE 3 HA ILE 3 -21.324 -11.876 -9.182 15 HB ILE 3 HB ILE 3 -21.991 -11.330 -12.095 16 HG12 ILE 3 HG12 ILE 3 -23.992 -11.549 -10.598 17 HG13 ILE 3 HG11 ILE 3 -23.878 -12.806 -11.827 18 HG21 ILE 3 HG21 ILE 3 -21.745 -13.922 -12.124 19 HG22 ILE 3 HG22 ILE 3 -20.769 -13.663 -10.675 20 HG23 ILE 3 HG23 ILE 3 -20.311 -12.897 -12.197 21 HD11 ILE 3 HD11 ILE 3 -24.424 -14.046 -10.005 22 HD12 ILE 3 HD12 ILE 3 -23.564 -12.989 -8.889 23 HD13 ILE 3 HD13 ILE 3 -22.663 -14.114 -9.905 24 HA PRO 4 HA PRO 4 -17.438 -9.707 -9.931 25 HB2 PRO 4 HB2 PRO 4 -15.840 -11.636 -8.859 26 HB3 PRO 4 HB1 PRO 4 -16.715 -10.446 -7.889 27 HG2 PRO 4 HG2 PRO 4 -17.425 -13.294 -8.485 28 HG3 PRO 4 HG1 PRO 4 -17.557 -12.401 -6.956 29 HD2 PRO 4 HD2 PRO 4 -19.694 -12.845 -8.566 30 HD3 PRO 4 HD1 PRO 4 -19.528 -11.384 -7.575 31 H ARG 5 HN ARG 5 -15.297 -10.375 -10.915 32 HA ARG 5 HA ARG 5 -15.717 -11.493 -13.468 33 HB2 ARG 5 HB2 ARG 5 -13.888 -9.889 -12.920 34 HB3 ARG 5 HB1 ARG 5 -13.078 -11.155 -12.011 35 HG2 ARG 5 HG2 ARG 5 -11.979 -11.132 -14.050 36 HG3 ARG 5 HG1 ARG 5 -13.099 -12.489 -14.193 37 HD2 ARG 5 HD2 ARG 5 -13.211 -11.294 -16.244 38 HD3 ARG 5 HD1 ARG 5 -14.688 -10.901 -15.362 39 HE ARG 5 HE ARG 5 -12.421 -9.117 -15.893 40 HH11 ARG 5 HH11 ARG 5 -15.638 -9.560 -14.586 41 HH12 ARG 5 HH12 ARG 5 -15.866 -7.873 -14.234 42 HH21 ARG 5 HH21 ARG 5 -12.700 -6.905 -15.435 43 HH22 ARG 5 HH22 ARG 5 -14.186 -6.355 -14.710 44 H ALA 6 HN ALA 6 -15.518 -13.526 -14.240 45 HA ALA 6 HA ALA 6 -14.957 -15.644 -12.291 46 HB1 ALA 6 HB1 ALA 6 -16.244 -15.939 -15.002 47 HB2 ALA 6 HB2 ALA 6 -17.131 -15.664 -13.497 48 HB3 ALA 6 HB3 ALA 6 -16.178 -17.134 -13.705 49 HA PRO 7 HA PRO 7 -11.131 -16.152 -14.685 50 HB2 PRO 7 HB2 PRO 7 -9.686 -17.246 -12.702 51 HB3 PRO 7 HB1 PRO 7 -9.994 -15.507 -12.765 52 HG2 PRO 7 HG2 PRO 7 -11.287 -17.602 -11.083 53 HG3 PRO 7 HG1 PRO 7 -10.847 -15.938 -10.665 54 HD2 PRO 7 HD2 PRO 7 -13.390 -16.782 -11.347 55 HD3 PRO 7 HD1 PRO 7 -12.820 -15.105 -11.436 56 H ARG 8 HN ARG 8 -13.007 -17.745 -15.449 57 HA ARG 8 HA ARG 8 -12.775 -20.467 -14.617 58 HB2 ARG 8 HB2 ARG 8 -14.295 -20.842 -16.581 59 HB3 ARG 8 HB1 ARG 8 -14.868 -19.733 -15.348 60 HG2 ARG 8 HG2 ARG 8 -14.249 -17.835 -16.706 61 HG3 ARG 8 HG1 ARG 8 -13.585 -18.910 -17.936 62 HD2 ARG 8 HD2 ARG 8 -16.467 -18.900 -17.062 63 HD3 ARG 8 HD1 ARG 8 -15.847 -18.015 -18.456 64 HE ARG 8 HE ARG 8 -15.125 -20.753 -18.616 65 HH11 ARG 8 HH11 ARG 8 -17.891 -18.663 -18.891 66 HH12 ARG 8 HH12 ARG 8 -18.647 -19.595 -20.145 67 HH21 ARG 8 HH21 ARG 8 -16.138 -22.062 -20.168 68 HH22 ARG 8 HH22 ARG 8 -17.669 -21.575 -20.833 69 H ASP 9 HN ASP 9 -10.646 -18.887 -15.983 70 HA ASP 9 HA ASP 9 -9.966 -20.567 -18.254 71 HB2 ASP 9 HB2 ASP 9 -8.062 -19.030 -18.576 72 HB3 ASP 9 HB1 ASP 9 -9.596 -18.174 -18.490 73 H GLY 10 HN GLY 10 -9.989 -22.326 -16.534 74 HA2 GLY 10 HA2 GLY 10 -8.088 -23.934 -16.199 75 HA3 GLY 10 HA1 GLY 10 -7.292 -22.606 -15.359 76 H GLN 11 HN GLN 11 -10.392 -22.192 -14.587 77 HA GLN 11 HA GLN 11 -10.482 -24.103 -12.412 78 HB2 GLN 11 HB2 GLN 11 -10.864 -21.124 -12.139 79 HB3 GLN 11 HB1 GLN 11 -11.127 -22.293 -10.886 80 HG2 GLN 11 HG2 GLN 11 -8.773 -22.866 -10.875 81 HG3 GLN 11 HG1 GLN 11 -8.495 -21.746 -12.206 82 HE21 GLN 11 HE21 GLN 11 -7.842 -22.015 -9.136 83 HE22 GLN 11 HE22 GLN 11 -8.027 -20.386 -8.594 84 H ALA 12 HN ALA 12 -12.216 -25.152 -13.061 85 HA ALA 12 HA ALA 12 -14.413 -24.037 -14.463 86 HB1 ALA 12 HB1 ALA 12 -15.456 -26.315 -13.518 87 HB2 ALA 12 HB2 ALA 12 -13.745 -26.664 -13.276 88 HB3 ALA 12 HB3 ALA 12 -14.342 -26.268 -14.885 89 H TYR 13 HN TYR 13 -15.294 -22.338 -13.339 90 HA TYR 13 HA TYR 13 -16.042 -22.739 -10.581 91 HB2 TYR 13 HB2 TYR 13 -16.047 -20.328 -12.373 92 HB3 TYR 13 HB1 TYR 13 -16.937 -20.330 -10.862 93 HD1 TYR 13 HD1 TYR 13 -14.278 -22.408 -10.214 94 HD2 TYR 13 HD2 TYR 13 -15.135 -18.310 -10.887 95 HE1 TYR 13 HE1 TYR 13 -12.266 -21.783 -8.965 96 HE2 TYR 13 HE2 TYR 13 -13.132 -17.671 -9.641 97 HH TYR 13 HH TYR 13 -10.683 -19.330 -9.137 98 H VAL 14 HN VAL 14 -17.852 -23.526 -9.970 99 HA VAL 14 HA VAL 14 -20.107 -23.772 -11.751 100 HB VAL 14 HB VAL 14 -19.715 -25.652 -10.358 101 HG11 VAL 14 HG11 VAL 14 -19.984 -23.943 -7.900 102 HG12 VAL 14 HG12 VAL 14 -18.438 -24.398 -8.613 103 HG13 VAL 14 HG13 VAL 14 -19.519 -25.641 -7.986 104 HG21 VAL 14 HG21 VAL 14 -22.023 -25.429 -10.639 105 HG22 VAL 14 HG22 VAL 14 -22.128 -24.096 -9.485 106 HG23 VAL 14 HG23 VAL 14 -21.809 -25.738 -8.919 107 H ARG 15 HN ARG 15 -22.159 -22.955 -11.276 108 HA ARG 15 HA ARG 15 -22.040 -20.233 -10.331 109 HB2 ARG 15 HB2 ARG 15 -24.352 -21.793 -11.466 110 HB3 ARG 15 HB1 ARG 15 -24.366 -20.070 -11.113 111 HG2 ARG 15 HG2 ARG 15 -22.326 -19.970 -12.696 112 HG3 ARG 15 HG1 ARG 15 -22.886 -21.548 -13.249 113 HD2 ARG 15 HD2 ARG 15 -23.871 -20.021 -14.712 114 HD3 ARG 15 HD1 ARG 15 -25.157 -20.451 -13.583 115 HE ARG 15 HE ARG 15 -23.854 -17.877 -13.889 116 HH11 ARG 15 HH11 ARG 15 -25.990 -19.832 -11.885 117 HH12 ARG 15 HH12 ARG 15 -26.604 -18.465 -11.005 118 HH21 ARG 15 HH21 ARG 15 -24.658 -16.110 -12.715 119 HH22 ARG 15 HH22 ARG 15 -25.879 -16.354 -11.501 120 H LYS 16 HN LYS 16 -22.474 -19.544 -8.447 121 HA LYS 16 HA LYS 16 -24.509 -20.844 -6.800 122 HB2 LYS 16 HB2 LYS 16 -21.670 -20.329 -6.066 123 HB3 LYS 16 HB1 LYS 16 -22.872 -19.884 -4.861 124 HG2 LYS 16 HG2 LYS 16 -22.152 -22.085 -4.356 125 HG3 LYS 16 HG1 LYS 16 -23.781 -22.205 -5.016 126 HD2 LYS 16 HD2 LYS 16 -22.714 -22.704 -7.246 127 HD3 LYS 16 HD1 LYS 16 -21.179 -22.856 -6.389 128 HE2 LYS 16 HE2 LYS 16 -23.676 -24.492 -5.911 129 HE3 LYS 16 HE1 LYS 16 -22.201 -25.040 -6.708 130 HZ1 LYS 16 HZ1 LYS 16 -21.109 -24.355 -4.464 131 HZ2 LYS 16 HZ2 LYS 16 -21.925 -25.840 -4.589 132 HZ3 LYS 16 HZ3 LYS 16 -22.689 -24.502 -3.854 133 H ASP 17 HN ASP 17 -25.056 -19.148 -4.915 134 HA ASP 17 HA ASP 17 -25.935 -16.884 -6.334 135 HB2 ASP 17 HB2 ASP 17 -26.429 -15.939 -3.992 136 HB3 ASP 17 HB1 ASP 17 -27.357 -17.256 -4.656 137 H GLY 18 HN GLY 18 -24.650 -15.688 -7.146 138 HA2 GLY 18 HA2 GLY 18 -23.070 -14.062 -7.534 139 HA3 GLY 18 HA1 GLY 18 -23.294 -13.633 -5.848 140 H GLU 19 HN GLU 19 -22.286 -16.851 -6.445 141 HA GLU 19 HA GLU 19 -19.536 -16.107 -5.715 142 HB2 GLU 19 HB2 GLU 19 -21.275 -18.342 -4.708 143 HB3 GLU 19 HB1 GLU 19 -19.528 -18.398 -4.548 144 HG2 GLU 19 HG2 GLU 19 -21.179 -16.124 -3.508 145 HG3 GLU 19 HG1 GLU 19 -20.790 -17.555 -2.553 146 H TRP 20 HN TRP 20 -17.863 -17.133 -6.590 147 HA TRP 20 HA TRP 20 -18.413 -19.067 -8.745 148 HB2 TRP 20 HB2 TRP 20 -16.373 -16.862 -8.542 149 HB3 TRP 20 HB1 TRP 20 -16.102 -18.245 -9.582 150 HD1 TRP 20 HD1 TRP 20 -17.149 -14.892 -10.003 151 HE1 TRP 20 HE1 TRP 20 -18.771 -14.614 -11.992 152 HE3 TRP 20 HE3 TRP 20 -18.520 -19.754 -10.590 153 HZ2 TRP 20 HZ2 TRP 20 -20.428 -16.267 -13.588 154 HZ3 TRP 20 HZ3 TRP 20 -20.109 -20.342 -12.339 155 HH2 TRP 20 HH2 TRP 20 -21.064 -18.635 -13.817 156 H VAL 21 HN VAL 21 -17.659 -20.993 -8.482 157 HA VAL 21 HA VAL 21 -15.507 -21.393 -6.492 158 HB VAL 21 HB VAL 21 -17.331 -23.521 -6.332 159 HG11 VAL 21 HG11 VAL 21 -17.292 -21.330 -4.321 160 HG12 VAL 21 HG12 VAL 21 -15.822 -22.266 -4.601 161 HG13 VAL 21 HG13 VAL 21 -17.298 -23.078 -4.071 162 HG21 VAL 21 HG21 VAL 21 -19.088 -22.332 -7.294 163 HG22 VAL 21 HG22 VAL 21 -18.638 -20.841 -6.467 164 HG23 VAL 21 HG23 VAL 21 -19.351 -22.177 -5.555 165 H LEU 22 HN LEU 22 -14.031 -22.919 -6.992 166 HA LEU 22 HA LEU 22 -14.068 -24.101 -9.579 167 HB2 LEU 22 HB2 LEU 22 -12.162 -23.362 -7.775 168 HB3 LEU 22 HB1 LEU 22 -12.194 -25.082 -7.547 169 HG LEU 22 HG LEU 22 -11.453 -23.530 -9.999 170 HD11 LEU 22 HD11 LEU 22 -9.797 -24.170 -8.183 171 HD12 LEU 22 HD12 LEU 22 -9.388 -24.582 -9.850 172 HD13 LEU 22 HD13 LEU 22 -9.997 -25.827 -8.756 173 HD21 LEU 22 HD21 LEU 22 -13.077 -25.453 -10.478 174 HD22 LEU 22 HD22 LEU 22 -11.738 -26.507 -10.028 175 HD23 LEU 22 HD23 LEU 22 -11.564 -25.394 -11.381 176 H LEU 23 HN LEU 23 -14.827 -26.115 -10.113 177 HA LEU 23 HA LEU 23 -15.872 -27.668 -7.849 178 HB2 LEU 23 HB2 LEU 23 -17.624 -28.330 -9.175 179 HB3 LEU 23 HB1 LEU 23 -17.276 -26.721 -9.786 180 HG LEU 23 HG LEU 23 -15.689 -28.202 -11.375 181 HD11 LEU 23 HD11 LEU 23 -16.634 -30.193 -12.038 182 HD12 LEU 23 HD12 LEU 23 -18.173 -29.837 -11.252 183 HD13 LEU 23 HD13 LEU 23 -16.756 -30.236 -10.280 184 HD21 LEU 23 HD21 LEU 23 -17.382 -26.418 -11.926 185 HD22 LEU 23 HD22 LEU 23 -18.576 -27.710 -12.024 186 HD23 LEU 23 HD23 LEU 23 -17.193 -27.701 -13.115 187 H SER 24 HN SER 24 -13.825 -27.889 -10.644 188 HA SER 24 HA SER 24 -13.584 -30.541 -11.201 189 HB2 SER 24 HB2 SER 24 -11.159 -30.129 -11.636 190 HB3 SER 24 HB1 SER 24 -12.226 -28.920 -12.353 191 HG SER 24 HG SER 24 -10.252 -28.224 -11.114 192 H THR 25 HN THR 25 -12.056 -28.847 -8.615 193 HA THR 25 HA THR 25 -10.430 -30.739 -7.548 194 HB THR 25 HB THR 25 -10.645 -28.350 -6.908 195 HG1 THR 25 HG1 THR 25 -10.126 -30.406 -5.228 196 HG21 THR 25 HG21 THR 25 -12.717 -27.701 -6.389 197 HG22 THR 25 HG22 THR 25 -12.179 -28.132 -4.766 198 HG23 THR 25 HG23 THR 25 -13.150 -29.265 -5.703 199 H PHE 26 HN PHE 26 -13.868 -30.422 -7.163 200 HA PHE 26 HA PHE 26 -14.244 -32.216 -5.006 201 HB2 PHE 26 HB2 PHE 26 -16.194 -31.531 -7.206 202 HB3 PHE 26 HB1 PHE 26 -16.602 -32.262 -5.659 203 HD1 PHE 26 HD1 PHE 26 -15.130 -30.667 -3.756 204 HD2 PHE 26 HD2 PHE 26 -17.178 -29.459 -7.281 205 HE1 PHE 26 HE1 PHE 26 -15.498 -28.453 -2.762 206 HE2 PHE 26 HE2 PHE 26 -17.551 -27.227 -6.294 207 HZ PHE 26 HZ PHE 26 -16.716 -26.720 -4.042 208 H LEU 27 HN LEU 27 -14.561 -32.673 -8.493 209 HA LEU 27 HA LEU 27 -14.724 -35.569 -8.080 210 HB2 LEU 27 HB2 LEU 27 -15.382 -33.781 -10.403 211 HB3 LEU 27 HB1 LEU 27 -15.323 -35.525 -10.552 212 HG LEU 27 HG LEU 27 -17.175 -33.982 -8.738 213 HD11 LEU 27 HD11 LEU 27 -17.405 -34.977 -11.502 214 HD12 LEU 27 HD12 LEU 27 -18.257 -33.667 -10.688 215 HD13 LEU 27 HD13 LEU 27 -18.766 -35.334 -10.436 216 HD21 LEU 27 HD21 LEU 27 -17.508 -35.885 -7.646 217 HD22 LEU 27 HD22 LEU 27 -16.313 -36.695 -8.660 218 HD23 LEU 27 HD23 LEU 27 -18.007 -36.650 -9.148 Start of MODEL 2 1 H GLY 1 H GLY 1 -26.297 -7.251 -4.947 2 HA2 GLY 1 HA1 GLY 1 -25.735 -9.531 -4.920 3 HA3 GLY 1 HA2 GLY 1 -27.160 -9.925 -5.869 4 H TYR 2 HN TYR 2 -23.923 -8.627 -5.945 5 HA TYR 2 HA TYR 2 -24.082 -8.385 -8.857 6 HB2 TYR 2 HB2 TYR 2 -23.092 -6.465 -7.718 7 HB3 TYR 2 HB1 TYR 2 -21.914 -7.510 -6.932 8 HD1 TYR 2 HD1 TYR 2 -23.092 -6.942 -10.446 9 HD2 TYR 2 HD2 TYR 2 -19.781 -7.339 -7.797 10 HE1 TYR 2 HE1 TYR 2 -21.551 -6.644 -12.334 11 HE2 TYR 2 HE2 TYR 2 -18.233 -7.037 -9.684 12 HH TYR 2 HH TYR 2 -18.912 -7.458 -12.713 13 H ILE 3 HN ILE 3 -22.996 -9.680 -10.226 14 HA ILE 3 HA ILE 3 -21.676 -12.025 -9.059 15 HB ILE 3 HB ILE 3 -22.555 -11.556 -11.922 16 HG12 ILE 3 HG12 ILE 3 -24.448 -11.682 -10.331 17 HG13 ILE 3 HG11 ILE 3 -24.418 -13.052 -11.437 18 HG21 ILE 3 HG21 ILE 3 -22.192 -13.969 -12.190 19 HG22 ILE 3 HG22 ILE 3 -21.575 -14.051 -10.539 20 HG23 ILE 3 HG23 ILE 3 -20.708 -13.120 -11.761 21 HD11 ILE 3 HD11 ILE 3 -22.952 -13.906 -9.239 22 HD12 ILE 3 HD12 ILE 3 -24.605 -14.357 -9.647 23 HD13 ILE 3 HD13 ILE 3 -24.305 -13.004 -8.554 24 HA PRO 4 HA PRO 4 -17.895 -9.790 -10.100 25 HB2 PRO 4 HB2 PRO 4 -16.212 -11.717 -9.112 26 HB3 PRO 4 HB1 PRO 4 -16.963 -10.458 -8.127 27 HG2 PRO 4 HG2 PRO 4 -17.771 -13.311 -8.508 28 HG3 PRO 4 HG1 PRO 4 -17.765 -12.329 -7.030 29 HD2 PRO 4 HD2 PRO 4 -20.025 -12.835 -8.407 30 HD3 PRO 4 HD1 PRO 4 -19.769 -11.301 -7.555 31 H ARG 5 HN ARG 5 -15.829 -10.415 -11.224 32 HA ARG 5 HA ARG 5 -16.456 -11.736 -13.682 33 HB2 ARG 5 HB2 ARG 5 -14.946 -9.839 -13.662 34 HB3 ARG 5 HB1 ARG 5 -13.851 -10.669 -12.570 35 HG2 ARG 5 HG2 ARG 5 -13.335 -12.300 -14.295 36 HG3 ARG 5 HG1 ARG 5 -14.477 -11.513 -15.390 37 HD2 ARG 5 HD2 ARG 5 -13.164 -9.513 -15.429 38 HD3 ARG 5 HD1 ARG 5 -12.108 -10.120 -14.156 39 HE ARG 5 HE ARG 5 -11.973 -11.936 -16.262 40 HH11 ARG 5 HH11 ARG 5 -11.171 -8.592 -15.643 41 HH12 ARG 5 HH12 ARG 5 -9.869 -8.551 -16.796 42 HH21 ARG 5 HH21 ARG 5 -10.255 -11.902 -17.761 43 HH22 ARG 5 HH22 ARG 5 -9.342 -10.444 -18.004 44 H ALA 6 HN ALA 6 -16.106 -13.786 -14.273 45 HA ALA 6 HA ALA 6 -14.932 -15.585 -12.287 46 HB1 ALA 6 HB1 ALA 6 -15.830 -17.376 -13.821 47 HB2 ALA 6 HB2 ALA 6 -16.590 -16.083 -14.750 48 HB3 ALA 6 HB3 ALA 6 -17.035 -16.338 -13.061 49 HA PRO 7 HA PRO 7 -11.334 -15.646 -15.053 50 HB2 PRO 7 HB2 PRO 7 -9.492 -16.045 -13.148 51 HB3 PRO 7 HB1 PRO 7 -10.236 -14.460 -13.391 52 HG2 PRO 7 HG2 PRO 7 -10.731 -16.482 -11.267 53 HG3 PRO 7 HG1 PRO 7 -10.799 -14.713 -11.177 54 HD2 PRO 7 HD2 PRO 7 -12.986 -16.468 -11.465 55 HD3 PRO 7 HD1 PRO 7 -13.017 -14.705 -11.664 56 H ARG 8 HN ARG 8 -12.938 -17.793 -15.176 57 HA ARG 8 HA ARG 8 -11.624 -20.098 -14.108 58 HB2 ARG 8 HB2 ARG 8 -13.415 -21.333 -15.341 59 HB3 ARG 8 HB1 ARG 8 -13.901 -20.241 -14.065 60 HG2 ARG 8 HG2 ARG 8 -14.641 -18.599 -15.662 61 HG3 ARG 8 HG1 ARG 8 -14.018 -19.577 -16.991 62 HD2 ARG 8 HD2 ARG 8 -16.190 -20.466 -15.093 63 HD3 ARG 8 HD1 ARG 8 -16.476 -19.768 -16.689 64 HE ARG 8 HE ARG 8 -14.782 -21.857 -17.172 65 HH11 ARG 8 HH11 ARG 8 -17.822 -21.578 -15.491 66 HH12 ARG 8 HH12 ARG 8 -18.395 -23.140 -15.991 67 HH21 ARG 8 HH21 ARG 8 -15.512 -23.903 -17.843 68 HH22 ARG 8 HH22 ARG 8 -17.083 -24.458 -17.344 69 H ASP 9 HN ASP 9 -9.755 -19.451 -15.166 70 HA ASP 9 HA ASP 9 -9.562 -20.575 -17.867 71 HB2 ASP 9 HB2 ASP 9 -8.971 -18.119 -17.641 72 HB3 ASP 9 HB1 ASP 9 -7.611 -18.653 -16.672 73 H GLY 10 HN GLY 10 -9.513 -22.616 -16.692 74 HA2 GLY 10 HA2 GLY 10 -7.800 -24.361 -16.519 75 HA3 GLY 10 HA1 GLY 10 -6.811 -23.197 -15.643 76 H GLN 11 HN GLN 11 -9.900 -22.688 -14.722 77 HA GLN 11 HA GLN 11 -10.097 -24.712 -12.688 78 HB2 GLN 11 HB2 GLN 11 -10.529 -22.825 -11.025 79 HB3 GLN 11 HB1 GLN 11 -8.855 -23.144 -11.433 80 HG2 GLN 11 HG2 GLN 11 -9.049 -21.276 -13.103 81 HG3 GLN 11 HG1 GLN 11 -10.609 -20.898 -12.376 82 HE21 GLN 11 HE21 GLN 11 -7.675 -19.762 -12.455 83 HE22 GLN 11 HE22 GLN 11 -7.461 -19.223 -10.825 84 H ALA 12 HN ALA 12 -12.002 -25.421 -13.308 85 HA ALA 12 HA ALA 12 -14.024 -23.947 -14.580 86 HB1 ALA 12 HB1 ALA 12 -13.678 -26.667 -13.524 87 HB2 ALA 12 HB2 ALA 12 -14.338 -26.117 -15.065 88 HB3 ALA 12 HB3 ALA 12 -15.346 -26.097 -13.617 89 H TYR 13 HN TYR 13 -15.007 -22.251 -13.562 90 HA TYR 13 HA TYR 13 -15.790 -22.635 -10.773 91 HB2 TYR 13 HB2 TYR 13 -15.570 -20.148 -12.454 92 HB3 TYR 13 HB1 TYR 13 -16.572 -20.169 -11.014 93 HD1 TYR 13 HD2 TYR 13 -13.897 -22.394 -10.523 94 HD2 TYR 13 HD1 TYR 13 -14.862 -18.262 -10.558 95 HE1 TYR 13 HE2 TYR 13 -11.944 -21.927 -9.116 96 HE2 TYR 13 HE1 TYR 13 -12.917 -17.776 -9.154 97 HH TYR 13 HH TYR 13 -10.424 -19.946 -8.686 98 H VAL 14 HN VAL 14 -17.683 -23.250 -10.220 99 HA VAL 14 HA VAL 14 -19.871 -23.295 -12.137 100 HB VAL 14 HB VAL 14 -19.475 -25.328 -10.918 101 HG11 VAL 14 HG11 VAL 14 -19.507 -25.561 -8.556 102 HG12 VAL 14 HG12 VAL 14 -20.037 -23.893 -8.345 103 HG13 VAL 14 HG13 VAL 14 -18.414 -24.228 -8.942 104 HG21 VAL 14 HG21 VAL 14 -21.831 -24.680 -11.420 105 HG22 VAL 14 HG22 VAL 14 -21.971 -24.147 -9.743 106 HG23 VAL 14 HG23 VAL 14 -21.640 -25.841 -10.107 107 H ARG 15 HN ARG 15 -21.970 -22.574 -11.472 108 HA ARG 15 HA ARG 15 -21.820 -19.939 -10.334 109 HB2 ARG 15 HB2 ARG 15 -24.146 -21.528 -11.410 110 HB3 ARG 15 HB1 ARG 15 -24.290 -19.890 -10.791 111 HG2 ARG 15 HG2 ARG 15 -22.632 -19.169 -12.505 112 HG3 ARG 15 HG1 ARG 15 -22.707 -20.797 -13.184 113 HD2 ARG 15 HD2 ARG 15 -24.181 -19.290 -14.402 114 HD3 ARG 15 HD1 ARG 15 -25.110 -20.530 -13.562 115 HE ARG 15 HE ARG 15 -26.094 -18.895 -12.293 116 HH11 ARG 15 HH11 ARG 15 -23.344 -17.535 -13.964 117 HH12 ARG 15 HH12 ARG 15 -23.668 -15.907 -13.448 118 HH21 ARG 15 HH21 ARG 15 -26.508 -16.754 -11.576 119 HH22 ARG 15 HH22 ARG 15 -25.455 -15.473 -12.086 120 H LYS 16 HN LYS 16 -22.265 -19.308 -8.386 121 HA LYS 16 HA LYS 16 -23.892 -20.998 -6.626 122 HB2 LYS 16 HB2 LYS 16 -21.128 -20.773 -6.343 123 HB3 LYS 16 HB1 LYS 16 -21.759 -19.576 -5.219 124 HG2 LYS 16 HG2 LYS 16 -21.404 -21.674 -4.084 125 HG3 LYS 16 HG1 LYS 16 -23.128 -21.309 -4.155 126 HD2 LYS 16 HD2 LYS 16 -23.372 -22.839 -6.061 127 HD3 LYS 16 HD1 LYS 16 -21.645 -23.198 -5.984 128 HE2 LYS 16 HE2 LYS 16 -22.963 -24.948 -4.902 129 HE3 LYS 16 HE1 LYS 16 -21.932 -24.114 -3.738 130 HZ1 LYS 16 HZ1 LYS 16 -24.673 -24.496 -3.599 131 HZ2 LYS 16 HZ2 LYS 16 -24.447 -22.835 -3.879 132 HZ3 LYS 16 HZ3 LYS 16 -23.710 -23.565 -2.550 133 H ASP 17 HN ASP 17 -24.267 -19.438 -4.496 134 HA ASP 17 HA ASP 17 -25.608 -17.224 -5.658 135 HB2 ASP 17 HB2 ASP 17 -25.932 -16.514 -3.209 136 HB3 ASP 17 HB1 ASP 17 -26.792 -17.868 -3.898 137 H GLY 18 HN GLY 18 -24.497 -15.934 -6.538 138 HA2 GLY 18 HA2 GLY 18 -23.137 -14.148 -6.991 139 HA3 GLY 18 HA1 GLY 18 -23.264 -13.792 -5.279 140 H GLU 19 HN GLU 19 -21.962 -16.879 -6.006 141 HA GLU 19 HA GLU 19 -19.236 -15.824 -5.561 142 HB2 GLU 19 HB2 GLU 19 -20.441 -18.376 -4.472 143 HB3 GLU 19 HB1 GLU 19 -18.768 -17.892 -4.266 144 HG2 GLU 19 HG2 GLU 19 -21.114 -16.314 -3.241 145 HG3 GLU 19 HG1 GLU 19 -20.230 -17.514 -2.303 146 H TRP 20 HN TRP 20 -17.507 -16.893 -6.536 147 HA TRP 20 HA TRP 20 -18.245 -18.794 -8.662 148 HB2 TRP 20 HB2 TRP 20 -16.099 -16.676 -8.598 149 HB3 TRP 20 HB1 TRP 20 -15.954 -18.066 -9.654 150 HD1 TRP 20 HD1 TRP 20 -17.007 -14.665 -9.916 151 HE1 TRP 20 HE1 TRP 20 -18.726 -14.338 -11.811 152 HE3 TRP 20 HE3 TRP 20 -18.328 -19.527 -10.614 153 HZ2 TRP 20 HZ2 TRP 20 -20.418 -15.967 -13.402 154 HZ3 TRP 20 HZ3 TRP 20 -19.983 -20.081 -12.327 155 HH2 TRP 20 HH2 TRP 20 -21.016 -18.332 -13.702 156 H VAL 21 HN VAL 21 -17.552 -20.758 -8.479 157 HA VAL 21 HA VAL 21 -15.401 -21.317 -6.527 158 HB VAL 21 HB VAL 21 -17.351 -23.382 -6.632 159 HG11 VAL 21 HG11 VAL 21 -17.516 -21.975 -4.192 160 HG12 VAL 21 HG12 VAL 21 -15.838 -21.919 -4.721 161 HG13 VAL 21 HG13 VAL 21 -16.644 -23.473 -4.526 162 HG21 VAL 21 HG21 VAL 21 -18.399 -20.622 -6.553 163 HG22 VAL 21 HG22 VAL 21 -19.146 -21.827 -5.507 164 HG23 VAL 21 HG23 VAL 21 -19.101 -22.080 -7.253 165 H LEU 22 HN LEU 22 -14.015 -22.971 -6.966 166 HA LEU 22 HA LEU 22 -13.951 -24.020 -9.628 167 HB2 LEU 22 HB2 LEU 22 -12.079 -23.490 -7.734 168 HB3 LEU 22 HB1 LEU 22 -12.287 -25.199 -7.507 169 HG LEU 22 HG LEU 22 -11.198 -23.725 -9.875 170 HD11 LEU 22 HD11 LEU 22 -9.348 -24.470 -8.909 171 HD12 LEU 22 HD12 LEU 22 -9.819 -26.066 -9.491 172 HD13 LEU 22 HD13 LEU 22 -10.235 -25.563 -7.852 173 HD21 LEU 22 HD21 LEU 22 -12.099 -26.588 -9.977 174 HD22 LEU 22 HD22 LEU 22 -11.381 -25.635 -11.276 175 HD23 LEU 22 HD23 LEU 22 -12.994 -25.240 -10.684 176 H LEU 23 HN LEU 23 -14.696 -26.055 -10.277 177 HA LEU 23 HA LEU 23 -16.022 -27.554 -8.103 178 HB2 LEU 23 HB2 LEU 23 -17.743 -28.068 -9.550 179 HB3 LEU 23 HB1 LEU 23 -17.269 -26.457 -10.042 180 HG LEU 23 HG LEU 23 -15.703 -27.883 -11.658 181 HD11 LEU 23 HD11 LEU 23 -18.007 -29.453 -12.289 182 HD12 LEU 23 HD12 LEU 23 -17.445 -29.811 -10.654 183 HD13 LEU 23 HD13 LEU 23 -16.339 -29.956 -12.021 184 HD21 LEU 23 HD21 LEU 23 -17.169 -26.029 -12.274 185 HD22 LEU 23 HD22 LEU 23 -18.552 -27.125 -12.239 186 HD23 LEU 23 HD23 LEU 23 -17.267 -27.363 -13.423 187 H SER 24 HN SER 24 -13.793 -27.832 -10.720 188 HA SER 24 HA SER 24 -13.702 -30.450 -11.421 189 HB2 SER 24 HB2 SER 24 -11.199 -30.235 -11.545 190 HB3 SER 24 HB1 SER 24 -12.097 -28.942 -12.339 191 HG SER 24 HG SER 24 -10.766 -27.774 -11.171 192 H THR 25 HN THR 25 -12.298 -29.066 -8.609 193 HA THR 25 HA THR 25 -11.059 -31.279 -7.521 194 HB THR 25 HB THR 25 -11.301 -29.894 -5.390 195 HG1 THR 25 HG1 THR 25 -13.162 -28.758 -5.926 196 HG21 THR 25 HG21 THR 25 -10.096 -28.825 -7.912 197 HG22 THR 25 HG22 THR 25 -9.287 -29.614 -6.557 198 HG23 THR 25 HG23 THR 25 -9.932 -27.983 -6.371 199 H PHE 26 HN PHE 26 -14.381 -30.494 -7.531 200 HA PHE 26 HA PHE 26 -15.166 -31.935 -5.187 201 HB2 PHE 26 HB2 PHE 26 -16.799 -30.956 -7.537 202 HB3 PHE 26 HB1 PHE 26 -17.463 -31.598 -6.039 203 HD1 PHE 26 HD2 PHE 26 -14.881 -30.031 -4.684 204 HD2 PHE 26 HD1 PHE 26 -18.346 -29.047 -6.940 205 HE1 PHE 26 HE2 PHE 26 -14.890 -27.796 -3.668 206 HE2 PHE 26 HE1 PHE 26 -18.377 -26.808 -5.931 207 HZ PHE 26 HZ PHE 26 -16.645 -26.168 -4.290 208 H LEU 27 HN LEU 27 -14.502 -32.754 -8.442 209 HA LEU 27 HA LEU 27 -15.388 -35.486 -7.898 210 HB2 LEU 27 HB2 LEU 27 -16.069 -35.459 -10.426 211 HB3 LEU 27 HB1 LEU 27 -17.177 -34.933 -9.176 212 HG LEU 27 HG LEU 27 -16.440 -32.562 -9.682 213 HD11 LEU 27 HD11 LEU 27 -15.362 -33.790 -12.206 214 HD12 LEU 27 HD12 LEU 27 -14.358 -33.199 -10.884 215 HD13 LEU 27 HD13 LEU 27 -15.397 -32.084 -11.771 216 HD21 LEU 27 HD21 LEU 27 -18.482 -32.774 -10.556 217 HD22 LEU 27 HD22 LEU 27 -18.120 -34.341 -11.282 218 HD23 LEU 27 HD23 LEU 27 -17.633 -32.857 -12.100 Start of MODEL 3 1 H GLY 1 H GLY 1 -25.934 -6.521 -4.667 2 HA2 GLY 1 HA1 GLY 1 -24.726 -5.934 -6.524 3 HA3 GLY 1 HA2 GLY 1 -23.685 -7.100 -5.719 4 H TYR 2 HN TYR 2 -23.062 -6.861 -8.207 5 HA TYR 2 HA TYR 2 -24.577 -8.751 -9.839 6 HB2 TYR 2 HB2 TYR 2 -22.959 -8.123 -11.638 7 HB3 TYR 2 HB1 TYR 2 -23.890 -6.770 -11.017 8 HD1 TYR 2 HD1 TYR 2 -20.621 -8.468 -10.249 9 HD2 TYR 2 HD2 TYR 2 -22.743 -4.817 -10.745 10 HE1 TYR 2 HE1 TYR 2 -18.545 -7.214 -9.847 11 HE2 TYR 2 HE2 TYR 2 -20.678 -3.557 -10.347 12 HH TYR 2 HH TYR 2 -18.020 -4.219 -10.685 13 H ILE 3 HN ILE 3 -23.261 -10.293 -11.166 14 HA ILE 3 HA ILE 3 -21.807 -11.912 -9.301 15 HB ILE 3 HB ILE 3 -23.484 -12.702 -11.119 16 HG12 ILE 3 HG12 ILE 3 -20.871 -14.126 -10.662 17 HG13 ILE 3 HG11 ILE 3 -22.255 -14.138 -9.579 18 HG21 ILE 3 HG21 ILE 3 -22.923 -12.585 -13.263 19 HG22 ILE 3 HG22 ILE 3 -21.446 -13.500 -12.954 20 HG23 ILE 3 HG23 ILE 3 -21.442 -11.742 -12.810 21 HD11 ILE 3 HD11 ILE 3 -22.792 -14.999 -12.336 22 HD12 ILE 3 HD12 ILE 3 -23.370 -15.652 -10.806 23 HD13 ILE 3 HD13 ILE 3 -21.754 -16.062 -11.383 24 HA PRO 4 HA PRO 4 -17.870 -10.112 -10.266 25 HB2 PRO 4 HB2 PRO 4 -16.722 -12.608 -9.232 26 HB3 PRO 4 HB1 PRO 4 -16.513 -10.953 -8.659 27 HG2 PRO 4 HG2 PRO 4 -17.979 -12.822 -7.331 28 HG3 PRO 4 HG1 PRO 4 -18.294 -11.083 -7.236 29 HD2 PRO 4 HD2 PRO 4 -19.789 -13.196 -8.667 30 HD3 PRO 4 HD1 PRO 4 -20.358 -11.655 -8.009 31 H ARG 5 HN ARG 5 -15.803 -10.784 -11.360 32 HA ARG 5 HA ARG 5 -16.416 -12.087 -13.827 33 HB2 ARG 5 HB2 ARG 5 -14.839 -10.201 -13.688 34 HB3 ARG 5 HB1 ARG 5 -13.743 -11.187 -12.726 35 HG2 ARG 5 HG2 ARG 5 -12.981 -11.107 -15.012 36 HG3 ARG 5 HG1 ARG 5 -13.513 -12.745 -14.623 37 HD2 ARG 5 HD2 ARG 5 -15.769 -12.041 -15.606 38 HD3 ARG 5 HD1 ARG 5 -14.895 -10.662 -16.272 39 HE ARG 5 HE ARG 5 -13.500 -12.982 -16.957 40 HH11 ARG 5 HH11 ARG 5 -16.557 -11.415 -17.622 41 HH12 ARG 5 HH12 ARG 5 -16.734 -12.127 -19.195 42 HH21 ARG 5 HH21 ARG 5 -13.696 -13.880 -19.042 43 HH22 ARG 5 HH22 ARG 5 -15.078 -13.511 -20.030 44 H ALA 6 HN ALA 6 -16.230 -14.184 -14.315 45 HA ALA 6 HA ALA 6 -15.164 -16.008 -12.332 46 HB1 ALA 6 HB1 ALA 6 -16.780 -16.274 -14.819 47 HB2 ALA 6 HB2 ALA 6 -17.088 -16.907 -13.200 48 HB3 ALA 6 HB3 ALA 6 -15.888 -17.682 -14.236 49 HA PRO 7 HA PRO 7 -11.310 -16.081 -14.677 50 HB2 PRO 7 HB2 PRO 7 -9.764 -16.993 -12.664 51 HB3 PRO 7 HB1 PRO 7 -10.287 -15.306 -12.757 52 HG2 PRO 7 HG2 PRO 7 -11.240 -17.497 -10.997 53 HG3 PRO 7 HG1 PRO 7 -11.188 -15.751 -10.699 54 HD2 PRO 7 HD2 PRO 7 -13.439 -17.279 -11.458 55 HD3 PRO 7 HD1 PRO 7 -13.320 -15.509 -11.406 56 H ARG 8 HN ARG 8 -12.985 -17.953 -15.403 57 HA ARG 8 HA ARG 8 -12.102 -20.581 -14.651 58 HB2 ARG 8 HB2 ARG 8 -13.886 -21.286 -16.221 59 HB3 ARG 8 HB1 ARG 8 -14.366 -20.320 -14.844 60 HG2 ARG 8 HG2 ARG 8 -14.493 -18.336 -16.286 61 HG3 ARG 8 HG1 ARG 8 -14.068 -19.343 -17.674 62 HD2 ARG 8 HD2 ARG 8 -16.075 -20.689 -17.301 63 HD3 ARG 8 HD1 ARG 8 -16.494 -19.683 -15.915 64 HE ARG 8 HE ARG 8 -16.168 -18.079 -18.234 65 HH11 ARG 8 HH11 ARG 8 -18.371 -20.310 -16.692 66 HH12 ARG 8 HH12 ARG 8 -19.777 -19.705 -17.512 67 HH21 ARG 8 HH21 ARG 8 -18.027 -17.236 -19.302 68 HH22 ARG 8 HH22 ARG 8 -19.587 -17.936 -18.999 69 H ASP 9 HN ASP 9 -10.016 -19.848 -15.542 70 HA ASP 9 HA ASP 9 -9.732 -20.395 -18.379 71 HB2 ASP 9 HB2 ASP 9 -7.349 -19.751 -18.058 72 HB3 ASP 9 HB1 ASP 9 -8.482 -18.494 -17.589 73 H GLY 10 HN GLY 10 -8.154 -21.440 -15.404 74 HA2 GLY 10 HA2 GLY 10 -8.134 -24.200 -16.453 75 HA3 GLY 10 HA1 GLY 10 -6.741 -23.526 -15.600 76 H GLN 11 HN GLN 11 -9.863 -22.500 -14.760 77 HA GLN 11 HA GLN 11 -10.089 -24.258 -12.458 78 HB2 GLN 11 HB2 GLN 11 -10.037 -21.238 -12.417 79 HB3 GLN 11 HB1 GLN 11 -10.584 -22.224 -11.088 80 HG2 GLN 11 HG2 GLN 11 -8.412 -23.107 -10.729 81 HG3 GLN 11 HG1 GLN 11 -7.825 -22.424 -12.243 82 HE21 GLN 11 HE21 GLN 11 -9.779 -20.116 -11.116 83 HE22 GLN 11 HE22 GLN 11 -8.665 -19.178 -10.187 84 H ALA 12 HN ALA 12 -11.962 -25.144 -13.077 85 HA ALA 12 HA ALA 12 -14.065 -23.820 -14.444 86 HB1 ALA 12 HB1 ALA 12 -13.887 -26.434 -12.961 87 HB2 ALA 12 HB2 ALA 12 -13.855 -26.173 -14.707 88 HB3 ALA 12 HB3 ALA 12 -15.344 -25.901 -13.799 89 H TYR 13 HN TYR 13 -15.534 -22.414 -13.555 90 HA TYR 13 HA TYR 13 -15.932 -22.643 -10.656 91 HB2 TYR 13 HB2 TYR 13 -15.906 -20.225 -12.419 92 HB3 TYR 13 HB1 TYR 13 -16.883 -20.214 -10.962 93 HD1 TYR 13 HD1 TYR 13 -13.465 -21.489 -11.798 94 HD2 TYR 13 HD2 TYR 13 -15.870 -19.103 -9.252 95 HE1 TYR 13 HE1 TYR 13 -11.488 -20.941 -10.448 96 HE2 TYR 13 HE2 TYR 13 -13.915 -18.542 -7.892 97 HH TYR 13 HH TYR 13 -11.689 -18.652 -7.738 98 H VAL 14 HN VAL 14 -17.771 -23.247 -9.872 99 HA VAL 14 HA VAL 14 -20.082 -23.520 -11.646 100 HB VAL 14 HB VAL 14 -19.337 -25.502 -10.320 101 HG11 VAL 14 HG11 VAL 14 -19.200 -25.590 -8.074 102 HG12 VAL 14 HG12 VAL 14 -20.494 -24.415 -7.838 103 HG13 VAL 14 HG13 VAL 14 -18.875 -23.870 -8.283 104 HG21 VAL 14 HG21 VAL 14 -22.076 -24.579 -9.507 105 HG22 VAL 14 HG22 VAL 14 -21.499 -26.241 -9.621 106 HG23 VAL 14 HG23 VAL 14 -21.675 -25.269 -11.083 107 H ARG 15 HN ARG 15 -22.236 -23.177 -10.423 108 HA ARG 15 HA ARG 15 -22.198 -20.432 -9.463 109 HB2 ARG 15 HB2 ARG 15 -23.764 -21.002 -11.231 110 HB3 ARG 15 HB1 ARG 15 -24.473 -22.264 -10.236 111 HG2 ARG 15 HG2 ARG 15 -25.870 -20.257 -10.353 112 HG3 ARG 15 HG1 ARG 15 -25.358 -20.627 -8.705 113 HD2 ARG 15 HD2 ARG 15 -23.645 -18.915 -8.821 114 HD3 ARG 15 HD1 ARG 15 -24.046 -18.590 -10.508 115 HE ARG 15 HE ARG 15 -26.393 -18.221 -9.133 116 HH11 ARG 15 HH11 ARG 15 -23.168 -16.889 -8.900 117 HH12 ARG 15 HH12 ARG 15 -23.713 -15.315 -8.410 118 HH21 ARG 15 HH21 ARG 15 -27.114 -16.140 -8.515 119 HH22 ARG 15 HH22 ARG 15 -25.949 -14.895 -8.180 120 H LYS 16 HN LYS 16 -22.183 -19.954 -7.387 121 HA LYS 16 HA LYS 