NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2944 | 1cw6 | 4507 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 1 HA LYS 1 -6.596 -6.052 6.497 2 1HB LYS 1 2HB LYS 1 -7.547 -7.062 4.506 3 2HB LYS 1 1HB LYS 1 -8.816 -6.815 5.696 4 1HG LYS 1 2HG LYS 1 -9.421 -4.716 4.463 5 2HG LYS 1 1HG LYS 1 -8.291 -5.218 3.204 6 1HD LYS 1 2HD LYS 1 -10.335 -6.009 2.429 7 2HD LYS 1 1HD LYS 1 -9.619 -7.426 3.198 8 1HE LYS 1 2HE LYS 1 -10.918 -6.563 5.302 9 2HE LYS 1 1HE LYS 1 -11.891 -5.711 4.103 10 1HZ LYS 1 1HZ LYS 1 -12.709 -7.649 3.250 11 2HZ LYS 1 2HZ LYS 1 -12.521 -8.107 4.868 12 3HZ LYS 1 3HZ LYS 1 -11.370 -8.572 3.719 13 H TYR 2 H TYR 2 -4.633 -5.250 5.923 14 HA TYR 2 HA TYR 2 -4.392 -3.052 4.090 15 1HB TYR 2 2HB TYR 2 -2.853 -4.014 6.132 16 2HB TYR 2 1HB TYR 2 -1.950 -4.533 4.711 17 HD1 TYR 2 1HD TYR 2 -0.665 -2.965 3.488 18 HD2 TYR 2 2HD TYR 2 -3.496 -1.654 6.335 19 HE1 TYR 2 1HE TYR 2 0.215 -0.698 3.287 20 HE2 TYR 2 2HE TYR 2 -2.618 0.631 6.172 21 HH TYR 2 HH TYR 2 0.320 1.346 4.598 22 H TYR 3 H TYR 3 -3.691 -3.135 1.981 23 HA TYR 3 HA TYR 3 -3.410 -5.835 0.814 24 1HB TYR 3 2HB TYR 3 -4.622 -3.299 -0.209 25 2HB TYR 3 1HB TYR 3 -3.915 -4.423 -1.366 26 HD1 TYR 3 1HD TYR 3 -6.799 -3.654 0.599 27 HD2 TYR 3 2HD TYR 3 -4.728 -6.847 -1.299 28 HE1 TYR 3 1HE TYR 3 -8.855 -5.002 0.642 29 HE2 TYR 3 2HE TYR 3 -6.776 -8.206 -1.258 30 HH TYR 3 HH TYR 3 -9.603 -7.278 -1.068 31 H GLY 4 H GLY 4 -1.234 -4.637 2.077 32 1HA GLY 4 2HA GLY 4 0.940 -3.964 1.766 33 2HA GLY 4 1HA GLY 4 0.852 -5.000 0.348 34 H ASN 5 H ASN 5 -1.265 -2.277 0.403 35 HA ASN 5 HA ASN 5 0.604 -0.572 -1.051 36 1HB ASN 5 2HB ASN 5 -1.580 -2.101 -2.281 37 2HB ASN 5 1HB ASN 5 -1.662 -0.378 -2.627 38 1HD2 ASN 5 1HD2 ASN 5 -1.135 -0.547 -4.759 39 2HD2 ASN 5 2HD2 ASN 5 0.432 -1.021 -5.313 40 H GLY 6 H GLY 6 -0.190 0.026 1.429 41 1HA GLY 6 2HA GLY 6 -1.429 1.475 2.741 42 2HA GLY 6 1HA GLY 6 -1.223 2.540 1.372 43 H VAL 7 H VAL 7 -3.091 -0.438 1.577 44 HA VAL 7 HA VAL 7 -5.561 1.138 1.276 45 HB VAL 7 HB VAL 7 -4.742 -1.231 -0.404 46 1HG1 VAL 7 1HG1 VAL 7 -6.928 -1.770 0.260 47 2HG1 VAL 7 2HG1 VAL 7 -7.120 -0.972 -1.304 48 3HG1 VAL 7 3HG1 VAL 7 -7.442 -0.085 0.191 49 1HG2 VAL 7 1HG2 VAL 7 -6.086 1.115 -1.558 50 2HG2 VAL 7 2HG2 VAL 7 -4.696 0.197 -2.149 51 3HG2 VAL 7 3HG2 VAL 7 -4.477 1.422 -0.900 52 H HIS 8 H HIS 8 -6.725 0.737 2.983 53 HA HIS 8 HA HIS 8 -6.925 -2.035 3.907 54 1HB HIS 8 2HB HIS 8 -7.445 -0.367 6.119 55 2HB HIS 8 1HB HIS 8 -6.086 -1.462 5.897 56 HD1 HIS 8 1HD HIS 8 -6.423 1.653 7.104 57 HD2 HIS 8 2HD HIS 8 -4.262 0.244 3.844 58 HE1 HIS 8 1HE HIS 8 -4.646 3.372 6.684 59 HE2 HIS 8 2HE HIS 8 -3.327 2.490 4.728 60 H CYS 9 H CYS 9 -8.904 -2.684 4.685 61 HA CYS 9 HA CYS 9 -11.086 -0.880 3.976 62 1HB CYS 9 2HB CYS 9 -11.335 -3.860 4.231 63 2HB CYS 9 1HB CYS 9 -12.421 -2.736 3.425 64 H THR 10 H THR 10 -11.479 0.157 5.817 65 HA THR 10 HA THR 10 -11.773 -1.381 8.290 66 HB THR 10 HB THR 10 -11.734 0.771 9.434 67 HG1 THR 10 1HG THR 10 -11.955 1.749 6.824 68 1HG2 THR 10 1HG2 THR 10 -9.561 -0.340 8.485 69 2HG2 THR 10 2HG2 THR 10 -9.518 1.256 9.235 70 3HG2 THR 10 3HG2 THR 10 -9.527 1.109 7.477 71 H LYS 11 H LYS 11 -13.544 -0.968 9.699 72 HA LYS 11 HA LYS 11 -15.800 -1.298 9.997 73 1HB LYS 11 2HB LYS 11 -16.947 0.785 10.004 74 2HB LYS 11 1HB LYS 11 -15.260 1.106 10.389 75 1HG LYS 11 2HG LYS 11 -14.842 2.078 8.325 76 2HG LYS 11 1HG LYS 11 -16.264 1.348 7.585 77 1HD LYS 11 2HD LYS 11 -17.059 2.977 9.810 78 2HD LYS 11 1HD LYS 11 -16.018 3.914 8.738 79 1HE LYS 11 2HE LYS 11 -17.835 4.269 7.498 80 2HE LYS 11 1HE LYS 11 -17.704 2.581 7.004 81 1HZ LYS 11 1HZ LYS 11 -19.070 2.089 9.067 82 2HZ LYS 11 2HZ LYS 11 -19.878 2.824 7.777 83 3HZ LYS 11 3HZ LYS 11 -19.414 3.745 9.117 84 H SER 12 H SER 12 -14.974 -2.371 7.487 85 HA SER 12 HA SER 12 -15.959 -3.425 5.729 86 1HB SER 12 2HB SER 12 -18.252 -3.675 5.631 87 2HB SER 12 1HB SER 12 -18.053 -3.186 7.312 88 HG SER 12 HG SER 12 -18.715 -1.142 6.790 89 H GLY 13 H GLY 13 -14.442 -1.266 5.222 90 1HA GLY 13 2HA GLY 13 -15.489 -0.396 2.681 91 2HA GLY 13 1HA GLY 13 -15.338 0.906 3.854 92 H CYS 14 H CYS 14 -13.815 -0.308 1.295 93 HA CYS 14 HA CYS 14 -11.118 -0.304 2.374 94 1HB CYS 14 2HB CYS 14 -11.991 -0.596 -0.489 95 2HB CYS 14 1HB CYS 14 -10.391 -0.915 0.170 96 H SER 15 H SER 15 -9.831 1.300 2.462 97 HA SER 15 HA SER 15 -10.092 3.528 0.596 98 1HB SER 15 2HB SER 15 -11.523 4.106 2.559 99 2HB SER 15 1HB SER 15 -10.094 3.989 3.586 100 HG SER 15 HG SER 15 -10.887 6.111 2.394 101 H VAL 16 H VAL 16 -8.279 5.199 1.119 102 HA VAL 16 HA VAL 16 -5.844 3.682 1.812 103 HB VAL 16 HB VAL 16 -6.016 5.923 -0.207 104 1HG1 VAL 16 1HG1 VAL 16 -3.795 5.914 -0.179 105 2HG1 VAL 16 2HG1 VAL 16 -3.765 4.178 -0.475 106 3HG1 VAL 16 3HG1 VAL 16 -3.843 4.785 1.173 107 1HG2 VAL 16 1HG2 VAL 16 -7.093 4.197 -1.292 108 2HG2 VAL 16 2HG2 VAL 16 -6.104 2.966 -0.491 109 3HG2 VAL 16 3HG2 VAL 16 -5.404 3.974 -1.764 110 H ASN 17 H ASN 17 -4.773 4.429 3.494 111 HA ASN 17 HA ASN 17 -5.392 6.939 4.716 112 1HB ASN 17 2HB ASN 17 -3.838 4.588 5.376 113 2HB ASN 17 1HB ASN 17 -2.929 6.050 5.741 114 1HD2 ASN 17 1HD2 ASN 17 -3.349 7.081 7.560 115 2HD2 ASN 17 2HD2 ASN 17 -4.697 6.784 8.599 116 H TRP 18 H TRP 18 -3.386 5.931 2.209 117 HA TRP 18 HA TRP 18 -1.905 6.917 0.848 118 1HB TRP 18 2HB TRP 18 -3.145 9.337 2.139 119 2HB TRP 18 1HB TRP 18 -1.876 9.485 0.917 120 HD1 TRP 18 HD TRP 18 -5.520 9.280 1.164 121 HE1 TRP 18 1HE TRP 18 -6.572 8.674 -1.103 122 HE3 TRP 18 3HE TRP 18 -1.329 7.724 -1.248 123 HZ2 TRP 18 2HZ TRP 18 -5.719 7.646 -3.592 124 HZ3 TRP 18 3HZ TRP 18 -1.518 6.928 -3.570 125 HH2 TRP 18 HH TRP 18 -3.676 6.880 -4.704 126 H GLY 19 H GLY 19 -1.610 8.819 3.883 127 1HA GLY 19 2HA GLY 19 1.164 9.067 3.738 128 2HA GLY 19 1HA GLY 19 0.243 9.063 5.246 129 H GLU 20 H GLU 20 -0.862 6.403 4.704 130 HA GLU 20 HA GLU 20 1.211 4.821 5.883 131 1HB GLU 20 2HB GLU 20 -1.617 4.277 4.981 132 2HB GLU 20 1HB GLU 20 -0.567 2.964 5.501 133 1HG GLU 20 2HG GLU 20 -0.499 5.107 7.409 134 2HG GLU 20 1HG GLU 20 -2.160 4.609 7.095 135 H ALA 21 H ALA 21 -0.351 5.069 2.731 136 HA ALA 21 HA ALA 21 1.043 2.899 1.500 137 1HB ALA 21 1HB ALA 21 0.205 5.041 -0.277 138 2HB ALA 21 2HB ALA 21 -1.070 4.547 0.837 139 3HB ALA 21 3HB ALA 21 -0.310 3.357 -0.223 140 H PHE 22 H PHE 22 1.456 6.383 1.679 141 HA PHE 22 HA PHE 22 3.581 6.725 -0.093 142 1HB PHE 22 2HB PHE 22 2.386 8.617 0.833 143 2HB PHE 22 1HB PHE 22 2.876 8.169 2.467 144 HD1 PHE 22 1HD PHE 22 4.260 9.210 -0.814 145 HD2 PHE 22 2HD PHE 22 4.793 9.066 3.391 146 HE1 PHE 22 1HE PHE 22 6.244 10.643 -1.024 147 HE2 PHE 22 2HE PHE 22 6.781 10.494 3.195 148 HZ PHE 22 HZ PHE 22 7.510 11.284 0.984 149 H SER 23 H SER 23 3.439 5.718 3.244 150 HA SER 23 HA SER 23 6.276 5.748 3.682 151 1HB SER 23 2HB SER 23 5.813 4.774 5.786 152 2HB SER 23 1HB SER 23 4.381 5.747 5.460 153 HG SER 23 HG SER 23 4.700 2.953 5.341 154 H ALA 24 H ALA 24 3.941 3.544 2.367 155 HA ALA 24 HA ALA 24 5.595 1.211 2.404 156 1HB ALA 24 1HB ALA 24 2.988 1.459 2.127 157 2HB ALA 24 2HB ALA 24 3.851 0.140 1.333 158 3HB ALA 24 3HB ALA 24 3.397 1.577 0.415 159 H GLY 25 H GLY 25 4.674 3.607 -0.043 160 1HA GLY 25 2HA GLY 25 6.191 2.540 -2.163 161 2HA GLY 25 1HA GLY 25 5.650 4.204 -2.039 162 H VAL 26 H VAL 26 7.006 5.115 0.195 163 HA VAL 26 HA VAL 26 9.535 5.744 -0.845 164 HB VAL 26 HB VAL 26 8.626 5.800 2.043 165 1HG1 VAL 26 1HG1 VAL 26 10.991 5.917 2.082 166 2HG1 VAL 26 2HG1 VAL 26 10.417 7.578 2.223 167 3HG1 VAL 26 3HG1 VAL 26 11.033 6.985 0.679 168 1HG2 VAL 26 1HG2 VAL 26 8.728 7.993 -0.010 169 2HG2 VAL 26 2HG2 VAL 26 8.135 8.106 1.650 170 3HG2 VAL 26 3HG2 VAL 26 7.277 7.106 0.469 171 H HIS 27 H HIS 27 8.584 3.174 1.414 172 HA HIS 27 HA HIS 27 11.197 2.402 2.135 173 1HB HIS 27 2HB HIS 27 8.647 0.775 1.983 174 2HB HIS 27 1HB HIS 27 10.143 0.203 2.713 175 HD1 HIS 27 1HD HIS 27 9.646 3.711 3.396 176 HD2 HIS 27 2HD HIS 27 8.388 0.125 5.071 177 HE1 HIS 27 1HE HIS 27 8.829 4.292 5.683 178 HE2 HIS 27 2HE HIS 27 8.184 2.096 6.734 179 H ARG 28 H ARG 28 9.059 1.447 -0.487 180 HA ARG 28 HA ARG 28 10.836 -0.480 -1.620 181 1HB ARG 28 2HB ARG 28 8.509 -0.748 -2.033 182 2HB ARG 28 1HB ARG 28 8.345 0.905 -2.602 183 1HG ARG 28 2HG ARG 28 8.225 -0.575 -4.469 184 2HG ARG 28 1HG ARG 28 9.741 0.324 -4.556 185 1HD ARG 28 2HD ARG 28 9.878 -2.230 -3.103 186 2HD ARG 28 1HD ARG 28 9.538 -2.366 -4.829 187 HE ARG 28 HE ARG 28 11.678 -0.594 -4.460 188 1HH1 ARG 28 1HH1 ARG 28 10.949 -3.989 -4.124 189 2HH1 ARG 28 2HH1 ARG 28 12.572 -4.499 -4.446 190 1HH2 ARG 28 1HH2 ARG 28 13.815 -1.263 -4.888 191 2HH2 ARG 28 2HH2 ARG 28 14.199 -2.952 -4.880 192 H LEU 29 H LEU 29 10.039 2.896 -2.313 193 HA LEU 29 HA LEU 29 11.678 3.102 -4.629 194 1HB LEU 29 2HB LEU 29 9.800 4.543 -4.440 195 2HB LEU 29 1HB LEU 29 10.324 5.131 -2.875 196 HG LEU 29 HG LEU 29 12.121 6.378 -3.861 197 1HD1 LEU 29 1HD1 LEU 29 12.754 4.762 -5.587 198 2HD1 LEU 29 2HD1 LEU 29 12.561 6.383 -6.254 199 3HD1 LEU 29 3HD1 LEU 29 11.303 5.172 -6.500 200 1HD2 LEU 29 1HD2 LEU 29 10.000 7.014 -5.820 201 2HD2 LEU 29 2HD2 LEU 29 10.858 8.064 -4.693 202 3HD2 LEU 29 3HD2 LEU 29 9.544 7.040 -4.117 203 H ALA 30 H ALA 30 12.015 4.342 -1.336 204 HA ALA 30 HA ALA 30 14.566 5.491 -1.741 205 1HB ALA 30 1HB ALA 30 12.653 5.787 0.102 206 2HB ALA 30 2HB ALA 30 14.325 6.297 0.348 207 3HB ALA 30 3HB ALA 30 13.767 4.753 0.996 208 H ASN 31 H ASN 31 13.825 2.261 -1.657 209 HA ASN 31 HA ASN 31 16.049 1.394 -0.032 210 1HB ASN 31 2HB ASN 31 14.029 0.018 -0.132 211 2HB ASN 31 1HB ASN 31 14.227 -0.176 -1.871 212 1HD2 ASN 31 1HD2 ASN 31 14.139 -2.466 -1.258 213 2HD2 ASN 31 2HD2 ASN 31 15.606 -3.251 -0.793 214 H GLY 32 H GLY 32 15.338 1.825 -3.446 215 1HA GLY 32 2HA GLY 32 17.808 0.583 -4.298 216 2HA GLY 32 1HA GLY 32 16.636 1.394 -5.325 217 H GLY 33 H GLY 33 18.810 2.299 -2.639 218 1HA GLY 33 2HA GLY 33 19.410 4.801 -4.061 219 2HA GLY 33 1HA GLY 33 19.729 4.476 -2.365 220 H ASN 34 H ASN 34 20.759 3.648 -5.646 221 HA ASN 34 HA ASN 34 22.794 3.192 -6.527 222 1HB ASN 34 2HB ASN 34 23.956 4.128 -3.896 223 2HB ASN 34 1HB ASN 34 24.772 4.041 -5.453 224 1HD2 ASN 34 1HD2 ASN 34 24.860 6.363 -4.146 225 2HD2 ASN 34 2HD2 ASN 34 23.845 7.540 -4.900 226 H GLY 35 H GLY 35 23.072 2.309 -3.062 227 1HA GLY 35 2HA GLY 35 23.418 -0.483 -3.866 228 2HA GLY 35 1HA GLY 35 24.756 0.274 -3.011 229 H PHE 36 H PHE 36 24.641 -1.018 -1.198 230 HA PHE 36 HA PHE 36 23.929 -1.758 0.832 231 1HB PHE 36 2HB PHE 36 23.071 1.009 0.582 232 2HB PHE 36 1HB PHE 36 22.019 0.098 1.660 233 HD1 PHE 36 1HD PHE 36 22.732 -0.542 3.814 234 HD2 PHE 36 2HD PHE 36 25.511 1.119 1.052 235 HE1 PHE 36 1HE PHE 36 24.387 -0.316 5.621 236 HE2 PHE 36 2HE PHE 36 27.172 1.348 2.853 237 HZ PHE 36 HZ PHE 36 26.611 0.629 5.141 238 H TRP 37 H TRP 37 22.875 -3.570 -0.193 239 HA TRP 37 HA TRP 37 20.072 -3.449 -0.805 240 1HB TRP 37 2HB TRP 37 21.882 -5.041 -1.783 241 2HB TRP 37 1HB TRP 37 21.578 -6.006 -0.341 242 HD1 TRP 37 HD TRP 37 19.627 -4.581 -3.367 243 HE1 TRP 37 1HE TRP 37 17.679 -6.181 -3.883 244 HE3 TRP 37 3HE TRP 37 20.224 -7.862 0.508 245 HZ2 TRP 37 2HZ TRP 37 16.546 -8.526 -2.792 246 HZ3 TRP 37 3HZ TRP 37 18.666 -9.757 0.700 247 HH2 TRP 37 HH TRP 37 16.865 -10.080 -0.917 Start of MODEL 2 1 HA LYS 1 HA LYS 1 -5.982 -6.118 6.263 2 1HB LYS 1 2HB LYS 1 -7.501 -7.477 5.225 3 2HB LYS 1 1HB LYS 1 -8.394 -6.127 4.537 4 1HG LYS 1 2HG LYS 1 -7.080 -6.032 2.657 5 2HG LYS 1 1HG LYS 1 -5.691 -6.756 3.462 6 1HD LYS 1 2HD LYS 1 -7.966 -8.564 3.364 7 2HD LYS 1 1HD LYS 1 -7.449 -8.040 1.758 8 1HE LYS 1 2HE LYS 1 -5.599 -9.161 3.857 9 2HE LYS 1 1HE LYS 1 -6.325 -10.113 2.563 10 1HZ LYS 1 1HZ LYS 1 -5.161 -8.856 0.942 11 2HZ LYS 1 2HZ LYS 1 -4.027 -9.308 2.113 12 3HZ LYS 1 3HZ LYS 1 -4.629 -7.727 2.084 13 H TYR 2 H TYR 2 -4.091 -5.153 5.736 14 HA TYR 2 HA TYR 2 -3.981 -2.883 4.014 15 1HB TYR 2 2HB TYR 2 -2.470 -3.718 6.051 16 2HB TYR 2 1HB TYR 2 -1.510 -4.349 4.706 17 HD1 TYR 2 1HD TYR 2 -3.007 -1.392 6.159 18 HD2 TYR 2 2HD TYR 2 -0.296 -2.873 3.291 19 HE1 TYR 2 1HE TYR 2 -2.134 0.884 5.821 20 HE2 TYR 2 2HE TYR 2 0.572 -0.624 2.913 21 HH TYR 2 HH TYR 2 0.586 1.644 4.679 22 H TYR 3 H TYR 3 -3.464 -2.822 1.896 23 HA TYR 3 HA TYR 3 -2.881 -5.380 0.546 24 1HB TYR 3 2HB TYR 3 -4.334 -2.905 -0.212 25 2HB TYR 3 1HB TYR 3 -3.441 -3.715 -1.502 26 HD1 TYR 3 1HD TYR 3 -3.935 -6.177 -1.926 27 HD2 TYR 3 2HD TYR 3 -6.408 -3.716 0.503 28 HE1 TYR 3 1HE TYR 3 -5.758 -7.811 -2.140 29 HE2 TYR 3 2HE TYR 3 -8.244 -5.338 0.291 30 HH TYR 3 HH TYR 3 -8.492 -7.557 -1.947 31 H GLY 4 H GLY 4 -0.811 -4.152 1.935 32 1HA GLY 4 2HA GLY 4 1.278 -3.202 1.734 33 2HA GLY 4 1HA GLY 4 1.352 -4.253 0.326 34 H ASN 5 H ASN 5 -0.915 -1.616 0.421 35 HA ASN 5 HA ASN 5 0.835 0.173 -1.068 36 1HB ASN 5 2HB ASN 5 -1.380 -1.391 -2.254 37 2HB ASN 5 1HB ASN 5 -1.371 0.322 -2.653 38 1HD2 ASN 5 1HD2 ASN 5 -0.892 -0.047 -4.790 39 2HD2 ASN 5 2HD2 ASN 5 0.664 -0.579 -5.316 40 H GLY 6 H GLY 6 -0.266 0.379 1.526 41 1HA GLY 6 2HA GLY 6 -1.465 1.859 2.829 42 2HA GLY 6 1HA GLY 6 -1.401 2.931 1.455 43 H VAL 7 H VAL 7 -2.847 -0.165 1.046 44 HA VAL 7 HA VAL 7 -5.505 1.135 1.036 45 HB VAL 7 HB VAL 7 -4.473 -1.071 -0.739 46 1HG1 VAL 7 1HG1 VAL 7 -6.570 -1.894 -0.103 47 2HG1 VAL 7 2HG1 VAL 7 -6.904 -1.002 -1.590 48 3HG1 VAL 7 3HG1 VAL 7 -7.263 -0.274 -0.023 49 1HG2 VAL 7 1HG2 VAL 7 -6.082 1.168 -1.752 50 2HG2 VAL 7 2HG2 VAL 7 -4.636 0.412 -2.432 51 3HG2 VAL 7 3HG2 VAL 7 -4.488 1.596 -1.133 52 H HIS 8 H HIS 8 -6.334 0.641 2.953 53 HA HIS 8 HA HIS 8 -6.322 -2.180 3.723 54 1HB HIS 8 2HB HIS 8 -7.219 -0.520 5.874 55 2HB HIS 8 1HB HIS 8 -5.806 -1.567 5.808 56 HD1 HIS 8 1HD HIS 8 -6.187 1.447 7.043 57 HD2 HIS 8 2HD HIS 8 -4.073 0.265 3.663 58 HE1 HIS 8 1HE HIS 8 -4.464 3.239 6.669 59 HE2 HIS 8 2HE HIS 8 -3.221 2.529 4.597 60 H CYS 9 H CYS 9 -8.271 -2.948 4.828 61 HA CYS 9 HA CYS 9 -10.642 -1.550 3.866 62 1HB CYS 9 2HB CYS 9 -10.415 -4.542 4.013 63 2HB CYS 9 1HB CYS 9 -11.702 -3.592 3.282 64 H THR 10 H THR 10 -10.868 -0.568 5.838 65 HA THR 10 HA THR 10 -11.408 -2.303 8.143 66 HB THR 10 HB THR 10 -10.934 -0.480 9.545 67 HG1 THR 10 1HG THR 10 -10.563 1.657 8.392 68 1HG2 THR 10 1HG2 THR 10 -8.774 0.207 9.034 69 2HG2 THR 10 2HG2 THR 10 -9.071 0.165 7.296 70 3HG2 THR 10 3HG2 THR 10 -8.938 -1.342 8.207 71 H LYS 11 H LYS 11 -13.189 -2.235 9.294 72 HA LYS 11 HA LYS 11 -15.519 -2.406 9.293 73 1HB LYS 11 2HB LYS 11 -15.032 0.510 9.786 74 2HB LYS 11 1HB LYS 11 -16.284 -0.499 10.497 75 1HG LYS 11 2HG LYS 11 -13.422 -1.185 10.943 76 2HG LYS 11 1HG LYS 11 -14.146 0.145 11.845 77 1HD LYS 11 2HD LYS 11 -15.699 -2.366 11.751 78 2HD LYS 11 1HD LYS 11 -14.193 -2.416 12.671 79 1HE LYS 11 2HE LYS 11 -16.151 -0.186 13.069 80 2HE LYS 11 1HE LYS 11 -16.390 -1.739 13.867 81 1HZ LYS 11 1HZ LYS 11 -14.432 -1.499 15.080 82 2HZ LYS 11 2HZ LYS 11 -15.115 0.048 15.122 83 3HZ LYS 11 3HZ LYS 11 -13.829 -0.279 14.073 84 H SER 12 H SER 12 -14.867 0.746 7.747 85 HA SER 12 HA SER 12 -17.394 0.645 6.377 86 1HB SER 12 2HB SER 12 -16.908 2.863 5.634 87 2HB SER 12 1HB SER 12 -16.354 2.741 7.304 88 HG SER 12 HG SER 12 -14.940 3.599 5.373 89 H GLY 13 H GLY 13 -14.646 -0.952 5.658 90 1HA GLY 13 2HA GLY 13 -14.736 -2.215 3.557 91 2HA GLY 13 1HA GLY 13 -15.187 -0.718 2.759 92 H CYS 14 H CYS 14 -13.455 -1.033 1.277 93 HA CYS 14 HA CYS 14 -10.747 -0.878 2.338 94 1HB CYS 14 2HB CYS 14 -11.647 -1.136 -0.516 95 2HB CYS 14 1HB CYS 14 -9.998 -1.270 0.081 96 H SER 15 H SER 15 -9.599 0.825 2.470 97 HA SER 15 HA SER 15 -10.093 3.113 0.729 98 1HB SER 15 2HB SER 15 -10.283 4.713 2.534 99 2HB SER 15 1HB SER 15 -11.514 3.471 2.762 100 HG SER 15 HG SER 15 -9.134 3.913 4.195 101 H VAL 16 H VAL 16 -8.394 4.872 1.192 102 HA VAL 16 HA VAL 16 -5.834 3.550 1.818 103 HB VAL 16 HB VAL 16 -6.169 5.868 -0.081 104 1HG1 VAL 16 1HG1 VAL 16 -3.950 5.920 -0.105 105 2HG1 VAL 16 2HG1 VAL 16 -3.901 4.236 -0.610 106 3HG1 VAL 16 3HG1 VAL 16 -3.910 4.641 1.103 107 1HG2 VAL 16 1HG2 VAL 16 -6.346 2.954 -0.538 108 2HG2 VAL 16 2HG2 VAL 16 -5.541 3.963 -1.748 109 3HG2 VAL 16 3HG2 VAL 16 -7.225 4.281 -1.314 110 H ASN 17 H ASN 17 -4.769 4.355 3.482 111 HA ASN 17 HA ASN 17 -5.631 6.782 4.767 112 1HB ASN 17 2HB ASN 17 -3.858 4.563 5.392 113 2HB ASN 17 1HB ASN 17 -3.141 6.106 5.845 114 1HD2 ASN 17 1HD2 ASN 17 -3.716 6.963 7.710 115 2HD2 ASN 17 2HD2 ASN 17 -5.069 6.483 8.670 116 H TRP 18 H TRP 18 -3.593 6.011 2.227 117 HA TRP 18 HA TRP 18 -2.223 7.153 0.879 118 1HB TRP 18 2HB TRP 18 -3.521 9.451 2.343 119 2HB TRP 18 1HB TRP 18 -2.338 9.702 1.053 120 HD1 TRP 18 HD TRP 18 -5.961 9.224 1.521 121 HE1 TRP 18 1HE TRP 18 -7.105 8.646 -0.704 122 HE3 TRP 18 3HE TRP 18 -1.828 8.136 -1.225 123 HZ2 TRP 18 2HZ TRP 18 -6.342 7.821 -3.293 124 HZ3 TRP 18 3HZ TRP 18 -2.107 7.449 -3.573 125 HH2 TRP 18 HH TRP 18 -4.326 7.279 -4.571 126 H GLY 19 H GLY 19 -1.864 9.044 3.923 127 1HA GLY 19 2HA GLY 19 0.905 9.301 3.683 128 2HA GLY 19 1HA GLY 19 0.037 9.314 5.223 129 H GLU 20 H GLU 20 -1.053 6.604 4.643 130 HA GLU 20 HA GLU 20 1.058 5.050 5.807 131 1HB GLU 20 2HB GLU 20 -1.804 4.742 5.259 132 2HB GLU 20 1HB GLU 20 -0.896 3.266 4.988 133 1HG GLU 20 2HG GLU 20 -0.623 4.836 7.523 134 2HG GLU 20 1HG GLU 20 -1.897 3.638 7.297 135 H ALA 21 H ALA 21 -0.559 5.331 2.692 136 HA ALA 21 HA ALA 21 0.817 3.218 1.376 137 1HB ALA 21 1HB ALA 21 -1.313 4.780 0.790 138 2HB ALA 21 2HB ALA 21 -0.441 3.815 -0.404 139 3HB ALA 21 3HB ALA 21 -0.071 5.529 -0.211 140 H PHE 22 H PHE 22 1.319 6.661 1.797 141 HA PHE 22 HA PHE 22 3.454 7.056 0.026 142 1HB PHE 22 2HB PHE 22 2.179 8.859 1.206 143 2HB PHE 22 1HB PHE 22 2.974 8.392 2.706 144 HD1 PHE 22 1HD PHE 22 5.543 8.495 2.741 145 HD2 PHE 22 2HD PHE 22 3.145 10.437 -0.190 146 HE1 PHE 22 1HE PHE 22 7.412 10.005 2.218 147 HE2 PHE 22 2HE PHE 22 5.013 11.952 -0.718 148 HZ PHE 22 HZ PHE 22 7.149 11.735 0.486 149 H SER 23 H SER 23 3.233 5.907 3.316 150 HA SER 23 HA SER 23 6.055 5.731 3.795 151 1HB SER 23 2HB SER 23 3.630 4.565 5.170 152 2HB SER 23 1HB SER 23 5.268 4.170 5.688 153 HG SER 23 HG SER 23 4.983 5.918 6.845 154 H ALA 24 H ALA 24 3.623 3.668 2.402 155 HA ALA 24 HA ALA 24 5.184 1.266 2.461 156 1HB ALA 24 1HB ALA 24 2.941 1.725 0.539 157 2HB ALA 24 2HB ALA 24 2.609 1.556 2.263 158 3HB ALA 24 3HB ALA 24 3.403 0.247 1.384 159 H GLY 25 H GLY 25 4.319 3.623 -0.038 160 1HA GLY 25 2HA GLY 25 5.785 2.426 -2.127 161 2HA GLY 25 1HA GLY 25 5.258 4.100 -2.074 162 H VAL 26 H VAL 26 6.685 4.866 0.280 163 HA VAL 26 HA VAL 26 9.178 5.554 -0.875 164 HB VAL 26 HB VAL 26 8.312 5.665 2.033 165 1HG1 VAL 26 1HG1 VAL 26 10.720 6.778 0.617 166 2HG1 VAL 26 2HG1 VAL 26 10.670 5.742 2.044 167 3HG1 VAL 26 3HG1 VAL 26 10.138 7.420 2.155 168 1HG2 VAL 26 1HG2 VAL 26 7.215 7.046 0.016 169 2HG2 VAL 26 2HG2 VAL 26 8.570 8.108 0.398 170 3HG2 VAL 26 3HG2 VAL 26 7.397 7.689 1.647 171 H HIS 27 H HIS 27 8.243 3.048 1.454 172 HA HIS 27 HA HIS 27 10.865 2.241 2.104 173 1HB HIS 27 2HB HIS 27 8.279 0.667 2.047 174 2HB HIS 27 1HB HIS 27 9.785 0.058 2.723 175 HD1 HIS 27 1HD HIS 27 9.270 3.601 3.381 176 HD2 HIS 27 2HD HIS 27 8.246 0.003 5.185 177 HE1 HIS 27 1HE HIS 27 8.584 4.192 5.710 178 HE2 HIS 27 2HE HIS 27 8.071 1.994 6.828 179 H ARG 28 H ARG 28 8.649 1.363 -0.488 180 HA ARG 28 HA ARG 28 10.277 -0.669 -1.626 181 1HB ARG 28 2HB ARG 28 7.978 0.967 -2.680 182 2HB ARG 28 1HB ARG 28 8.803 -0.230 -3.669 183 1HG ARG 28 2HG ARG 28 8.289 -1.786 -1.604 184 2HG ARG 28 1HG ARG 28 7.009 -0.601 -1.331 185 1HD ARG 28 2HD ARG 28 6.063 -2.312 -2.664 186 2HD ARG 28 1HD ARG 28 6.342 -0.941 -3.737 187 HE ARG 28 HE ARG 28 8.583 -2.381 -4.065 188 1HH1 ARG 28 1HH1 ARG 28 5.209 -3.272 -4.152 189 2HH1 ARG 28 2HH1 ARG 28 5.452 -4.562 -5.281 190 1HH2 ARG 28 1HH2 ARG 28 8.901 -4.075 -5.553 191 2HH2 ARG 28 2HH2 ARG 28 7.546 -5.019 -6.076 192 H LEU 29 H LEU 29 9.781 2.772 -2.423 193 HA LEU 29 HA LEU 29 11.597 2.790 -4.600 194 1HB LEU 29 2HB LEU 29 10.857 5.198 -2.980 195 2HB LEU 29 1HB LEU 29 11.309 5.126 -4.673 196 HG LEU 29 HG LEU 29 8.727 4.241 -3.431 197 1HD1 LEU 29 1HD1 LEU 29 7.727 5.936 -4.704 198 2HD1 LEU 29 2HD1 LEU 29 9.178 6.167 -5.679 199 3HD1 LEU 29 3HD1 LEU 29 9.163 6.666 -3.986 200 1HD2 LEU 29 1HD2 LEU 29 10.022 3.401 -5.923 201 2HD2 LEU 29 2HD2 LEU 29 8.337 3.905 -6.072 202 3HD2 LEU 29 3HD2 LEU 29 8.778 2.606 -4.961 203 H ALA 30 H ALA 30 11.797 4.002 -1.334 204 HA ALA 30 HA ALA 30 14.460 4.907 -1.451 205 1HB ALA 30 1HB ALA 30 13.156 4.065 1.101 206 2HB ALA 30 2HB ALA 30 12.558 5.458 0.201 207 3HB ALA 30 3HB ALA 30 14.222 5.435 0.788 208 H ASN 31 H ASN 31 13.211 1.699 -0.981 209 HA ASN 31 HA ASN 31 15.621 0.770 0.330 210 1HB ASN 31 2HB ASN 31 13.403 -0.245 0.831 211 2HB ASN 31 1HB ASN 31 13.360 -0.890 -0.812 212 1HD2 ASN 31 1HD2 ASN 31 14.486 -1.302 2.368 213 2HD2 ASN 31 2HD2 ASN 31 15.407 -2.740 2.109 214 H GLY 32 H GLY 32 16.757 1.826 -1.653 215 1HA GLY 32 2HA GLY 32 18.309 0.137 -2.986 216 2HA GLY 32 1HA GLY 32 16.851 0.045 -3.963 217 H GLY 33 H GLY 33 16.357 2.982 -3.266 218 1HA GLY 33 2HA GLY 33 18.534 4.313 -4.673 219 2HA GLY 33 1HA GLY 33 17.000 4.248 -5.531 220 H ASN 34 H ASN 34 18.871 6.051 -3.463 221 HA ASN 34 HA ASN 34 16.664 7.875 -2.947 222 1HB ASN 34 2HB ASN 34 17.218 8.062 -0.535 223 2HB ASN 34 1HB ASN 34 16.610 6.465 -0.965 224 1HD2 ASN 34 1HD2 ASN 34 18.098 4.731 -1.126 225 2HD2 ASN 34 2HD2 ASN 34 19.601 4.774 -0.275 226 H GLY 35 H GLY 35 17.534 9.547 -4.044 227 1HA GLY 35 2HA GLY 35 20.242 10.440 -3.232 228 2HA GLY 35 1HA GLY 35 19.615 10.625 -4.865 229 H PHE 36 H PHE 36 17.774 11.174 -1.921 230 HA PHE 36 HA PHE 36 17.020 13.797 -2.815 231 1HB PHE 36 2HB PHE 36 16.284 11.993 -0.569 232 2HB PHE 36 1HB PHE 36 16.024 13.717 -0.324 233 HD1 PHE 36 1HD PHE 36 14.128 14.750 -1.172 234 HD2 PHE 36 2HD PHE 36 15.287 10.942 -2.679 235 HE1 PHE 36 1HE PHE 36 12.027 14.619 -2.447 236 HE2 PHE 36 2HE PHE 36 13.188 10.804 -3.955 237 HZ PHE 36 HZ PHE 36 11.555 12.644 -3.840 238 H TRP 37 H TRP 37 17.891 15.703 -2.274 239 HA TRP 37 HA TRP 37 20.270 15.768 -0.662 240 1HB TRP 37 2HB TRP 37 18.951 17.514 -2.581 241 2HB TRP 37 1HB TRP 37 19.561 18.407 -1.191 242 HD1 TRP 37 HD TRP 37 20.692 16.638 -4.322 243 HE1 TRP 37 1HE TRP 37 23.241 16.889 -4.574 244 HE3 TRP 37 3HE TRP 37 21.775 18.594 0.276 245 HZ2 TRP 37 2HZ TRP 37 25.422 17.797 -3.028 246 HZ3 TRP 37 3HZ TRP 37 24.116 19.127 0.809 247 HH2 TRP 37 HH TRP 37 25.901 18.735 -0.810 Start of MODEL 3 1 HA LYS 1 HA LYS 1 -6.686 -5.941 6.966 2 1HB LYS 1 2HB LYS 1 -7.520 -6.825 4.775 3 2HB LYS 1 1HB LYS 1 -8.669 -6.998 6.104 4 1HG LYS 1 2HG LYS 1 -9.538 -4.685 5.173 5 2HG LYS 1 1HG LYS 1 -8.772 -5.267 3.694 6 1HD LYS 1 2HD LYS 1 -10.915 -6.678 5.291 7 2HD LYS 1 1HD LYS 1 -11.118 -5.903 3.720 8 1HE LYS 1 2HE LYS 1 -10.725 -7.922 2.848 9 2HE LYS 1 1HE LYS 1 -9.038 -7.646 3.278 10 1HZ LYS 1 1HZ LYS 1 -10.910 -8.822 5.232 11 2HZ LYS 1 2HZ LYS 1 -9.225 -8.947 5.168 12 3HZ LYS 1 3HZ LYS 1 -10.178 -9.793 4.056 13 H TYR 2 H TYR 2 -4.786 -4.974 6.407 14 HA TYR 2 HA TYR 2 -4.613 -2.844 4.559 15 1HB TYR 2 2HB TYR 2 -3.131 -3.592 6.622 16 2HB TYR 2 1HB TYR 2 -2.314 -4.564 5.410 17 HD1 TYR 2 1HD TYR 2 -0.380 -3.213 6.260 18 HD2 TYR 2 2HD TYR 2 -3.568 -1.535 4.058 19 HE1 TYR 2 1HE TYR 2 1.029 -1.273 5.731 20 HE2 TYR 2 2HE TYR 2 -2.205 0.408 3.519 21 HH TYR 2 HH TYR 2 1.143 0.490 3.958 22 H TYR 3 H TYR 3 -3.122 -3.098 2.654 23 HA TYR 3 HA TYR 3 -3.386 -5.778 1.448 24 1HB TYR 3 2HB TYR 3 -4.292 -3.119 0.473 25 2HB TYR 3 1HB TYR 3 -3.606 -4.205 -0.731 26 HD1 TYR 3 1HD TYR 3 -4.510 -6.779 -0.186 27 HD2 TYR 3 2HD TYR 3 -6.574 -3.148 0.458 28 HE1 TYR 3 1HE TYR 3 -6.651 -7.985 -0.349 29 HE2 TYR 3 2HE TYR 3 -8.724 -4.314 0.287 30 HH TYR 3 HH TYR 3 -9.398 -6.764 -1.003 31 H GLY 4 H GLY 4 -1.423 -3.027 2.069 32 1HA GLY 4 2HA GLY 4 0.946 -3.244 2.044 33 2HA GLY 4 1HA GLY 4 0.797 -4.349 0.681 34 H ASN 5 H ASN 5 -1.251 -1.668 0.481 35 HA ASN 5 HA ASN 5 0.659 -0.087 -1.081 36 1HB ASN 5 2HB ASN 5 -1.839 -1.395 -2.058 37 2HB ASN 5 1HB ASN 5 -1.498 0.232 -2.637 38 1HD2 ASN 5 1HD2 ASN 5 -1.498 -2.428 -3.984 39 2HD2 ASN 5 2HD2 ASN 5 0.049 -2.539 -4.746 40 H GLY 6 H GLY 6 -1.066 -0.009 1.557 41 1HA GLY 6 2HA GLY 6 -1.628 1.974 2.713 42 2HA GLY 6 1HA GLY 6 -1.793 2.793 1.167 43 H VAL 7 H VAL 7 -3.297 0.116 0.457 44 HA VAL 7 HA VAL 7 -5.918 1.220 0.972 45 HB VAL 7 HB VAL 7 -5.039 -1.181 -0.630 46 1HG1 VAL 7 1HG1 VAL 7 -7.760 0.016 -0.226 47 2HG1 VAL 7 2HG1 VAL 7 -7.234 -1.604 0.226 48 3HG1 VAL 7 3HG1 VAL 7 -7.365 -1.166 -1.477 49 1HG2 VAL 7 1HG2 VAL 7 -4.638 1.284 -1.371 50 2HG2 VAL 7 2HG2 VAL 7 -6.365 1.234 -1.729 51 3HG2 VAL 7 3HG2 VAL 7 -5.266 0.098 -2.513 52 H HIS 8 H HIS 8 -6.772 0.821 2.886 53 HA HIS 8 HA HIS 8 -6.810 -1.970 3.805 54 1HB HIS 8 2HB HIS 8 -7.427 -0.126 5.943 55 2HB HIS 8 1HB HIS 8 -6.188 -1.372 5.883 56 HD1 HIS 8 1HD HIS 8 -6.054 1.661 7.046 57 HD2 HIS 8 2HD HIS 8 -4.307 0.135 3.608 58 HE1 HIS 8 1HE HIS 8 -4.142 3.190 6.531 59 HE2 HIS 8 2HE HIS 8 -2.988 2.151 4.556 60 H CYS 9 H CYS 9 -8.745 -2.680 4.726 61 HA CYS 9 HA CYS 9 -11.030 -1.007 3.998 62 1HB CYS 9 2HB CYS 9 -11.162 -3.993 4.243 63 2HB CYS 9 1HB CYS 9 -12.268 -2.906 3.413 64 H THR 10 H THR 10 -11.080 0.033 5.928 65 HA THR 10 HA THR 10 -11.352 -1.510 8.376 66 HB THR 10 HB THR 10 -10.929 0.434 9.542 67 HG1 THR 10 1HG THR 10 -11.337 2.449 7.848 68 1HG2 THR 10 1HG2 THR 10 -9.235 0.036 7.467 69 2HG2 THR 10 2HG2 THR 10 -8.997 1.216 8.751 70 3HG2 THR 10 3HG2 THR 10 -9.707 1.716 7.216 71 H LYS 11 H LYS 11 -13.174 -1.836 9.449 72 HA LYS 11 HA LYS 11 -15.347 -1.709 10.099 73 1HB LYS 11 2HB LYS 11 -14.895 0.867 9.019 74 2HB LYS 11 1HB LYS 11 -16.434 0.312 8.379 75 1HG LYS 11 2HG LYS 11 -17.393 0.150 10.448 76 2HG LYS 11 1HG LYS 11 -15.840 0.054 11.280 77 1HD LYS 11 2HD LYS 11 -15.449 2.440 10.478 78 2HD LYS 11 1HD LYS 11 -17.161 2.463 10.056 79 1HE LYS 11 2HE LYS 11 -17.286 1.524 12.586 80 2HE LYS 11 1HE LYS 11 -15.854 2.549 12.691 81 1HZ LYS 11 1HZ LYS 11 -18.074 3.626 13.177 82 2HZ LYS 11 2HZ LYS 11 -18.389 3.521 11.519 83 3HZ LYS 11 3HZ LYS 11 -17.073 4.428 12.073 84 H SER 12 H SER 12 -15.925 -0.512 6.840 85 HA SER 12 HA SER 12 -16.595 -3.151 5.857 86 1HB SER 12 2HB SER 12 -18.916 -1.982 5.141 87 2HB SER 12 1HB SER 12 -18.730 -2.936 6.612 88 HG SER 12 HG SER 12 -19.486 -0.453 6.458 89 H GLY 13 H GLY 13 -14.830 -0.772 5.211 90 1HA GLY 13 2HA GLY 13 -15.392 -0.816 2.356 91 2HA GLY 13 1HA GLY 13 -15.447 0.763 3.121 92 H CYS 14 H CYS 14 -13.643 -0.355 1.045 93 HA CYS 14 HA CYS 14 -11.077 -0.369 2.413 94 1HB CYS 14 2HB CYS 14 -11.624 -0.691 -0.527 95 2HB CYS 14 1HB CYS 14 -10.105 -0.998 0.310 96 H SER 15 H SER 15 -9.798 1.248 2.567 97 HA SER 15 HA SER 15 -9.967 3.479 0.694 98 1HB SER 15 2HB SER 15 -10.149 3.933 3.680 99 2HB SER 15 1HB SER 15 -10.205 5.159 2.413 100 HG SER 15 HG SER 15 -12.295 4.643 3.137 101 H VAL 16 H VAL 16 -8.121 4.825 0.692 102 HA VAL 16 HA VAL 16 -5.744 3.470 1.726 103 HB VAL 16 HB VAL 16 -5.798 5.772 -0.204 104 1HG1 VAL 16 1HG1 VAL 16 -3.746 4.013 0.928 105 2HG1 VAL 16 2HG1 VAL 16 -3.601 5.624 0.234 106 3HG1 VAL 16 3HG1 VAL 16 -3.649 4.217 -0.823 107 1HG2 VAL 16 1HG2 VAL 16 -5.221 3.605 -1.724 108 2HG2 VAL 16 2HG2 VAL 16 -6.795 4.415 -1.647 109 3HG2 VAL 16 3HG2 VAL 16 -6.482 2.987 -0.648 110 H ASN 17 H ASN 17 -4.651 4.241 3.397 111 HA ASN 17 HA ASN 17 -5.389 6.697 4.658 112 1HB ASN 17 2HB ASN 17 -3.683 4.435 5.260 113 2HB ASN 17 1HB ASN 17 -2.908 5.952 5.710 114 1HD2 ASN 17 1HD2 ASN 17 -3.546 6.966 7.491 115 2HD2 ASN 17 2HD2 ASN 17 -4.881 6.499 8.484 116 H TRP 18 H TRP 18 -3.302 5.848 2.134 117 HA TRP 18 HA TRP 18 -1.878 6.990 0.813 118 1HB TRP 18 2HB TRP 18 -3.215 9.283 2.242 119 2HB TRP 18 1HB TRP 18 -1.995 9.534 0.988 120 HD1 TRP 18 HD TRP 18 -5.620 9.163 1.325 121 HE1 TRP 18 1HE TRP 18 -6.705 8.554 -0.924 122 HE3 TRP 18 3HE TRP 18 -1.432 7.839 -1.215 123 HZ2 TRP 18 2HZ TRP 18 -5.869 7.613 -3.454 124 HZ3 TRP 18 3HZ TRP 18 -1.643 7.079 -3.547 125 HH2 TRP 18 HH TRP 18 -3.820 6.954 -4.630 126 H GLY 19 H GLY 19 -1.699 8.599 4.025 127 1HA GLY 19 2HA GLY 19 1.082 8.997 3.868 128 2HA GLY 19 1HA GLY 19 0.152 8.919 5.370 129 H GLU 20 H GLU 20 -0.850 6.216 4.587 130 HA GLU 20 HA GLU 20 1.273 4.670 5.756 131 1HB GLU 20 2HB GLU 20 -1.556 4.176 4.930 132 2HB GLU 20 1HB GLU 20 -0.486 2.789 5.071 133 1HG GLU 20 2HG GLU 20 -1.586 2.999 7.139 134 2HG GLU 20 1HG GLU 20 0.060 3.566 7.389 135 H ALA 21 H ALA 21 -0.340 5.005 2.645 136 HA ALA 21 HA ALA 21 1.099 2.982 1.262 137 1HB ALA 21 1HB ALA 21 -0.148 3.612 -0.519 138 2HB ALA 21 2HB ALA 21 0.154 5.328 -0.246 139 3HB ALA 21 3HB ALA 21 -1.072 4.491 0.702 140 H PHE 22 H PHE 22 1.526 6.427 1.772 141 HA PHE 22 HA PHE 22 3.636 6.902 -0.008 142 1HB PHE 22 2HB PHE 22 2.437 8.712 1.069 143 2HB PHE 22 1HB PHE 22 2.957 8.158 2.660 144 HD1 PHE 22 1HD PHE 22 4.429 9.214 -0.598 145 HD2 PHE 22 2HD PHE 22 4.727 9.193 3.630 146 HE1 PHE 22 1HE PHE 22 6.371 10.718 -0.739 147 HE2 PHE 22 2HE PHE 22 6.673 10.699 3.507 148 HZ PHE 22 HZ PHE 22 7.493 11.459 1.319 149 H SER 23 H SER 23 3.476 5.675 3.249 150 HA SER 23 HA SER 23 6.300 5.579 3.722 151 1HB SER 23 2HB SER 23 4.329 5.439 5.441 152 2HB SER 23 1HB SER 23 4.336 3.720 5.052 153 HG SER 23 HG SER 23 6.101 3.488 6.173 154 H ALA 24 H ALA 24 3.949 3.533 2.193 155 HA ALA 24 HA ALA 24 5.553 1.164 2.050 156 1HB ALA 24 1HB ALA 24 3.352 1.774 0.124 157 2HB ALA 24 2HB ALA 24 2.972 1.449 1.815 158 3HB ALA 24 3HB ALA 24 3.805 0.230 0.849 159 H GLY 25 H GLY 25 4.714 3.791 -0.164 160 1HA GLY 25 2HA GLY 25 6.192 2.874 -2.381 161 2HA GLY 25 1HA GLY 25 5.709 4.541 -2.095 162 H VAL 26 H VAL 26 7.062 5.122 0.258 163 HA VAL 26 HA VAL 26 9.642 5.759 -0.694 164 HB VAL 26 HB VAL 26 8.702 5.593 2.184 165 1HG1 VAL 26 1HG1 VAL 26 11.092 5.660 2.135 166 2HG1 VAL 26 2HG1 VAL 26 10.510 7.267 2.571 167 3HG1 VAL 26 3HG1 VAL 26 11.081 6.949 0.932 168 1HG2 VAL 26 1HG2 VAL 26 7.411 7.062 0.597 169 2HG2 VAL 26 2HG2 VAL 26 8.879 8.039 0.460 170 3HG2 VAL 26 3HG2 VAL 26 8.088 7.845 2.028 171 H HIS 27 H HIS 27 8.491 3.075 1.313 172 HA HIS 27 HA HIS 27 11.031 2.073 2.013 173 1HB HIS 27 2HB HIS 27 8.365 0.678 1.667 174 2HB HIS 27 1HB HIS 27 9.793 -0.098 2.345 175 HD1 HIS 27 1HD HIS 27 9.572 3.361 3.371 176 HD2 HIS 27 2HD HIS 27 8.016 -0.260 4.680 177 HE1 HIS 27 1HE HIS 27 8.795 3.773 5.708 178 HE2 HIS 27 2HE HIS 27 7.750 1.608 6.450 179 H ARG 28 H ARG 28 8.922 1.611 -0.744 180 HA ARG 28 HA ARG 28 10.523 -0.361 -2.047 181 1HB ARG 28 2HB ARG 28 8.147 -0.221 -2.481 182 2HB ARG 28 1HB ARG 28 8.306 1.432 -3.048 183 1HG ARG 28 2HG ARG 28 8.044 -0.011 -4.929 184 2HG ARG 28 1HG ARG 28 9.698 0.604 -4.919 185 1HD ARG 28 2HD ARG 28 9.340 -1.910 -3.459 186 2HD ARG 28 1HD ARG 28 8.992 -2.022 -5.185 187 HE ARG 28 HE ARG 28 11.442 -0.658 -4.684 188 1HH1 ARG 28 1HH1 ARG 28 10.008 -3.832 -4.860 189 2HH1 ARG 28 2HH1 ARG 28 11.492 -4.617 -5.281 190 1HH2 ARG 28 1HH2 ARG 28 13.395 -1.687 -5.242 191 2HH2 ARG 28 2HH2 ARG 28 13.416 -3.400 -5.498 192 H LEU 29 H LEU 29 10.065 3.151 -2.507 193 HA LEU 29 HA LEU 29 11.933 3.291 -4.646 194 1HB LEU 29 2HB LEU 29 11.347 5.476 -4.887 195 2HB LEU 29 1HB LEU 29 9.926 4.838 -4.091 196 HG LEU 29 HG LEU 29 11.213 5.660 -1.916 197 1HD1 LEU 29 1HD1 LEU 29 12.398 7.229 -4.179 198 2HD1 LEU 29 2HD1 LEU 29 13.210 6.479 -2.806 199 3HD1 LEU 29 3HD1 LEU 29 12.230 7.925 -2.568 200 1HD2 LEU 29 1HD2 LEU 29 9.011 6.396 -2.496 201 2HD2 LEU 29 2HD2 LEU 29 9.630 7.366 -3.832 202 3HD2 LEU 29 3HD2 LEU 29 9.992 7.824 -2.167 203 H ALA 30 H ALA 30 12.092 4.053 -1.230 204 HA ALA 30 HA ALA 30 14.706 5.175 -1.320 205 1HB ALA 30 1HB ALA 30 14.503 5.445 0.984 206 2HB ALA 30 2HB ALA 30 13.421 4.061 1.144 207 3HB ALA 30 3HB ALA 30 12.842 5.550 0.397 208 H ASN 31 H ASN 31 13.563 1.926 -1.237 209 HA ASN 31 HA ASN 31 15.859 0.833 0.091 210 1HB ASN 31 2HB ASN 31 13.785 -0.395 0.199 211 2HB ASN 31 1HB ASN 31 13.686 -0.482 -1.561 212 1HD2 ASN 31 1HD2 ASN 31 14.808 -1.945 1.272 213 2HD2 ASN 31 2HD2 ASN 31 15.716 -3.223 0.548 214 H GLY 32 H GLY 32 17.545 1.828 -1.105 215 1HA GLY 32 2HA GLY 32 18.667 0.184 -3.102 216 2HA GLY 32 1HA GLY 32 17.957 1.603 -3.860 217 H GLY 33 H GLY 33 18.502 3.575 -2.028 218 1HA GLY 33 2HA GLY 33 21.448 3.678 -2.174 219 2HA GLY 33 1HA GLY 33 20.386 5.074 -2.223 220 H ASN 34 H ASN 34 19.217 2.977 0.092 221 HA ASN 34 HA ASN 34 20.301 4.649 2.209 222 1HB ASN 34 2HB ASN 34 17.842 4.071 2.036 223 2HB ASN 34 1HB ASN 34 18.278 2.424 2.487 224 1HD2 ASN 34 1HD2 ASN 34 16.855 4.907 3.733 225 2HD2 ASN 34 2HD2 ASN 34 17.455 4.901 5.353 226 H GLY 35 H GLY 35 20.115 1.191 1.385 227 1HA GLY 35 2HA GLY 35 22.651 0.468 2.080 228 2HA GLY 35 1HA GLY 35 21.781 0.434 3.605 229 H PHE 36 H PHE 36 22.876 -1.503 1.281 230 HA PHE 36 HA PHE 36 22.526 -3.695 0.808 231 1HB PHE 36 2HB PHE 36 21.093 -3.273 3.246 232 2HB PHE 36 1HB PHE 36 20.156 -4.357 2.234 233 HD1 PHE 36 1HD PHE 36 22.083 -5.975 0.872 234 HD2 PHE 36 2HD PHE 36 22.194 -4.472 4.853 235 HE1 PHE 36 1HE PHE 36 23.567 -7.824 1.526 236 HE2 PHE 36 2HE PHE 36 23.678 -6.320 5.513 237 HZ PHE 36 HZ PHE 36 24.367 -7.998 3.848 238 H TRP 37 H TRP 37 19.948 -5.050 0.602 239 HA TRP 37 HA TRP 37 18.347 -3.484 -1.241 240 1HB TRP 37 2HB TRP 37 20.316 -5.496 -2.139 241 2HB TRP 37 1HB TRP 37 18.702 -5.709 -2.802 242 HD1 TRP 37 HD TRP 37 17.901 -2.697 -3.322 243 HE1 TRP 37 1HE TRP 37 19.105 -1.351 -5.159 244 HE3 TRP 37 3HE TRP 37 22.173 -5.475 -3.694 245 HZ2 TRP 37 2HZ TRP 37 21.545 -1.459 -6.581 246 HZ3 TRP 37 3HZ TRP 37 23.892 -4.791 -5.316 247 HH2 TRP 37 HH TRP 37 23.583 -2.824 -6.729 Start of MODEL 4 1 HA LYS 1 HA LYS 1 -7.237 -5.818 8.214 2 1HB LYS 1 2HB LYS 1 -8.032 -6.567 5.907 3 2HB LYS 1 1HB LYS 1 -9.155 -6.809 7.236 4 1HG LYS 1 2HG LYS 1 -10.081 -4.480 6.486 5 2HG LYS 1 1HG LYS 1 -9.291 -4.891 4.963 6 1HD LYS 1 2HD LYS 1 -11.293 -6.646 6.383 7 2HD LYS 1 1HD LYS 1 -11.680 -5.552 5.054 8 1HE LYS 1 2HE LYS 1 -9.447 -7.218 4.352 9 2HE LYS 1 1HE LYS 1 -10.806 -8.209 4.884 10 1HZ LYS 1 1HZ LYS 1 -12.197 -6.858 3.314 11 2HZ LYS 1 2HZ LYS 1 -11.070 -7.884 2.580 12 3HZ LYS 1 3HZ LYS 1 -10.759 -6.224 2.686 13 H TYR 2 H TYR 2 -5.289 -4.822 7.944 14 HA TYR 2 HA TYR 2 -4.959 -2.723 6.009 15 1HB TYR 2 2HB TYR 2 -3.595 -3.464 8.293 16 2HB TYR 2 1HB TYR 2 -2.483 -3.876 6.987 17 HD1 TYR 2 1HD TYR 2 -4.614 -1.166 8.251 18 HD2 TYR 2 2HD TYR 2 -1.203 -2.206 5.973 19 HE1 TYR 2 1HE TYR 2 -3.997 1.218 8.096 20 HE2 TYR 2 2HE TYR 2 -0.577 0.146 5.779 21 HH TYR 2 HH TYR 2 -2.354 2.560 6.095 22 H TYR 3 H TYR 3 -3.901 -2.828 4.071 23 HA TYR 3 HA TYR 3 -3.486 -5.527 2.987 24 1HB TYR 3 2HB TYR 3 -4.435 -2.944 1.936 25 2HB TYR 3 1HB TYR 3 -3.434 -3.878 0.820 26 HD1 TYR 3 1HD TYR 3 -6.228 -4.423 3.214 27 HD2 TYR 3 2HD TYR 3 -4.567 -5.308 -0.584 28 HE1 TYR 3 1HE TYR 3 -8.152 -5.886 2.734 29 HE2 TYR 3 2HE TYR 3 -6.487 -6.776 -1.090 30 HH TYR 3 HH TYR 3 -9.306 -6.845 0.893 31 H GLY 4 H GLY 4 -1.494 -4.212 4.671 32 1HA GLY 4 2HA GLY 4 0.728 -3.594 4.704 33 2HA GLY 4 1HA GLY 4 0.879 -4.890 3.524 34 H ASN 5 H ASN 5 -1.033 -2.123 2.732 35 HA ASN 5 HA ASN 5 1.121 -0.769 1.322 36 1HB ASN 5 2HB ASN 5 -1.092 -2.300 0.027 37 2HB ASN 5 1HB ASN 5 -0.646 -0.755 -0.692 38 1HD2 ASN 5 1HD2 ASN 5 0.103 -4.042 -0.418 39 2HD2 ASN 5 2HD2 ASN 5 1.603 -4.024 -1.276 40 H GLY 6 H GLY 6 -0.394 -0.069 3.592 41 1HA GLY 6 2HA GLY 6 -1.727 1.600 4.435 42 2HA GLY 6 1HA GLY 6 -1.215 2.514 3.026 43 H VAL 7 H VAL 7 -3.211 -0.421 3.302 44 HA VAL 7 HA VAL 7 -5.519 1.088 2.324 45 HB VAL 7 HB VAL 7 -4.416 -1.347 0.929 46 1HG1 VAL 7 1HG1 VAL 7 -6.695 -1.804 1.045 47 2HG1 VAL 7 2HG1 VAL 7 -6.529 -0.959 -0.496 48 3HG1 VAL 7 3HG1 VAL 7 -7.131 -0.098 0.925 49 1HG2 VAL 7 1HG2 VAL 7 -4.075 -0.020 -0.884 50 2HG2 VAL 7 2HG2 VAL 7 -3.805 1.166 0.395 51 3HG2 VAL 7 3HG2 VAL 7 -5.359 1.102 -0.434 52 H HIS 8 H HIS 8 -6.922 0.753 3.897 53 HA HIS 8 HA HIS 8 -7.271 -1.982 4.887 54 1HB HIS 8 2HB HIS 8 -8.714 -0.082 6.482 55 2HB HIS 8 1HB HIS 8 -7.411 -1.158 6.969 56 HD1 HIS 8 1HD HIS 8 -7.996 1.933 7.785 57 HD2 HIS 8 2HD HIS 8 -4.998 0.443 5.327 58 HE1 HIS 8 1HE HIS 8 -6.182 3.663 7.827 59 HE2 HIS 8 2HE HIS 