16 -23.544 -21.753 -5.500 122 HB2 LYS 16 HB2 LYS 16 -20.846 -21.168 -5.418 123 HB3 LYS 16 HB1 LYS 16 -21.530 -19.966 -4.329 124 HG2 LYS 16 HG2 LYS 16 -20.864 -21.969 -3.115 125 HG3 LYS 16 HG1 LYS 16 -22.612 -21.744 -3.044 126 HD2 LYS 16 HD2 LYS 16 -22.804 -23.351 -4.965 127 HD3 LYS 16 HD1 LYS 16 -21.076 -23.677 -4.776 128 HE2 LYS 16 HE2 LYS 16 -22.391 -25.364 -3.635 129 HE3 LYS 16 HE1 LYS 16 -21.479 -24.402 -2.471 130 HZ1 LYS 16 HZ1 LYS 16 -24.050 -23.275 -2.915 131 HZ2 LYS 16 HZ2 LYS 16 -23.361 -23.814 -1.468 132 HZ3 LYS 16 HZ3 LYS 16 -24.204 -24.901 -2.472 133 H ASP 17 HN ASP 17 -23.841 -20.151 -3.320 134 HA ASP 17 HA ASP 17 -25.802 -18.370 -4.276 135 HB2 ASP 17 HB2 ASP 17 -25.602 -17.442 -1.831 136 HB3 ASP 17 HB1 ASP 17 -26.450 -18.914 -2.246 137 H GLY 18 HN GLY 18 -25.195 -16.998 -5.495 138 HA2 GLY 18 HA2 GLY 18 -24.427 -15.038 -6.390 139 HA3 GLY 18 HA1 GLY 18 -24.262 -14.501 -4.734 140 H GLU 19 HN GLU 19 -22.417 -17.282 -5.287 141 HA GLU 19 HA GLU 19 -19.998 -15.628 -5.732 142 HB2 GLU 19 HB2 GLU 19 -20.211 -18.104 -4.020 143 HB3 GLU 19 HB1 GLU 19 -18.812 -17.056 -4.161 144 HG2 GLU 19 HG2 GLU 19 -21.464 -16.218 -3.041 145 HG3 GLU 19 HG1 GLU 19 -20.088 -16.764 -2.084 146 H TRP 20 HN TRP 20 -18.201 -16.598 -6.764 147 HA TRP 20 HA TRP 20 -18.846 -18.898 -8.487 148 HB2 TRP 20 HB2 TRP 20 -16.778 -16.700 -8.689 149 HB3 TRP 20 HB1 TRP 20 -16.575 -18.203 -9.550 150 HD1 TRP 20 HD1 TRP 20 -17.779 -14.858 -10.164 151 HE1 TRP 20 HE1 TRP 20 -19.306 -14.801 -12.244 152 HE3 TRP 20 HE3 TRP 20 -18.717 -19.841 -10.588 153 HZ2 TRP 20 HZ2 TRP 20 -20.720 -16.655 -13.850 154 HZ3 TRP 20 HZ3 TRP 20 -20.139 -20.634 -12.417 155 HH2 TRP 20 HH2 TRP 20 -21.132 -19.074 -14.022 156 H VAL 21 HN VAL 21 -17.684 -20.707 -8.423 157 HA VAL 21 HA VAL 21 -15.561 -20.929 -6.396 158 HB VAL 21 HB VAL 21 -17.041 -23.207 -6.103 159 HG11 VAL 21 HG11 VAL 21 -17.638 -22.354 -3.925 160 HG12 VAL 21 HG12 VAL 21 -17.362 -20.700 -4.478 161 HG13 VAL 21 HG13 VAL 21 -16.008 -21.821 -4.326 162 HG21 VAL 21 HG21 VAL 21 -18.942 -20.914 -6.377 163 HG22 VAL 21 HG22 VAL 21 -19.350 -22.534 -5.809 164 HG23 VAL 21 HG23 VAL 21 -18.817 -22.287 -7.475 165 H LEU 22 HN LEU 22 -14.019 -22.496 -6.819 166 HA LEU 22 HA LEU 22 -13.924 -23.583 -9.465 167 HB2 LEU 22 HB2 LEU 22 -12.063 -22.873 -7.633 168 HB3 LEU 22 HB1 LEU 22 -12.142 -24.592 -7.328 169 HG LEU 22 HG LEU 22 -11.265 -23.161 -9.816 170 HD11 LEU 22 HD11 LEU 22 -10.043 -24.914 -7.792 171 HD12 LEU 22 HD12 LEU 22 -9.365 -23.548 -8.677 172 HD13 LEU 22 HD13 LEU 22 -9.514 -25.122 -9.461 173 HD21 LEU 22 HD21 LEU 22 -11.262 -25.185 -11.057 174 HD22 LEU 22 HD22 LEU 22 -12.894 -24.935 -10.435 175 HD23 LEU 22 HD23 LEU 22 -11.819 -26.105 -9.663 176 H LEU 23 HN LEU 23 -14.610 -25.631 -10.078 177 HA LEU 23 HA LEU 23 -15.642 -27.288 -7.875 178 HB2 LEU 23 HB2 LEU 23 -17.530 -27.744 -9.095 179 HB3 LEU 23 HB1 LEU 23 -17.165 -26.100 -9.574 180 HG LEU 23 HG LEU 23 -15.815 -27.414 -11.466 181 HD11 LEU 23 HD11 LEU 23 -16.658 -29.413 -12.074 182 HD12 LEU 23 HD12 LEU 23 -18.266 -29.052 -11.444 183 HD13 LEU 23 HD13 LEU 23 -16.970 -29.513 -10.338 184 HD21 LEU 23 HD21 LEU 23 -18.551 -27.211 -12.307 185 HD22 LEU 23 HD22 LEU 23 -17.168 -26.201 -12.737 186 HD23 LEU 23 HD23 LEU 23 -18.110 -25.837 -11.290 187 H SER 24 HN SER 24 -13.817 -27.295 -10.819 188 HA SER 24 HA SER 24 -13.762 -29.809 -11.767 189 HB2 SER 24 HB2 SER 24 -11.310 -29.531 -12.208 190 HB3 SER 24 HB1 SER 24 -12.295 -28.153 -12.696 191 HG SER 24 HG SER 24 -10.380 -27.547 -11.533 192 H THR 25 HN THR 25 -11.816 -28.739 -9.084 193 HA THR 25 HA THR 25 -10.514 -31.064 -8.455 194 HB THR 25 HB THR 25 -10.012 -28.861 -7.558 195 HG1 THR 25 HG1 THR 25 -9.421 -30.894 -6.441 196 HG21 THR 25 HG21 THR 25 -12.453 -28.321 -7.025 197 HG22 THR 25 HG22 THR 25 -11.189 -27.723 -5.950 198 HG23 THR 25 HG23 THR 25 -12.128 -29.145 -5.499 199 H PHE 26 HN PHE 26 -13.690 -30.055 -7.526 200 HA PHE 26 HA PHE 26 -14.256 -31.897 -5.485 201 HB2 PHE 26 HB2 PHE 26 -16.178 -30.694 -7.485 202 HB3 PHE 26 HB1 PHE 26 -16.632 -31.460 -5.972 203 HD1 PHE 26 HD2 PHE 26 -13.937 -30.017 -4.775 204 HD2 PHE 26 HD1 PHE 26 -17.565 -28.799 -6.633 205 HE1 PHE 26 HE2 PHE 26 -13.793 -27.849 -3.635 206 HE2 PHE 26 HE1 PHE 26 -17.424 -26.631 -5.491 207 HZ PHE 26 HZ PHE 26 -15.538 -26.153 -3.986 208 H LEU 27 HN LEU 27 -14.239 -32.319 -8.959 209 HA LEU 27 HA LEU 27 -15.560 -34.920 -8.711 210 HB2 LEU 27 HB2 LEU 27 -16.249 -33.309 -10.503 211 HB3 LEU 27 HB1 LEU 27 -14.657 -33.502 -11.214 212 HG LEU 27 HG LEU 27 -15.133 -35.946 -11.464 213 HD11 LEU 27 HD11 LEU 27 -17.705 -35.073 -10.266 214 HD12 LEU 27 HD12 LEU 27 -16.791 -36.562 -10.035 215 HD13 LEU 27 HD13 LEU 27 -17.735 -36.327 -11.505 216 HD21 LEU 27 HD21 LEU 27 -15.358 -34.446 -13.355 217 HD22 LEU 27 HD22 LEU 27 -17.006 -34.043 -12.864 218 HD23 LEU 27 HD23 LEU 27 -16.618 -35.679 -13.396 Start of MODEL 4 1 H GLY 1 H GLY 1 -27.574 -11.580 -9.750 2 HA2 GLY 1 HA1 GLY 1 -26.726 -10.390 -11.644 3 HA3 GLY 1 HA2 GLY 1 -26.146 -9.677 -10.144 4 H TYR 2 HN TYR 2 -24.356 -8.751 -11.211 5 HA TYR 2 HA TYR 2 -22.481 -10.468 -12.571 6 HB2 TYR 2 HB2 TYR 2 -22.802 -8.207 -13.408 7 HB3 TYR 2 HB1 TYR 2 -22.351 -7.536 -11.845 8 HD1 TYR 2 HD1 TYR 2 -19.974 -7.703 -11.077 9 HD2 TYR 2 HD2 TYR 2 -21.144 -8.847 -15.005 10 HE1 TYR 2 HE1 TYR 2 -17.625 -7.625 -11.789 11 HE2 TYR 2 HE2 TYR 2 -18.795 -8.772 -15.727 12 HH TYR 2 HH TYR 2 -16.244 -7.610 -13.580 13 H ILE 3 HN ILE 3 -21.180 -11.739 -11.459 14 HA ILE 3 HA ILE 3 -20.209 -10.849 -8.831 15 HB ILE 3 HB ILE 3 -19.713 -13.621 -9.837 16 HG12 ILE 3 HG12 ILE 3 -22.386 -12.543 -8.938 17 HG13 ILE 3 HG11 ILE 3 -22.018 -13.401 -10.428 18 HG21 ILE 3 HG21 ILE 3 -19.469 -12.241 -7.384 19 HG22 ILE 3 HG22 ILE 3 -19.139 -13.941 -7.717 20 HG23 ILE 3 HG23 ILE 3 -20.744 -13.444 -7.185 21 HD11 ILE 3 HD11 ILE 3 -22.754 -15.222 -9.410 22 HD12 ILE 3 HD12 ILE 3 -22.747 -14.432 -7.829 23 HD13 ILE 3 HD13 ILE 3 -21.270 -15.179 -8.455 24 HA PRO 4 HA PRO 4 -16.408 -9.980 -10.842 25 HB2 PRO 4 HB2 PRO 4 -14.895 -9.427 -8.703 26 HB3 PRO 4 HB1 PRO 4 -16.245 -8.415 -9.219 27 HG2 PRO 4 HG2 PRO 4 -16.094 -10.368 -6.977 28 HG3 PRO 4 HG1 PRO 4 -16.939 -8.814 -7.067 29 HD2 PRO 4 HD2 PRO 4 -18.122 -11.309 -7.408 30 HD3 PRO 4 HD1 PRO 4 -18.809 -9.771 -7.934 31 H ARG 5 HN ARG 5 -15.945 -12.344 -8.180 32 HA ARG 5 HA ARG 5 -13.345 -13.001 -9.204 33 HB2 ARG 5 HB2 ARG 5 -14.253 -13.013 -6.750 34 HB3 ARG 5 HB1 ARG 5 -14.751 -14.649 -7.147 35 HG2 ARG 5 HG2 ARG 5 -12.584 -14.625 -6.040 36 HG3 ARG 5 HG1 ARG 5 -12.445 -15.231 -7.693 37 HD2 ARG 5 HD2 ARG 5 -10.628 -13.647 -7.067 38 HD3 ARG 5 HD1 ARG 5 -11.578 -13.106 -8.453 39 HE ARG 5 HE ARG 5 -12.603 -12.032 -6.013 40 HH11 ARG 5 HH11 ARG 5 -10.014 -11.697 -8.343 41 HH12 ARG 5 HH12 ARG 5 -9.751 -10.008 -8.004 42 HH21 ARG 5 HH21 ARG 5 -12.256 -9.794 -5.572 43 HH22 ARG 5 HH22 ARG 5 -11.013 -8.943 -6.441 44 H ALA 6 HN ALA 6 -15.157 -13.499 -11.246 45 HA ALA 6 HA ALA 6 -15.375 -16.433 -11.285 46 HB1 ALA 6 HB1 ALA 6 -16.568 -14.748 -13.417 47 HB2 ALA 6 HB2 ALA 6 -17.333 -14.808 -11.828 48 HB3 ALA 6 HB3 ALA 6 -17.111 -16.287 -12.754 49 HA PRO 7 HA PRO 7 -12.025 -15.897 -14.349 50 HB2 PRO 7 HB2 PRO 7 -10.420 -17.872 -13.545 51 HB3 PRO 7 HB1 PRO 7 -10.468 -16.329 -12.687 52 HG2 PRO 7 HG2 PRO 7 -11.644 -18.950 -11.952 53 HG3 PRO 7 HG1 PRO 7 -10.980 -17.683 -10.908 54 HD2 PRO 7 HD2 PRO 7 -13.701 -18.151 -11.472 55 HD3 PRO 7 HD1 PRO 7 -13.021 -16.731 -10.660 56 H ARG 8 HN ARG 8 -11.933 -16.928 -16.273 57 HA ARG 8 HA ARG 8 -13.408 -19.456 -16.562 58 HB2 ARG 8 HB2 ARG 8 -13.929 -18.665 -18.791 59 HB3 ARG 8 HB1 ARG 8 -14.419 -17.512 -17.563 60 HG2 ARG 8 HG2 ARG 8 -12.586 -16.084 -18.041 61 HG3 ARG 8 HG1 ARG 8 -11.869 -17.281 -19.123 62 HD2 ARG 8 HD2 ARG 8 -13.675 -17.019 -20.694 63 HD3 ARG 8 HD1 ARG 8 -14.539 -15.958 -19.575 64 HE ARG 8 HE ARG 8 -12.093 -14.759 -19.978 65 HH11 ARG 8 HH11 ARG 8 -14.715 -15.788 -22.038 66 HH12 ARG 8 HH12 ARG 8 -14.500 -14.498 -23.179 67 HH21 ARG 8 HH21 ARG 8 -11.829 -13.024 -21.442 68 HH22 ARG 8 HH22 ARG 8 -12.865 -12.905 -22.836 69 H ASP 9 HN ASP 9 -10.634 -18.980 -16.027 70 HA ASP 9 HA ASP 9 -9.300 -19.839 -18.459 71 HB2 ASP 9 HB2 ASP 9 -7.192 -19.466 -17.257 72 HB3 ASP 9 HB1 ASP 9 -8.245 -18.057 -17.218 73 H GLY 10 HN GLY 10 -10.741 -21.848 -18.095 74 HA2 GLY 10 HA2 GLY 10 -10.552 -24.155 -18.047 75 HA3 GLY 10 HA1 GLY 10 -8.902 -23.962 -17.469 76 H GLN 11 HN GLN 11 -11.258 -22.278 -15.692 77 HA GLN 11 HA GLN 11 -11.345 -24.381 -13.674 78 HB2 GLN 11 HB2 GLN 11 -10.639 -21.500 -13.400 79 HB3 GLN 11 HB1 GLN 11 -11.579 -22.226 -12.120 80 HG2 GLN 11 HG2 GLN 11 -9.441 -22.509 -11.363 81 HG3 GLN 11 HG1 GLN 11 -9.737 -24.050 -12.148 82 HE21 GLN 11 HE21 GLN 11 -7.956 -21.097 -12.225 83 HE22 GLN 11 HE22 GLN 11 -6.875 -21.540 -13.495 84 H ALA 12 HN ALA 12 -13.222 -25.077 -13.747 85 HA ALA 12 HA ALA 12 -15.531 -23.680 -14.667 86 HB1 ALA 12 HB1 ALA 12 -16.337 -25.742 -14.898 87 HB2 ALA 12 HB2 ALA 12 -16.075 -26.107 -13.194 88 HB3 ALA 12 HB3 ALA 12 -14.765 -26.330 -14.352 89 H TYR 13 HN TYR 13 -16.283 -22.044 -13.377 90 HA TYR 13 HA TYR 13 -16.427 -22.556 -10.506 91 HB2 TYR 13 HB2 TYR 13 -16.499 -20.033 -12.126 92 HB3 TYR 13 HB1 TYR 13 -17.207 -20.062 -10.518 93 HD1 TYR 13 HD1 TYR 13 -14.127 -21.675 -11.897 94 HD2 TYR 13 HD2 TYR 13 -15.797 -18.982 -9.080 95 HE1 TYR 13 HE1 TYR 13 -11.929 -21.408 -10.846 96 HE2 TYR 13 HE2 TYR 13 -13.620 -18.707 -8.013 97 HH TYR 13 HH TYR 13 -11.129 -18.973 -8.813 98 H VAL 14 HN VAL 14 -18.135 -23.275 -9.608 99 HA VAL 14 HA VAL 14 -20.681 -23.275 -10.979 100 HB VAL 14 HB VAL 14 -20.005 -25.307 -9.829 101 HG11 VAL 14 HG11 VAL 14 -18.613 -24.393 -8.089 102 HG12 VAL 14 HG12 VAL 14 -19.866 -25.422 -7.384 103 HG13 VAL 14 HG13 VAL 14 -20.026 -23.668 -7.317 104 HG21 VAL 14 HG21 VAL 14 -22.342 -24.040 -8.425 105 HG22 VAL 14 HG22 VAL 14 -21.993 -25.762 -8.497 106 HG23 VAL 14 HG23 VAL 14 -22.400 -24.889 -9.974 107 H ARG 15 HN ARG 15 -22.618 -22.618 -9.765 108 HA ARG 15 HA ARG 15 -22.174 -19.962 -8.704 109 HB2 ARG 15 HB2 ARG 15 -24.752 -21.408 -9.307 110 HB3 ARG 15 HB1 ARG 15 -24.624 -19.730 -8.798 111 HG2 ARG 15 HG2 ARG 15 -23.276 -19.266 -10.823 112 HG3 ARG 15 HG1 ARG 15 -23.567 -20.929 -11.347 113 HD2 ARG 15 HD2 ARG 15 -25.160 -19.474 -12.425 114 HD3 ARG 15 HD1 ARG 15 -26.003 -20.489 -11.251 115 HE ARG 15 HE ARG 15 -26.516 -18.613 -10.016 116 HH11 ARG 15 HH11 ARG 15 -24.155 -17.798 -12.474 117 HH12 ARG 15 HH12 ARG 15 -24.244 -16.085 -12.173 118 HH21 ARG 15 HH21 ARG 15 -26.657 -16.356 -9.648 119 HH22 ARG 15 HH22 ARG 15 -25.693 -15.275 -10.605 120 H LYS 16 HN LYS 16 -22.357 -19.275 -6.770 121 HA LYS 16 HA LYS 16 -23.610 -20.886 -4.662 122 HB2 LYS 16 HB2 LYS 16 -20.916 -19.536 -4.634 123 HB3 LYS 16 HB1 LYS 16 -21.824 -19.740 -3.142 124 HG2 LYS 16 HG2 LYS 16 -21.160 -22.038 -4.944 125 HG3 LYS 16 HG1 LYS 16 -20.065 -21.473 -3.682 126 HD2 LYS 16 HD2 LYS 16 -21.855 -21.831 -2.020 127 HD3 LYS 16 HD1 LYS 16 -22.887 -22.478 -3.298 128 HE2 LYS 16 HE2 LYS 16 -21.410 -24.317 -3.668 129 HE3 LYS 16 HE1 LYS 16 -20.174 -23.607 -2.629 130 HZ1 LYS 16 HZ1 LYS 16 -21.282 -25.362 -1.459 131 HZ2 LYS 16 HZ2 LYS 16 -22.810 -24.695 -1.777 132 HZ3 LYS 16 HZ3 LYS 16 -21.730 -23.886 -0.739 133 H ASP 17 HN ASP 17 -23.983 -19.260 -2.686 134 HA ASP 17 HA ASP 17 -25.472 -17.153 -3.879 135 HB2 ASP 17 HB2 ASP 17 -25.320 -16.424 -1.240 136 HB3 ASP 17 HB1 ASP 17 -26.620 -17.272 -2.036 137 H GLY 18 HN GLY 18 -24.449 -15.802 -4.840 138 HA2 GLY 18 HA2 GLY 18 -23.237 -13.929 -5.342 139 HA3 GLY 18 HA1 GLY 18 -23.055 -13.700 -3.619 140 H GLU 19 HN GLU 19 -21.897 -16.740 -4.595 141 HA GLU 19 HA GLU 19 -19.155 -15.670 -4.736 142 HB2 GLU 19 HB2 GLU 19 -20.213 -18.040 -3.210 143 HB3 GLU 19 HB1 GLU 19 -18.500 -17.804 -3.514 144 HG2 GLU 19 HG2 GLU 19 -20.153 -15.694 -2.198 145 HG3 GLU 19 HG1 GLU 19 -19.452 -17.033 -1.289 146 H TRP 20 HN TRP 20 -17.643 -16.725 -5.972 147 HA TRP 20 HA TRP 20 -18.678 -18.767 -7.836 148 HB2 TRP 20 HB2 TRP 20 -16.577 -16.626 -8.213 149 HB3 TRP 20 HB1 TRP 20 -16.595 -18.066 -9.207 150 HD1 TRP 20 HD1 TRP 20 -17.767 -14.629 -9.351 151 HE1 TRP 20 HE1 TRP 20 -19.673 -14.404 -11.081 152 HE3 TRP 20 HE3 TRP 20 -18.975 -19.558 -9.917 153 HZ2 TRP 20 HZ2 TRP 20 -21.463 -16.079 -12.467 154 HZ3 TRP 20 HZ3 TRP 20 -20.796 -20.162 -11.445 155 HH2 TRP 20 HH2 TRP 20 -22.017 -18.460 -12.697 156 H VAL 21 HN VAL 21 -17.690 -20.629 -7.973 157 HA VAL 21 HA VAL 21 -15.294 -21.106 -6.328 158 HB VAL 21 HB VAL 21 -16.921 -23.284 -5.947 159 HG11 VAL 21 HG11 VAL 21 -15.567 -22.403 -4.198 160 HG12 VAL 21 HG12 VAL 21 -17.242 -22.319 -3.648 161 HG13 VAL 21 HG13 VAL 21 -16.433 -20.868 -4.240 162 HG21 VAL 21 HG21 VAL 21 -18.815 -22.167 -6.892 163 HG22 VAL 21 HG22 VAL 21 -18.559 -20.783 -5.827 164 HG23 VAL 21 HG23 VAL 21 -19.045 -22.340 -5.153 165 H LEU 22 HN LEU 22 -13.933 -22.661 -7.097 166 HA LEU 22 HA LEU 22 -14.361 -23.699 -9.727 167 HB2 LEU 22 HB2 LEU 22 -12.166 -23.090 -8.275 168 HB3 LEU 22 HB1 LEU 22 -12.248 -24.807 -7.969 169 HG LEU 22 HG LEU 22 -11.637 -23.341 -10.485 170 HD11 LEU 22 HD11 LEU 22 -10.259 -24.995 -8.741 171 HD12 LEU 22 HD12 LEU 22 -9.709 -24.355 -10.288 172 HD13 LEU 22 HD13 LEU 22 -10.483 -25.939 -10.213 173 HD21 LEU 22 HD21 LEU 22 -13.073 -24.488 -11.714 174 HD22 LEU 22 HD22 LEU 22 -13.509 -25.539 -10.365 175 HD23 LEU 22 HD23 LEU 22 -12.099 -25.914 -11.359 176 H LEU 23 HN LEU 23 -15.158 -25.741 -10.253 177 HA LEU 23 HA LEU 23 -15.909 -27.366 -7.915 178 HB2 LEU 23 HB2 LEU 23 -17.912 -27.844 -8.918 179 HB3 LEU 23 HB1 LEU 23 -17.600 -26.236 -9.541 180 HG LEU 23 HG LEU 23 -16.401 -27.785 -11.417 181 HD11 LEU 23 HD11 LEU 23 -17.410 -29.745 -11.762 182 HD12 LEU 23 HD12 LEU 23 -18.974 -29.162 -11.193 183 HD13 LEU 23 HD13 LEU 23 -17.736 -29.636 -10.029 184 HD21 LEU 23 HD21 LEU 23 -19.216 -26.730 -11.328 185 HD22 LEU 23 HD22 LEU 23 -18.399 -27.277 -12.786 186 HD23 LEU 23 HD23 LEU 23 -17.781 -25.880 -11.901 187 H SER 24 HN SER 24 -14.471 -27.452 -11.099 188 HA SER 24 HA SER 24 -14.426 -30.098 -11.789 189 HB2 SER 24 HB2 SER 24 -12.112 -29.633 -12.740 190 HB3 SER 24 HB1 SER 24 -13.390 -28.530 -13.241 191 HG SER 24 HG SER 24 -11.132 -27.823 -12.256 192 H THR 25 HN THR 25 -12.334 -28.440 -9.601 193 HA THR 25 HA THR 25 -10.474 -30.334 -8.995 194 HB THR 25 HB THR 25 -10.401 -28.027 -8.258 195 HG1 THR 25 HG1 THR 25 -9.003 -29.074 -7.028 196 HG21 THR 25 HG21 THR 25 -12.927 -28.347 -7.268 197 HG22 THR 25 HG22 THR 25 -11.852 -26.973 -6.973 198 HG23 THR 25 HG23 THR 25 -11.917 -28.308 -5.820 199 H PHE 26 HN PHE 26 -13.686 -30.023 -7.744 200 HA PHE 26 HA PHE 26 -13.527 -31.807 -5.579 201 HB2 PHE 26 HB2 PHE 26 -15.978 -31.229 -7.252 202 HB3 PHE 26 HB1 PHE 26 -15.965 -31.926 -5.640 203 HD1 PHE 26 HD1 PHE 26 -14.001 -30.165 -4.297 204 HD2 PHE 26 HD2 PHE 26 -17.152 -29.255 -7.005 205 HE1 PHE 26 HE1 PHE 26 -14.202 -27.930 -3.296 206 HE2 PHE 26 HE2 PHE 26 -17.352 -27.014 -6.017 207 HZ PHE 26 HZ PHE 26 -15.883 -26.345 -4.167 208 H LEU 27 HN LEU 27 -13.434 -32.490 -8.910 209 HA LEU 27 HA LEU 27 -14.419 -35.220 -8.487 210 HB2 LEU 27 HB2 LEU 27 -13.833 -33.624 -10.969 211 HB3 LEU 27 HB1 LEU 27 -14.120 -35.350 -11.019 212 HG LEU 27 HG LEU 27 -16.169 -34.340 -11.598 213 HD11 LEU 27 HD11 LEU 27 -15.956 -35.960 -9.388 214 HD12 LEU 27 HD12 LEU 27 -17.429 -35.602 -10.287 215 HD13 LEU 27 HD13 LEU 27 -17.025 -34.668 -8.850 216 HD21 LEU 27 HD21 LEU 27 -16.284 -32.671 -9.118 217 HD22 LEU 27 HD22 LEU 27 -17.136 -32.470 -10.653 218 HD23 LEU 27 HD23 LEU 27 -15.416 -32.088 -10.542 Start of MODEL 5 1 H GLY 1 H GLY 1 -28.901 -9.373 -6.472 2 HA2 GLY 1 HA1 GLY 1 -26.342 -9.972 -5.321 3 HA3 GLY 1 HA2 GLY 1 -27.289 -10.876 -6.498 4 H TYR 2 HN TYR 2 -24.424 -10.376 -6.465 5 HA TYR 2 HA TYR 2 -24.202 -9.175 -9.137 6 HB2 TYR 2 HB2 TYR 2 -23.439 -7.387 -7.748 7 HB3 TYR 2 HB1 TYR 2 -22.516 -8.489 -6.732 8 HD1 TYR 2 HD1 TYR 2 -22.696 -7.594 -10.366 9 HD2 TYR 2 HD2 TYR 2 -20.244 -8.410 -6.987 10 HE1 TYR 2 HE1 TYR 2 -20.692 -7.186 -11.728 11 HE2 TYR 2 HE2 TYR 2 -18.231 -8.002 -8.337 12 HH TYR 2 HH TYR 2 -17.968 -6.412 -10.818 13 H ILE 3 HN ILE 3 -22.968 -10.324 -10.495 14 HA ILE 3 HA ILE 3 -21.514 -12.616 -9.356 15 HB ILE 3 HB ILE 3 -22.435 -12.250 -12.221 16 HG12 ILE 3 HG12 ILE 3 -24.335 -12.455 -10.659 17 HG13 ILE 3 HG11 ILE 3 -24.193 -13.859 -11.712 18 HG21 ILE 3 HG21 ILE 3 -22.078 -14.807 -12.146 19 HG22 ILE 3 HG22 ILE 3 -21.056 -14.461 -10.750 20 HG23 ILE 3 HG23 ILE 3 -20.675 -13.753 -12.322 21 HD11 ILE 3 HD11 ILE 3 -24.101 -13.685 -8.821 22 HD12 ILE 3 HD12 ILE 3 -22.725 -14.571 -9.482 23 HD13 ILE 3 HD13 ILE 3 -24.365 -15.080 -9.867 24 HA PRO 4 HA PRO 4 -17.941 -10.061 -10.453 25 HB2 PRO 4 HB2 PRO 4 -16.091 -11.771 -9.396 26 HB3 PRO 4 HB1 PRO 4 -16.995 -10.591 -8.440 27 HG2 PRO 4 HG2 PRO 4 -17.505 -13.525 -8.805 28 HG3 PRO 4 HG1 PRO 4 -17.586 -12.550 -7.324 29 HD2 PRO 4 HD2 PRO 4 -19.810 -13.248 -8.671 30 HD3 PRO 4 HD1 PRO 4 -19.666 -11.684 -7.854 31 H ARG 5 HN ARG 5 -15.764 -10.606 -11.498 32 HA ARG 5 HA ARG 5 -16.286 -12.018 -13.920 33 HB2 ARG 5 HB2 ARG 5 -14.752 -10.004 -13.678 34 HB3 ARG 5 HB1 ARG 5 -13.582 -11.086 -12.929 35 HG2 ARG 5 HG2 ARG 5 -12.974 -10.865 -15.205 36 HG3 ARG 5 HG1 ARG 5 -13.678 -12.475 -15.017 37 HD2 ARG 5 HD2 ARG 5 -15.858 -11.501 -15.801 38 HD3 ARG 5 HD1 ARG 5 -14.982 -10.021 -16.193 39 HE ARG 5 HE ARG 5 -15.112 -12.381 -17.760 40 HH11 ARG 5 HH11 ARG 5 -12.876 -9.848 -16.825 41 HH12 ARG 5 HH12 ARG 5 -11.901 -10.005 -18.248 42 HH21 ARG 5 HH21 ARG 5 -13.800 -12.604 -19.634 43 HH22 ARG 5 HH22 ARG 5 -12.407 -11.580 -19.827 44 H ALA 6 HN ALA 6 -16.130 -14.124 -14.227 45 HA ALA 6 HA ALA 6 -15.156 -15.882 -12.222 46 HB1 ALA 6 HB1 ALA 6 -15.448 -17.144 -14.801 47 HB2 ALA 6 HB2 ALA 6 -16.822 -16.102 -14.427 48 HB3 ALA 6 HB3 ALA 6 -16.364 -17.387 -13.311 49 HA PRO 7 HA PRO 7 -10.954 -15.893 -13.772 50 HB2 PRO 7 HB2 PRO 7 -9.823 -16.899 -11.547 51 HB3 PRO 7 HB1 PRO 7 -10.367 -15.221 -11.635 52 HG2 PRO 7 HG2 PRO 7 -11.597 -17.547 -10.263 53 HG3 PRO 7 HG1 PRO 7 -11.634 -15.833 -9.819 54 HD2 PRO 7 HD2 PRO 7 -13.671 -17.281 -11.125 55 HD3 PRO 7 HD1 PRO 7 -13.586 -15.520 -10.932 56 H ARG 8 HN ARG 8 -12.526 -17.780 -14.840 57 HA ARG 8 HA ARG 8 -11.615 -20.400 -14.062 58 HB2 ARG 8 HB2 ARG 8 -13.182 -21.141 -15.839 59 HB3 ARG 8 HB1 ARG 8 -13.871 -20.241 -14.511 60 HG2 ARG 8 HG2 ARG 8 -14.037 -18.255 -15.875 61 HG3 ARG 8 HG1 ARG 8 -13.256 -19.099 -17.216 62 HD2 ARG 8 HD2 ARG 8 -15.895 -19.834 -15.950 63 HD3 ARG 8 HD1 ARG 8 -15.689 -19.012 -17.499 64 HE ARG 8 HE ARG 8 -15.419 -21.829 -16.976 65 HH11 ARG 8 HH11 ARG 8 -14.547 -19.208 -19.114 66 HH12 ARG 8 HH12 ARG 8 -14.028 -20.251 -20.403 67 HH21 ARG 8 HH21 ARG 8 -14.825 -23.209 -18.667 68 HH22 ARG 8 HH22 ARG 8 -14.212 -22.548 -20.156 69 H ASP 9 HN ASP 9 -9.498 -19.666 -14.616 70 HA ASP 9 HA ASP 9 -8.790 -19.884 -17.430 71 HB2 ASP 9 HB2 ASP 9 -6.532 -19.172 -16.723 72 HB3 ASP 9 HB1 ASP 9 -7.770 -18.049 -16.177 73 H GLY 10 HN GLY 10 -9.622 -22.124 -17.247 74 HA2 GLY 10 HA2 GLY 10 -8.974 -24.352 -17.555 75 HA3 GLY 10 HA1 GLY 10 -7.401 -23.964 -16.856 76 H GLN 11 HN GLN 11 -10.205 -22.933 -15.217 77 HA GLN 11 HA GLN 11 -10.289 -25.157 -13.389 78 HB2 GLN 11 HB2 GLN 11 -9.833 -22.267 -12.597 79 HB3 GLN 11 HB1 GLN 11 -10.163 -23.575 -11.502 80 HG2 GLN 11 HG2 GLN 11 -8.079 -24.624 -11.986 81 HG3 GLN 11 HG1 GLN 11 -7.768 -23.495 -13.300 82 HE21 GLN 11 HE21 GLN 11 -6.464 -21.887 -12.838 83 HE22 GLN 11 HE22 GLN 11 -6.152 -21.240 -11.266 84 H ALA 12 HN ALA 12 -12.351 -25.651 -13.425 85 HA ALA 12 HA ALA 12 -14.360 -23.910 -14.407 86 HB1 ALA 12 HB1 ALA 12 -14.112 -26.682 -13.998 87 HB2 ALA 12 HB2 ALA 12 -15.418 -25.813 -14.805 88 HB3 ALA 12 HB3 ALA 12 -15.522 -26.158 -13.078 89 H TYR 13 HN TYR 13 -15.794 -22.668 -13.399 90 HA TYR 13 HA TYR 13 -15.868 -22.815 -10.465 91 HB2 TYR 13 HB2 TYR 13 -15.794 -20.423 -12.271 92 HB3 TYR 13 HB1 TYR 13 -16.643 -20.318 -10.744 93 HD1 TYR 13 HD1 TYR 13 -15.451 -20.441 -8.648 94 HD2 TYR 13 HD2 TYR 13 -13.364 -20.600 -12.326 95 HE1 TYR 13 HE1 TYR 13 -13.391 -19.931 -7.461 96 HE2 TYR 13 HE2 TYR 13 -11.277 -20.091 -11.155 97 HH TYR 13 HH TYR 13 -11.123 -19.852 -7.649 98 H VAL 14 HN VAL 14 -17.743 -23.328 -9.602 99 HA VAL 14 HA VAL 14 -20.107 -23.448 -11.277 100 HB VAL 14 HB VAL 14 -19.783 -25.346 -9.902 101 HG11 VAL 14 HG11 VAL 14 -18.347 -24.746 -8.197 102 HG12 VAL 14 HG12 VAL 14 -19.859 -25.042 -7.340 103 HG13 VAL 14 HG13 VAL 14 -19.352 -23.391 -7.697 104 HG21 VAL 14 HG21 VAL 14 -22.081 -24.961 -10.037 105 HG22 VAL 14 HG22 VAL 14 -22.011 -23.635 -8.873 106 HG23 VAL 14 HG23 VAL 14 -21.772 -25.297 -8.332 107 H ARG 15 HN ARG 15 -22.107 -22.508 -10.604 108 HA ARG 15 HA ARG 15 -21.663 -19.812 -9.635 109 HB2 ARG 15 HB2 ARG 15 -24.112 -21.071 -10.864 110 HB3 ARG 15 HB1 ARG 15 -23.999 -19.392 -10.366 111 HG2 ARG 15 HG2 ARG 15 -22.067 -19.152 -11.961 112 HG3 ARG 15 HG1 ARG 15 -22.485 -20.754 -12.582 113 HD2 ARG 15 HD2 ARG 15 -24.229 -18.294 -12.543 114 HD3 ARG 15 HD1 ARG 15 -23.519 -19.072 -13.959 115 HE ARG 15 HE ARG 15 -25.034 -21.024 -12.753 116 HH11 ARG 15 HH11 ARG 15 -25.636 -17.808 -14.023 117 HH12 ARG 15 HH12 ARG 15 -27.273 -18.168 -14.492 118 HH21 ARG 15 HH21 ARG 15 -27.116 -21.522 -13.405 119 HH22 ARG 15 HH22 ARG 15 -28.116 -20.320 -14.164 120 H LYS 16 HN LYS 16 -22.020 -19.157 -7.698 121 HA LYS 16 HA LYS 16 -24.113 -20.434 -6.086 122 HB2 LYS 16 HB2 LYS 16 -21.364 -19.551 -5.203 123 HB3 LYS 16 HB1 LYS 16 -22.692 -19.761 -4.068 124 HG2 LYS 16 HG2 LYS 16 -22.890 -22.116 -4.812 125 HG3 LYS 16 HG1 LYS 16 -21.467 -21.875 -5.825 126 HD2 LYS 16 HD2 LYS 16 -20.121 -21.367 -3.875 127 HD3 LYS 16 HD1 LYS 16 -21.539 -21.500 -2.830 128 HE2 LYS 16 HE2 LYS 16 -20.375 -23.731 -4.499 129 HE3 LYS 16 HE1 LYS 16 -20.130 -23.516 -2.769 130 HZ1 LYS 16 HZ1 LYS 16 -22.838 -23.802 -3.950 131 HZ2 LYS 16 HZ2 LYS 16 -22.372 -23.961 -2.323 132 HZ3 LYS 16 HZ3 LYS 16 -21.913 -25.143 -3.455 133 H ASP 17 HN ASP 17 -24.319 -18.649 -4.038 134 HA ASP 17 HA ASP 17 -25.503 -16.466 -5.402 135 HB2 ASP 17 HB2 ASP 17 -25.201 -15.664 -2.762 136 HB3 ASP 17 HB1 ASP 17 -26.634 -16.283 -3.553 137 H GLY 18 HN GLY 18 -24.285 -15.312 -6.439 138 HA2 GLY 18 HA2 GLY 18 -22.771 -13.709 -7.074 139 HA3 GLY 18 HA1 GLY 18 -22.834 -13.193 -5.401 140 H GLU 19 HN GLU 19 -21.822 -16.420 -5.860 141 HA GLU 19 HA GLU 19 -19.014 -15.598 -5.492 142 HB2 GLU 19 HB2 GLU 19 -20.526 -17.878 -4.213 143 HB3 GLU 19 HB1 GLU 19 -18.784 -17.680 -4.100 144 HG2 GLU 19 HG2 GLU 19 -20.789 -15.660 -3.145 145 HG3 GLU 19 HG1 GLU 19 -20.035 -16.887 -2.129 146 H TRP 20 HN TRP 20 -17.405 -16.751 -6.433 147 HA TRP 20 HA TRP 20 -18.217 -18.835 -8.369 148 HB2 TRP 20 HB2 TRP 20 -15.915 -16.867 -8.446 149 HB3 TRP 20 HB1 TRP 20 -15.872 -18.354 -9.363 150 HD1 TRP 20 HD1 TRP 20 -16.647 -14.893 -9.892 151 HE1 TRP 20 HE1 TRP 20 -18.192 -14.579 -11.940 152 HE3 TRP 20 HE3 TRP 20 -18.274 -19.684 -10.366 153 HZ2 TRP 20 HZ2 TRP 20 -19.905 -16.194 -13.531 154 HZ3 TRP 20 HZ3 TRP 20 -19.849 -20.244 -12.148 155 HH2 TRP 20 HH2 TRP 20 -20.666 -18.536 -13.705 156 H VAL 21 HN VAL 21 -17.368 -20.766 -8.218 157 HA VAL 21 HA VAL 21 -15.323 -21.249 -6.154 158 HB VAL 21 HB VAL 21 -17.162 -23.323 -5.994 159 HG11 VAL 21 HG11 VAL 21 -17.552 -22.431 -3.733 160 HG12 VAL 21 HG12 VAL 21 -16.785 -20.918 -4.221 161 HG13 VAL 21 HG13 VAL 21 -15.838 -22.404 -4.153 162 HG21 VAL 21 HG21 VAL 21 -18.591 -21.639 -7.253 163 HG22 VAL 21 HG22 VAL 21 -18.639 -20.752 -5.728 164 HG23 VAL 21 HG23 VAL 21 -19.279 -22.395 -5.816 165 H LEU 22 HN LEU 22 -13.902 -22.810 -6.625 166 HA LEU 22 HA LEU 22 -13.741 -23.889 -9.224 167 HB2 LEU 22 HB2 LEU 22 -12.078 -23.425 -7.111 168 HB3 LEU 22 HB1 LEU 22 -12.255 -25.158 -7.045 169 HG LEU 22 HG LEU 22 -10.268 -24.391 -8.326 170 HD11 LEU 22 HD11 LEU 22 -10.810 -26.537 -8.949 171 HD12 LEU 22 HD12 LEU 22 -10.953 -25.690 -10.490 172 HD13 LEU 22 HD13 LEU 22 -12.398 -26.068 -9.557 173 HD21 LEU 22 HD21 LEU 22 -12.167 -22.639 -9.419 174 HD22 LEU 22 HD22 LEU 22 -11.626 -23.688 -10.728 175 HD23 LEU 22 HD23 LEU 22 -10.449 -22.757 -9.801 176 H LEU 23 HN LEU 23 -14.701 -25.764 -9.996 177 HA LEU 23 HA LEU 23 -15.861 -27.464 -7.886 178 HB2 LEU 23 HB2 LEU 23 -17.833 -27.646 -9.030 179 HB3 LEU 23 HB1 LEU 23 -17.338 -26.016 -9.450 180 HG LEU 23 HG LEU 23 -16.189 -27.362 -11.448 181 HD11 LEU 23 HD11 LEU 23 -17.518 -29.116 -12.262 182 HD12 LEU 23 HD12 LEU 23 -18.768 -28.831 -11.050 183 HD13 LEU 23 HD13 LEU 23 -17.198 -29.481 -10.568 184 HD21 LEU 23 HD21 LEU 23 -18.941 -26.209 -11.216 185 HD22 LEU 23 HD22 LEU 23 -18.282 -26.761 -12.758 186 HD23 LEU 23 HD23 LEU 23 -17.488 -25.460 -11.865 187 H SER 24 HN SER 24 -14.209 -27.398 -10.950 188 HA SER 24 HA SER 24 -14.362 -29.978 -11.874 189 HB2 SER 24 HB2 SER 24 -11.905 -29.628 -12.556 190 HB3 SER 24 HB1 SER 24 -13.097 -28.476 -13.151 191 HG SER 24 HG SER 24 -10.932 -27.899 -11.876 192 H THR 25 HN THR 25 -12.337 -28.673 -9.419 193 HA THR 25 HA THR 25 -10.748 -30.815 -8.760 194 HB THR 25 HB THR 25 -10.339 -28.615 -7.908 195 HG1 THR 25 HG1 THR 25 -9.716 -29.129 -5.910 196 HG21 THR 25 HG21 THR 25 -11.899 -27.264 -7.196 197 HG22 THR 25 HG22 THR 25 -12.095 -28.277 -5.766 198 HG23 THR 25 HG23 THR 25 -13.073 -28.581 -7.201 199 H PHE 26 HN PHE 26 -13.923 -29.964 -7.576 200 HA PHE 26 HA PHE 26 -14.279 -31.923 -5.604 201 HB2 PHE 26 HB2 PHE 26 -16.394 -30.749 -7.410 202 HB3 PHE 26 HB1 PHE 26 -16.679 -31.547 -5.876 203 HD1 PHE 26 HD2 PHE 26 -14.014 -30.021 -4.820 204 HD2 PHE 26 HD1 PHE 26 -17.755 -28.901 -6.500 205 HE1 PHE 26 HE2 PHE 26 -13.891 -27.873 -3.634 206 HE2 PHE 26 HE1 PHE 26 -17.651 -26.748 -5.317 207 HZ PHE 26 HZ PHE 26 -15.716 -26.226 -3.875 208 H LEU 27 HN LEU 27 -15.021 -32.002 -9.042 209 HA LEU 27 HA LEU 27 -16.106 -34.672 -8.914 210 HB2 LEU 27 HB2 LEU 27 -15.700 -32.627 -11.049 211 HB3 LEU 27 HB1 LEU 27 -16.039 -34.284 -11.500 212 HG LEU 27 HG LEU 27 -18.172 -34.176 -10.261 213 HD11 LEU 27 HD11 LEU 27 -17.330 -31.338 -9.736 214 HD12 LEU 27 HD12 LEU 27 -17.755 -32.579 -8.557 215 HD13 LEU 27 HD13 LEU 27 -18.997 -31.896 -9.605 216 HD21 LEU 27 HD21 LEU 27 -19.273 -32.518 -11.785 217 HD22 LEU 27 HD22 LEU 27 -18.269 -33.730 -12.584 218 HD23 LEU 27 HD23 LEU 27 -17.664 -32.090 -12.359 Start of MODEL 6 1 H GLY 1 H GLY 1 -26.778 -12.377 -6.785 2 HA2 GLY 1 HA1 GLY 1 -27.632 -10.110 -6.377 3 HA3 GLY 1 HA2 GLY 1 -26.446 -9.965 -5.091 4 H TYR 2 HN TYR 2 -24.316 -9.640 -5.576 5 HA TYR 2 HA TYR 2 -23.805 -8.763 -8.309 6 HB2 TYR 2 HB2 TYR 2 -23.184 -7.162 -6.624 7 HB3 TYR 2 HB1 TYR 2 -22.258 -8.366 -5.738 8 HD1 TYR 2 HD1 TYR 2 -22.361 -7.015 -9.242 9 HD2 TYR 2 HD2 TYR 2 -19.973 -8.150 -5.904 10 HE1 TYR 2 HE1 TYR 2 -20.340 -6.361 -10.472 11 HE2 TYR 2 HE2 TYR 2 -17.944 -7.502 -7.131 12 HH TYR 2 HH TYR 2 -17.887 -6.962 -10.429 13 H ILE 3 HN ILE 3 -22.858 -10.080 -9.705 14 HA ILE 3 HA ILE 3 -21.361 -12.386 -8.724 15 HB ILE 3 HB ILE 3 -22.234 -11.685 -11.538 16 HG12 ILE 3 HG12 ILE 3 -24.076 -12.219 -9.932 17 HG13 ILE 3 HG11 ILE 3 -23.958 -13.338 -11.284 18 HG21 ILE 3 HG21 ILE 3 -20.914 -14.146 -10.422 19 HG22 ILE 3 HG22 ILE 3 -20.290 -13.051 -11.661 20 HG23 ILE 3 HG23 ILE 3 -21.687 -14.076 -12.007 21 HD11 ILE 3 HD11 ILE 3 -23.835 -13.851 -8.467 22 HD12 ILE 3 HD12 ILE 3 -22.376 -14.441 -9.266 23 HD13 ILE 3 HD13 ILE 3 -23.963 -14.984 -9.812 24 HA PRO 4 HA PRO 4 -17.700 -9.820 -9.438 25 HB2 PRO 4 HB2 PRO 4 -15.921 -11.702 -8.519 26 HB3 PRO 4 HB1 PRO 4 -16.780 -10.561 -7.479 27 HG2 PRO 4 HG2 PRO 4 -17.386 -13.435 -8.059 28 HG3 PRO 4 HG1 PRO 4 -17.513 -12.551 -6.527 29 HD2 PRO 4 HD2 PRO 4 -19.671 -13.132 -8.046 30 HD3 PRO 4 HD1 PRO 4 -19.576 -11.647 -7.079 31 H ARG 5 HN ARG 5 -15.376 -10.556 -10.338 32 HA ARG 5 HA ARG 5 -15.941 -11.681 -12.944 33 HB2 ARG 5 HB2 ARG 5 -14.528 -9.677 -12.764 34 HB3 ARG 5 HB1 ARG 5 -13.363 -10.578 -11.803 35 HG2 ARG 5 HG2 ARG 5 -12.778 -11.958 -13.653 36 HG3 ARG 5 HG1 ARG 5 -14.112 -11.315 -14.620 37 HD2 ARG 5 HD2 ARG 5 -13.078 -9.157 -14.724 38 HD3 ARG 5 HD1 ARG 5 -11.826 -9.647 -13.580 39 HE ARG 5 HE ARG 5 -11.533 -11.424 -15.599 40 HH11 ARG 5 HH11 ARG 5 -11.777 -7.945 -15.572 41 HH12 ARG 5 HH12 ARG 5 -10.644 -7.719 -16.872 42 HH21 ARG 5 HH21 ARG 5 -9.995 -11.165 -17.259 43 HH22 ARG 5 HH22 ARG 5 -9.627 -9.571 -17.843 44 H ALA 6 HN ALA 6 -15.401 -13.650 -13.649 45 HA ALA 6 HA ALA 6 -14.210 -15.469 -11.694 46 HB1 ALA 6 HB1 ALA 6 -16.433 -15.910 -12.909 47 HB2 ALA 6 HB2 ALA 6 -15.258 -17.221 -12.799 48 HB3 ALA 6 HB3 ALA 6 -15.421 -16.311 -14.301 49 HA PRO 7 HA PRO 7 -10.583 -15.572 -14.319 50 HB2 PRO 7 HB2 PRO 7 -9.026 -16.795 -12.404 51 HB3 PRO 7 HB1 PRO 7 -9.291 -15.053 -12.490 52 HG2 PRO 7 HG2 PRO 7 -10.223 -16.928 -10.505 53 HG3 PRO 7 HG1 PRO 7 -10.361 -15.166 -10.509 54 HD2 PRO 7 HD2 PRO 7 -12.354 -17.186 -11.189 55 HD3 PRO 7 HD1 PRO 7 -12.578 -15.457 -10.853 56 H ARG 8 HN ARG 8 -12.566 -17.380 -14.808 57 HA ARG 8 HA ARG 8 -11.605 -20.039 -14.376 58 HB2 ARG 8 HB2 ARG 8 -13.660 -20.695 -15.579 59 HB3 ARG 8 HB1 ARG 8 -13.862 -19.758 -14.116 60 HG2 ARG 8 HG2 ARG 8 -14.342 -17.766 -15.405 61 HG3 ARG 8 HG1 ARG 8 -14.054 -18.655 -16.906 62 HD2 ARG 8 HD2 ARG 8 -15.893 -20.197 -16.293 63 HD3 ARG 8 HD1 ARG 8 -16.209 -19.203 -14.871 64 HE ARG 8 HE ARG 8 -16.305 -17.534 -17.119 65 HH11 ARG 8 HH11 ARG 8 -18.072 -20.205 -15.695 66 HH12 ARG 8 HH12 ARG 8 -19.585 -19.771 -16.425 67 HH21 ARG 8 HH21 ARG 8 -18.325 -16.910 -18.038 68 HH22 ARG 8 HH22 ARG 8 -19.740 -17.874 -17.733 69 H ASP 9 HN ASP 9 -9.718 -19.500 -15.529 70 HA ASP 9 HA ASP 9 -9.875 -19.660 -18.408 71 HB2 ASP 9 HB2 ASP 9 -7.306 -19.557 -18.180 72 HB3 ASP 9 HB1 ASP 9 -8.250 -18.145 -17.744 73 H GLY 10 HN GLY 10 -7.686 -21.378 -16.208 74 HA2 GLY 10 HA2 GLY 10 -8.346 -23.859 -17.657 75 HA3 GLY 10 HA1 GLY 10 -6.857 -23.582 -16.758 76 H GLN 11 HN GLN 11 -9.730 -22.408 -15.423 77 HA GLN 11 HA GLN 11 -10.101 -24.651 -13.627 78 HB2 GLN 11 HB2 GLN 11 -9.778 -21.727 -12.916 79 HB3 GLN 11 HB1 GLN 11 -10.405 -22.932 -11.814 80 HG2 GLN 11 HG2 GLN 11 -8.289 -24.130 -11.889 81 HG3 GLN 11 HG1 GLN 11 -7.664 -22.953 -13.042 82 HE21 GLN 11 HE21 GLN 11 -7.538 -23.833 -9.934 83 HE22 GLN 11 HE22 GLN 11 -7.189 -22.314 -9.189 84 H ALA 12 HN ALA 12 -12.043 -25.237 -14.219 85 HA ALA 12 HA ALA 12 -14.022 -23.573 -15.376 86 HB1 ALA 12 HB1 ALA 12 -15.141 -25.496 -15.762 87 HB2 ALA 12 HB2 ALA 12 -14.844 -26.117 -14.139 88 HB3 ALA 12 HB3 ALA 12 -13.580 -26.209 -15.362 89 H TYR 13 HN TYR 13 -14.820 -21.946 -14.143 90 HA TYR 13 HA TYR 13 -15.728 -22.620 -11.436 91 HB2 TYR 13 HB2 TYR 13 -14.895 -20.016 -12.688 92 HB3 TYR 13 HB1 TYR 13 -15.962 -20.020 -11.299 93 HD1 TYR 13 HD1 TYR 13 -12.926 -22.064 -12.132 94 HD2 TYR 13 HD2 TYR 13 -14.826 -19.378 -9.450 95 HE1 TYR 13 HE1 TYR 13 -10.991 -22.183 -10.632 96 HE2 TYR 13 HE2 TYR 13 -12.906 -19.487 -7.943 97 HH TYR 13 HH TYR 13 -10.681 -21.769 -7.952 98 H VAL 14 HN VAL 14 -17.743 -22.569 -10.859 99 HA VAL 14 HA VAL 14 -19.798 -21.632 -12.757 100 HB VAL 14 HB VAL 14 -20.206 -23.896 -12.708 101 HG11 VAL 14 HG11 VAL 14 -20.144 -25.143 -10.385 102 HG12 VAL 14 HG12 VAL 14 -19.072 -23.806 -9.955 103 HG13 VAL 14 HG13 VAL 14 -18.665 -24.867 -11.307 104 HG21 VAL 14 HG21 VAL 14 -21.782 -23.764 -10.278 105 HG22 VAL 14 HG22 VAL 14 -22.296 -24.015 -11.948 106 HG23 VAL 14 HG23 VAL 14 -22.031 -22.379 -11.339 107 H ARG 15 HN ARG 15 -21.671 -20.618 -11.764 108 HA ARG 15 HA ARG 15 -20.871 -19.198 -9.362 109 HB2 ARG 15 HB2 ARG 15 -22.964 -17.858 -9.688 110 HB3 ARG 15 HB1 ARG 15 -21.802 -17.762 -11.002 111 HG2 ARG 15 HG2 ARG 15 -23.150 -19.391 -12.269 112 HG3 ARG 15 HG1 ARG 15 -24.333 -19.382 -10.953 113 HD2 ARG 15 HD2 ARG 15 -24.637 -16.954 -11.275 114 HD3 ARG 15 HD1 ARG 15 -23.510 -17.013 -12.629 115 HE ARG 15 HE ARG 15 -26.268 -17.663 -12.685 116 HH11 ARG 15 HH11 ARG 15 -23.182 -18.609 -14.017 117 HH12 ARG 15 HH12 ARG 15 -23.860 -19.347 -15.432 118 HH21 ARG 15 HH21 ARG 15 -27.184 -18.630 -14.544 119 HH22 ARG 15 HH22 ARG 15 -26.143 -19.359 -15.732 120 H LYS 16 HN LYS 16 -21.267 -19.865 -7.471 121 HA LYS 16 HA LYS 16 -23.540 -21.654 -6.977 122 HB2 LYS 16 HB2 LYS 16 -21.230 -22.451 -6.372 123 HB3 LYS 16 HB1 LYS 16 -21.127 -21.123 -5.221 124 HG2 LYS 16 HG2 LYS 16 -22.933 -22.037 -3.923 125 HG3 LYS 16 HG1 LYS 16 -23.217 -23.293 -5.126 126 HD2 LYS 16 HD2 LYS 16 -20.679 -22.971 -3.538 127 HD3 LYS 16 HD1 LYS 16 -21.973 -24.107 -3.155 128 HE2 LYS 16 HE2 LYS 16 -20.335 -24.072 -5.694 129 HE3 LYS 16 HE1 LYS 16 -20.134 -25.199 -4.356 130 HZ1 LYS 16 HZ1 LYS 16 -21.932 -25.333 -6.540 131 HZ2 LYS 16 HZ2 LYS 16 -22.812 -25.302 -5.092 132 HZ3 LYS 16 HZ3 LYS 16 -21.619 -26.497 -5.344 133 H ASP 17 HN ASP 17 -25.072 -20.034 -6.927 134 HA ASP 17 HA ASP 17 -26.500 -18.604 -5.866 135 HB2 ASP 17 HB2 ASP 17 -24.855 -19.546 -3.682 136 HB3 ASP 17 HB1 ASP 17 -25.436 -17.904 -3.440 137 H GLY 18 HN GLY 18 -23.497 -17.978 -6.643 138 HA2 GLY 18 HA2 GLY 18 -23.461 -15.611 -7.646 139 HA3 GLY 18 HA1 GLY 18 -23.589 -15.188 -5.956 140 H GLU 19 HN GLU 19 -21.804 -17.817 -5.649 141 HA GLU 19 HA GLU 19 -19.321 -16.242 -5.746 142 HB2 GLU 19 HB2 GLU 19 -19.601 -18.991 -4.570 143 HB3 GLU 19 HB1 GLU 19 -18.435 -17.742 -4.163 144 HG2 GLU 19 HG2 GLU 19 -20.129 -16.454 -3.057 145 HG3 GLU 19 HG1 GLU 19 -21.373 -17.574 -3.603 146 H TRP 20 HN TRP 20 -17.552 -16.834 -6.946 147 HA TRP 20 HA TRP 20 -18.012 -18.954 -8.910 148 HB2 TRP 20 HB2 TRP 20 -15.842 -16.844 -8.732 149 HB3 TRP 20 HB1 TRP 20 -15.798 -18.162 -9.884 150 HD1 TRP 20 HD1 TRP 20 -16.886 -14.675 -9.646 151 HE1 TRP 20 HE1 TRP 20 -18.429 -14.078 -11.623 152 HE3 TRP 20 HE3 TRP 20 -17.954 -19.378 -11.258 153 HZ2 TRP 20 HZ2 TRP 20 -19.924 -15.448 -13.602 154 HZ3 TRP 20 HZ3 TRP 20 -19.445 -19.674 -13.176 155 HH2 TRP 20 HH2 TRP 20 -20.419 -17.744 -14.338 156 H VAL 21 HN VAL 21 -17.407 -20.774 -8.718 157 HA VAL 21 HA VAL 21 -15.208 -21.430 -6.902 158 HB VAL 21 HB VAL 21 -16.648 -23.381 -6.322 159 HG11 VAL 21 HG11 VAL 21 -16.803 -22.112 -4.510 160 HG12 VAL 21 HG12 VAL 21 -18.375 -21.635 -5.152 161 HG13 VAL 21 HG13 VAL 21 -16.955 -20.644 -5.480 162 HG21 VAL 21 HG21 VAL 21 -18.187 -23.451 -8.102 163 HG22 VAL 21 HG22 VAL 21 -18.635 -21.764 -7.846 164 HG23 VAL 21 HG23 VAL 21 -19.114 -22.992 -6.673 165 H LEU 22 HN LEU 22 -14.032 -23.297 -7.454 166 HA LEU 22 HA LEU 22 -14.059 -23.985 -10.242 167 HB2 LEU 22 HB2 LEU 22 -11.971 -23.678 -8.937 168 HB3 LEU 22 HB1 LEU 22 -12.404 -25.062 -7.950 169 HG LEU 22 HG LEU 22 -12.028 -26.563 -9.700 170 HD11 LEU 22 HD11 LEU 22 -12.223 -26.173 -11.887 171 HD12 LEU 22 HD12 LEU 22 -11.353 -24.641 -11.791 172 HD13 LEU 22 HD13 LEU 22 -13.062 -24.717 -11.358 173 HD21 LEU 22 HD21 LEU 22 -9.901 -26.181 -9.048 174 HD22 LEU 22 HD22 LEU 22 -10.017 -24.445 -9.344 175 HD23 LEU 22 HD23 LEU 22 -9.763 -25.557 -10.692 176 H LEU 23 HN LEU 23 -14.539 -26.135 -11.088 177 HA LEU 23 HA LEU 23 -16.560 -27.396 -9.459 178 HB2 LEU 23 HB2 LEU 23 -17.351 -28.332 -11.393 179 HB3 LEU 23 HB1 LEU 23 -16.488 -26.948 -12.034 180 HG LEU 23 HG LEU 23 -14.506 -28.667 -12.151 181 HD11 LEU 23 HD11 LEU 23 -16.727 -30.521 -12.811 182 HD12 LEU 23 HD12 LEU 23 -16.141 -30.399 -11.153 183 HD13 LEU 23 HD13 LEU 23 -15.037 -30.867 -12.447 184 HD21 LEU 23 HD21 LEU 23 -16.539 -28.986 -14.290 185 HD22 LEU 23 HD22 LEU 23 -14.805 -28.695 -14.414 186 HD23 LEU 23 HD23 LEU 23 -15.885 -27.375 -13.969 187 H SER 24 HN SER 24 -13.324 -28.118 -10.496 188 HA SER 24 HA SER 24 -13.071 -30.830 -10.151 189 HB2 SER 24 HB2 SER 24 -10.740 -30.340 -9.329 190 HB3 SER 24 HB1 SER 24 -11.180 -29.546 -10.837 191 HG SER 24 HG SER 24 -10.155 -28.113 -9.387 192 H THR 25 HN THR 25 -13.019 -28.338 -7.770 193 HA THR 25 HA THR 25 -12.306 -29.686 -5.514 194 HB THR 25 HB THR 25 -13.497 -27.921 -4.299 195 HG1 THR 25 HG1 THR 25 -14.454 -26.872 -6.721 196 HG21 THR 25 HG21 THR 25 -11.486 -27.053 -5.000 197 HG22 THR 25 HG22 THR 25 -12.626 -25.921 -5.736 198 HG23 THR 25 HG23 THR 25 -11.902 -27.206 -6.707 199 H PHE 26 HN PHE 26 -15.443 -29.551 -7.026 200 HA PHE 26 HA PHE 26 -17.076 -30.586 -5.016 201 HB2 PHE 26 HB2 PHE 26 -17.328 -31.047 -8.001 202 HB3 PHE 26 HB1 PHE 26 -18.604 -31.264 -6.812 203 HD1 PHE 26 HD2 PHE 26 -17.124 -28.480 -5.571 204 HD2 PHE 26 HD1 PHE 26 -19.295 -29.703 -9.026 205 HE1 PHE 26 HE2 PHE 26 -17.876 -26.165 -5.913 206 HE2 PHE 26 HE1 PHE 26 -20.058 -27.388 -9.367 207 HZ PHE 26 HZ PHE 26 -19.343 -25.612 -7.818 208 H LEU 27 HN LEU 27 -15.704 -32.360 -7.772 209 HA LEU 27 HA LEU 27 -15.674 -34.785 -6.096 210 HB2 LEU 27 HB2 LEU 27 -17.512 -34.764 -7.782 211 HB3 LEU 27 HB1 LEU 27 -16.302 -34.654 -9.044 212 HG LEU 27 HG LEU 27 -15.386 -36.854 -8.252 213 HD11 LEU 27 HD11 LEU 27 -17.340 -38.142 -7.011 214 HD12 LEU 27 HD12 LEU 27 -17.639 -36.528 -6.366 215 HD13 LEU 27 HD13 LEU 27 -16.065 -37.290 -6.136 216 HD21 LEU 27 HD21 LEU 27 -16.584 -37.163 -10.152 217 HD22 LEU 27 HD22 LEU 27 -18.045 -36.427 -9.484 218 HD23 LEU 27 HD23 LEU 27 -17.597 -38.076 -9.040 Start of MODEL 7 1 H GLY 1 H GLY 1 -28.476 -9.567 -6.965 2 HA2 GLY 1 HA1 GLY 1 -26.647 -10.343 -4.764 3 HA3 GLY 1 HA2 GLY 1 -27.057 -11.322 -6.166 4 H TYR 2 HN TYR 2 -24.440 -10.864 -5.688 5 HA TYR 2 HA TYR 2 -23.726 -8.961 -7.821 6 HB2 TYR 2 HB2 TYR 2 -23.128 -7.961 -5.673 7 HB3 TYR 2 HB1 TYR 2 -22.244 -9.413 -5.215 8 HD1 TYR 2 HD1 TYR 2 -22.288 -6.866 -7.969 9 HD2 TYR 2 HD2 TYR 2 -19.974 -9.425 -5.481 10 HE1 TYR 2 HE1 TYR 2 -20.224 -5.942 -8.940 11 HE2 TYR 2 HE2 TYR 2 -17.911 -8.510 -6.444 12 HH TYR 2 HH TYR 2 -17.170 -6.438 -7.574 13 H ILE 3 HN ILE 3 -22.574 -9.838 -9.417 14 HA ILE 3 HA ILE 3 -21.384 -12.489 -8.918 15 HB ILE 3 HB ILE 3 -22.154 -11.227 -11.563 16 HG12 ILE 3 HG12 ILE 3 -24.066 -11.927 -10.058 17 HG13 ILE 3 HG11 ILE 3 -24.016 -12.726 -11.628 18 HG21 ILE 3 HG21 ILE 3 -21.284 -13.018 -12.656 19 HG22 ILE 3 HG22 ILE 3 -21.630 -14.126 -11.326 20 HG23 ILE 3 HG23 ILE 3 -20.228 -13.062 -11.245 21 HD11 ILE 3 HD11 ILE 3 -22.852 -14.637 -10.484 22 HD12 ILE 3 HD12 ILE 3 -24.542 -14.385 -10.053 23 HD13 ILE 3 HD13 ILE 3 -23.263 -13.856 -8.955 24 HA PRO 4 HA PRO 4 -17.531 -10.104 -9.215 25 HB2 PRO 4 HB2 PRO 4 -15.906 -12.182 -8.485 26 HB3 PRO 4 HB1 PRO 4 -16.766 -11.166 -7.322 27 HG2 PRO 4 HG2 PRO 4 -17.494 -13.870 -8.378 28 HG3 PRO 4 HG1 PRO 4 -17.588 -13.253 -6.717 29 HD2 PRO 4 HD2 PRO 4 -19.774 -13.413 -8.284 30 HD3 PRO 4 HD1 PRO 4 -19.553 -12.101 -7.121 31 H ARG 5 HN ARG 5 -15.263 -10.904 -10.216 32 HA ARG 5 HA ARG 5 -15.893 -11.657 -12.933 33 HB2 ARG 5 HB2 ARG 5 -14.125 -9.925 -12.153 34 HB3 ARG 5 HB1 ARG 5 -13.107 -11.325 -11.832 35 HG2 ARG 5 HG2 ARG 5 -13.212 -11.992 -14.152 36 HG3 ARG 5 HG1 ARG 5 -14.348 -10.689 -14.508 37 HD2 ARG 5 HD2 ARG 5 -12.253 -9.920 -15.240 38 HD3 ARG 5 HD1 ARG 5 -12.554 -9.094 -13.711 39 HE ARG 5 HE ARG 5 -11.072 -11.490 -13.298 40 HH11 ARG 5 HH11 ARG 5 -10.809 -8.194 -14.378 41 HH12 ARG 5 HH12 ARG 5 -9.106 -8.073 -14.095 42 HH21 ARG 5 HH21 ARG 5 -8.833 -11.373 -12.876 43 HH22 ARG 5 HH22 ARG 5 -7.956 -9.912 -13.225 44 H ALA 6 HN ALA 6 -15.452 -13.593 -13.916 45 HA ALA 6 HA ALA 6 -14.706 -15.767 -12.106 46 HB1 ALA 6 HB1 ALA 6 -16.205 -17.021 -13.159 47 HB2 ALA 6 HB2 ALA 6 -15.579 -16.567 -14.748 48 HB3 ALA 6 HB3 ALA 6 -16.744 -15.527 -13.930 49 HA PRO 7 HA PRO 7 -10.813 -15.935 -14.419 50 HB2 PRO 7 HB2 PRO 7 -9.420 -17.206 -12.510 51 HB3 PRO 7 HB1 PRO 7 -9.780 -15.481 -12.384 52 HG2 PRO 7 HG2 PRO 7 -11.069 -17.800 -11.021 53 HG3 PRO 7 HG1 PRO 7 -10.707 -16.184 -10.387 54 HD2 PRO 7 HD2 PRO 7 -13.190 -17.027 -11.290 55 HD3 PRO 7 HD1 PRO 7 -12.680 -15.335 -11.147 56 H ARG 8 HN ARG 8 -12.583 -17.464 -15.446 57 HA ARG 8 HA ARG 8 -12.383 -20.255 -14.890 58 HB2 ARG 8 HB2 ARG 8 -13.804 -20.440 -16.927 59 HB3 ARG 8 HB1 ARG 8 -14.435 -19.418 -15.653 60 HG2 ARG 8 HG2 ARG 8 -13.622 -17.436 -16.874 61 HG3 ARG 8 HG1 ARG 8 -13.109 -18.501 -18.187 62 HD2 ARG 8 HD2 ARG 8 -15.934 -18.161 -17.170 63 HD3 ARG 8 HD1 