8 -4.403 2.777 6.276 60 H CYS 9 H CYS 9 -9.452 -2.773 5.082 61 HA CYS 9 HA CYS 9 -11.334 -1.244 3.431 62 1HB CYS 9 2HB CYS 9 -10.318 -3.782 2.902 63 2HB CYS 9 1HB CYS 9 -11.953 -4.061 3.487 64 H THR 10 H THR 10 -11.966 -0.252 5.378 65 HA THR 10 HA THR 10 -13.371 -1.928 7.305 66 HB THR 10 HB THR 10 -13.086 -0.259 8.833 67 HG1 THR 10 1HG THR 10 -13.257 1.677 6.773 68 1HG2 THR 10 1HG2 THR 10 -11.112 0.792 6.820 69 2HG2 THR 10 2HG2 THR 10 -10.817 -0.568 7.905 70 3HG2 THR 10 3HG2 THR 10 -11.087 1.046 8.564 71 H LYS 11 H LYS 11 -15.473 -2.009 7.581 72 HA LYS 11 HA LYS 11 -17.695 -1.551 7.452 73 1HB LYS 11 2HB LYS 11 -16.800 0.824 5.820 74 2HB LYS 11 1HB LYS 11 -18.489 0.425 6.070 75 1HG LYS 11 2HG LYS 11 -16.790 0.601 8.466 76 2HG LYS 11 1HG LYS 11 -17.139 2.100 7.607 77 1HD LYS 11 2HD LYS 11 -19.404 0.259 8.135 78 2HD LYS 11 1HD LYS 11 -18.741 1.147 9.510 79 1HE LYS 11 2HE LYS 11 -18.923 3.179 7.834 80 2HE LYS 11 1HE LYS 11 -20.149 2.154 7.088 81 1HZ LYS 11 1HZ LYS 11 -20.133 2.910 9.957 82 2HZ LYS 11 2HZ LYS 11 -21.358 2.087 9.131 83 3HZ LYS 11 3HZ LYS 11 -21.038 3.708 8.769 84 H SER 12 H SER 12 -17.087 -0.309 4.261 85 HA SER 12 HA SER 12 -17.628 -2.888 3.019 86 1HB SER 12 2HB SER 12 -19.455 -1.705 1.594 87 2HB SER 12 1HB SER 12 -19.875 -2.295 3.202 88 HG SER 12 HG SER 12 -19.689 0.291 2.252 89 H GLY 13 H GLY 13 -15.533 -0.687 3.094 90 1HA GLY 13 2HA GLY 13 -14.961 -0.779 0.259 91 2HA GLY 13 1HA GLY 13 -15.251 0.835 0.891 92 H CYS 14 H CYS 14 -12.806 0.011 -0.257 93 HA CYS 14 HA CYS 14 -11.055 -0.372 2.025 94 1HB CYS 14 2HB CYS 14 -10.601 -0.496 -0.927 95 2HB CYS 14 1HB CYS 14 -9.260 -0.365 0.200 96 H SER 15 H SER 15 -9.830 1.067 2.899 97 HA SER 15 HA SER 15 -9.895 3.795 1.783 98 1HB SER 15 2HB SER 15 -9.517 2.929 4.663 99 2HB SER 15 1HB SER 15 -9.586 4.594 4.085 100 HG SER 15 HG SER 15 -11.682 2.714 3.750 101 H VAL 16 H VAL 16 -7.925 5.056 2.924 102 HA VAL 16 HA VAL 16 -5.519 3.437 2.876 103 HB VAL 16 HB VAL 16 -5.852 5.805 1.041 104 1HG1 VAL 16 1HG1 VAL 16 -3.519 4.298 0.487 105 2HG1 VAL 16 2HG1 VAL 16 -3.538 4.617 2.219 106 3HG1 VAL 16 3HG1 VAL 16 -3.628 5.956 1.079 107 1HG2 VAL 16 1HG2 VAL 16 -5.938 2.875 0.635 108 2HG2 VAL 16 2HG2 VAL 16 -5.141 3.865 -0.594 109 3HG2 VAL 16 3HG2 VAL 16 -6.836 4.158 -0.188 110 H ASN 17 H ASN 17 -3.941 4.210 4.168 111 HA ASN 17 HA ASN 17 -4.503 6.734 5.567 112 1HB ASN 17 2HB ASN 17 -4.256 4.623 6.913 113 2HB ASN 17 1HB ASN 17 -2.580 4.543 6.373 114 1HD2 ASN 17 1HD2 ASN 17 -2.314 4.580 8.767 115 2HD2 ASN 17 2HD2 ASN 17 -2.161 6.124 9.527 116 H TRP 18 H TRP 18 -3.401 6.399 2.915 117 HA TRP 18 HA TRP 18 -1.424 6.636 1.681 118 1HB TRP 18 2HB TRP 18 -2.499 9.232 2.732 119 2HB TRP 18 1HB TRP 18 -1.176 9.201 1.562 120 HD1 TRP 18 HD TRP 18 -4.797 9.430 1.579 121 HE1 TRP 18 1HE TRP 18 -5.821 8.653 -0.643 122 HE3 TRP 18 3HE TRP 18 -0.738 7.067 -0.389 123 HZ2 TRP 18 2HZ TRP 18 -5.019 7.206 -2.925 124 HZ3 TRP 18 3HZ TRP 18 -0.945 5.999 -2.593 125 HH2 TRP 18 HH TRP 18 -3.046 6.066 -3.827 126 H GLY 19 H GLY 19 -0.899 8.748 4.547 127 1HA GLY 19 2HA GLY 19 1.831 8.944 4.338 128 2HA GLY 19 1HA GLY 19 0.990 8.872 5.887 129 H GLU 20 H GLU 20 -0.059 6.194 5.425 130 HA GLU 20 HA GLU 20 2.192 4.677 6.364 131 1HB GLU 20 2HB GLU 20 -0.675 4.349 6.272 132 2HB GLU 20 1HB GLU 20 0.109 2.894 5.664 133 1HG GLU 20 2HG GLU 20 1.187 4.041 8.161 134 2HG GLU 20 1HG GLU 20 -0.413 3.308 8.242 135 H ALA 21 H ALA 21 0.209 4.764 3.435 136 HA ALA 21 HA ALA 21 1.597 2.705 2.044 137 1HB ALA 21 1HB ALA 21 0.213 4.954 0.669 138 2HB ALA 21 2HB ALA 21 -0.728 3.818 1.634 139 3HB ALA 21 3HB ALA 21 0.224 3.236 0.267 140 H PHE 22 H PHE 22 1.929 6.165 2.362 141 HA PHE 22 HA PHE 22 3.696 6.725 0.271 142 1HB PHE 22 2HB PHE 22 2.544 8.414 1.710 143 2HB PHE 22 1HB PHE 22 3.620 7.973 3.033 144 HD1 PHE 22 1HD PHE 22 6.105 8.350 2.734 145 HD2 PHE 22 2HD PHE 22 3.180 9.980 0.105 146 HE1 PHE 22 1HE PHE 22 7.748 9.996 1.933 147 HE2 PHE 22 2HE PHE 22 4.817 11.630 -0.697 148 HZ PHE 22 HZ PHE 22 7.106 11.638 0.214 149 H SER 23 H SER 23 4.151 5.508 3.512 150 HA SER 23 HA SER 23 7.016 5.549 3.475 151 1HB SER 23 2HB SER 23 5.348 3.657 5.138 152 2HB SER 23 1HB SER 23 6.915 4.366 5.528 153 HG SER 23 HG SER 23 5.121 5.356 6.624 154 H ALA 24 H ALA 24 4.528 3.338 2.460 155 HA ALA 24 HA ALA 24 6.218 1.065 2.049 156 1HB ALA 24 1HB ALA 24 4.324 0.003 1.264 157 2HB ALA 24 2HB ALA 24 3.675 1.478 0.545 158 3HB ALA 24 3HB ALA 24 3.614 1.248 2.294 159 H GLY 25 H GLY 25 4.844 3.576 -0.017 160 1HA GLY 25 2HA GLY 25 5.938 2.618 -2.447 161 2HA GLY 25 1HA GLY 25 5.316 4.236 -2.164 162 H VAL 26 H VAL 26 7.106 4.963 -0.061 163 HA VAL 26 HA VAL 26 9.270 5.920 -1.606 164 HB VAL 26 HB VAL 26 8.969 5.791 1.409 165 1HG1 VAL 26 1HG1 VAL 26 11.299 6.005 0.877 166 2HG1 VAL 26 2HG1 VAL 26 10.702 7.581 1.395 167 3HG1 VAL 26 3HG1 VAL 26 10.957 7.253 -0.321 168 1HG2 VAL 26 1HG2 VAL 26 8.063 7.919 1.331 169 2HG2 VAL 26 2HG2 VAL 26 7.340 7.150 -0.083 170 3HG2 VAL 26 3HG2 VAL 26 8.705 8.247 -0.280 171 H HIS 27 H HIS 27 8.993 3.202 0.653 172 HA HIS 27 HA HIS 27 11.723 2.558 0.765 173 1HB HIS 27 2HB HIS 27 9.331 0.705 0.936 174 2HB HIS 27 1HB HIS 27 10.969 0.298 1.425 175 HD1 HIS 27 1HD HIS 27 10.456 3.663 2.411 176 HD2 HIS 27 2HD HIS 27 9.302 -0.028 3.921 177 HE1 HIS 27 1HE HIS 27 9.862 4.073 4.805 178 HE2 HIS 27 2HE HIS 27 9.060 1.854 5.677 179 H ARG 28 H ARG 28 9.149 1.413 -1.401 180 HA ARG 28 HA ARG 28 10.844 -0.227 -2.980 181 1HB ARG 28 2HB ARG 28 8.118 0.962 -3.486 182 2HB ARG 28 1HB ARG 28 8.919 -0.116 -4.621 183 1HG ARG 28 2HG ARG 28 9.097 -1.571 -2.355 184 2HG ARG 28 1HG ARG 28 7.591 -0.697 -2.068 185 1HD ARG 28 2HD ARG 28 6.630 -2.319 -3.276 186 2HD ARG 28 1HD ARG 28 7.317 -1.491 -4.673 187 HE ARG 28 HE ARG 28 8.673 -3.290 -4.978 188 1HH1 ARG 28 1HH1 ARG 28 7.688 -3.242 -1.628 189 2HH1 ARG 28 2HH1 ARG 28 8.489 -4.727 -1.243 190 1HH2 ARG 28 1HH2 ARG 28 9.725 -5.245 -4.470 191 2HH2 ARG 28 2HH2 ARG 28 9.645 -5.864 -2.853 192 H LEU 29 H LEU 29 9.634 3.087 -3.363 193 HA LEU 29 HA LEU 29 10.759 3.521 -5.931 194 1HB LEU 29 2HB LEU 29 9.863 5.449 -3.808 195 2HB LEU 29 1HB LEU 29 10.327 5.918 -5.433 196 HG LEU 29 HG LEU 29 7.947 4.302 -4.590 197 1HD1 LEU 29 1HD1 LEU 29 7.521 6.607 -4.442 198 2HD1 LEU 29 2HD1 LEU 29 6.822 6.095 -5.978 199 3HD1 LEU 29 3HD1 LEU 29 8.371 6.939 -5.949 200 1HD2 LEU 29 1HD2 LEU 29 9.103 4.691 -7.333 201 2HD2 LEU 29 2HD2 LEU 29 7.463 4.118 -7.023 202 3HD2 LEU 29 3HD2 LEU 29 8.851 3.170 -6.479 203 H ALA 30 H ALA 30 11.590 4.760 -2.791 204 HA ALA 30 HA ALA 30 13.950 6.079 -3.536 205 1HB ALA 30 1HB ALA 30 12.529 6.414 -1.472 206 2HB ALA 30 2HB ALA 30 14.278 6.490 -1.248 207 3HB ALA 30 3HB ALA 30 13.388 5.040 -0.780 208 H ASN 31 H ASN 31 13.451 2.712 -3.073 209 HA ASN 31 HA ASN 31 16.203 2.205 -2.321 210 1HB ASN 31 2HB ASN 31 14.326 0.765 -1.506 211 2HB ASN 31 1HB ASN 31 14.120 0.179 -3.158 212 1HD2 ASN 31 1HD2 ASN 31 15.422 -1.402 -3.886 213 2HD2 ASN 31 2HD2 ASN 31 16.712 -2.107 -2.977 214 H GLY 32 H GLY 32 14.202 2.031 -5.205 215 1HA GLY 32 2HA GLY 32 14.721 1.613 -7.411 216 2HA GLY 32 1HA GLY 32 16.192 2.493 -7.038 217 H GLY 33 H GLY 33 14.791 -0.605 -7.663 218 1HA GLY 33 2HA GLY 33 16.042 -2.376 -8.599 219 2HA GLY 33 1HA GLY 33 17.485 -1.730 -7.830 220 H ASN 34 H ASN 34 16.367 -4.435 -7.805 221 HA ASN 34 HA ASN 34 15.407 -4.861 -5.112 222 1HB ASN 34 2HB ASN 34 15.756 -6.493 -7.545 223 2HB ASN 34 1HB ASN 34 16.048 -7.355 -6.038 224 1HD2 ASN 34 1HD2 ASN 34 14.302 -8.563 -5.775 225 2HD2 ASN 34 2HD2 ASN 34 12.673 -7.989 -5.768 226 H GLY 35 H GLY 35 17.394 -3.707 -4.296 227 1HA GLY 35 2HA GLY 35 19.894 -5.136 -4.386 228 2HA GLY 35 1HA GLY 35 19.545 -3.693 -3.449 229 H PHE 36 H PHE 36 17.284 -4.757 -2.036 230 HA PHE 36 HA PHE 36 16.709 -6.069 -0.248 231 1HB PHE 36 2HB PHE 36 18.120 -7.851 -1.709 232 2HB PHE 36 1HB PHE 36 19.160 -7.741 -0.294 233 HD1 PHE 36 1HD PHE 36 17.841 -7.870 2.008 234 HD2 PHE 36 2HD PHE 36 16.471 -9.441 -1.701 235 HE1 PHE 36 1HE PHE 36 16.372 -9.430 3.216 236 HE2 PHE 36 2HE PHE 36 14.998 -11.004 -0.500 237 HZ PHE 36 HZ PHE 36 14.947 -10.999 1.963 238 H TRP 37 H TRP 37 16.871 -4.929 1.560 239 HA TRP 37 HA TRP 37 19.276 -4.964 3.119 240 1HB TRP 37 2HB TRP 37 18.782 -2.689 1.406 241 2HB TRP 37 1HB TRP 37 18.739 -2.200 3.095 242 HD1 TRP 37 HD TRP 37 21.112 -3.741 0.494 243 HE1 TRP 37 1HE TRP 37 23.531 -3.414 1.308 244 HE3 TRP 37 3HE TRP 37 20.160 -1.826 5.143 245 HZ2 TRP 37 2HZ TRP 37 24.862 -2.473 3.611 246 HZ3 TRP 37 3HZ TRP 37 22.065 -1.239 6.587 247 HH2 TRP 37 HH TRP 37 24.366 -1.557 5.836 Start of MODEL 5 1 HA LYS 1 HA LYS 1 -7.329 -5.557 7.696 2 1HB LYS 1 2HB LYS 1 -9.000 -6.545 6.427 3 2HB LYS 1 1HB LYS 1 -9.397 -5.045 5.599 4 1HG LYS 1 2HG LYS 1 -7.737 -5.297 4.038 5 2HG LYS 1 1HG LYS 1 -6.761 -6.328 5.085 6 1HD LYS 1 2HD LYS 1 -9.423 -7.203 3.986 7 2HD LYS 1 1HD LYS 1 -7.910 -7.459 3.114 8 1HE LYS 1 2HE LYS 1 -7.153 -9.015 4.607 9 2HE LYS 1 1HE LYS 1 -8.052 -8.317 5.954 10 1HZ LYS 1 1HZ LYS 1 -8.759 -10.565 4.741 11 2HZ LYS 1 2HZ LYS 1 -9.645 -9.466 3.809 12 3HZ LYS 1 3HZ LYS 1 -9.873 -9.532 5.484 13 H TYR 2 H TYR 2 -5.373 -4.423 7.749 14 HA TYR 2 HA TYR 2 -4.859 -2.365 5.813 15 1HB TYR 2 2HB TYR 2 -3.811 -2.965 8.283 16 2HB TYR 2 1HB TYR 2 -2.511 -3.419 7.179 17 HD1 TYR 2 1HD TYR 2 -4.872 -0.722 7.946 18 HD2 TYR 2 2HD TYR 2 -1.117 -1.757 6.296 19 HE1 TYR 2 1HE TYR 2 -4.320 1.663 7.731 20 HE2 TYR 2 2HE TYR 2 -0.553 0.616 6.049 21 HH TYR 2 HH TYR 2 -2.321 3.090 7.564 22 H TYR 3 H TYR 3 -3.613 -2.501 4.008 23 HA TYR 3 HA TYR 3 -2.914 -5.225 3.121 24 1HB TYR 3 2HB TYR 3 -3.898 -2.775 1.758 25 2HB TYR 3 1HB TYR 3 -2.789 -3.798 0.843 26 HD1 TYR 3 1HD TYR 3 -6.169 -3.340 1.948 27 HD2 TYR 3 2HD TYR 3 -3.391 -6.262 0.587 28 HE1 TYR 3 1HE TYR 3 -8.032 -4.849 1.399 29 HE2 TYR 3 2HE TYR 3 -5.246 -7.780 0.035 30 HH TYR 3 HH TYR 3 -8.343 -6.853 -0.304 31 H GLY 4 H GLY 4 -1.197 -3.753 4.888 32 1HA GLY 4 2HA GLY 4 0.953 -2.925 5.092 33 2HA GLY 4 1HA GLY 4 1.307 -4.229 3.967 34 H ASN 5 H ASN 5 -0.722 -1.608 2.968 35 HA ASN 5 HA ASN 5 1.458 -0.166 1.680 36 1HB ASN 5 2HB ASN 5 -0.452 -1.936 0.299 37 2HB ASN 5 1HB ASN 5 -0.342 -0.320 -0.390 38 1HD2 ASN 5 1HD2 ASN 5 0.895 -0.434 -2.113 39 2HD2 ASN 5 2HD2 ASN 5 2.428 -1.224 -2.212 40 H GLY 6 H GLY 6 -0.402 0.426 3.831 41 1HA GLY 6 2HA GLY 6 -1.788 2.128 4.515 42 2HA GLY 6 1HA GLY 6 -1.205 3.006 3.113 43 H VAL 7 H VAL 7 -3.138 0.048 3.417 44 HA VAL 7 HA VAL 7 -5.461 1.389 2.280 45 HB VAL 7 HB VAL 7 -3.980 -0.780 0.832 46 1HG1 VAL 7 1HG1 VAL 7 -6.188 -0.712 -0.581 47 2HG1 VAL 7 2HG1 VAL 7 -6.889 -0.205 0.958 48 3HG1 VAL 7 3HG1 VAL 7 -6.063 -1.760 0.835 49 1HG2 VAL 7 1HG2 VAL 7 -5.262 1.096 -0.842 50 2HG2 VAL 7 2HG2 VAL 7 -3.531 0.913 -0.547 51 3HG2 VAL 7 3HG2 VAL 7 -4.491 2.005 0.454 52 H HIS 8 H HIS 8 -6.937 0.902 3.703 53 HA HIS 8 HA HIS 8 -7.202 -1.898 4.536 54 1HB HIS 8 2HB HIS 8 -8.563 -0.442 6.454 55 2HB HIS 8 1HB HIS 8 -6.966 -1.155 6.645 56 HD1 HIS 8 1HD HIS 8 -8.467 1.822 7.443 57 HD2 HIS 8 2HD HIS 8 -5.065 0.901 5.246 58 HE1 HIS 8 1HE HIS 8 -7.076 3.918 7.466 59 HE2 HIS 8 2HE HIS 8 -4.954 3.288 6.257 60 H CYS 9 H CYS 9 -9.308 -2.698 4.772 61 HA CYS 9 HA CYS 9 -11.376 -1.032 3.543 62 1HB CYS 9 2HB CYS 9 -11.220 -3.997 3.096 63 2HB CYS 9 1HB CYS 9 -12.176 -2.803 2.229 64 H THR 10 H THR 10 -12.270 -0.497 5.466 65 HA THR 10 HA THR 10 -13.060 -2.641 7.283 66 HB THR 10 HB THR 10 -13.239 -1.059 8.968 67 HG1 THR 10 1HG THR 10 -13.717 0.821 6.915 68 1HG2 THR 10 1HG2 THR 10 -11.384 0.457 8.899 69 2HG2 THR 10 2HG2 THR 10 -11.281 0.310 7.144 70 3HG2 THR 10 3HG2 THR 10 -10.910 -1.077 8.170 71 H LYS 11 H LYS 11 -14.925 -3.532 7.153 72 HA LYS 11 HA LYS 11 -17.199 -3.735 7.196 73 1HB LYS 11 2HB LYS 11 -17.318 -0.861 6.263 74 2HB LYS 11 1HB LYS 11 -18.699 -1.858 6.670 75 1HG LYS 11 2HG LYS 11 -16.547 -1.470 8.678 76 2HG LYS 11 1HG LYS 11 -17.711 -0.181 8.385 77 1HD LYS 11 2HD LYS 11 -18.671 -2.971 8.846 78 2HD LYS 11 1HD LYS 11 -18.182 -1.980 10.221 79 1HE LYS 