ARG 8 -15.279 -17.463 -18.650 64 HE ARG 8 HE ARG 8 -14.926 -20.262 -18.681 65 HH11 ARG 8 HH11 ARG 8 -17.430 -17.834 -18.955 66 HH12 ARG 8 HH12 ARG 8 -18.438 -18.805 -19.978 67 HH21 ARG 8 HH21 ARG 8 -16.232 -21.521 -20.051 68 HH22 ARG 8 HH22 ARG 8 -17.754 -20.902 -20.605 69 H ASP 9 HN ASP 9 -10.174 -18.590 -15.937 70 HA ASP 9 HA ASP 9 -9.387 -19.992 -18.342 71 HB2 ASP 9 HB2 ASP 9 -7.413 -18.465 -18.308 72 HB3 ASP 9 HB1 ASP 9 -8.967 -17.646 -18.341 73 H GLY 10 HN GLY 10 -9.536 -21.949 -16.935 74 HA2 GLY 10 HA2 GLY 10 -7.773 -23.669 -16.715 75 HA3 GLY 10 HA1 GLY 10 -6.880 -22.499 -15.755 76 H GLN 11 HN GLN 11 -10.146 -22.272 -15.091 77 HA GLN 11 HA GLN 11 -10.257 -24.317 -13.084 78 HB2 GLN 11 HB2 GLN 11 -10.328 -21.361 -12.489 79 HB3 GLN 11 HB1 GLN 11 -10.897 -22.584 -11.392 80 HG2 GLN 11 HG2 GLN 11 -8.754 -23.438 -11.023 81 HG3 GLN 11 HG1 GLN 11 -8.100 -22.637 -12.448 82 HE21 GLN 11 HE21 GLN 11 -6.806 -21.048 -11.964 83 HE22 GLN 11 HE22 GLN 11 -6.945 -19.982 -10.609 84 H ALA 12 HN ALA 12 -12.140 -25.173 -13.575 85 HA ALA 12 HA ALA 12 -14.213 -23.805 -14.958 86 HB1 ALA 12 HB1 ALA 12 -15.239 -25.845 -15.121 87 HB2 ALA 12 HB2 ALA 12 -14.697 -26.361 -13.525 88 HB3 ALA 12 HB3 ALA 12 -13.562 -26.342 -14.879 89 H TYR 13 HN TYR 13 -15.157 -22.160 -13.852 90 HA TYR 13 HA TYR 13 -15.946 -22.666 -11.092 91 HB2 TYR 13 HB2 TYR 13 -15.595 -20.120 -12.650 92 HB3 TYR 13 HB1 TYR 13 -16.551 -20.145 -11.179 93 HD1 TYR 13 HD2 TYR 13 -13.955 -22.541 -10.953 94 HD2 TYR 13 HD1 TYR 13 -14.748 -18.389 -10.635 95 HE1 TYR 13 HE2 TYR 13 -11.946 -22.262 -9.579 96 HE2 TYR 13 HE1 TYR 13 -12.748 -18.093 -9.262 97 HH TYR 13 HH TYR 13 -10.337 -20.396 -9.006 98 H VAL 14 HN VAL 14 -17.897 -22.988 -10.453 99 HA VAL 14 HA VAL 14 -20.076 -22.770 -12.386 100 HB VAL 14 HB VAL 14 -19.990 -24.934 -11.406 101 HG11 VAL 14 HG11 VAL 14 -19.753 -23.497 -8.787 102 HG12 VAL 14 HG12 VAL 14 -18.641 -24.659 -9.507 103 HG13 VAL 14 HG13 VAL 14 -20.201 -25.201 -8.883 104 HG21 VAL 14 HG21 VAL 14 -22.105 -25.059 -10.058 105 HG22 VAL 14 HG22 VAL 14 -22.236 -24.299 -11.643 106 HG23 VAL 14 HG23 VAL 14 -22.187 -23.304 -10.186 107 H ARG 15 HN ARG 15 -22.059 -21.845 -11.723 108 HA ARG 15 HA ARG 15 -21.660 -19.367 -10.337 109 HB2 ARG 15 HB2 ARG 15 -24.205 -20.540 -11.462 110 HB3 ARG 15 HB1 ARG 15 -24.011 -18.894 -10.879 111 HG2 ARG 15 HG2 ARG 15 -22.199 -18.649 -12.651 112 HG3 ARG 15 HG1 ARG 15 -22.801 -20.165 -13.322 113 HD2 ARG 15 HD2 ARG 15 -24.396 -17.635 -12.914 114 HD3 ARG 15 HD1 ARG 15 -23.821 -18.268 -14.454 115 HE ARG 15 HE ARG 15 -25.328 -20.287 -13.347 116 HH11 ARG 15 HH11 ARG 15 -25.830 -16.972 -14.345 117 HH12 ARG 15 HH12 ARG 15 -27.512 -17.197 -14.712 118 HH21 ARG 15 HH21 ARG 15 -27.537 -20.604 -13.846 119 HH22 ARG 15 HH22 ARG 15 -28.486 -19.270 -14.438 120 H LYS 16 HN LYS 16 -21.930 -18.967 -8.287 121 HA LYS 16 HA LYS 16 -23.712 -20.693 -6.698 122 HB2 LYS 16 HB2 LYS 16 -21.334 -20.989 -6.114 123 HB3 LYS 16 HB1 LYS 16 -21.218 -19.269 -5.769 124 HG2 LYS 16 HG2 LYS 16 -21.759 -19.740 -3.697 125 HG3 LYS 16 HG1 LYS 16 -23.369 -20.124 -4.262 126 HD2 LYS 16 HD2 LYS 16 -22.455 -21.934 -2.897 127 HD3 LYS 16 HD1 LYS 16 -22.739 -22.456 -4.560 128 HE2 LYS 16 HE2 LYS 16 -20.382 -22.262 -5.061 129 HE3 LYS 16 HE1 LYS 16 -20.065 -21.599 -3.454 130 HZ1 LYS 16 HZ1 LYS 16 -21.035 -24.349 -4.063 131 HZ2 LYS 16 HZ2 LYS 16 -20.812 -23.709 -2.496 132 HZ3 LYS 16 HZ3 LYS 16 -19.486 -23.930 -3.527 133 H ASP 17 HN ASP 17 -24.356 -18.457 -8.196 134 HA ASP 17 HA ASP 17 -25.654 -16.624 -8.215 135 HB2 ASP 17 HB2 ASP 17 -26.184 -17.654 -5.500 136 HB3 ASP 17 HB1 ASP 17 -26.711 -16.016 -5.860 137 H GLY 18 HN GLY 18 -23.196 -16.635 -5.984 138 HA2 GLY 18 HA2 GLY 18 -22.596 -13.903 -6.564 139 HA3 GLY 18 HA1 GLY 18 -22.893 -14.251 -4.874 140 H GLU 19 HN GLU 19 -21.558 -17.031 -5.887 141 HA GLU 19 HA GLU 19 -18.811 -16.045 -5.476 142 HB2 GLU 19 HB2 GLU 19 -19.930 -18.681 -4.516 143 HB3 GLU 19 HB1 GLU 19 -18.333 -18.034 -4.181 144 HG2 GLU 19 HG2 GLU 19 -19.325 -16.236 -2.863 145 HG3 GLU 19 HG1 GLU 19 -20.933 -16.856 -3.242 146 H TRP 20 HN TRP 20 -17.188 -16.999 -6.641 147 HA TRP 20 HA TRP 20 -18.036 -18.869 -8.762 148 HB2 TRP 20 HB2 TRP 20 -15.829 -16.808 -8.692 149 HB3 TRP 20 HB1 TRP 20 -15.764 -18.161 -9.800 150 HD1 TRP 20 HD1 TRP 20 -16.695 -14.706 -9.865 151 HE1 TRP 20 HE1 TRP 20 -18.374 -14.206 -11.760 152 HE3 TRP 20 HE3 TRP 20 -18.222 -19.471 -10.862 153 HZ2 TRP 20 HZ2 TRP 20 -20.117 -15.658 -13.444 154 HZ3 TRP 20 HZ3 TRP 20 -19.880 -19.842 -12.623 155 HH2 TRP 20 HH2 TRP 20 -20.816 -17.966 -13.895 156 H VAL 21 HN VAL 21 -17.512 -20.792 -8.554 157 HA VAL 21 HA VAL 21 -15.243 -21.479 -6.806 158 HB VAL 21 HB VAL 21 -16.967 -23.502 -6.524 159 HG11 VAL 21 HG11 VAL 21 -15.935 -22.445 -4.648 160 HG12 VAL 21 HG12 VAL 21 -17.677 -22.403 -4.390 161 HG13 VAL 21 HG13 VAL 21 -16.833 -20.955 -4.947 162 HG21 VAL 21 HG21 VAL 21 -18.554 -22.067 -7.958 163 HG22 VAL 21 HG22 VAL 21 -18.796 -21.163 -6.464 164 HG23 VAL 21 HG23 VAL 21 -19.192 -22.879 -6.529 165 H LEU 22 HN LEU 22 -14.027 -23.212 -7.311 166 HA LEU 22 HA LEU 22 -14.105 -24.169 -10.009 167 HB2 LEU 22 HB2 LEU 22 -12.194 -23.780 -8.073 168 HB3 LEU 22 HB1 LEU 22 -12.393 -25.508 -8.054 169 HG LEU 22 HG LEU 22 -11.484 -23.769 -10.337 170 HD11 LEU 22 HD11 LEU 22 -10.220 -25.745 -8.540 171 HD12 LEU 22 HD12 LEU 22 -9.586 -24.240 -9.213 172 HD13 LEU 22 HD13 LEU 22 -9.676 -25.689 -10.218 173 HD21 LEU 22 HD21 LEU 22 -11.370 -25.791 -11.719 174 HD22 LEU 22 HD22 LEU 22 -13.029 -25.361 -11.287 175 HD23 LEU 22 HD23 LEU 22 -12.212 -26.688 -10.454 176 H LEU 23 HN LEU 23 -14.827 -26.217 -10.658 177 HA LEU 23 HA LEU 23 -16.438 -27.558 -8.624 178 HB2 LEU 23 HB2 LEU 23 -17.755 -28.345 -10.338 179 HB3 LEU 23 HB1 LEU 23 -17.138 -26.848 -11.013 180 HG LEU 23 HG LEU 23 -15.245 -28.513 -11.869 181 HD11 LEU 23 HD11 LEU 23 -15.979 -30.569 -11.191 182 HD12 LEU 23 HD12 LEU 23 -16.645 -30.486 -12.821 183 HD13 LEU 23 HD13 LEU 23 -17.681 -30.164 -11.425 184 HD21 LEU 23 HD21 LEU 23 -17.198 -26.968 -12.976 185 HD22 LEU 23 HD22 LEU 23 -17.594 -28.566 -13.604 186 HD23 LEU 23 HD23 LEU 23 -15.992 -27.887 -13.882 187 H SER 24 HN SER 24 -13.635 -28.082 -10.545 188 HA SER 24 HA SER 24 -13.265 -30.750 -10.778 189 HB2 SER 24 HB2 SER 24 -10.817 -30.337 -10.303 190 HB3 SER 24 HB1 SER 24 -11.542 -29.263 -11.499 191 HG SER 24 HG SER 24 -10.285 -28.087 -10.029 192 H THR 25 HN THR 25 -12.591 -28.882 -7.950 193 HA THR 25 HA THR 25 -11.545 -30.725 -6.250 194 HB THR 25 HB THR 25 -12.455 -29.248 -4.452 195 HG1 THR 25 HG1 THR 25 -13.621 -27.409 -5.182 196 HG21 THR 25 HG21 THR 25 -10.376 -28.652 -5.607 197 HG22 THR 25 HG22 THR 25 -11.306 -27.227 -5.137 198 HG23 THR 25 HG23 THR 25 -11.317 -27.777 -6.815 199 H PHE 26 HN PHE 26 -14.908 -30.256 -7.017 200 HA PHE 26 HA PHE 26 -16.122 -31.622 -4.920 201 HB2 PHE 26 HB2 PHE 26 -17.005 -31.304 -7.792 202 HB3 PHE 26 HB1 PHE 26 -18.023 -31.980 -6.527 203 HD1 PHE 26 HD2 PHE 26 -16.051 -29.513 -5.064 204 HD2 PHE 26 HD1 PHE 26 -19.410 -29.994 -7.625 205 HE1 PHE 26 HE2 PHE 26 -16.840 -27.278 -4.438 206 HE2 PHE 26 HE1 PHE 26 -20.210 -27.760 -7.008 207 HZ PHE 26 HZ PHE 26 -18.923 -26.390 -5.411 208 H LEU 27 HN LEU 27 -15.487 -32.917 -8.181 209 HA LEU 27 HA LEU 27 -15.328 -35.589 -6.963 210 HB2 LEU 27 HB2 LEU 27 -17.374 -35.036 -8.419 211 HB3 LEU 27 HB1 LEU 27 -16.261 -35.082 -9.774 212 HG LEU 27 HG LEU 27 -16.482 -37.424 -7.906 213 HD11 LEU 27 HD11 LEU 27 -18.156 -37.136 -10.383 214 HD12 LEU 27 HD12 LEU 27 -18.751 -36.680 -8.789 215 HD13 LEU 27 HD13 LEU 27 -18.270 -38.343 -9.102 216 HD21 LEU 27 HD21 LEU 27 -14.656 -37.224 -9.631 217 HD22 LEU 27 HD22 LEU 27 -15.913 -37.333 -10.863 218 HD23 LEU 27 HD23 LEU 27 -15.653 -38.672 -9.743 Start of MODEL 8 1 H GLY 1 H GLY 1 -26.373 -7.312 -4.214 2 HA2 GLY 1 HA1 GLY 1 -23.838 -7.393 -4.197 3 HA3 GLY 1 HA2 GLY 1 -24.055 -9.109 -3.882 4 H TYR 2 HN TYR 2 -22.720 -8.581 -6.086 5 HA TYR 2 HA TYR 2 -24.676 -9.127 -8.215 6 HB2 TYR 2 HB2 TYR 2 -23.271 -7.854 -9.798 7 HB3 TYR 2 HB1 TYR 2 -23.930 -6.837 -8.526 8 HD1 TYR 2 HD1 TYR 2 -20.822 -8.736 -9.393 9 HD2 TYR 2 HD2 TYR 2 -22.520 -5.385 -7.400 10 HE1 TYR 2 HE1 TYR 2 -18.565 -7.895 -8.900 11 HE2 TYR 2 HE2 TYR 2 -20.268 -4.532 -6.904 12 HH TYR 2 HH TYR 2 -17.710 -6.075 -6.754 13 H ILE 3 HN ILE 3 -23.369 -9.931 -10.240 14 HA ILE 3 HA ILE 3 -21.854 -12.248 -9.295 15 HB ILE 3 HB ILE 3 -22.767 -11.585 -12.099 16 HG12 ILE 3 HG12 ILE 3 -24.645 -11.819 -10.487 17 HG13 ILE 3 HG11 ILE 3 -24.635 -13.080 -11.720 18 HG21 ILE 3 HG21 ILE 3 -21.956 -13.577 -12.786 19 HG22 ILE 3 HG22 ILE 3 -22.303 -14.370 -11.251 20 HG23 ILE 3 HG23 ILE 3 -20.868 -13.358 -11.417 21 HD11 ILE 3 HD11 ILE 3 -24.010 -13.270 -8.809 22 HD12 ILE 3 HD12 ILE 3 -23.368 -14.459 -9.947 23 HD13 ILE 3 HD13 ILE 3 -25.107 -14.240 -9.792 24 HA PRO 4 HA PRO 4 -18.144 -9.871 -10.356 25 HB2 PRO 4 HB2 PRO 4 -16.385 -11.680 -9.332 26 HB3 PRO 4 HB1 PRO 4 -17.245 -10.503 -8.337 27 HG2 PRO 4 HG2 PRO 4 -17.863 -13.394 -8.805 28 HG3 PRO 4 HG1 PRO 4 -17.919 -12.465 -7.294 29 HD2 PRO 4 HD2 PRO 4 -20.141 -13.052 -8.714 30 HD3 PRO 4 HD1 PRO 4 -19.979 -11.550 -7.787 31 H ARG 5 HN ARG 5 -16.027 -10.529 -11.443 32 HA ARG 5 HA ARG 5 -16.668 -11.890 -13.879 33 HB2 ARG 5 HB2 ARG 5 -15.147 -9.958 -13.848 34 HB3 ARG 5 HB1 ARG 5 -14.012 -10.865 -12.856 35 HG2 ARG 5 HG2 ARG 5 -13.616 -12.415 -14.666 36 HG3 ARG 5 HG1 ARG 5 -14.835 -11.610 -15.660 37 HD2 ARG 5 HD2 ARG 5 -12.346 -10.283 -14.581 38 HD3 ARG 5 HD1 ARG 5 -12.504 -10.941 -16.212 39 HE ARG 5 HE ARG 5 -14.603 -9.219 -15.997 40 HH11 ARG 5 HH11 ARG 5 -11.159 -8.916 -15.468 41 HH12 ARG 5 HH12 ARG 5 -11.094 -7.266 -15.987 42 HH21 ARG 5 HH21 ARG 5 -14.521 -7.035 -16.647 43 HH22 ARG 5 HH22 ARG 5 -13.004 -6.185 -16.623 44 H ALA 6 HN ALA 6 -16.265 -13.947 -14.454 45 HA ALA 6 HA ALA 6 -15.174 -15.724 -12.423 46 HB1 ALA 6 HB1 ALA 6 -17.158 -16.590 -13.263 47 HB2 ALA 6 HB2 ALA 6 -15.924 -17.497 -14.140 48 HB3 ALA 6 HB3 ALA 6 -16.758 -16.155 -14.925 49 HA PRO 7 HA PRO 7 -11.362 -15.802 -14.860 50 HB2 PRO 7 HB2 PRO 7 -9.744 -16.589 -12.864 51 HB3 PRO 7 HB1 PRO 7 -10.334 -14.926 -12.969 52 HG2 PRO 7 HG2 PRO 7 -11.226 -17.144 -11.198 53 HG3 PRO 7 HG1 PRO 7 -11.116 -15.411 -10.856 54 HD2 PRO 7 HD2 PRO 7 -13.446 -16.797 -11.523 55 HD3 PRO 7 HD1 PRO 7 -13.236 -15.038 -11.581 56 H ARG 8 HN ARG 8 -12.980 -17.711 -15.541 57 HA ARG 8 HA ARG 8 -12.173 -20.305 -14.640 58 HB2 ARG 8 HB2 ARG 8 -13.778 -21.087 -16.369 59 HB3 ARG 8 HB1 ARG 8 -14.430 -20.041 -15.122 60 HG2 ARG 8 HG2 ARG 8 -14.217 -18.130 -16.722 61 HG3 ARG 8 HG1 ARG 8 -13.810 -19.317 -17.967 62 HD2 ARG 8 HD2 ARG 8 -15.990 -20.441 -17.512 63 HD3 ARG 8 HD1 ARG 8 -16.385 -19.120 -16.408 64 HE ARG 8 HE ARG 8 -15.664 -18.143 -18.990 65 HH11 ARG 8 HH11 ARG 8 -18.293 -19.594 -17.186 66 HH12 ARG 8 HH12 ARG 8 -19.524 -18.943 -18.224 67 HH21 ARG 8 HH21 ARG 8 -17.270 -17.304 -20.349 68 HH22 ARG 8 HH22 ARG 8 -18.944 -17.629 -20.017 69 H ASP 9 HN ASP 9 -10.057 -19.642 -15.222 70 HA ASP 9 HA ASP 9 -9.351 -20.579 -17.900 71 HB2 ASP 9 HB2 ASP 9 -8.906 -18.152 -17.644 72 HB3 ASP 9 HB1 ASP 9 -7.829 -18.552 -16.323 73 H GLY 10 HN GLY 10 -9.372 -22.661 -16.843 74 HA2 GLY 10 HA2 GLY 10 -7.866 -24.413 -16.281 75 HA3 GLY 10 HA1 GLY 10 -6.807 -23.229 -15.520 76 H GLN 11 HN GLN 11 -9.858 -22.446 -14.672 77 HA GLN 11 HA GLN 11 -10.036 -24.170 -12.343 78 HB2 GLN 11 HB2 GLN 11 -10.293 -21.162 -12.329 79 HB3 GLN 11 HB1 GLN 11 -10.494 -22.220 -10.963 80 HG2 GLN 11 HG2 GLN 11 -8.203 -22.747 -10.889 81 HG3 GLN 11 HG1 GLN 11 -7.920 -22.031 -12.474 82 HE21 GLN 11 HE21 GLN 11 -10.001 -19.967 -11.153 83 HE22 GLN 11 HE22 GLN 11 -8.921 -18.876 -10.363 84 H ALA 12 HN ALA 12 -11.827 -25.176 -13.023 85 HA ALA 12 HA ALA 12 -13.959 -23.958 -14.449 86 HB1 ALA 12 HB1 ALA 12 -14.778 -26.330 -13.036 87 HB2 ALA 12 HB2 ALA 12 -13.190 -26.567 -13.766 88 HB3 ALA 12 HB3 ALA 12 -14.556 -26.086 -14.771 89 H TYR 13 HN TYR 13 -15.066 -22.315 -13.452 90 HA TYR 13 HA TYR 13 -15.732 -22.673 -10.643 91 HB2 TYR 13 HB2 TYR 13 -15.750 -20.245 -12.410 92 HB3 TYR 13 HB1 TYR 13 -16.654 -20.277 -10.909 93 HD1 TYR 13 HD2 TYR 13 -13.790 -22.307 -10.529 94 HD2 TYR 13 HD1 TYR 13 -15.066 -18.264 -10.627 95 HE1 TYR 13 HE2 TYR 13 -11.783 -21.641 -9.271 96 HE2 TYR 13 HE1 TYR 13 -13.084 -17.586 -9.375 97 HH TYR 13 HH TYR 13 -10.818 -19.931 -8.076 98 H VAL 14 HN VAL 14 -17.622 -23.100 -9.877 99 HA VAL 14 HA VAL 14 -19.862 -23.416 -11.734 100 HB VAL 14 HB VAL 14 -19.289 -25.371 -10.387 101 HG11 VAL 14 HG11 VAL 14 -19.531 -23.457 -8.133 102 HG12 VAL 14 HG12 VAL 14 -18.314 -24.700 -8.429 103 HG13 VAL 14 HG13 VAL 14 -19.925 -25.153 -7.866 104 HG21 VAL 14 HG21 VAL 14 -21.415 -26.017 -10.149 105 HG22 VAL 14 HG22 VAL 14 -21.802 -24.409 -10.757 106 HG23 VAL 14 HG23 VAL 14 -21.778 -24.710 -9.019 107 H ARG 15 HN ARG 15 -21.979 -22.772 -10.943 108 HA ARG 15 HA ARG 15 -21.874 -20.081 -9.902 109 HB2 ARG 15 HB2 ARG 15 -24.415 -20.214 -10.195 110 HB3 ARG 15 HB1 ARG 15 -23.438 -20.311 -11.652 111 HG2 ARG 15 HG2 ARG 15 -24.023 -22.462 -12.061 112 HG3 ARG 15 HG1 ARG 15 -24.162 -22.869 -10.351 113 HD2 ARG 15 HD2 ARG 15 -26.330 -22.891 -11.518 114 HD3 ARG 15 HD1 ARG 15 -26.270 -21.734 -10.188 115 HE ARG 15 HE ARG 15 -25.641 -20.596 -12.763 116 HH11 