11 2HE LYS 11 -20.505 -1.650 9.990 80 2HE LYS 11 1HE LYS 11 -19.747 -0.204 9.323 81 1HZ LYS 11 1HZ LYS 11 -21.641 -1.358 8.030 82 2HZ LYS 11 2HZ LYS 11 -20.440 -2.447 7.547 83 3HZ LYS 11 3HZ LYS 11 -20.286 -0.803 7.181 84 H SER 12 H SER 12 -17.107 -1.462 4.515 85 HA SER 12 HA SER 12 -17.061 -3.628 2.575 86 1HB SER 12 2HB SER 12 -19.187 -2.883 1.515 87 2HB SER 12 1HB SER 12 -19.418 -3.550 3.131 88 HG SER 12 HG SER 12 -19.321 -1.282 3.848 89 H GLY 13 H GLY 13 -15.350 -1.358 3.184 90 1HA GLY 13 2HA GLY 13 -15.119 -0.323 0.496 91 2HA GLY 13 1HA GLY 13 -15.542 0.893 1.694 92 H CYS 14 H CYS 14 -13.077 0.424 0.023 93 HA CYS 14 HA CYS 14 -11.111 -0.005 2.134 94 1HB CYS 14 2HB CYS 14 -10.666 0.295 -0.824 95 2HB CYS 14 1HB CYS 14 -9.456 -0.127 0.383 96 H SER 15 H SER 15 -9.718 1.428 2.832 97 HA SER 15 HA SER 15 -9.888 4.175 1.761 98 1HB SER 15 2HB SER 15 -9.462 4.917 4.169 99 2HB SER 15 1HB SER 15 -11.069 4.277 3.827 100 HG SER 15 HG SER 15 -8.951 2.703 4.860 101 H VAL 16 H VAL 16 -7.937 5.511 2.606 102 HA VAL 16 HA VAL 16 -5.540 3.826 2.764 103 HB VAL 16 HB VAL 16 -5.770 6.211 0.924 104 1HG1 VAL 16 1HG1 VAL 16 -3.520 5.085 2.103 105 2HG1 VAL 16 2HG1 VAL 16 -3.555 6.151 0.699 106 3HG1 VAL 16 3HG1 VAL 16 -3.557 4.402 0.480 107 1HG2 VAL 16 1HG2 VAL 16 -5.181 4.189 -0.702 108 2HG2 VAL 16 2HG2 VAL 16 -6.837 4.703 -0.360 109 3HG2 VAL 16 3HG2 VAL 16 -6.139 3.323 0.505 110 H ASN 17 H ASN 17 -3.974 4.557 4.086 111 HA ASN 17 HA ASN 17 -4.474 7.092 5.480 112 1HB ASN 17 2HB ASN 17 -4.239 5.100 6.908 113 2HB ASN 17 1HB ASN 17 -2.652 4.784 6.210 114 1HD2 ASN 17 1HD2 ASN 17 -1.581 4.943 8.151 115 2HD2 ASN 17 2HD2 ASN 17 -1.369 6.442 8.985 116 H TRP 18 H TRP 18 -3.404 6.770 2.804 117 HA TRP 18 HA TRP 18 -1.465 7.040 1.543 118 1HB TRP 18 2HB TRP 18 -2.432 9.626 2.725 119 2HB TRP 18 1HB TRP 18 -1.188 9.585 1.470 120 HD1 TRP 18 HD TRP 18 -4.836 9.776 1.773 121 HE1 TRP 18 1HE TRP 18 -5.992 9.097 -0.417 122 HE3 TRP 18 3HE TRP 18 -0.870 7.621 -0.582 123 HZ2 TRP 18 2HZ TRP 18 -5.306 7.804 -2.828 124 HZ3 TRP 18 3HZ TRP 18 -1.198 6.674 -2.828 125 HH2 TRP 18 HH TRP 18 -3.378 6.754 -3.915 126 H GLY 19 H GLY 19 -0.780 9.142 4.388 127 1HA GLY 19 2HA GLY 19 1.947 9.193 4.117 128 2HA GLY 19 1HA GLY 19 1.144 9.196 5.686 129 H GLU 20 H GLU 20 -0.037 6.538 5.244 130 HA GLU 20 HA GLU 20 2.170 4.948 6.182 131 1HB GLU 20 2HB GLU 20 -0.671 4.778 6.282 132 2HB GLU 20 1HB GLU 20 -0.089 3.314 5.497 133 1HG GLU 20 2HG GLU 20 1.128 4.273 8.054 134 2HG GLU 20 1HG GLU 20 -0.364 3.334 8.049 135 H ALA 21 H ALA 21 0.149 5.088 3.286 136 HA ALA 21 HA ALA 21 1.430 2.951 1.903 137 1HB ALA 21 1HB ALA 21 0.121 3.604 0.060 138 2HB ALA 21 2HB ALA 21 0.009 5.269 0.636 139 3HB ALA 21 3HB ALA 21 -0.866 3.986 1.472 140 H PHE 22 H PHE 22 1.885 6.406 2.156 141 HA PHE 22 HA PHE 22 3.668 6.842 0.041 142 1HB PHE 22 2HB PHE 22 2.553 8.597 1.479 143 2HB PHE 22 1HB PHE 22 3.686 8.184 2.759 144 HD1 PHE 22 1HD PHE 22 3.126 10.123 -0.188 145 HD2 PHE 22 2HD PHE 22 6.155 8.489 2.312 146 HE1 PHE 22 1HE PHE 22 4.747 11.725 -1.116 147 HE2 PHE 22 2HE PHE 22 7.785 10.089 1.389 148 HZ PHE 22 HZ PHE 22 7.081 11.710 -0.326 149 H SER 23 H SER 23 4.039 5.707 3.315 150 HA SER 23 HA SER 23 6.890 5.624 3.360 151 1HB SER 23 2HB SER 23 5.768 5.622 5.471 152 2HB SER 23 1HB SER 23 4.771 4.240 5.016 153 HG SER 23 HG SER 23 7.074 4.195 6.269 154 H ALA 24 H ALA 24 4.365 3.488 2.283 155 HA ALA 24 HA ALA 24 6.011 1.161 2.000 156 1HB ALA 24 1HB ALA 24 3.486 1.546 0.457 157 2HB ALA 24 2HB ALA 24 3.410 1.391 2.213 158 3HB ALA 24 3HB ALA 24 4.112 0.095 1.242 159 H GLY 25 H GLY 25 4.657 3.551 -0.256 160 1HA GLY 25 2HA GLY 25 5.861 2.450 -2.572 161 2HA GLY 25 1HA GLY 25 5.216 4.075 -2.426 162 H VAL 26 H VAL 26 6.963 4.853 -0.226 163 HA VAL 26 HA VAL 26 9.170 5.787 -1.746 164 HB VAL 26 HB VAL 26 8.757 5.765 1.253 165 1HG1 VAL 26 1HG1 VAL 26 10.528 7.619 1.118 166 2HG1 VAL 26 2HG1 VAL 26 10.933 6.927 -0.453 167 3HG1 VAL 26 3HG1 VAL 26 11.076 5.946 1.007 168 1HG2 VAL 26 1HG2 VAL 26 7.311 7.150 -0.484 169 2HG2 VAL 26 2HG2 VAL 26 8.702 8.231 -0.397 170 3HG2 VAL 26 3HG2 VAL 26 7.807 7.825 1.067 171 H HIS 27 H HIS 27 8.782 3.161 0.596 172 HA HIS 27 HA HIS 27 11.513 2.468 0.765 173 1HB HIS 27 2HB HIS 27 9.061 0.713 1.084 174 2HB HIS 27 1HB HIS 27 10.692 0.273 1.572 175 HD1 HIS 27 1HD HIS 27 10.309 3.711 2.350 176 HD2 HIS 27 2HD HIS 27 9.077 0.160 4.114 177 HE1 HIS 27 1HE HIS 27 9.788 4.286 4.728 178 HE2 HIS 27 2HE HIS 27 9.155 2.107 5.813 179 H ARG 28 H ARG 28 8.871 1.084 -1.169 180 HA ARG 28 HA ARG 28 10.469 -0.651 -2.705 181 1HB ARG 28 2HB ARG 28 8.115 -1.029 -2.596 182 2HB ARG 28 1HB ARG 28 7.758 0.596 -3.158 183 1HG ARG 28 2HG ARG 28 7.307 -0.830 -4.964 184 2HG ARG 28 1HG ARG 28 8.847 -0.058 -5.342 185 1HD ARG 28 2HD ARG 28 8.895 -2.649 -3.886 186 2HD ARG 28 1HD ARG 28 8.489 -2.671 -5.601 187 HE ARG 28 HE ARG 28 11.058 -2.078 -4.420 188 1HH1 ARG 28 1HH1 ARG 28 9.051 -1.839 -7.267 189 2HH1 ARG 28 2HH1 ARG 28 10.391 -1.653 -8.347 190 1HH2 ARG 28 1HH2 ARG 28 12.819 -1.832 -5.840 191 2HH2 ARG 28 2HH2 ARG 28 12.530 -1.649 -7.538 192 H LEU 29 H LEU 29 9.524 2.709 -3.117 193 HA LEU 29 HA LEU 29 10.496 3.000 -5.778 194 1HB LEU 29 2HB LEU 29 8.800 4.480 -4.955 195 2HB LEU 29 1HB LEU 29 9.810 4.974 -3.613 196 HG LEU 29 HG LEU 29 9.549 6.626 -5.500 197 1HD1 LEU 29 1HD1 LEU 29 11.510 6.344 -3.755 198 2HD1 LEU 29 2HD1 LEU 29 11.548 7.574 -5.020 199 3HD1 LEU 29 3HD1 LEU 29 12.440 6.065 -5.228 200 1HD2 LEU 29 1HD2 LEU 29 10.636 6.334 -7.539 201 2HD2 LEU 29 2HD2 LEU 29 9.868 4.773 -7.246 202 3HD2 LEU 29 3HD2 LEU 29 11.593 4.980 -6.939 203 H ALA 30 H ALA 30 11.625 4.346 -2.744 204 HA ALA 30 HA ALA 30 14.097 5.268 -3.691 205 1HB ALA 30 1HB ALA 30 13.706 4.647 -0.814 206 2HB ALA 30 2HB ALA 30 12.654 5.839 -1.578 207 3HB ALA 30 3HB ALA 30 14.405 6.076 -1.579 208 H ASN 31 H ASN 31 13.177 2.097 -2.553 209 HA ASN 31 HA ASN 31 15.890 1.349 -1.907 210 1HB ASN 31 2HB ASN 31 13.818 0.337 -0.824 211 2HB ASN 31 1HB ASN 31 13.585 -0.558 -2.325 212 1HD2 ASN 31 1HD2 ASN 31 15.356 -1.959 -3.009 213 2HD2 ASN 31 2HD2 ASN 31 16.323 -2.727 -1.801 214 H GLY 32 H GLY 32 16.594 2.165 -4.090 215 1HA GLY 32 2HA GLY 32 15.967 0.846 -6.477 216 2HA GLY 32 1HA GLY 32 17.466 1.708 -6.162 217 H GLY 33 H GLY 33 18.456 0.139 -4.059 218 1HA GLY 33 2HA GLY 33 18.986 -2.186 -3.610 219 2HA GLY 33 1HA GLY 33 18.773 -2.510 -5.325 220 H ASN 34 H ASN 34 21.018 -2.186 -2.964 221 HA ASN 34 HA ASN 34 23.159 -1.921 -4.900 222 1HB ASN 34 2HB ASN 34 22.597 0.410 -4.001 223 2HB ASN 34 1HB ASN 34 23.228 -0.155 -2.457 224 1HD2 ASN 34 1HD2 ASN 34 23.977 1.310 -5.346 225 2HD2 ASN 34 2HD2 ASN 34 25.697 1.148 -5.292 226 H GLY 35 H GLY 35 22.320 -2.221 -1.462 227 1HA GLY 35 2HA GLY 35 22.907 -3.969 -0.032 228 2HA GLY 35 1HA GLY 35 23.988 -4.590 -1.270 229 H PHE 36 H PHE 36 24.256 -3.953 1.685 230 HA PHE 36 HA PHE 36 26.948 -2.982 1.540 231 1HB PHE 36 2HB PHE 36 25.291 -0.925 1.607 232 2HB PHE 36 1HB PHE 36 25.214 -1.315 3.322 233 HD1 PHE 36 1HD PHE 36 27.173 -1.064 4.741 234 HD2 PHE 36 2HD PHE 36 27.290 -0.036 0.613 235 HE1 PHE 36 1HE PHE 36 29.267 0.171 5.113 236 HE2 PHE 36 2HE PHE 36 29.385 1.201 0.978 237 HZ PHE 36 HZ PHE 36 30.376 1.305 3.229 238 H TRP 37 H TRP 37 25.627 -5.354 2.426 239 HA TRP 37 HA TRP 37 25.491 -5.354 5.291 240 1HB TRP 37 2HB TRP 37 25.460 -7.534 3.207 241 2HB TRP 37 1HB TRP 37 25.451 -7.892 4.931 242 HD1 TRP 37 HD TRP 37 23.338 -6.287 6.226 243 HE1 TRP 37 1HE TRP 37 20.873 -6.255 5.487 244 HE3 TRP 37 3HE TRP 37 23.909 -7.932 1.419 245 HZ2 TRP 37 2HZ TRP 37 19.369 -6.849 3.173 246 HZ3 TRP 37 3HZ TRP 37 21.906 -8.174 0.009 247 HH2 TRP 37 HH TRP 37 19.684 -7.644 0.870 Start of MODEL 6 1 HA LYS 1 HA LYS 1 -7.388 -6.148 6.992 2 1HB LYS 1 2HB LYS 1 -8.011 -7.141 4.840 3 2HB LYS 1 1HB LYS 1 -9.393 -7.097 5.928 4 1HG LYS 1 2HG LYS 1 -10.243 -5.123 4.766 5 2HG LYS 1 1HG LYS 1 -8.851 -5.166 3.682 6 1HD LYS 1 2HD LYS 1 -10.786 -6.182 2.615 7 2HD LYS 1 1HD LYS 1 -9.530 -7.386 2.899 8 1HE LYS 1 2HE LYS 1 -10.711 -8.370 4.662 9 2HE LYS 1 1HE LYS 1 -11.763 -6.970 4.859 10 1HZ LYS 1 1HZ LYS 1 -12.089 -9.247 3.178 11 2HZ LYS 1 2HZ LYS 1 -12.185 -7.815 2.285 12 3HZ LYS 1 3HZ LYS 1 -13.216 -8.059 3.602 13 H TYR 2 H TYR 2 -5.442 -5.213 6.633 14 HA TYR 2 HA TYR 2 -5.199 -3.026 4.758 15 1HB TYR 2 2HB TYR 2 -3.842 -3.779 7.041 16 2HB TYR 2 1HB TYR 2 -2.697 -4.068 5.737 17 HD1 TYR 2 1HD TYR 2 -4.859 -1.584 7.284 18 HD2 TYR 2 2HD TYR 2 -1.664 -2.291 4.623 19 HE1 TYR 2 1HE TYR 2 -4.370 0.835 7.256 20 HE2 TYR 2 2HE TYR 2 -1.168 0.092 4.538 21 HH TYR 2 HH TYR 2 -2.647 2.355 6.723 22 H TYR 3 H TYR 3 -4.110 -3.118 2.791 23 HA TYR 3 HA TYR 3 -3.544 -5.836 1.802 24 1HB TYR 3 2HB TYR 3 -4.505 -3.326 0.480 25 2HB TYR 3 1HB TYR 3 -3.650 -4.531 -0.477 26 HD1 TYR 3 1HD TYR 3 -4.592 -6.859 -0.628 27 HD2 TYR 3 2HD TYR 3 -6.769 -3.646 1.107 28 HE1 TYR 3 1HE TYR 3 -6.675 -8.140 -0.881 29 HE2 TYR 3 2HE TYR 3 -8.858 -4.908 0.850 30 HH TYR 3 HH TYR 3 -9.383 -7.229 -1.074 31 H GLY 4 H GLY 4 -1.570 -4.647 3.371 32 1HA GLY 4 2HA GLY 4 0.627 -3.920 3.375 33 2HA GLY 4 1HA GLY 4 0.757 -5.077 2.056 34 H ASN 5 H ASN 5 -1.235 -2.243 1.694 35 HA ASN 5 HA ASN 5 0.864 -0.780 0.289 36 1HB ASN 5 2HB ASN 5 -1.035 -2.397 -1.078 37 2HB ASN 5 1HB ASN 5 -1.484 -0.718 -1.363 38 1HD2 ASN 5 1HD2 ASN 5 -0.301 0.485 -2.727 39 2HD2 ASN 5 2HD2 ASN 5 1.112 -0.073 -3.552 40 H GLY 6 H GLY 6 -0.744 -0.384 2.735 41 1HA GLY 6 2HA GLY 6 -1.596 1.534 3.754 42 2HA GLY 6 1HA GLY 6 -1.539 2.327 2.197 43 H VAL 7 H VAL 7 -3.098 -0.246 1.299 44 HA VAL 7 HA VAL 7 -5.707 1.005 1.587 45 HB VAL 7 HB VAL 7 -4.705 -1.223 -0.172 46 1HG1 VAL 7 1HG1 VAL 7 -6.811 -2.036 0.110 47 2HG1 VAL 7 2HG1 VAL 7 -7.159 -0.819 -1.121 48 3HG1 VAL 7 3HG1 VAL 7 -7.457 -0.464 0.581 49 1HG2 VAL 7 1HG2 VAL 7 -4.947 0.264 -1.933 50 2HG2 VAL 7 2HG2 VAL 7 -4.383 1.319 -0.637 51 3HG2 VAL 7 3HG2 VAL 7 -6.097 1.269 -1.050 52 H HIS 8 H HIS 8 -7.294 0.348 2.822 53 HA HIS 8 HA HIS 8 -7.362 -2.415 3.743 54 1HB HIS 8 2HB HIS 8 -8.247 -1.158 5.990 55 2HB HIS 8 1HB HIS 8 -6.606 -1.759 5.772 56 HD1 HIS 8 1HD HIS 8 -8.096 1.044 7.085 57 HD2 HIS 8 2HD HIS 8 -5.175 0.522 4.187 58 HE1 HIS 8 1HE HIS 8 -6.856 3.221 6.994 59 HE2 HIS 8 2HE HIS 8 -4.927 2.774 5.444 60 H CYS 9 H CYS 9 -9.333 -3.261 3.525 61 HA CYS 9 HA CYS 9 -11.544 -1.387 3.135 62 1HB CYS 9 2HB CYS 9 -10.735 -3.375 1.468 63 2HB CYS 9 1HB CYS 9 -12.002 -4.189 2.385 64 H THR 10 H THR 10 -12.042 -1.065 5.249 65 HA THR 10 HA THR 10 -12.774 -3.379 6.880 66 HB THR 10 HB THR 10 -11.425 -1.970 8.145 67 HG1 THR 10 1HG THR 10 -12.831 -0.949 9.651 68 1HG2 THR 10 1HG2 THR 10 -12.235 0.570 8.306 69 2HG2 THR 10 2HG2 THR 10 -12.675 0.222 6.634 70 3HG2 THR 10 3HG2 THR 10 -11.009 0.010 7.169 71 H LYS 11 H LYS 11 -14.623 -2.296 8.553 72 HA LYS 11 HA LYS 11 -17.007 -2.794 7.238 73 1HB LYS 11 2HB LYS 11 -18.087 -2.134 9.262 74 2HB LYS 11 1HB LYS 11 -16.567 -2.911 9.689 75 1HG LYS 11 2HG LYS 11 -15.610 -0.531 9.783 76 2HG LYS 11 1HG LYS 11 -17.296 -0.012 9.832 77 1HD LYS 11 2HD LYS 11 -17.512 -1.744 11.752 78 2HD LYS 11 1HD LYS 11 -15.752 -1.626 11.827 79 1HE LYS 11 2HE LYS 11 -15.889 0.279 12.959 80 2HE LYS 11 1HE LYS 11 -16.875 1.003 11.690 81 1HZ LYS 11 1HZ LYS 11 -17.766 0.665 14.136 82 2HZ LYS 11 2HZ LYS 11 -18.195 -0.851 13.519 83 3HZ LYS 11 3HZ LYS 11 -18.788 0.557 12.792 84 H SER 12 H SER 12 -15.162 0.108 7.357 85 HA SER 12 HA SER 12 -17.418 1.741 6.479 86 1HB SER 12 2HB SER 12 -15.900 3.638 6.693 87 2HB SER 12 1HB SER 12 -15.838 2.665 8.162 88 HG SER 12 HG SER 12 -13.787 3.406 6.943 89 H GLY 13 H GLY 13 -15.901 -0.472 4.940 90 1HA GLY 13 2HA GLY 13 -15.824 -0.753 2.612 91 2HA GLY 13 1HA GLY 13 -15.815 0.995 2.423 92 H CYS 14 H CYS 14 -14.065 0.758 0.920 93 HA CYS 14 HA CYS 14 -11.530 -0.164 2.012 94 1HB CYS 14 2HB CYS 14 -12.398 0.676 -0.729 95 2HB CYS 14 1HB CYS 14 -10.703 0.495 -0.311 96 H SER 15 H SER 15 -9.972 1.124 2.745 97 HA SER 15 HA SER 15 -9.958 3.935 2.001 98 1HB SER 15 2HB SER 15 -9.795 3.528 4.929 99 2HB SER 15 1HB SER 15 -10.526 4.842 4.009 100 HG SER 15 HG SER 15 -12.293 3.857 4.655 101 H VAL 16 H VAL 16 -7.957 4.194 1.357 102 HA VAL 16 HA VAL 16 -5.767 2.828 2.700 103 HB VAL 16 HB VAL 16 -5.686 2.580 0.361 104 1HG1 VAL 16 1HG1 VAL 16 -7.175 4.042 -0.480 105 2HG1 VAL 16 2HG1 VAL 16 -5.641 4.643 -1.113 106 3HG1 VAL 16 3HG1 VAL 16 -6.396 5.426 0.279 107 1HG2 VAL 16 1HG2 VAL 16 -3.477 3.078 1.217 108 2HG2 VAL 16 2HG2 VAL 16 -3.786 4.794 1.045 109 3HG2 VAL 16 3HG2 VAL 16 -3.666 3.773 -0.391 110 H ASN 17 H ASN 17 -4.791 3.876 4.298 111 HA ASN 17 HA ASN 17 -5.147 6.513 5.037 112 1HB ASN 17 2HB ASN 17 -4.198 4.854 6.553 113 2HB ASN 17 1HB ASN 17 -2.758 4.736 5.547 114 1HD2 ASN 17 1HD2 ASN 17 -3.849 5.941 8.328 115 2HD2 ASN 17 2HD2 ASN 17 -2.822 7.319 8.504 116 H TRP 18 H TRP 18 -3.087 5.150 2.640 117 HA TRP 18 HA TRP 18 -1.807 6.044 1.018 118 1HB TRP 18 2HB TRP 18 -3.271 8.501 1.921 119 2HB TRP 18 1HB TRP 18 -1.956 8.632 0.745 120 HD1 TRP 18 HD TRP 18 -5.578 7.805 0.950 121 HE1 TRP 18 1HE TRP 18 -6.399 6.820 -1.265 122 HE3 TRP 18 3HE TRP 18 -1.070 7.007 -1.287 123 HZ2 TRP 18 2HZ TRP 18 -5.293 5.783 -3.617 124 HZ3 TRP 18 3HZ TRP 18 -1.041 5.988 -3.525 125 HH2 TRP 18 HH TRP 18 -3.114 5.386 -4.650 126 H GLY 19 H GLY 19 -1.551 8.250 3.850 127 1HA GLY 19 2HA GLY 19 1.179 8.777 3.566 128 2HA GLY 19 1HA GLY 19 0.326 8.741 5.112 129 H GLU 20 H GLU 20 -0.527 5.954 4.617 130 HA GLU 20 HA GLU 20 1.700 4.603 5.805 131 1HB GLU 20 2HB GLU 20 -1.107 4.196 5.571 132 2HB GLU 20 1HB GLU 20 -0.320 2.778 4.883 133 1HG GLU 20 2HG GLU 20 0.655 3.777 7.499 134 2HG GLU 20 1HG GLU 20 -0.907 2.961 7.449 135 H ALA 21 H ALA 21 0.019 4.547 2.687 136 HA ALA 21 HA ALA 21 1.676 2.532 1.515 137 1HB ALA 21 1HB ALA 21 -0.045 4.634 0.220 138 2HB ALA 21 2HB ALA 21 -0.571 3.016 0.682 139 3HB ALA 21 3HB ALA 21 0.637 3.222 -0.585 140 H PHE 22 H PHE 22 1.690 6.024 1.692 141 HA PHE 22 HA PHE 22 3.667 6.599 -0.219 142 1HB PHE 22 2HB PHE 22 2.215 8.287 0.914 143 2HB PHE 22 1HB PHE 22 3.111 8.010 2.404 144 HD1 PHE 22 1HD PHE 22 2.905 9.918 -0.573 145 HD2 PHE 22 2HD PHE 22 5.649 8.433 2.318 146 HE1 PHE 22 1HE PHE 22 4.535 11.634 -1.244 147 HE2 PHE 22 2HE PHE 22 7.284 10.147 1.654 148 HZ PHE 22 HZ PHE 22 6.728 11.751 -0.129 149 H SER 23 H SER 23 3.726 5.585 3.113 150 HA SER 23 HA SER 23 6.535 5.866 3.529 151 1HB SER 23 2HB SER 23 4.239 4.779 5.003 152 2HB SER 23 1HB SER 23 5.731 3.879 5.274 153 HG SER 23 HG SER 23 5.599 6.700 5.458 154 H ALA 24 H ALA 24 4.444 3.426 2.203 155 HA ALA 24 HA ALA 24 6.384 1.314 2.165 156 1HB ALA 24 1HB ALA 24 4.039 1.360 0.326 157 2HB ALA 24 2HB ALA 24 3.759 1.238 2.063 158 3HB ALA 24 3HB ALA 24 4.728 0.015 1.238 159 H GLY 25 H GLY 25 5.009 3.498 -0.275 160 1HA GLY 25 2HA GLY 25 6.543 2.574 -2.447 161 2HA GLY 25 1HA GLY 25 5.766 4.148 -2.338 162 H VAL 26 H VAL 26 7.196 4.989 0.037 163 HA VAL 26 HA VAL 26 9.492 6.110 -1.211 164 HB VAL 26 HB VAL 26 8.714 6.035 1.719 165 1HG1 VAL 26 1HG1 VAL 26 10.993 6.455 1.814 166 2HG1 VAL 26 2HG1 VAL 26 10.312 8.080 1.733 167 3HG1 VAL 26 3HG1 VAL 26 10.995 7.337 0.286 168 1HG2 VAL 26 1HG2 VAL 26 8.644 8.547 0.188 169 2HG2 VAL 26 2HG2 VAL 26 7.528 7.919 1.399 170 3HG2 VAL 26 3HG2 VAL 26 7.437 7.343 -0.265 171 H HIS 27 H HIS 27 9.024 3.436 1.069 172 HA HIS 27 HA HIS 27 11.761 2.999 1.596 173 1HB HIS 27 2HB HIS 27 9.527 0.953 1.578 174 2HB HIS 27 1HB HIS 27 11.084 0.789 2.378 175 HD1 HIS 27 1HD HIS 27 10.645 4.012 3.207 176 HD2 HIS 27 2HD HIS 27 8.466 0.636 4.257 177 HE1 HIS 27 1HE HIS 27 9.459 4.612 5.326 178 HE2 HIS 27 2HE HIS 27 8.141 2.562 5.955 179 H ARG 28 H ARG 28 9.556 1.468 -0.741 180 HA ARG 28 HA ARG 28 11.562 -0.087 -2.001 181 1HB ARG 28 2HB ARG 28 8.854 0.829 -2.989 182 2HB ARG 28 1HB ARG 28 9.862 -0.355 -3.811 183 1HG ARG 28 2HG ARG 28 9.769 -1.528 -1.437 184 2HG ARG 28 1HG ARG 28 8.265 -0.611 -1.328 185 1HD ARG 28 2HD ARG 28 8.968 -2.400 -3.649 186 2HD ARG 28 1HD ARG 28 8.043 -2.940 -2.248 187 HE ARG 28 HE ARG 28 6.965 -0.599 -3.529 188 1HH1 ARG 28 1HH1 ARG 28 7.012 -4.089 -3.502 189 2HH1 ARG 28 2HH1 ARG 28 5.467 -4.240 -4.270 190 1HH2 ARG 28 1HH2 ARG 28 4.932 -0.798 -4.539 191 2HH2 ARG 28 2HH2 ARG 28 4.286 -2.374 -4.859 192 H LEU 29 H LEU 29 10.224 3.118 -2.629 193 HA LEU 29 HA LEU 29 11.564 3.499 -5.111 194 1HB LEU 29 2HB LEU 29 9.558 4.717 -4.684 195 2HB LEU 29 1HB LEU 29 10.224 5.405 -3.215 196 HG LEU 29 HG LEU 29 11.742 6.787 -4.462 197 1HD1 LEU 29 1HD1 LEU 29 10.656 5.589 -7.000 198 2HD1 LEU 29 2HD1 LEU 29 12.165 5.072 -6.247 199 3HD1 LEU 29 3HD1 LEU 29 11.990 6.731 -6.823 200 1HD2 LEU 29 1HD2 LEU 29 10.222 8.279 -5.435 201 2HD2 LEU 29 2HD2 LEU 29 9.284 7.410 -4.221 202 3HD2 LEU 29 3HD2 LEU 29 9.130 6.984 -5.926 203 H ALA 30 H ALA 30 12.127 4.714 -1.859 204 HA ALA 30 HA ALA 30 14.443 6.199 -2.494 205 1HB ALA 30 1HB ALA 30 14.634 6.573 -0.141 206 2HB ALA 30 2HB ALA 30 13.597 5.189 0.210 207 3HB ALA 30 3HB ALA 30 12.924 6.617 -0.577 208 H ASN 31 H ASN 31 13.995 2.852 -1.490 209 HA ASN 31 HA ASN 31 16.792 2.522 -0.857 210 1HB ASN 31 2HB ASN 31 14.665 1.186 0.030 211 2HB ASN 31 1HB ASN 31 15.054 0.145 -1.339 212 1HD2 ASN 31 1HD2 ASN 31 16.606 1.772 1.403 213 2HD2 ASN 31 2HD2 ASN 31 17.689 0.479 1.780 214 H GLY 32 H GLY 32 17.062 3.538 -3.174 215 1HA GLY 32 2HA GLY 32 17.097 1.440 -5.227 216 2HA GLY 32 1HA GLY 32 17.296 3.162 -5.508 217 H GLY 33 H GLY 33 18.889 0.400 -3.942 218 1HA GLY 33 2HA GLY 33 21.319 0.658 -5.255 219 2HA GLY 33 1HA GLY 33 21.443 1.630 -3.796 220 H ASN 34 H ASN 34 19.819 -0.015 -2.136 221 HA ASN 34 HA ASN 34 21.757 -2.097 -1.546 222 1HB ASN 34 2HB ASN 34 19.448 -0.873 -0.065 223 2HB ASN 34 1HB ASN 34 20.108 -2.419 0.458 224 1HD2 ASN 34 1HD2 ASN 34 20.783 0.972 -0.011 225 2HD2 ASN 34 2HD2 ASN 34 22.168 1.039 1.019 226 H GLY 35 H GLY 35 18.255 -1.836 -2.107 227 1HA GLY 35 2HA GLY 35 17.983 -4.719 -2.292 228 2HA GLY 35 1HA GLY 35 16.699 -3.532 -2.472 229 H PHE 36 H PHE 36 15.882 -4.542 -4.327 230 HA PHE 36 HA PHE 36 17.541 -4.997 -6.624 231 1HB PHE 36 2HB PHE 36 15.471 -5.619 -7.748 232 2HB PHE 36 1HB PHE 36 15.565 -6.385 -6.165 233 HD1 PHE 36 1HD PHE 36 14.063 -3.566 -8.009 234 HD2 PHE 36 2HD PHE 36 13.898 -6.052 -4.568 235 HE1 PHE 36 1HE PHE 36 11.862 -2.613 -7.436 236 HE2 PHE 36 2HE PHE 36 11.698 -5.110 -3.980 237 HZ PHE 36 HZ PHE 36 10.677 -3.386 -5.417 238 H TRP 37 H TRP 37 17.884 -3.723 -8.349 239 HA TRP 37 HA TRP 37 17.197 -0.943 -8.162 240 1HB TRP 37 2HB TRP 37 18.367 -0.860 -10.437 241 2HB TRP 37 1HB TRP 37 19.338 -1.378 -9.061 242 HD1 TRP 37 HD TRP 37 16.980 -3.478 -11.323 243 HE1 TRP 37 1HE TRP 37 18.333 -5.464 -12.242 244 HE3 TRP 37 3HE TRP 37 21.551 -2.335 -9.338 245 HZ2 TRP 37 2HZ TRP 37 20.987 -6.420 -12.141 246 HZ3 TRP 37 3HZ TRP 37 23.445 -3.837 -9.798 247 HH2 TRP 37 HH TRP 37 23.167 -5.837 -11.170 Start of MODEL 7 1 HA LYS 1 HA LYS 1 -6.944 -5.464 7.484 2 1HB LYS 1 2HB LYS 1 -7.739 -6.664 5.484 3 2HB LYS 1 1HB LYS 1 -9.040 -6.393 6.636 4 1HG LYS 1 2HG LYS 1 -9.736 -4.430 5.267 5 2HG LYS 1 1HG LYS 1 -8.536 -4.914 4.066 6 1HD LYS 1 2HD LYS 1 -10.502 -5.885 3.282 7 2HD LYS 1 1HD LYS 1 -9.702 -7.207 4.137 8 1HE LYS 1 2HE LYS 1 -11.183 -6.020 6.117 9 2HE LYS 1 1HE LYS 1 -12.230 -5.854 4.708 10 1HZ LYS 1 1HZ LYS 1 -11.740 -8.320 4.354 11 2HZ LYS 1 2HZ LYS 1 -12.797 -7.902 5.606 12 3HZ LYS 1 3HZ LYS 1 -11.197 -8.321 5.956 13 H TYR 2 H TYR 2 -4.919 -4.832 6.904 14 HA TYR 2 HA TYR 2 -4.522 -2.863 4.850 15 1HB TYR 2 2HB TYR 2 -3.070 -3.664 7.030 16 2HB TYR 2 1HB TYR 2 -2.150 -4.326 5.678 17 HD1 TYR 2 1HD TYR 2 -3.487 -1.324 7.186 18 HD2 TYR 2 2HD TYR 2 -1.029 -2.868 4.129 19 HE1 TYR 2 1HE TYR 2 -2.557 0.918 6.826 20 HE2 TYR 2 2HE TYR 2 -0.098 -0.651 3.723 21 HH TYR 2 HH TYR 2 0.221 1.437 4.930 22 H TYR 3 H TYR 3 -3.884 -3.230 2.767 23 HA TYR 3 HA TYR 3 -3.881 -6.032 1.899 24 1HB TYR 3 2HB TYR 3 -4.519 -3.425 0.628 25 2HB TYR 3 1HB TYR 3 -3.894 -4.696 -0.423 26 HD1 TYR 3 1HD TYR 3 -5.117 -6.882 -0.544 27 HD2 TYR 3 2HD TYR 3 -6.743 -3.489 1.440 28 HE1 TYR 3 1HE TYR 3 -7.351 -7.901 -0.645 29 HE2 TYR 3 2HE TYR 3 -8.983 -4.491 1.335 30 HH TYR 3 HH TYR 3 -10.009 -6.514 -0.506 31 H GLY 4 H GLY 4 -1.854 -3.196 2.001 32 1HA GLY 4 2HA GLY 4 0.578 -3.987 2.201 33 2HA GLY 4 1HA GLY 4 0.277 -4.664 0.601 34 H ASN 5 H ASN 5 -1.480 -2.374 -0.066 35 HA ASN 5 HA ASN 5 0.640 -0.438 -0.720 36 1HB ASN 5 2HB ASN 5 -1.760 -1.455 -2.162 37 2HB ASN 5 1HB ASN 5 -1.345 0.240 -2.397 38 1HD2 ASN 5 1HD2 ASN 5 -0.690 0.093 -4.475 39 2HD2 ASN 5 2HD2 ASN 5 0.703 -0.791 -4.986 40 H GLY 6 H GLY 6 -0.274 -0.148 1.798 41 1HA GLY 6 2HA GLY 6 -1.343 1.285 3.233 42 2HA GLY 6 1HA GLY 6 -1.182 2.461 1.953 43 H VAL 7 H VAL 7 -2.994 -0.454 1.472 44 HA VAL 7 HA VAL 7 -5.464 1.160 1.407 45 HB VAL 7 HB VAL 7 -4.700 -1.320 -0.134 46 1HG1 VAL 7 1HG1 VAL 7 -6.882 -1.843 0.405 47 2HG1 VAL 7 2HG1 VAL 7 -7.098 -0.917 -1.083 48 3HG1 VAL 7 3HG1 VAL 7 -7.364 -0.148 0.486 49 1HG2 VAL 7 1HG2 VAL 7 -4.344 1.281 -0.767 50 2HG2 VAL 7 2HG2 VAL 7 -5.963 1.005 -1.412 51 3HG2 VAL 7 3HG2 VAL 7 -4.613 0.007 -1.956 52 H HIS 8 H HIS 8 -6.588 0.904 3.240 53 HA HIS 8 HA HIS 8 -6.797 -1.824 4.291 54 1HB HIS 8 2HB HIS 8 -7.771 0.103 6.187 55 2HB HIS 8 1HB HIS 8 -6.484 -1.078 6.371 56 HD1 HIS 8 1HD HIS 8 -6.691 2.042 7.312 57 HD2 HIS 8 2HD HIS 8 -4.302 0.369 4.354 58 HE1 HIS 8 1HE HIS 8 -4.766 3.619 7.043 59 HE2 HIS 8 2HE HIS 8 -3.267 2.531 5.332 60 H CYS 9 H CYS 9 -8.790 -2.647 4.819 61 HA CYS 9 HA CYS 9 -11.070 -1.104 3.817 62 1HB CYS 9 2HB CYS 9 -10.187 -3.508 2.862 63 2HB CYS 9 1HB CYS 9 -11.416 -4.015 4.018 64 H THR 10 H THR 10 -11.180 -0.144 5.874 65 HA THR 10 HA THR 10 -11.887 -1.857 8.119 66 HB THR 10 HB THR 10 -11.363 -0.104 9.513 67 HG1 THR 10 1HG THR 10 -12.172 1.615 7.418 68 1HG2 THR 10 1HG2 THR 10 -9.451 1.128 8.752 69 2HG2 THR 10 2HG2 THR 10 -9.867 0.813 7.068 70 3HG2 THR 10 3HG2 THR 10 -9.362 -0.514 8.114 71 H LYS 11 H LYS 11 -13.800 -2.102 8.967 72 HA LYS 11 HA LYS 11 -15.983 -1.791 9.509 73 1HB LYS 11 2HB LYS 11 -15.925 0.617 7.678 74 2HB LYS 11 1HB LYS 11 -17.252 0.160 8.730 75 1HG LYS 11 2HG LYS 11 -14.828 0.319 10.234 76 2HG LYS 11 1HG LYS 11 -15.071 1.801 9.309 77 1HD LYS 11 2HD LYS 11 -16.386 2.412 11.026 78 2HD LYS 11 1HD LYS 11 -17.575 1.336 10.291 79 1HE LYS 11 2HE LYS 11 -17.595 0.280 12.261 80 2HE LYS 11 1HE LYS 11 -16.037 -0.388 11.773 81 1HZ LYS 11 1HZ LYS 11 -16.550 1.953 13.511 82 2HZ LYS 11 2HZ LYS 11 -15.033 1.649 12.828 83 3HZ LYS 11 3HZ LYS 11 -15.718 0.530 13.894 84 H SER 12 H SER 12 -16.341 -0.481 6.277 85 HA SER 12 HA SER 12 -17.083 -3.071 5.199 86 1HB SER 12 2HB SER 12 -19.059 -1.306 6.228 87 2HB SER 12 1HB SER 12 -19.220 -1.342 4.474 88 HG SER 12 HG SER 12 -18.972 -3.703 6.007 89 H GLY 13 H GLY 13 -15.138 -0.804 4.717 90 1HA GLY 13 2HA GLY 13 -15.434 -0.806 1.834 91 2HA GLY 13 1HA GLY 13 -15.563 0.778 2.583 92 H CYS 14 H CYS 14 -13.562 -0.129 0.700 93 HA CYS 14 HA CYS 14 -11.154 -0.301 2.330 94 1HB CYS 14 2HB CYS 14 -11.462 -0.474 -0.657 95 2HB CYS 14 1HB CYS 14 -9.959 -0.673 0.232 96 H SER 15 H SER 15 -9.697 1.216 2.557 97 HA SER 15 HA SER 15 -9.928 3.675 0.987 98 1HB SER 15 2HB SER 15 -9.478 4.064 3.896 99 2HB SER 15 1HB SER 15 -10.361 5.069 2.748 100 HG SER 15 HG SER 15 -11.315 3.249 4.463 101 H VAL 16 H VAL 16 -8.043 5.165 1.489 102 HA VAL 16 HA VAL 16 -5.636 3.576 2.101 103 HB VAL 16 HB VAL 16 -5.802 5.746 0.012 104 1HG1 VAL 16 1HG1 VAL 16 -3.577 4.128 -0.420 105 2HG1 VAL 16 2HG1 VAL 16 -3.618 4.393 1.323 106 3HG1 VAL 16 3HG1 VAL 16 -3.594 5.767 0.223 107 1HG2 VAL 16 1HG2 VAL 16 -6.058 2.801 -0.161 108 2HG2 VAL 16 2HG2 VAL 16 -5.225 3.673 -1.456 109 3HG2 VAL 16 3HG2 VAL 16 -6.904 4.067 -1.065 110 H ASN 17 H ASN 17 -4.567 4.355 3.782 111 HA ASN 17 HA ASN 17 -5.130 6.882 4.946 112 1HB ASN 17 2HB ASN 17 -3.706 4.587 5.702 113 2HB ASN 17 1HB ASN 17 -2.514 5.881 5.680 114 1HD2 ASN 17 1HD2 ASN 17 -3.280 4.571 8.001 115 2HD2 ASN 17 2HD2 ASN 17 -4.104 5.690 9.028 116 H TRP 18 H TRP 18 -3.162 5.894 2.361 117 HA TRP 18 HA TRP 18 -1.776 6.952 0.942 118 1HB TRP 18 2HB TRP 18 -3.088 9.327 2.255 119 2HB TRP 18 1HB TRP 18 -1.892 9.508 0.965 120 HD1 TRP 18 HD TRP 18 -5.508 9.111 1.413 121 HE1 TRP 18 1HE TRP 18 -6.640 8.392 -0.780 122 HE3 TRP 18 3HE TRP 18 -1.370 7.754 -1.195 123 HZ2 TRP 18 2HZ TRP 18 -5.866 7.370 -3.289 124 HZ3 TRP 18 3HZ TRP 18 -1.634 6.909 -3.494 125 HH2 TRP 18 HH TRP 18 -3.845 6.705 -4.503 126 H GLY 19 H GLY 19 -1.479 8.830 3.994 127 1HA GLY 19 2HA GLY 19 1.295 9.182 3.707 128 2HA GLY 19 1HA GLY 19 0.422 9.231 5.245 129 H GLU 20 H GLU 20 -0.639 6.509 4.847 130 HA GLU 20 HA GLU 20 1.550 5.036 5.986 131 1HB GLU 20 2HB GLU 20 -1.299 4.300 5.264 132 2HB GLU 20 1HB GLU 20 -0.151 3.115 5.878 133 1HG GLU 20 2HG GLU 20 0.106 5.071 7.728 134 2HG GLU 20 1HG GLU 20 -1.589 5.248 7.284 135 H ALA 21 H ALA 21 -0.229 5.122 2.942 136 HA ALA 21 HA ALA 21 1.139 2.945 1.696 137 1HB ALA 21 1HB ALA 21 -0.073 3.492 -0.190 138 2HB ALA 21 2HB ALA 21 -0.038 5.220 0.168 139 3HB ALA 21 3HB ALA 21 -1.099 4.152 1.085 140 H PHE 22 H PHE 22 1.563 6.419 1.879 141 HA PHE 22 HA PHE 22 3.569 6.754 -0.052 142 1HB PHE 22 2HB PHE 22 2.320 8.599 1.096 143 2HB PHE 22 1HB PHE 22 3.232 8.251 2.562 144 HD1 PHE 22 1HD PHE 22 5.744 8.514 2.501 145 HD2 PHE 22 2HD PHE 22 3.188 9.990 -0.563 146 HE1 PHE 22 1HE PHE 22 7.532 10.022 1.742 147 HE2 PHE 22 2HE PHE 22 4.971 11.501 -1.331 148 HZ PHE 22 HZ PHE 22 7.148 11.519 -0.176 149 H SER 23 H SER 23 3.573 5.779 3.298 150 HA SER 23 HA SER 23 6.400 5.755 3.673 151 1HB SER 23 2HB SER 23 4.690 5.717 5.530 152 2HB SER 23 1HB SER 23 4.357 4.037 5.110 153 HG SER 23 HG SER 23 5.870 3.972 6.701 154 H ALA 24 H ALA 24 4.054 3.565 2.342 155 HA ALA 24 HA ALA 24 5.745 1.259 2.235 156 1HB ALA 24 1HB ALA 24 3.447 1.637 0.373 157 2HB ALA 24 2HB ALA 24 3.125 1.489 2.102 158 3HB ALA 24 3HB ALA 24 3.961 0.191 1.244 159 H GLY 25 H GLY 25 4.648 3.682 -0.119 160 1HA GLY 25 2HA GLY 25 6.083 2.686 -2.325 161 2HA GLY 25 1HA GLY 25 5.521 4.341 -2.137 162 H VAL 26 H VAL 26 7.027 4.840 0.296 163 HA VAL 26 HA VAL 26 9.467 5.721 -0.876 164 HB VAL 26 HB VAL 26 8.710 5.571 2.056 165 1HG1 VAL 26 1HG1 VAL 26 10.442 7.433 2.210 166 2HG1 VAL 26 2HG1 VAL 26 10.990 6.903 0.620 167 3HG1 VAL 26 3HG1 VAL 26 11.051 5.792 1.989 168 1HG2 VAL 26 1HG2 VAL 26 7.580 7.492 1.844 169 2HG2 VAL 26 2HG2 VAL 26 7.510 7.083 0.131 170 3HG2 VAL 26 3HG2 VAL 26 8.759 8.177 0.725 171 H HIS 27 H HIS 27 8.608 2.981 1.190 172 HA HIS 27 HA HIS 27 11.234 2.171 1.806 173 1HB HIS 27 2HB HIS 27 8.761 0.450 1.481 174 2HB HIS 27 1HB HIS 27 10.247 -0.030 2.291 175 HD1 HIS 27 1HD HIS 27 10.057 3.215 3.380 176 HD2 HIS 27 2HD HIS 27 7.740 -0.135 4.191 177 HE1 HIS 27 1HE HIS 27 8.919 3.698 5.553 178 HE2 HIS 27 2HE HIS 27 7.446 1.703 5.987 179 H ARG 28 H ARG 28 9.083 1.436 -0.891 180 HA ARG 28 HA ARG 28 10.882 -0.372 -2.184 181 1HB ARG 28 2HB ARG 28 8.329 1.001 -2.958 182 2HB ARG 28 1HB ARG 28 9.277 0.158 -4.173 183 1HG ARG 28 2HG ARG 28 8.789 -1.400 -1.746 184 2HG ARG 28 1HG ARG 28 7.331 -0.962 -2.639 185 1HD ARG 28 2HD ARG 28 8.363 -3.150 -3.301 186 2HD ARG 28 1HD ARG 28 8.135 -2.003 -4.621 187 HE ARG 28 HE ARG 28 10.667 -1.513 -3.847 188 1HH1 ARG 28 1HH1 ARG 28 8.980 -4.461 -4.652 189 2HH1 ARG 28 2HH1 ARG 28 10.398 -5.257 -5.244 190 1HH2 ARG 28 1HH2 ARG 28 12.532 -2.559 -4.626 191 2HH2 ARG 28 2HH2 ARG 28 12.415 -4.178 -5.229 192 H LEU 29 H LEU 29 10.015 3.035 -2.620 193 HA LEU 29 HA LEU 29 11.657 3.454 -4.896 194 1HB LEU 29 2HB LEU 29 9.819 4.898 -4.620 195 2HB LEU 29 1HB LEU 29 10.268 5.284 -2.972 196 HG LEU 29 HG LEU 29 12.147 6.604 -3.737 197 1HD1 LEU 29 1HD1 LEU 29 12.844 6.800 -5.940 198 2HD1 LEU 29 2HD1 LEU 29 11.326 6.176 -6.582 199 3HD1 LEU 29 3HD1 LEU 29 12.466 5.084 -5.798 200 1HD2 LEU 29 1HD2 LEU 29 9.577 7.230 -5.180 201 2HD2 LEU 29 2HD2 LEU 29 10.916 8.361 -4.978 202 3HD2 LEU 29 3HD2 LEU 29 10.048 7.760 -3.565 203 H ALA 30 H ALA 30 12.032 4.217 -1.484 204 HA ALA 30 HA ALA 30 14.579 5.443 -1.752 205 1HB ALA 30 1HB ALA 30 13.621 4.307 0.829 206 2HB ALA 30 2HB ALA 30 12.750 5.653 0.093 207 3HB ALA 30 3HB ALA 30 14.457 5.828 0.507 208 H ASN 31 H ASN 31 13.834 2.270 -2.177 209 HA ASN 31 HA ASN 31 15.988 1.097 -0.670 210 1HB ASN 31 2HB ASN 31 13.749 -0.011 -1.441 211 2HB ASN 31 1HB ASN 31 14.617 -0.293 -2.948 212 1HD2 ASN 31 1HD2 ASN 31 14.742 -0.831 0.532 213 2HD2 ASN 31 2HD2 ASN 31 15.664 -2.291 0.456 214 H GLY 32 H GLY 32 15.514 2.394 -3.858 215 1HA GLY 32 2HA GLY 32 18.301 2.470 -4.386 216 2HA GLY 32 1HA GLY 32 17.551 1.158 -5.285 217 H GLY 33 H GLY 33 16.139 1.625 -6.981 218 1HA GLY 33 2HA GLY 33 15.148 4.181 -7.613 219 2HA GLY 33 1HA GLY 33 16.681 3.959 -8.447 220 H ASN 34 H ASN 34 13.492 2.485 -7.973 221 HA ASN 34 HA ASN 34 13.377 1.844 -10.799 222 1HB ASN 34 2HB ASN 34 14.479 -0.135 -9.797 223 2HB ASN 34 1HB ASN 34 13.110 -0.328 -8.706 224 1HD2 ASN 34 1HD2 ASN 34 13.623 0.174 -12.185 225 2HD2 ASN 34 2HD2 ASN 34 12.529 -1.062 -12.696 226 H GLY 35 H GLY 35 11.909 3.721 -9.466 227 1HA GLY 35 2HA GLY 35 9.219 2.599 -9.727 228 2HA GLY 35 1HA GLY 35 9.621 3.359 -8.194 229 H PHE 36 H PHE 36 11.056 4.652 -11.056 230 HA PHE 36 HA PHE 36 9.710 7.166 -10.644 231 1HB PHE 36 2HB PHE 36 11.996 6.187 -12.242 232 2HB PHE 36 1HB PHE 36 11.094 7.516 -12.964 233 HD1 PHE 36 1HD PHE 36 13.110 6.471 -10.079 234 HD2 PHE 36 2HD PHE 36 11.173 9.714 -12.039 235 HE1 PHE 36 1HE PHE 36 14.295 8.056 -8.618 236 HE2 PHE 36 2HE PHE 36 12.356 11.306 -10.583 237 HZ PHE 36 HZ PHE 36 13.919 10.477 -8.869 238 H TRP 37 H TRP 37 9.004 8.344 -12.771 239 HA TRP 37 HA TRP 37 7.267 8.575 -14.239 240 1HB TRP 37 2HB TRP 37 9.108 7.388 -15.559 241 2HB TRP 37 1HB TRP 37 8.168 5.916 -15.342 242 HD1 TRP 37 HD TRP 37 6.868 9.446 -16.288 243 HE1 TRP 37 1HE TRP 37 5.586 9.245 -18.511 244 HE3 TRP 37 3HE TRP 37 7.716 4.502 -17.272 245 HZ2 TRP 37 2HZ TRP 37 5.011 7.255 -20.428 246 HZ3 TRP 37 3HZ TRP 37 6.766 3.527 -19.321 247 HH2 TRP 37 HH TRP 37 5.442 4.876 -20.866 Start of MODEL 8 1 HA LYS 1 HA LYS 1 -7.035 -6.145 6.697 2 1HB LYS 1 2HB LYS 1 -8.736 -7.257 5.657 3 2HB LYS 1 1HB LYS 1 -9.392 -5.796 4.938 4 1HG LYS 1 2HG LYS 1 -8.258 -6.070 3.020 5 2HG LYS 1 1HG LYS 1 -6.813 -6.666 3.831 6 1HD LYS 1 2HD LYS 1 -7.470 -8.584 2.774 7 2HD LYS 1 1HD LYS 1 -8.364 -8.761 4.285 8 1HE LYS 1 2HE LYS 1 -10.017 -7.239 2.626 9 2HE LYS 1 1HE LYS 1 -9.345 -8.494 1.586 10 1HZ LYS 1 1HZ LYS 1 -11.491 -8.950 2.934 11 2HZ LYS 1 2HZ LYS 1 -10.425 -9.227 4.219 12 3HZ LYS 1 3HZ LYS 1 -10.310 -10.156 2.810 13 H TYR 2 H TYR 2 -5.031 -5.313 6.352 14 HA TYR 2 HA TYR 2 -4.532 -3.176 4.531 15 1HB TYR 2 2HB TYR 2 -3.260 -4.124 6.717 16 2HB TYR 2 1HB TYR 2 -2.269 -4.821 5.433 17 HD1 TYR 2 1HD TYR 2 -0.808 -3.457 4.156 18 HD2 TYR 2 2HD TYR 2 -3.640 -1.713 6.761 19 HE1 TYR 2 1HE TYR 2 0.293 -1.303 3.879 20 HE2 TYR 2 2HE TYR 2 -2.531 0.464 6.518 21 HH TYR 2 HH TYR 2 0.510 0.841 5.359 22 H TYR 3 H TYR 3 -3.773 -3.283 2.494 23 HA TYR 3 HA TYR 3 -3.391 -5.953 1.298 24 1HB TYR 3 2HB TYR 3 -4.440 -3.352 0.268 25 2HB TYR 3 1HB TYR 3 -3.652 -4.441 -0.870 26 HD1 TYR 3 1HD TYR 3 -6.610 -3.821 1.138 27 HD2 TYR 3 2HD TYR 3 -4.607 -6.701 -1.267 28 HE1 TYR 3 1HE TYR 3 -8.695 -5.106 0.956 29 HE2 TYR 3 2HE TYR 3 -6.689 -7.998 -1.455 30 HH TYR 3 HH TYR 3 -9.244 -7.420 -1.278 31 H GLY 4 H GLY 4 -1.308 -4.840 2.795 32 1HA GLY 4 2HA GLY 4 0.891 -4.179 2.705 33 2HA GLY 4 1HA GLY 4 0.926 -5.204 1.277 34 H ASN 5 H ASN 5 -1.117 -2.408 1.199 35 HA ASN 5 HA ASN 5 0.914 -0.740 -0.053 36 1HB ASN 5 2HB ASN 5 -1.282 -2.099 -1.518 37 2HB ASN 5 1HB ASN 5 -1.008 -0.405 -1.915 38 1HD2 ASN 5 1HD2 ASN 5 0.278 -3.615 -1.995 39 2HD2 ASN 5 2HD2 ASN 5 1.597 -3.283 -3.059 40 H GLY 6 H GLY 6 -0.239 -0.255 2.361 41 1HA GLY 6 2HA GLY 6 -1.506 1.275 3.534 42 2HA GLY 6 1HA GLY 6 -1.223 2.317 2.159 43 H VAL 7 H VAL 7 -2.920 -0.687 1.818 44 HA VAL 7 HA VAL 7 -5.437 0.837 1.475 45 HB VAL 7 HB VAL 7 -4.431 -1.508 -0.123 46 1HG1 VAL 7 1HG1 VAL 7 -7.183 -0.625 0.498 47 2HG1 VAL 7 2HG1 VAL 7 -6.576 -2.241 0.132 48 3HG1 VAL 7 3HG1 VAL 7 -6.846 -1.083 -1.172 49 1HG2 VAL 7 1HG2 VAL 7 -5.773 0.769 -1.385 50 2HG2 VAL 7 2HG2 VAL 7 -4.292 -0.070 -1.848 51 3HG2 VAL 7 3HG2 VAL 7 -4.248 1.161 -0.587 52 H HIS 8 H HIS 8 -6.601 0.473 3.242 53 HA HIS 8 HA HIS 8 -6.757 -2.285 4.197 54 1HB HIS 8 2HB HIS 8 -7.949 -0.328 5.986 55 2HB HIS 8 1HB HIS 8 -6.728 -1.551 6.320 56 HD1 HIS 8 1HD HIS 8 -6.801 1.489 7.323 57 HD2 HIS 8 2HD HIS 8 -4.425 -0.097 4.307 58 HE1 HIS 8 1HE HIS 8 -4.836 3.033 7.143 59 HE2 HIS 8 2HE HIS 8 -3.367 2.021 5.363 60 H CYS 9 H CYS 9 -8.788 -3.186 4.684 61 HA CYS 9 HA CYS 9 -10.991 -1.757 3.411 62 1HB CYS 9 2HB CYS 9 -10.013 -4.154 2.631 63 2HB CYS 9 1HB CYS 9 -11.315 -4.653 3.711 64 H THR 10 H THR 10 -10.920 -0.781 5.563 65 HA THR 10 HA THR 10 -12.629 -2.294 7.420 66 HB THR 10 HB THR 10 -10.588 -1.994 8.569 67 HG1 THR 10 1HG THR 10 -11.862 0.331 9.460 68 1HG2 THR 10 1HG2 THR 10 -9.222 -0.111 8.620 69 2HG2 THR 10 2HG2 THR 10 -10.494 0.945 8.005 70 3HG2 THR 10 3HG2 THR 10 -9.724 -0.223 6.935 71 H LYS 11 H LYS 11 -13.803 -0.688 8.930 72 HA LYS 11 HA LYS 11 -15.773 0.530 8.830 73 1HB LYS 11 2HB LYS 11 -13.468 1.981 9.295 74 2HB LYS 11 1HB LYS 11 -14.327 2.955 8.111 75 1HG LYS 11 2HG LYS 11 -16.273 3.045 9.529 76 2HG LYS 11 1HG LYS 11 -15.513 1.955 10.690 77 1HD LYS 11 2HD LYS 11 -13.992 4.391 10.001 78 2HD LYS 11 1HD LYS 11 -15.478 4.636 10.919 79 1HE LYS 11 2HE LYS 11 -13.705 2.470 11.858 80 2HE LYS 11 1HE LYS 11 -13.092 4.112 12.049 81 1HZ LYS 11 1HZ LYS 11 -15.827 3.463 12.922 82 2HZ LYS 11 2HZ LYS 11 -14.785 4.673 13.480 83 3HZ LYS 11 3HZ LYS 11 -14.514 3.059 13.910 84 H SER 12 H SER 12 -17.132 0.098 7.216 85 HA SER 12 HA SER 12 -18.449 0.641 5.421 86 1HB SER 12 2HB SER 12 -16.829 2.927 5.576 87 2HB SER 12 1HB SER 12 -16.759 2.399 3.898 88 HG SER 12 HG SER 12 -18.716 3.091 3.657 89 H GLY 13 H GLY 13 -14.964 0.396 4.640 90 1HA GLY 13 2HA GLY 13 -15.150 -2.003 3.284 91 2HA GLY 13 1HA GLY 13 -15.449 -0.765 2.077 92 H CYS 14 H CYS 14 -13.675 -0.742 0.861 93 HA CYS 14 HA CYS 14 -11.040 -0.899 2.089 94 1HB CYS 14 2HB CYS 14 -12.010 -1.072 -0.726 95 2HB CYS 14 1HB CYS 14 -10.315 -0.801 -0.358 96 H SER 15 H SER 15 -9.736 0.670 2.402 97 HA SER 15 HA SER 15 -10.083 3.194 0.968 98 1HB SER 15 2HB SER 15 -10.111 4.533 2.972 99 2HB SER 15 1HB SER 15 -11.390 3.329 3.117 100 HG SER 15 HG SER 15 -10.410 3.045 4.987 101 H VAL 16 H VAL 16 -8.254 4.749 1.721 102 HA VAL 16 HA VAL 16 -5.784 3.215 2.181 103 HB VAL 16 HB VAL 16 -6.064 5.458 0.175 104 1HG1 VAL 16 1HG1 VAL 16 -3.737 4.042 -0.329 105 2HG1 VAL 16 2HG1 VAL 16 -3.795 4.168 1.425 106 3HG1 VAL 16 3HG1 VAL 16 -3.862 5.619 0.435 107 1HG2 VAL 16 1HG2 VAL 16 -6.164 2.519 -0.103 108 2HG2 VAL 16 2HG2 VAL 16 -5.321 3.455 -1.347 109 3HG2 VAL 16 3HG2 VAL 16 -7.024 3.777 -0.996 110 H ASN 17 H ASN 17 -4.687 3.989 3.862 111 HA ASN 17 HA ASN 17 -5.389 6.465 5.101 112 1HB ASN 17 2HB ASN 17 -3.785 4.160 5.762 113 2HB ASN 17 1HB ASN 17 -2.867 5.632 6.075 114 1HD2 ASN 17 1HD2 ASN 17 -3.045 6.288 8.072 115 2HD2 ASN 17 2HD2 ASN 17 -4.447 6.163 9.073 116 H TRP 18 H TRP 18 -3.422 5.595 2.524 117 HA TRP 18 HA TRP 18 -1.982 6.665 1.173 118 1HB TRP 18 2HB TRP 18 -3.309 8.999 2.531 119 2HB TRP 18 1HB TRP 18 -2.079 9.222 1.282 120 HD1 TRP 18 HD TRP 18 -5.707 8.858 1.605 121 HE1 TRP 18 1HE TRP 18 -6.780 8.227 -0.638 122 HE3 TRP 18 3HE TRP 18 -1.509 7.503 -0.921 123 HZ2 TRP 18 2HZ TRP 18 -5.955 7.265 -3.143 124 HZ3 TRP 18 3HZ TRP 18 -1.732 6.723 -3.248 125 HH2 TRP 18 HH TRP 18 -3.918 6.592 -4.320 126 H GLY 19 H GLY 19 -1.714 8.467 4.278 127 1HA GLY 19 2HA GLY 19 1.049 8.850 4.045 128 2HA GLY 19 1HA GLY 19 0.171 8.792 5.576 129 H GLU 20 H GLU 20 -0.825 6.071 4.978 130 HA GLU 20 HA GLU 20 1.361 4.577 6.096 131 1HB GLU 20 2HB GLU 20 -1.499 4.093 5.493 132 2HB GLU 20 1HB GLU 20 -0.470 2.678 5.372 133 1HG GLU 20 2HG GLU 20 -0.236 4.388 7.787 134 2HG GLU 20 1HG GLU 20 -1.643 3.337 7.625 135 H ALA 21 H ALA 21 -0.310 4.803 3.005 136 HA ALA 21 HA ALA 21 1.176 2.768 