ARG 15 HH11 ARG 15 -28.146 -21.352 -10.435 117 HH12 ARG 15 HH12 ARG 15 -29.309 -20.279 -11.145 118 HH21 ARG 15 HH21 ARG 15 -27.136 -19.147 -13.649 119 HH22 ARG 15 HH22 ARG 15 -28.731 -19.029 -12.985 120 H LYS 16 HN LYS 16 -22.239 -19.450 -7.878 121 HA LYS 16 HA LYS 16 -23.557 -21.357 -6.073 122 HB2 LYS 16 HB2 LYS 16 -21.054 -21.142 -5.671 123 HB3 LYS 16 HB1 LYS 16 -21.359 -19.475 -5.191 124 HG2 LYS 16 HG2 LYS 16 -22.638 -20.153 -3.311 125 HG3 LYS 16 HG1 LYS 16 -22.731 -21.819 -3.889 126 HD2 LYS 16 HD2 LYS 16 -20.155 -20.452 -3.130 127 HD3 LYS 16 HD1 LYS 16 -21.118 -21.411 -2.009 128 HE2 LYS 16 HE2 LYS 16 -19.817 -22.362 -4.556 129 HE3 LYS 16 HE1 LYS 16 -19.369 -22.796 -2.908 130 HZ1 LYS 16 HZ1 LYS 16 -21.568 -23.780 -4.560 131 HZ2 LYS 16 HZ2 LYS 16 -21.912 -23.561 -2.917 132 HZ3 LYS 16 HZ3 LYS 16 -20.644 -24.590 -3.385 133 H ASP 17 HN ASP 17 -24.918 -19.578 -7.530 134 HA ASP 17 HA ASP 17 -26.598 -18.051 -7.387 135 HB2 ASP 17 HB2 ASP 17 -26.084 -18.751 -4.605 136 HB3 ASP 17 HB1 ASP 17 -26.917 -17.230 -4.858 137 H GLY 18 HN GLY 18 -23.633 -17.328 -6.903 138 HA2 GLY 18 HA2 GLY 18 -23.614 -14.752 -7.726 139 HA3 GLY 18 HA1 GLY 18 -23.791 -14.653 -5.988 140 H GLU 19 HN GLU 19 -22.145 -17.197 -5.781 141 HA GLU 19 HA GLU 19 -19.567 -15.805 -5.914 142 HB2 GLU 19 HB2 GLU 19 -20.284 -18.319 -4.402 143 HB3 GLU 19 HB1 GLU 19 -18.774 -17.433 -4.284 144 HG2 GLU 19 HG2 GLU 19 -20.107 -15.464 -3.494 145 HG3 GLU 19 HG1 GLU 19 -21.488 -16.550 -3.392 146 H TRP 20 HN TRP 20 -17.777 -16.668 -6.845 147 HA TRP 20 HA TRP 20 -18.266 -18.859 -8.743 148 HB2 TRP 20 HB2 TRP 20 -16.255 -16.615 -8.708 149 HB3 TRP 20 HB1 TRP 20 -16.002 -18.044 -9.689 150 HD1 TRP 20 HD1 TRP 20 -17.244 -14.721 -10.157 151 HE1 TRP 20 HE1 TRP 20 -18.920 -14.600 -12.117 152 HE3 TRP 20 HE3 TRP 20 -18.243 -19.692 -10.641 153 HZ2 TRP 20 HZ2 TRP 20 -20.466 -16.422 -13.667 154 HZ3 TRP 20 HZ3 TRP 20 -19.788 -20.444 -12.375 155 HH2 TRP 20 HH2 TRP 20 -20.891 -18.841 -13.868 156 H VAL 21 HN VAL 21 -17.396 -20.763 -8.497 157 HA VAL 21 HA VAL 21 -15.257 -21.120 -6.473 158 HB VAL 21 HB VAL 21 -17.120 -23.289 -6.539 159 HG11 VAL 21 HG11 VAL 21 -15.651 -21.737 -4.663 160 HG12 VAL 21 HG12 VAL 21 -16.395 -23.322 -4.445 161 HG13 VAL 21 HG13 VAL 21 -17.325 -21.858 -4.120 162 HG21 VAL 21 HG21 VAL 21 -18.269 -20.631 -6.729 163 HG22 VAL 21 HG22 VAL 21 -18.849 -21.551 -5.343 164 HG23 VAL 21 HG23 VAL 21 -19.010 -22.213 -6.972 165 H LEU 22 HN LEU 22 -13.725 -22.668 -6.938 166 HA LEU 22 HA LEU 22 -13.715 -23.845 -9.545 167 HB2 LEU 22 HB2 LEU 22 -11.815 -23.119 -7.741 168 HB3 LEU 22 HB1 LEU 22 -11.895 -24.835 -7.455 169 HG LEU 22 HG LEU 22 -11.108 -23.396 -9.972 170 HD11 LEU 22 HD11 LEU 22 -9.761 -25.259 -8.069 171 HD12 LEU 22 HD12 LEU 22 -9.232 -23.676 -8.649 172 HD13 LEU 22 HD13 LEU 22 -9.186 -25.075 -9.724 173 HD21 LEU 22 HD21 LEU 22 -11.117 -25.410 -11.189 174 HD22 LEU 22 HD22 LEU 22 -12.708 -25.268 -10.436 175 HD23 LEU 22 HD23 LEU 22 -11.501 -26.358 -9.752 176 H LEU 23 HN LEU 23 -14.521 -25.871 -10.060 177 HA LEU 23 HA LEU 23 -15.597 -27.373 -7.768 178 HB2 LEU 23 HB2 LEU 23 -17.467 -27.849 -9.003 179 HB3 LEU 23 HB1 LEU 23 -17.027 -26.260 -9.587 180 HG LEU 23 HG LEU 23 -15.675 -27.771 -11.335 181 HD11 LEU 23 HD11 LEU 23 -16.462 -29.876 -10.561 182 HD12 LEU 23 HD12 LEU 23 -17.238 -29.534 -12.108 183 HD13 LEU 23 HD13 LEU 23 -18.136 -29.323 -10.603 184 HD21 LEU 23 HD21 LEU 23 -17.120 -25.905 -11.880 185 HD22 LEU 23 HD22 LEU 23 -18.541 -26.901 -11.566 186 HD23 LEU 23 HD23 LEU 23 -17.474 -27.287 -12.916 187 H SER 24 HN SER 24 -13.673 -27.664 -10.621 188 HA SER 24 HA SER 24 -13.698 -30.242 -11.385 189 HB2 SER 24 HB2 SER 24 -11.213 -30.113 -11.734 190 HB3 SER 24 HB1 SER 24 -12.127 -28.759 -12.392 191 HG SER 24 HG SER 24 -10.241 -28.815 -10.397 192 H THR 25 HN THR 25 -11.894 -29.062 -8.665 193 HA THR 25 HA THR 25 -10.733 -31.425 -7.831 194 HB THR 25 HB THR 25 -10.098 -29.201 -7.082 195 HG1 THR 25 HG1 THR 25 -9.521 -31.009 -5.798 196 HG21 THR 25 HG21 THR 25 -12.441 -28.360 -6.741 197 HG22 THR 25 HG22 THR 25 -11.238 -27.889 -5.543 198 HG23 THR 25 HG23 THR 25 -12.392 -29.173 -5.177 199 H PHE 26 HN PHE 26 -13.866 -30.096 -7.074 200 HA PHE 26 HA PHE 26 -14.648 -31.748 -4.954 201 HB2 PHE 26 HB2 PHE 26 -16.404 -30.577 -7.126 202 HB3 PHE 26 HB1 PHE 26 -16.959 -31.180 -5.569 203 HD1 PHE 26 HD2 PHE 26 -14.206 -29.815 -4.398 204 HD2 PHE 26 HD1 PHE 26 -17.692 -28.546 -6.478 205 HE1 PHE 26 HE2 PHE 26 -13.958 -27.573 -3.431 206 HE2 PHE 26 HE1 PHE 26 -17.456 -26.301 -5.517 207 HZ PHE 26 HZ PHE 26 -15.585 -25.805 -3.981 208 H LEU 27 HN LEU 27 -15.477 -32.075 -8.393 209 HA LEU 27 HA LEU 27 -15.410 -34.976 -8.179 210 HB2 LEU 27 HB2 LEU 27 -17.730 -34.031 -7.559 211 HB3 LEU 27 HB1 LEU 27 -17.875 -33.622 -9.255 212 HG LEU 27 HG LEU 27 -17.351 -36.443 -8.332 213 HD11 LEU 27 HD11 LEU 27 -19.996 -35.064 -8.791 214 HD12 LEU 27 HD12 LEU 27 -19.405 -35.741 -7.271 215 HD13 LEU 27 HD13 LEU 27 -19.782 -36.807 -8.624 216 HD21 LEU 27 HD21 LEU 27 -18.123 -37.075 -10.482 217 HD22 LEU 27 HD22 LEU 27 -16.949 -35.779 -10.727 218 HD23 LEU 27 HD23 LEU 27 -18.677 -35.437 -10.839 Start of MODEL 9 1 H GLY 1 H GLY 1 -23.898 -9.441 -3.067 2 HA2 GLY 1 HA1 GLY 1 -23.396 -7.304 -4.366 3 HA3 GLY 1 HA2 GLY 1 -22.134 -8.511 -4.186 4 H TYR 2 HN TYR 2 -21.717 -6.884 -6.183 5 HA TYR 2 HA TYR 2 -22.968 -7.677 -8.637 6 HB2 TYR 2 HB2 TYR 2 -21.888 -5.418 -8.177 7 HB3 TYR 2 HB1 TYR 2 -20.328 -6.225 -8.313 8 HD1 TYR 2 HD2 TYR 2 -22.657 -7.686 -10.551 9 HD2 TYR 2 HD1 TYR 2 -20.104 -4.308 -10.102 10 HE1 TYR 2 HE2 TYR 2 -22.702 -7.335 -12.980 11 HE2 TYR 2 HE1 TYR 2 -20.147 -3.946 -12.537 12 HH TYR 2 HH TYR 2 -20.935 -4.657 -14.512 13 H ILE 3 HN ILE 3 -22.585 -9.536 -9.649 14 HA ILE 3 HA ILE 3 -20.145 -11.011 -9.032 15 HB ILE 3 HB ILE 3 -22.634 -11.849 -10.515 16 HG12 ILE 3 HG12 ILE 3 -21.602 -12.357 -7.731 17 HG13 ILE 3 HG11 ILE 3 -23.101 -11.556 -8.201 18 HG21 ILE 3 HG21 ILE 3 -20.376 -13.615 -9.605 19 HG22 ILE 3 HG22 ILE 3 -20.537 -13.003 -11.252 20 HG23 ILE 3 HG23 ILE 3 -21.775 -14.063 -10.577 21 HD11 ILE 3 HD11 ILE 3 -22.976 -14.112 -7.402 22 HD12 ILE 3 HD12 ILE 3 -22.769 -14.327 -9.139 23 HD13 ILE 3 HD13 ILE 3 -24.195 -13.504 -8.522 24 HA PRO 4 HA PRO 4 -18.510 -9.618 -12.979 25 HB2 PRO 4 HB2 PRO 4 -15.992 -10.423 -12.548 26 HB3 PRO 4 HB1 PRO 4 -16.663 -9.017 -11.712 27 HG2 PRO 4 HG2 PRO 4 -16.293 -11.819 -10.710 28 HG3 PRO 4 HG1 PRO 4 -15.971 -10.280 -9.884 29 HD2 PRO 4 HD2 PRO 4 -18.236 -11.775 -9.503 30 HD3 PRO 4 HD1 PRO 4 -18.152 -10.021 -9.257 31 H ARG 5 HN ARG 5 -16.596 -10.900 -14.316 32 HA ARG 5 HA ARG 5 -17.895 -13.263 -15.328 33 HB2 ARG 5 HB2 ARG 5 -16.743 -11.617 -16.801 34 HB3 ARG 5 HB1 ARG 5 -15.212 -12.039 -16.043 35 HG2 ARG 5 HG2 ARG 5 -15.533 -14.371 -16.857 36 HG3 ARG 5 HG1 ARG 5 -16.956 -13.805 -17.739 37 HD2 ARG 5 HD2 ARG 5 -14.976 -13.877 -19.182 38 HD3 ARG 5 HD1 ARG 5 -15.593 -12.236 -18.993 39 HE ARG 5 HE ARG 5 -13.628 -11.644 -17.968 40 HH11 ARG 5 HH11 ARG 5 -13.822 -15.124 -18.113 41 HH12 ARG 5 HH12 ARG 5 -12.233 -15.371 -17.464 42 HH21 ARG 5 HH21 ARG 5 -11.558 -11.963 -17.058 43 HH22 ARG 5 HH22 ARG 5 -10.959 -13.583 -16.836 44 H ALA 6 HN ALA 6 -17.390 -15.336 -14.874 45 HA ALA 6 HA ALA 6 -15.862 -15.947 -12.600 46 HB1 ALA 6 HB1 ALA 6 -17.502 -17.373 -14.474 47 HB2 ALA 6 HB2 ALA 6 -17.065 -17.804 -12.817 48 HB3 ALA 6 HB3 ALA 6 -16.025 -18.286 -14.159 49 HA PRO 7 HA PRO 7 -11.780 -15.869 -14.422 50 HB2 PRO 7 HB2 PRO 7 -10.421 -16.746 -12.265 51 HB3 PRO 7 HB1 PRO 7 -11.109 -15.114 -12.342 52 HG2 PRO 7 HG2 PRO 7 -12.219 -17.581 -11.017 53 HG3 PRO 7 HG1 PRO 7 -12.100 -15.925 -10.379 54 HD2 PRO 7 HD2 PRO 7 -14.395 -16.925 -11.435 55 HD3 PRO 7 HD1 PRO 7 -13.952 -15.210 -11.566 56 H ARG 8 HN ARG 8 -12.893 -17.764 -15.637 57 HA ARG 8 HA ARG 8 -12.004 -20.384 -14.816 58 HB2 ARG 8 HB2 ARG 8 -13.185 -21.106 -16.853 59 HB3 ARG 8 HB1 ARG 8 -14.150 -20.237 -15.683 60 HG2 ARG 8 HG2 ARG 8 -13.412 -18.194 -17.265 61 HG3 ARG 8 HG1 ARG 8 -13.440 -19.511 -18.442 62 HD2 ARG 8 HD2 ARG 8 -15.680 -18.525 -16.687 63 HD3 ARG 8 HD1 ARG 8 -15.607 -18.537 -18.448 64 HE ARG 8 HE ARG 8 -16.509 -20.640 -16.766 65 HH11 ARG 8 HH11 ARG 8 -14.774 -20.042 -19.741 66 HH12 ARG 8 HH12 ARG 8 -15.166 -21.582 -20.435 67 HH21 ARG 8 HH21 ARG 8 -17.062 -22.653 -17.682 68 HH22 ARG 8 HH22 ARG 8 -16.451 -23.073 -19.254 69 H ASP 9 HN ASP 9 -9.910 -19.192 -15.008 70 HA ASP 9 HA ASP 9 -8.635 -19.541 -17.612 71 HB2 ASP 9 HB2 ASP 9 -6.785 -18.226 -16.635 72 HB3 ASP 9 HB1 ASP 9 -8.324 -17.385 -16.529 73 H GLY 10 HN GLY 10 -9.313 -21.880 -16.522 74 HA2 GLY 10 HA2 GLY 10 -7.887 -23.862 -16.579 75 HA3 GLY 10 HA1 GLY 10 -6.739 -22.977 -15.578 76 H GLN 11 HN GLN 11 -9.723 -22.125 -14.617 77 HA GLN 11 HA GLN 11 -10.116 -24.259 -12.713 78 HB2 GLN 11 HB2 GLN 11 -9.681 -21.354 -12.120 79 HB3 GLN 11 HB1 GLN 11 -10.743 -22.296 -11.099 80 HG2 GLN 11 HG2 GLN 11 -8.834 -22.598 -9.944 81 HG3 GLN 11 HG1 GLN 11 -8.641 -23.922 -11.084 82 HE21 GLN 11 HE21 GLN 11 -8.323 -21.093 -12.750 83 HE22 GLN 11 HE22 GLN 11 -6.603 -20.943 -12.718 84 H ALA 12 HN ALA 12 -11.996 -24.953 -13.148 85 HA ALA 12 HA ALA 12 -14.030 -23.415 -14.485 86 HB1 ALA 12 HB1 ALA 12 -13.772 -25.655 -15.203 87 HB2 ALA 12 HB2 ALA 12 -15.283 -25.611 -14.293 88 HB3 ALA 12 HB3 ALA 12 -13.827 -26.268 -13.549 89 H TYR 13 HN TYR 13 -15.210 -22.009 -13.234 90 HA TYR 13 HA TYR 13 -15.854 -22.876 -10.519 91 HB2 TYR 13 HB2 TYR 13 -15.969 -20.165 -11.823 92 HB3 TYR 13 HB1 TYR 13 -16.867 -20.507 -10.358 93 HD1 TYR 13 HD2 TYR 13 -13.817 -22.371 -10.583 94 HD2 TYR 13 HD1 TYR 13 -15.467 -18.625 -9.456 95 HE1 TYR 13 HE2 TYR 13 -11.832 -21.913 -9.221 96 HE2 TYR 13 HE1 TYR 13 -13.490 -18.154 -8.091 97 HH TYR 13 HH TYR 13 -10.823 -19.151 -8.310 98 H VAL 14 HN VAL 14 -17.783 -23.316 -9.781 99 HA VAL 14 HA VAL 14 -19.963 -23.491 -11.723 100 HB VAL 14 HB VAL 14 -19.459 -25.581 -10.642 101 HG11 VAL 14 HG11 VAL 14 -18.421 -25.147 -8.625 102 HG12 VAL 14 HG12 VAL 14 -20.001 -25.743 -8.111 103 HG13 VAL 14 HG13 VAL 14 -19.671 -24.007 -8.121 104 HG21 VAL 14 HG21 VAL 14 -21.823 -25.062 -11.128 105 HG22 VAL 14 HG22 VAL 14 -22.011 -24.548 -9.451 106 HG23 VAL 14 HG23 VAL 14 -21.605 -26.224 -9.820 107 H ARG 15 HN ARG 15 -22.076 -22.887 -11.002 108 HA ARG 15 HA ARG 15 -22.006 -20.338 -9.640 109 HB2 ARG 15 HB2 ARG 15 -24.352 -21.779 -10.878 110 HB3 ARG 15 HB1 ARG 15 -24.343 -20.115 -10.322 111 HG2 ARG 15 HG2 ARG 15 -22.619 -19.596 -12.018 112 HG3 ARG 15 HG1 ARG 15 -22.754 -21.254 -12.617 113 HD2 ARG 15 HD2 ARG 15 -24.909 -19.147 -12.555 114 HD3 ARG 15 HD1 ARG 15 -24.132 -19.841 -13.981 115 HE ARG 15 HE ARG 15 -25.188 -22.001 -12.709 116 HH11 ARG 15 HH11 ARG 15 -26.515 -18.948 -13.787 117 HH12 ARG 15 HH12 ARG 15 -28.094 -19.602 -14.103 118 HH21 ARG 15 HH21 ARG 15 -27.251 -22.860 -13.128 119 HH22 ARG 15 HH22 ARG 15 -28.511 -21.832 -13.731 120 H LYS 16 HN LYS 16 -22.453 -19.962 -7.644 121 HA LYS 16 HA LYS 16 -24.213 -21.804 -6.171 122 HB2 LYS 16 HB2 LYS 16 -21.775 -20.321 -5.187 123 HB3 LYS 16 HB1 LYS 16 -23.008 -20.927 -4.091 124 HG2 LYS 16 HG2 LYS 16 -21.243 -22.529 -5.918 125 HG3 LYS 16 HG1 LYS 16 -21.213 -22.492 -4.155 126 HD2 LYS 16 HD2 LYS 16 -23.613 -23.363 -4.257 127 HD3 LYS 16 HD1 LYS 16 -23.306 -23.682 -5.965 128 HE2 LYS 16 HE2 LYS 16 -22.905 -25.701 -4.685 129 HE3 LYS 16 HE1 LYS 16 -21.383 -25.097 -5.329 130 HZ1 LYS 16 HZ1 LYS 16 -20.778 -24.247 -3.206 131 HZ2 LYS 16 HZ2 LYS 16 -21.302 -25.849 -2.966 132 HZ3 LYS 16 HZ3 LYS 16 -22.324 -24.560 -2.556 133 H ASP 17 HN ASP 17 -25.086 -20.363 -4.122 134 HA ASP 17 HA ASP 17 -26.564 -18.322 -5.428 135 HB2 ASP 17 HB2 ASP 17 -26.378 -17.995 -2.556 136 HB3 ASP 17 HB1 ASP 17 -27.784 -18.106 -3.590 137 H GLY 18 HN GLY 18 -25.499 -16.818 -6.218 138 HA2 GLY 18 HA2 GLY 18 -24.342 -14.879 -6.515 139 HA3 GLY 18 HA1 GLY 18 -24.516 -14.640 -4.797 140 H GLU 19 HN GLU 19 -22.900 -17.546 -5.547 141 HA GLU 19 HA GLU 19 -20.290 -16.226 -5.099 142 HB2 GLU 19 HB2 GLU 19 -21.335 -18.802 -3.923 143 HB3 GLU 19 HB1 GLU 19 -19.661 -18.294 -3.798 144 HG2 GLU 19 HG2 GLU 19 -21.919 -16.592 -2.824 145 HG3 GLU 19 HG1 GLU 19 -21.162 -17.833 -1.825 146 H TRP 20 HN TRP 20 -18.442 -17.075 -6.003 147 HA TRP 20 HA TRP 20 -18.827 -19.122 -8.100 148 HB2 TRP 20 HB2 TRP 20 -16.977 -16.741 -8.017 149 HB3 TRP 20 HB1 TRP 20 -16.571 -18.149 -8.969 150 HD1 TRP 20 HD1 TRP 20 -18.069 -14.908 -9.464 151 HE1 TRP 20 HE1 TRP 20 -19.576 -14.892 -11.563 152 HE3 TRP 20 HE3 TRP 20 -18.562 -19.935 -10.151 153 HZ2 TRP 20 HZ2 TRP 20 -20.806 -16.772 -13.278 154 HZ3 TRP 20 HZ3 TRP 20 -19.911 -20.757 -12.019 155 HH2 TRP 20 HH2 TRP 20 -21.018 -19.204 -13.563 156 H VAL 21 HN VAL 21 -17.789 -20.889 -7.962 157 HA VAL 21 HA VAL 21 -15.587 -21.171 -6.036 158 HB VAL 21 HB VAL 21 -17.064 -23.467 -5.840 159 HG11 VAL 21 HG11 VAL 21 -16.796 -21.063 -4.115 160 HG12 VAL 21 HG12 VAL 21 -16.118 -22.678 -3.885 161 HG13 VAL 21 HG13 VAL 21 -17.842 -22.399 -3.624 162 HG21 VAL 21 HG21 VAL 21 -19.079 -21.372 -5.399 163 HG22 VAL 21 HG22 VAL 21 -19.284 -23.080 -5.798 164 HG23 VAL 21 HG23 VAL 21 -18.795 -21.930 -7.046 165 H LEU 22 HN LEU 22 -14.235 -23.016 -6.441 166 HA LEU 22 HA LEU 22 -14.144 -23.758 -9.206 167 HB2 LEU 22 HB2 LEU 22 -12.121 -23.386 -7.704 168 HB3 LEU 22 HB1 LEU 22 -12.494 -24.945 -6.985 169 HG LEU 22 HG LEU 22 -12.131 -26.075 -9.051 170 HD11 LEU 22 HD11 LEU 22 -12.886 -24.924 -10.806 171 HD12 LEU 22 HD12 LEU 22 -11.187 -24.469 -10.936 172 HD13 LEU 22 HD13 LEU 22 -12.332 -23.375 -10.161 173 HD21 LEU 22 HD21 LEU 22 -10.108 -25.502 -7.749 174 HD22 LEU 22 HD22 LEU 22 -9.940 -24.042 -8.725 175 HD23 LEU 22 HD23 LEU 22 -9.804 -25.625 -9.481 176 H LEU 23 HN LEU 23 -14.638 -25.750 -10.122 177 HA LEU 23 HA LEU 23 -16.136 -27.500 -8.287 178 HB2 LEU 23 HB2 LEU 23 -17.694 -27.901 -9.930 179 HB3 LEU 23 HB1 LEU 23 -17.225 -26.245 -10.261 180 HG LEU 23 HG LEU 23 -15.477 -27.488 -11.830 181 HD11 LEU 23 HD11 LEU 23 -16.946 -29.617 -11.046 182 HD12 LEU 23 HD12 LEU 23 -16.035 -29.520 -12.555 183 HD13 LEU 23 HD13 LEU 23 -17.763 -29.157 -12.544 184 HD21 LEU 23 HD21 LEU 23 -17.105 -25.692 -12.404 185 HD22 LEU 23 HD22 LEU 23 -18.318 -26.950 -12.653 186 HD23 LEU 23 HD23 LEU 23 -16.879 -26.898 -13.671 187 H SER 24 HN SER 24 -13.681 -27.348 -10.698 188 HA SER 24 HA SER 24 -13.365 -29.912 -11.602 189 HB2 SER 24 HB2 SER 24 -10.847 -29.383 -11.491 190 HB3 SER 24 HB1 SER 24 -11.869 -28.308 -12.438 191 HG SER 24 HG SER 24 -10.297 -27.352 -10.878 192 H THR 25 HN THR 25 -12.203 -28.524 -8.676 193 HA THR 25 HA THR 25 -10.752 -30.577 -7.583 194 HB THR 25 HB THR 25 -11.320 -29.441 -5.404 195 HG1 THR 25 HG1 THR 25 -12.800 -27.896 -5.383 196 HG21 THR 25 HG21 THR 25 -10.147 -27.452 -5.864 197 HG22 THR 25 HG22 THR 25 -10.658 -27.457 -7.551 198 HG23 THR 25 HG23 THR 25 -9.503 -28.657 -6.976 199 H PHE 26 HN PHE 26 -14.187 -30.095 -7.590 200 HA PHE 26 HA PHE 26 -14.990 -31.809 -5.549 201 HB2 PHE 26 HB2 PHE 26 -16.397 -31.046 -8.106 202 HB3 PHE 26 HB1 PHE 26 -17.162 -31.966 -6.821 203 HD1 PHE 26 HD2 PHE 26 -14.963 -29.769 -5.267 204 HD2 PHE 26 HD1 PHE 26 -18.703 -29.808 -7.299 205 HE1 PHE 26 HE2 PHE 26 -15.608 -27.712 -4.110 206 HE2 PHE 26 HE1 PHE 26 -19.351 -27.745 -6.145 207 HZ PHE 26 HZ PHE 26 -17.795 -26.683 -4.545 208 H LEU 27 HN LEU 27 -14.132 -32.595 -8.882 209 HA LEU 27 HA LEU 27 -14.573 -35.425 -8.191 210 HB2 LEU 27 HB2 LEU 27 -16.120 -34.590 -9.946 211 HB3 LEU 27 HB1 LEU 27 -14.732 -34.194 -10.942 212 HG LEU 27 HG LEU 27 -14.118 -36.589 -10.997 213 HD11 LEU 27 HD11 LEU 27 -15.102 -37.308 -8.907 214 HD12 LEU 27 HD12 LEU 27 -15.752 -38.253 -10.241 215 HD13 LEU 27 HD13 LEU 27 -16.718 -36.969 -9.520 216 HD21 LEU 27 HD21 LEU 27 -16.969 -36.201 -11.873 217 HD22 LEU 27 HD22 LEU 27 -15.734 -37.226 -12.605 218 HD23 LEU 27 HD23 LEU 27 -15.593 -35.472 -12.703 Start of MODEL 10 1 H GLY 1 H GLY 1 -27.806 -7.056 -6.393 2 HA2 GLY 1 HA1 GLY 1 -25.675 -6.579 -6.618 3 HA3 GLY 1 HA2 GLY 1 -25.362 -8.152 -5.894 4 H TYR 2 HN TYR 2 -23.910 -6.572 -7.968 5 HA TYR 2 HA TYR 2 -24.200 -8.181 -10.365 6 HB2 TYR 2 HB2 TYR 2 -23.709 -5.750 -10.516 7 HB3 TYR 2 HB1 TYR 2 -22.169 -6.025 -9.712 8 HD1 TYR 2 HD1 TYR 2 -20.505 -7.627 -10.914 9 HD2 TYR 2 HD2 TYR 2 -23.848 -5.820 -12.826 10 HE1 TYR 2 HE1 TYR 2 -19.440 -7.980 -13.097 11 HE2 TYR 2 HE2 TYR 2 -22.792 -6.173 -15.015 12 HH TYR 2 HH TYR 2 -20.915 -7.963 -15.900 13 H ILE 3 HN ILE 3 -23.206 -10.054 -10.640 14 HA ILE 3 HA ILE 3 -21.031 -10.818 -8.853 15 HB ILE 3 HB ILE 3 -22.245 -12.580 -10.973 16 HG12 ILE 3 HG12 ILE 3 -23.338 -11.825 -8.272 17 HG13 ILE 3 HG11 ILE 3 -24.176 -11.888 -9.815 18 HG21 ILE 3 HG21 ILE 3 -21.280 -13.441 -8.272 19 HG22 ILE 3 HG22 ILE 3 -20.117 -13.105 -9.554 20 HG23 ILE 3 HG23 ILE 3 -21.344 -14.356 -9.778 21 HD11 ILE 3 HD11 ILE 3 -23.101 -14.379 -8.566 22 HD12 ILE 3 HD12 ILE 3 -24.388 -14.196 -9.758 23 HD13 ILE 3 HD13 ILE 3 -24.661 -13.711 -8.083 24 HA PRO 4 HA PRO 4 -18.088 -9.716 -12.009 25 HB2 PRO 4 HB2 PRO 4 -15.897 -10.877 -10.869 26 HB3 PRO 4 HB1 PRO 4 -16.558 -9.328 -10.338 27 HG2 PRO 4 HG2 PRO 4 -16.947 -12.057 -9.159 28 HG3 PRO 4 HG1 PRO 4 -16.656 -10.514 -8.334 29 HD2 PRO 4 HD2 PRO 4 -19.118 -11.596 -8.511 30 HD3 PRO 4 HD1 PRO 4 -18.860 -9.848 -8.541 31 H ARG 5 HN ARG 5 -16.866 -10.751 -13.677 32 HA ARG 5 HA ARG 5 -17.822 -13.355 -14.370 33 HB2 ARG 5 HB2 ARG 5 -17.219 -11.594 -16.039 34 HB3 ARG 5 HB1 ARG 5 -15.530 -11.827 -15.605 35 HG2 ARG 5 HG2 ARG 5 -15.885 -14.275 -16.250 36 HG3 ARG 5 HG1 ARG 5 -17.380 -13.721 -17.013 37 HD2 ARG 5 HD2 ARG 5 -15.583 -13.806 -18.647 38 HD3 ARG 5 HD1 ARG 5 -16.080 -12.136 -18.378 39 HE ARG 5 HE ARG 5 -13.551 -13.374 -17.570 40 HH11 ARG 5 HH11 ARG 5 -15.567 -10.517 -17.703 41 HH12 ARG 5 HH12 ARG 5 -14.312 -9.446 -17.142 42 HH21 ARG 5 HH21 ARG 5 -11.897 -11.978 -16.851 43 HH22 ARG 5 HH22 ARG 5 -12.223 -10.279 -16.674 44 H ALA 6 HN ALA 6 -17.087 -15.199 -13.600 45 HA ALA 6 HA ALA 6 -14.877 -15.432 -11.892 46 HB1 ALA 6 HB1 ALA 6 -16.890 -16.966 -12.040 47 HB2 ALA 6 HB2 ALA 6 -15.321 -17.738 -11.814 48 HB3 ALA 6 HB3 ALA 6 -16.077 -17.729 -13.406 49 HA PRO 7 HA PRO 7 -11.586 -15.988 -14.854 50 HB2 PRO 7 HB2 PRO 7 -9.612 -16.512 -13.114 51 HB3 PRO 7 HB1 PRO 7 -10.323 -14.897 -13.235 52 HG2 PRO 7 HG2 PRO 7 -10.787 -17.022 -11.190 53 HG3 PRO 7 HG1 PRO 7 -10.676 -15.267 -10.977 54 HD2 PRO 7 HD2 PRO 7 -13.038 -16.706 -11.114 55 HD3 PRO 7 HD1 PRO 7 -12.889 -14.964 -11.411 56 H ARG 8 HN ARG 8 -13.267 -18.053 -14.923 57 HA ARG 8 HA ARG 8 -11.991 -20.475 -14.047 58 HB2 ARG 8 HB2 ARG 8 -14.010 -21.516 -15.092 59 HB3 ARG 8 HB1 ARG 8 -14.253 -20.425 -13.748 60 HG2 ARG 8 HG2 ARG 8 -14.883 -18.635 -15.317 61 HG3 ARG 8 HG1 ARG 8 -14.711 -19.788 -16.644 62 HD2 ARG 8 HD2 ARG 8 -16.462 -21.178 -15.699 63 HD3 ARG 8 HD1 ARG 8 -16.602 -20.095 -14.314 64 HE ARG 8 HE ARG 8 -17.000 -18.556 -16.606 65 HH11 ARG 8 HH11 ARG 8 -18.528 -21.234 -14.981 66 HH12 ARG 8 HH12 ARG 8 -20.135 -20.815 -15.489 67 HH21 ARG 8 HH21 ARG 8 -19.107 -17.962 -17.268 68 HH22 ARG 8 HH22 ARG 8 -20.467 -18.932 -16.787 69 H ASP 9 HN ASP 9 -10.222 -19.797 -15.423 70 HA ASP 9 HA ASP 9 -10.494 -20.722 -18.174 71 HB2 ASP 9 HB2 ASP 9 -8.356 -19.653 -18.626 72 HB3 ASP 9 HB1 ASP 9 -9.434 -18.521 -17.818 73 H GLY 10 HN GLY 10 -8.420 -21.166 -15.338 74 HA2 GLY 10 HA2 GLY 10 -7.785 -23.872 -16.357 75 HA3 GLY 10 HA1 GLY 10 -6.667 -22.910 -15.390 76 H GLN 11 HN GLN 11 -9.833 -22.468 -14.466 77 HA GLN 11 HA GLN 11 -10.009 -24.633 -12.599 78 HB2 GLN 11 HB2 GLN 11 -10.400 -22.833 -10.782 79 HB3 GLN 11 HB1 GLN 11 -8.754 -23.290 -11.175 80 HG2 GLN 11 HG2 GLN 11 -8.726 -21.302 -12.721 81 HG3 GLN 11 HG1 GLN 11 -10.246 -20.814 -11.975 82 HE21 GLN 11 HE21 GLN 11 -7.056 -20.260 -11.907 83 HE22 GLN 11 HE22 GLN 11 -6.868 -19.767 -10.262 84 H ALA 12 HN ALA 12 -11.937 -25.247 -13.168 85 HA ALA 12 HA ALA 12 -14.013 -23.699 -14.260 86 HB1 ALA 12 HB1 ALA 12 -14.277 -25.894 -14.795 87 HB2 ALA 12 HB2 ALA 12 -15.318 -25.858 -13.371 88 HB3 ALA 12 HB3 ALA 12 -13.665 -26.455 -13.241 89 H TYR 13 HN TYR 13 -15.477 -22.360 -13.250 90 HA TYR 13 HA TYR 13 -15.763 -22.795 -10.361 91 HB2 TYR 13 HB2 TYR 13 -15.658 -20.222 -11.892 92 HB3 TYR 13 HB1 TYR 13 -16.583 -20.309 -10.408 93 HD1 TYR 13 HD1 TYR 13 -13.415 -22.122 -11.093 94 HD2 TYR 13 HD2 TYR 13 -15.297 -18.936 -9.021 95 HE1 TYR 13 HE1 TYR 13 -11.377 -21.780 -9.774 96 HE2 TYR 13 HE2 TYR 13 -13.270 -18.584 -7.694 97 HH TYR 13 HH TYR 13 -10.284 -20.011 -8.494 98 H VAL 14 HN VAL 14 -17.619 -23.271 -9.527 99 HA VAL 14 HA VAL 14 -19.984 -23.375 -11.233 100 HB VAL 14 HB VAL 14 -19.513 -25.390 -10.028 101 HG11 VAL 14 HG11 VAL 14 -18.209 -24.902 -8.198 102 HG12 VAL 14 HG12 VAL 14 -19.755 -25.286 -7.442 103 HG13 VAL 14 HG13 VAL 14 -19.281 -23.605 -7.669 104 HG21 VAL 14 HG21 VAL 14 -21.891 -24.779 -10.265 105 HG22 VAL 14 HG22 VAL 14 -21.831 -24.108 -8.635 106 HG23 VAL 14 HG23 VAL 14 -21.562 -25.832 -8.888 107 H ARG 15 HN ARG 15 -22.065 -22.652 -10.261 108 HA ARG 15 HA ARG 15 -21.622 -20.004 -9.142 109 HB2 ARG 15 HB2 ARG 15 -24.138 -21.242 -10.232 110 HB3 ARG 15 HB1 ARG 15 -23.978 -19.574 -9.704 111 HG2 ARG 15 HG2 ARG 15 -22.069 -19.459 -11.457 112 HG3 ARG 15 HG1 ARG 15 -22.832 -20.910 -12.118 113 HD2 ARG 15 HD2 ARG 15 -24.123 -18.218 -11.690 114 HD3 ARG 15 HD1 ARG 15 -23.702 -18.955 -13.235 115 HE ARG 15 HE ARG 15 -25.396 -20.743 -12.015 116 HH11 ARG 15 HH11 ARG 15 -25.537 -17.402 -13.052 117 HH12 ARG 15 HH12 ARG 15 -27.246 -17.427 -13.334 118 HH21 ARG 15 HH21 ARG 15 -27.656 -20.761 -12.368 119 HH22 ARG 15 HH22 ARG 15 -28.450 -19.320 -12.910 120 H LYS 16 HN LYS 16 -21.890 -19.458 -7.145 121 HA LYS 16 HA LYS 16 -23.642 -21.044 -5.380 122 HB2 LYS 16 HB2 LYS 16 -21.187 -19.371 -4.826 123 HB3 LYS 16 HB1 LYS 16 -22.371 -19.652 -3.557 124 HG2 LYS 16 HG2 LYS 16 -21.040 -21.879 -5.067 125 HG3 LYS 16 HG1 LYS 16 -20.372 -21.184 -3.590 126 HD2 LYS 16 HD2 LYS 16 -22.453 -21.756 -2.404 127 HD3 LYS 16 HD1 LYS 16 -23.073 -22.493 -3.883 128 HE2 LYS 16 HE2 LYS 16 -22.166 -24.184 -2.368 129 HE3 LYS 16 HE1 LYS 16 -21.238 -24.102 -3.865 130 HZ1 LYS 16 HZ1 LYS 16 -20.071 -22.345 -2.003 131 HZ2 LYS 16 HZ2 LYS 16 -19.415 -23.759 -2.670 132 HZ3 LYS 16 HZ3 LYS 16 -20.305 -23.838 -1.232 133 H ASP 17 HN ASP 17 -24.789 -19.485 -3.724 134 HA ASP 17 HA ASP 17 -26.456 -17.824 -5.053 135 HB2 ASP 17 HB2 ASP 17 -25.713 -17.971 -2.192 136 HB3 ASP 17 HB1 ASP 17 -26.645 -16.574 -2.726 137 H GLY 18 HN GLY 18 -23.361 -17.016 -4.037 138 HA2 GLY 18 HA2 GLY 18 -23.276 -14.769 -5.718 139 HA3 GLY 18 HA1 GLY 18 -23.239 -14.292 -4.031 140 H GLU 19 HN GLU 19 -21.821 -17.332 -4.942 141 HA GLU 19 HA GLU 19 -19.159 -16.090 -4.732 142 HB2 GLU 19 HB2 GLU 19 -20.161 -18.586 -3.397 143 HB3 GLU 19 HB1 GLU 19 -18.456 -18.194 -3.516 144 HG2 GLU 19 HG2 GLU 19 -20.490 -16.403 -2.226 145 HG3 GLU 19 HG1 GLU 19 -19.539 -17.603 -1.352 146 H TRP 20 HN TRP 20 -17.473 -16.980 -5.867 147 HA TRP 20 HA TRP 20 -18.228 -18.968 -7.904 148 HB2 TRP 20 HB2 TRP 20 -16.174 -16.750 -7.959 149 HB3 TRP 20 HB1 TRP 20 -16.022 -18.136 -9.008 150 HD1 TRP 20 HD1 TRP 20 -17.319 -14.738 -9.178 151 HE1 TRP 20 HE1 TRP 20 -19.019 -14.524 -11.107 152 HE3 TRP 20 HE3 TRP 20 -18.235 -19.686 -10.025 153 HZ2 TRP 20 HZ2 TRP 20 -20.548 -16.230 -12.757 154 HZ3 TRP 20 HZ3 TRP 20 -19.808 -20.323 -11.779 155 HH2 TRP 20 HH2 TRP 20 -20.951 -18.622 -13.132 156 H VAL 21 HN VAL 21 -17.396 -20.860 -7.811 157 HA VAL 21 HA VAL 21 -15.121 -21.354 -5.997 158 HB VAL 21 HB VAL 21 -16.821 -23.544 -5.898 159 HG11 VAL 21 HG11 VAL 21 -17.317 -22.673 -3.577 160 HG12 VAL 21 HG12 VAL 21 -16.338 -21.272 -4.009 161 HG13 VAL 21 HG13 VAL 21 -15.609 -22.876 -3.984 162 HG21 VAL 21 HG21 VAL 21 -18.503 -21.168 -5.313 163 HG22 VAL 21 HG22 VAL 21 -18.989 -22.840 -5.591 164 HG23 VAL 21 HG23 VAL 21 -18.445 -21.842 -6.941 165 H LEU 22 HN LEU 22 -13.801 -23.114 -6.486 166 HA LEU 22 HA LEU 22 -13.719 -23.929 -9.221 167 HB2 LEU 22 HB2 LEU 22 -11.873 -23.631 -7.267 168 HB3 LEU 22 HB1 LEU 22 -12.156 -25.346 -7.151 169 HG LEU 22 HG LEU 22 -10.892 -23.778 -9.353 170 HD11 LEU 22 HD11 LEU 22 -9.168 -24.783 -8.373 171 HD12 LEU 22 HD12 LEU 22 -9.711 -26.218 -9.243 172 HD13 LEU 22 HD13 LEU 22 -10.195 -25.971 -7.566 173 HD21 LEU 22 HD21 LEU 22 -12.024 -26.516 -9.799 174 HD22 LEU 22 HD22 LEU 22 -11.193 -25.485 -10.964 175 HD23 LEU 22 HD23 LEU 22 -12.790 -25.030 -10.362 176 H LEU 23 HN LEU 23 -14.391 -25.918 -10.061 177 HA LEU 23 HA LEU 23 -15.721 -27.675 -8.102 178 HB2 LEU 23 HB2 LEU 23 -17.564 -27.911 -9.487 179 HB3 LEU 23 HB1 LEU 23 -17.119 -26.226 -9.662 180 HG LEU 23 HG LEU 23 -15.701 -27.278 -11.678 181 HD11 LEU 23 HD11 LEU 23 -18.130 -28.999 -11.335 182 HD12 LEU 23 HD12 LEU 23 -16.449 -29.494 -11.552 183 HD13 LEU 23 HD13 LEU 23 -17.333 -28.767 -12.894 184 HD21 LEU 23 HD21 LEU 23 -18.286 -26.780 -12.714 185 HD22 LEU 23 HD22 LEU 23 -16.889 -25.704 -12.686 186 HD23 LEU 23 HD23 LEU 23 -18.035 -25.698 -11.346 187 H SER 24 HN SER 24 -13.779 -27.497 -10.984 188 HA SER 24 HA SER 24 -13.853 -29.988 -12.082 189 HB2 SER 24 HB2 SER 24 -11.390 -29.736 -12.557 190 HB3 SER 24 HB1 SER 24 -12.392 -28.376 -13.047 191 HG SER 24 HG SER 24 -10.281 -28.299 -11.512 192 H THR 25 HN THR 25 -12.060 -28.994 -9.337 193 HA THR 25 HA THR 25 -10.669 -31.306 -8.798 194 HB THR 25 HB THR 25 -10.641 -30.332 -6.442 195 HG1 THR 25 HG1 THR 25 -12.011 -28.815 -6.042 196 HG21 THR 25 HG21 THR 25 -8.891 -29.806 -8.026 197 HG22 THR 25 HG22 THR 25 -9.329 -28.374 -7.093 198 HG23 THR 25 HG23 THR 25 -9.904 -28.557 -8.749 199 H PHE 26 HN PHE 26 -13.946 -30.478 -8.074 200 HA PHE 26 HA PHE 26 -14.495 -32.402 -6.069 201 HB2 PHE 26 HB2 PHE 26 -16.382 -31.104 -8.049 202 HB3 PHE 26 HB1 PHE 26 -16.879 -32.007 -6.629 203 HD1 PHE 26 HD2 PHE 26 -14.136 -30.413 -5.433 204 HD2 PHE 26 HD1 PHE 26 -18.032 -29.499 -6.874 205 HE1 PHE 26 HE2 PHE 26 -14.139 -28.342 -4.107 206 HE2 PHE 26 HE1 PHE 26 -18.041 -27.430 -5.555 207 HZ PHE 26 HZ PHE 26 -16.093 -26.850 -4.166 208 H LEU 27 HN LEU 27 -13.961 -32.754 -9.418 209 HA LEU 27 HA LEU 27 -15.648 -35.081 -9.743 210 HB2 LEU 27 HB2 LEU 27 -13.770 -33.570 -11.514 211 HB3 LEU 27 HB1 LEU 27 -14.265 -35.192 -11.964 212 HG LEU 27 HG LEU 27 -16.645 -34.421 -11.861 213 HD11 LEU 27 HD11 LEU 27 -15.316 -31.953 -10.989 214 HD12 LEU 27 HD12 LEU 27 -16.947 -32.540 -10.675 215 HD13 LEU 27 HD13 LEU 27 -16.575 -31.747 -12.206 216 HD21 LEU 27 HD21 LEU 27 -14.607 -33.619 -13.789 217 HD22 LEU 27 HD22 LEU 27 -16.095 -32.673 -13.872 218 HD23 LEU 27 HD23 LEU 27 -16.153 -34.428 -14.037
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