1.666 137 1HB ALA 21 1HB ALA 21 0.068 3.504 -0.278 138 2HB ALA 21 2HB ALA 21 -0.176 5.122 0.386 139 3HB ALA 21 3HB ALA 21 -1.084 3.757 1.032 140 H PHE 22 H PHE 22 1.496 6.222 2.139 141 HA PHE 22 HA PHE 22 3.495 6.797 0.259 142 1HB PHE 22 2HB PHE 22 2.219 8.501 1.570 143 2HB PHE 22 1HB PHE 22 3.108 8.013 3.009 144 HD1 PHE 22 1HD PHE 22 3.085 10.104 0.113 145 HD2 PHE 22 2HD PHE 22 5.635 8.288 2.995 146 HE1 PHE 22 1HE PHE 22 4.866 11.703 -0.459 147 HE2 PHE 22 2HE PHE 22 7.421 9.883 2.427 148 HZ PHE 22 HZ PHE 22 7.036 11.593 0.697 149 H SER 23 H SER 23 3.514 5.492 3.486 150 HA SER 23 HA SER 23 6.337 5.501 3.879 151 1HB SER 23 2HB SER 23 4.430 5.176 5.626 152 2HB SER 23 1HB SER 23 4.493 3.481 5.142 153 HG SER 23 HG SER 23 5.942 3.557 6.731 154 H ALA 24 H ALA 24 4.035 3.357 2.390 155 HA ALA 24 HA ALA 24 5.792 1.121 2.073 156 1HB ALA 24 1HB ALA 24 3.426 1.642 0.316 157 2HB ALA 24 2HB ALA 24 3.199 1.215 2.012 158 3HB ALA 24 3HB ALA 24 4.041 0.106 0.929 159 H GLY 25 H GLY 25 4.664 3.737 -0.032 160 1HA GLY 25 2HA GLY 25 6.098 2.935 -2.336 161 2HA GLY 25 1HA GLY 25 5.453 4.542 -2.032 162 H VAL 26 H VAL 26 6.980 4.899 0.444 163 HA VAL 26 HA VAL 26 9.341 6.017 -0.694 164 HB VAL 26 HB VAL 26 8.620 5.568 2.220 165 1HG1 VAL 26 1HG1 VAL 26 10.356 7.458 2.494 166 2HG1 VAL 26 2HG1 VAL 26 10.929 6.951 0.905 167 3HG1 VAL 26 3HG1 VAL 26 10.934 5.809 2.249 168 1HG2 VAL 26 1HG2 VAL 26 7.427 7.264 0.444 169 2HG2 VAL 26 2HG2 VAL 26 8.676 8.292 1.147 170 3HG2 VAL 26 3HG2 VAL 26 7.493 7.504 2.189 171 H HIS 27 H HIS 27 8.645 3.058 1.104 172 HA HIS 27 HA HIS 27 11.312 2.292 1.578 173 1HB HIS 27 2HB HIS 27 8.859 0.563 1.145 174 2HB HIS 27 1HB HIS 27 10.392 -0.005 1.796 175 HD1 HIS 27 1HD HIS 27 9.870 3.233 3.138 176 HD2 HIS 27 2HD HIS 27 8.392 -0.554 3.982 177 HE1 HIS 27 1HE HIS 27 8.966 3.370 5.465 178 HE2 HIS 27 2HE HIS 27 7.995 1.097 5.935 179 H ARG 28 H ARG 28 9.087 1.529 -1.083 180 HA ARG 28 HA ARG 28 10.971 0.028 -2.587 181 1HB ARG 28 2HB ARG 28 8.335 1.327 -3.224 182 2HB ARG 28 1HB ARG 28 9.292 0.557 -4.482 183 1HG ARG 28 2HG ARG 28 8.985 -1.160 -2.173 184 2HG ARG 28 1HG ARG 28 7.429 -0.653 -2.832 185 1HD ARG 28 2HD ARG 28 8.403 -2.774 -3.798 186 2HD ARG 28 1HD ARG 28 7.933 -1.537 -4.964 187 HE ARG 28 HE ARG 28 10.685 -1.350 -4.203 188 1HH1 ARG 28 1HH1 ARG 28 8.443 -3.006 -6.303 189 2HH1 ARG 28 2HH1 ARG 28 9.645 -3.393 -7.487 190 1HH2 ARG 28 1HH2 ARG 28 12.267 -1.857 -5.760 191 2HH2 ARG 28 2HH2 ARG 28 11.817 -2.742 -7.179 192 H LEU 29 H LEU 29 9.918 3.403 -2.670 193 HA LEU 29 HA LEU 29 11.419 4.116 -4.968 194 1HB LEU 29 2HB LEU 29 9.521 5.423 -4.430 195 2HB LEU 29 1HB LEU 29 10.095 5.710 -2.799 196 HG LEU 29 HG LEU 29 11.867 7.149 -3.635 197 1HD1 LEU 29 1HD1 LEU 29 12.052 7.717 -5.984 198 2HD1 LEU 29 2HD1 LEU 29 10.727 6.622 -6.378 199 3HD1 LEU 29 3HD1 LEU 29 12.251 5.979 -5.766 200 1HD2 LEU 29 1HD2 LEU 29 9.082 7.734 -4.589 201 2HD2 LEU 29 2HD2 LEU 29 10.391 8.910 -4.714 202 3HD2 LEU 29 3HD2 LEU 29 9.892 8.310 -3.133 203 H ALA 30 H ALA 30 11.959 4.519 -1.521 204 HA ALA 30 HA ALA 30 14.403 5.931 -1.774 205 1HB ALA 30 1HB ALA 30 12.791 5.915 0.183 206 2HB ALA 30 2HB ALA 30 14.513 5.855 0.567 207 3HB ALA 30 3HB ALA 30 13.537 4.385 0.645 208 H ASN 31 H ASN 31 13.621 2.508 -1.476 209 HA ASN 31 HA ASN 31 16.379 1.783 -1.022 210 1HB ASN 31 2HB ASN 31 14.190 0.539 -0.246 211 2HB ASN 31 1HB ASN 31 14.316 -0.228 -1.828 212 1HD2 ASN 31 1HD2 ASN 31 14.583 -1.364 0.841 213 2HD2 ASN 31 2HD2 ASN 31 16.147 -2.093 0.898 214 H GLY 32 H GLY 32 14.295 2.239 -3.733 215 1HA GLY 32 2HA GLY 32 16.516 1.596 -5.515 216 2HA GLY 32 1HA GLY 32 15.031 0.685 -5.749 217 H GLY 33 H GLY 33 13.580 1.500 -7.116 218 1HA GLY 33 2HA GLY 33 12.408 3.014 -8.392 219 2HA GLY 33 1HA GLY 33 13.018 4.281 -7.338 220 H ASN 34 H ASN 34 15.460 4.722 -7.693 221 HA ASN 34 HA ASN 34 16.311 4.382 -10.448 222 1HB ASN 34 2HB ASN 34 15.304 6.940 -9.342 223 2HB ASN 34 1HB ASN 34 16.790 7.033 -10.281 224 1HD2 ASN 34 1HD2 ASN 34 14.260 8.161 -10.954 225 2HD2 ASN 34 2HD2 ASN 34 13.753 7.434 -12.437 226 H GLY 35 H GLY 35 18.081 3.257 -9.648 227 1HA GLY 35 2HA GLY 35 19.724 4.089 -7.527 228 2HA GLY 35 1HA GLY 35 20.201 2.984 -8.809 229 H PHE 36 H PHE 36 22.296 3.864 -8.864 230 HA PHE 36 HA PHE 36 22.566 6.104 -10.645 231 1HB PHE 36 2HB PHE 36 23.574 6.330 -7.796 232 2HB PHE 36 1HB PHE 36 24.073 7.395 -9.106 233 HD1 PHE 36 1HD PHE 36 21.431 6.540 -6.764 234 HD2 PHE 36 2HD PHE 36 22.494 8.989 -10.078 235 HE1 PHE 36 1HE PHE 36 19.492 7.986 -6.312 236 HE2 PHE 36 2HE PHE 36 20.557 10.439 -9.632 237 HZ PHE 36 HZ PHE 36 19.053 9.938 -7.748 238 H TRP 37 H TRP 37 24.724 6.332 -11.458 239 HA TRP 37 HA TRP 37 26.144 3.837 -11.548 240 1HB TRP 37 2HB TRP 37 25.882 6.033 -13.241 241 2HB TRP 37 1HB TRP 37 27.560 6.103 -12.710 242 HD1 TRP 37 HD TRP 37 29.076 4.923 -14.387 243 HE1 TRP 37 1HE TRP 37 28.910 2.843 -15.892 244 HE3 TRP 37 3HE TRP 37 24.320 3.452 -13.221 245 HZ2 TRP 37 2HZ TRP 37 27.016 0.843 -16.505 246 HZ3 TRP 37 3HZ TRP 37 23.406 1.445 -14.311 247 HH2 TRP 37 HH TRP 37 24.728 0.169 -15.919 Start of MODEL 9 1 HA LYS 1 HA LYS 1 -7.127 -6.293 6.834 2 1HB LYS 1 2HB LYS 1 -7.564 -7.323 4.649 3 2HB LYS 1 1HB LYS 1 -9.032 -7.247 5.612 4 1HG LYS 1 2HG LYS 1 -9.663 -5.194 4.341 5 2HG LYS 1 1HG LYS 1 -8.271 -5.484 3.296 6 1HD LYS 1 2HD LYS 1 -9.812 -6.598 2.065 7 2HD LYS 1 1HD LYS 1 -9.404 -7.904 3.179 8 1HE LYS 1 2HE LYS 1 -11.496 -7.965 3.926 9 2HE LYS 1 1HE LYS 1 -11.420 -6.260 4.361 10 1HZ LYS 1 1HZ LYS 1 -11.729 -6.211 1.664 11 2HZ LYS 1 2HZ LYS 1 -12.964 -5.988 2.797 12 3HZ LYS 1 3HZ LYS 1 -12.702 -7.517 2.124 13 H TYR 2 H TYR 2 -5.111 -5.425 6.613 14 HA TYR 2 HA TYR 2 -4.662 -3.226 4.819 15 1HB TYR 2 2HB TYR 2 -3.421 -4.099 7.111 16 2HB TYR 2 1HB TYR 2 -2.265 -4.537 5.854 17 HD1 TYR 2 1HD TYR 2 -0.864 -2.865 4.925 18 HD2 TYR 2 2HD TYR 2 -4.307 -1.784 7.123 19 HE1 TYR 2 1HE TYR 2 -0.168 -0.539 4.829 20 HE2 TYR 2 2HE TYR 2 -3.607 0.565 7.068 21 HH TYR 2 HH TYR 2 -0.667 1.546 6.474 22 H TYR 3 H TYR 3 -3.597 -3.280 2.874 23 HA TYR 3 HA TYR 3 -3.101 -5.973 1.766 24 1HB TYR 3 2HB TYR 3 -4.108 -3.417 0.595 25 2HB TYR 3 1HB TYR 3 -3.233 -4.533 -0.449 26 HD1 TYR 3 1HD TYR 3 -6.392 -3.723 0.949 27 HD2 TYR 3 2HD TYR 3 -4.069 -6.987 -0.470 28 HE1 TYR 3 1HE TYR 3 -8.448 -5.030 0.611 29 HE2 TYR 3 2HE TYR 3 -6.119 -8.308 -0.804 30 HH TYR 3 HH TYR 3 -9.125 -7.022 -0.922 31 H GLY 4 H GLY 4 -1.156 -4.630 3.380 32 1HA GLY 4 2HA GLY 4 1.038 -3.932 3.375 33 2HA GLY 4 1HA GLY 4 1.191 -5.077 2.047 34 H ASN 5 H ASN 5 -0.931 -2.401 1.607 35 HA ASN 5 HA ASN 5 1.083 -0.755 0.297 36 1HB ASN 5 2HB ASN 5 -1.236 -2.081 -1.109 37 2HB ASN 5 1HB ASN 5 -0.513 -0.597 -1.723 38 1HD2 ASN 5 1HD2 ASN 5 -0.137 -3.993 -1.284 39 2HD2 ASN 5 2HD2 ASN 5 1.320 -4.168 -2.195 40 H GLY 6 H GLY 6 -0.206 -0.197 2.644 41 1HA GLY 6 2HA GLY 6 -1.637 1.268 3.699 42 2HA GLY 6 1HA GLY 6 -1.204 2.328 2.371 43 H VAL 7 H VAL 7 -3.173 -0.627 2.578 44 HA VAL 7 HA VAL 7 -5.551 0.882 1.784 45 HB VAL 7 HB VAL 7 -4.412 -1.381 0.151 46 1HG1 VAL 7 1HG1 VAL 7 -6.667 -1.995 0.474 47 2HG1 VAL 7 2HG1 VAL 7 -6.621 -1.173 -1.087 48 3HG1 VAL 7 3HG1 VAL 7 -7.206 -0.322 0.348 49 1HG2 VAL 7 1HG2 VAL 7 -5.655 0.891 -1.172 50 2HG2 VAL 7 2HG2 VAL 7 -4.068 0.160 -1.436 51 3HG2 VAL 7 3HG2 VAL 7 -4.290 1.352 -0.157 52 H HIS 8 H HIS 8 -6.884 0.404 3.371 53 HA HIS 8 HA HIS 8 -7.182 -2.419 4.110 54 1HB HIS 8 2HB HIS 8 -8.140 -0.993 6.291 55 2HB HIS 8 1HB HIS 8 -6.598 -1.835 6.201 56 HD1 HIS 8 1HD HIS 8 -7.759 1.217 7.313 57 HD2 HIS 8 2HD HIS 8 -4.697 0.140 4.722 58 HE1 HIS 8 1HE HIS 8 -6.194 3.182 7.281 59 HE2 HIS 8 2HE HIS 8 -4.289 2.461 5.796 60 H CYS 9 H CYS 9 -9.200 -3.227 4.227 61 HA CYS 9 HA CYS 9 -11.333 -1.385 3.448 62 1HB CYS 9 2HB CYS 9 -11.344 -4.378 3.099 63 2HB CYS 9 1HB CYS 9 -12.474 -3.215 2.418 64 H THR 10 H THR 10 -12.112 -0.706 5.348 65 HA THR 10 HA THR 10 -12.685 -2.651 7.451 66 HB THR 10 HB THR 10 -13.050 -0.727 8.888 67 HG1 THR 10 1HG THR 10 -12.957 0.684 6.453 68 1HG2 THR 10 1HG2 THR 10 -10.694 0.222 7.365 69 2HG2 THR 10 2HG2 THR 10 -10.639 -1.397 8.060 70 3HG2 THR 10 3HG2 THR 10 -10.912 -0.001 9.101 71 H LYS 11 H LYS 11 -14.785 -1.444 8.728 72 HA LYS 11 HA LYS 11 -16.981 -2.549 7.424 73 1HB LYS 11 2HB LYS 11 -18.270 -1.767 9.226 74 2HB LYS 11 1HB LYS 11 -16.665 -2.030 9.894 75 1HG LYS 11 2HG LYS 11 -17.667 0.661 8.998 76 2HG LYS 11 1HG LYS 11 -17.811 0.058 10.650 77 1HD LYS 11 2HD LYS 11 -15.319 -0.262 10.645 78 2HD LYS 11 1HD LYS 11 -15.281 0.595 9.102 79 1HE LYS 11 2HE LYS 11 -14.789 2.155 10.858 80 2HE LYS 11 1HE LYS 11 -16.386 2.522 10.209 81 1HZ LYS 11 1HZ LYS 11 -15.641 1.775 12.858 82 2HZ LYS 11 2HZ LYS 11 -16.855 0.764 12.254 83 3HZ LYS 11 3HZ LYS 11 -17.094 2.437 12.297 84 H SER 12 H SER 12 -15.454 0.463 6.916 85 HA SER 12 HA SER 12 -17.821 1.628 5.660 86 1HB SER 12 2HB SER 12 -15.964 3.511 5.262 87 2HB SER 12 1HB SER 12 -16.828 3.359 6.793 88 HG SER 12 HG SER 12 -14.952 3.056 7.662 89 H GLY 13 H GLY 13 -15.583 -0.539 4.769 90 1HA GLY 13 2HA GLY 13 -15.547 -1.327 2.493 91 2HA GLY 13 1HA GLY 13 -15.658 0.345 1.960 92 H CYS 14 H CYS 14 -13.794 -0.084 0.609 93 HA CYS 14 HA CYS 14 -11.266 -0.516 1.998 94 1HB CYS 14 2HB CYS 14 -11.840 -0.226 -0.940 95 2HB CYS 14 1HB CYS 14 -10.270 -0.581 -0.230 96 H SER 15 H SER 15 -9.842 0.945 2.447 97 HA SER 15 HA SER 15 -10.086 3.606 1.234 98 1HB SER 15 2HB SER 15 -9.486 3.602 4.132 99 2HB SER 15 1HB SER 15 -10.458 4.726 3.182 100 HG SER 15 HG SER 15 -12.021 2.914 3.083 101 H VAL 16 H VAL 16 -8.168 5.023 2.119 102 HA VAL 16 HA VAL 16 -5.752 3.381 2.360 103 HB VAL 16 HB VAL 16 -6.080 5.605 0.344 104 1HG1 VAL 16 1HG1 VAL 16 -3.737 4.263 1.509 105 2HG1 VAL 16 2HG1 VAL 16 -3.884 5.854 0.775 106 3HG1 VAL 16 3HG1 VAL 16 -3.726 4.425 -0.244 107 1HG2 VAL 16 1HG2 VAL 16 -6.107 2.660 0.174 108 2HG2 VAL 16 2HG2 VAL 16 -5.253 3.545 -1.098 109 3HG2 VAL 16 3HG2 VAL 16 -6.967 3.862 -0.798 110 H ASN 17 H ASN 17 -4.462 4.094 3.922 111 HA ASN 17 HA ASN 17 -4.987 6.521 5.321 112 1HB ASN 17 2HB ASN 17 -3.461 4.178 5.773 113 2HB ASN 17 1HB ASN 17 -2.343 5.537 5.866 114 1HD2 ASN 17 1HD2 ASN 17 -2.542 7.015 7.507 115 2HD2 ASN 17 2HD2 ASN 17 -3.562 6.767 8.878 116 H TRP 18 H TRP 18 -3.098 5.622 2.632 117 HA TRP 18 HA TRP 18 -1.798 6.732 1.172 118 1HB TRP 18 2HB TRP 18 -3.054 9.078 2.592 119 2HB TRP 18 1HB TRP 18 -1.924 9.280 1.247 120 HD1 TRP 18 HD TRP 18 -5.519 8.825 1.891 121 HE1 TRP 18 1HE TRP 18 -6.757 8.166 -0.264 122 HE3 TRP 18 3HE TRP 18 -1.504 7.658 -0.987 123 HZ2 TRP 18 2HZ TRP 18 -6.101 7.257 -2.854 124 HZ3 TRP 18 3HZ TRP 18 -1.878 6.892 -3.301 125 HH2 TRP 18 HH TRP 18 -4.136 6.687 -4.203 126 H GLY 19 H GLY 19 -1.415 8.585 4.221 127 1HA GLY 19 2HA GLY 19 1.337 8.954 3.873 128 2HA GLY 19 1HA GLY 19 0.515 8.953 5.437 129 H GLU 20 H GLU 20 -0.514 6.210 4.947 130 HA GLU 20 HA GLU 20 1.713 4.752 6.030 131 1HB GLU 20 2HB GLU 20 -1.113 3.951 5.286 132 2HB GLU 20 1HB GLU 20 0.076 2.794 5.886 133 1HG GLU 20 2HG GLU 20 0.339 4.318 7.895 134 2HG GLU 20 1HG GLU 20 -1.090 5.167 7.319 135 H ALA 21 H ALA 21 -0.090 4.854 3.005 136 HA ALA 21 HA ALA 21 1.334 2.741 1.713 137 1HB ALA 21 1HB ALA 21 -0.908 3.530 1.027 138 2HB ALA 21 2HB ALA 21 0.254 3.557 -0.300 139 3HB ALA 21 3HB ALA 21 -0.184 5.054 0.524 140 H PHE 22 H PHE 22 1.635 6.219 1.964 141 HA PHE 22 HA PHE 22 3.582 6.682 0.002 142 1HB PHE 22 2HB PHE 22 2.285 8.439 1.225 143 2HB PHE 22 1HB PHE 22 3.234 8.090 2.666 144 HD1 PHE 22 1HD PHE 22 5.724 8.469 2.581 145 HD2 PHE 22 2HD PHE 22 3.067 9.922 -0.406 146 HE1 PHE 22 1HE PHE 22 7.433 10.078 1.852 147 HE2 PHE 22 2HE PHE 22 4.772 11.537 -1.141 148 HZ PHE 22 HZ PHE 22 6.959 11.616 -0.013 149 H SER 23 H SER 23 3.719 5.643 3.334 150 HA SER 23 HA SER 23 6.568 5.697 3.595 151 1HB SER 23 2HB SER 23 5.062 5.682 5.563 152 2HB SER 23 1HB SER 23 4.533 4.054 5.136 153 HG SER 23 HG SER 23 7.206 4.800 5.739 154 H ALA 24 H ALA 24 4.228 3.452 2.355 155 HA ALA 24 HA ALA 24 5.975 1.182 2.241 156 1HB ALA 24 1HB ALA 24 3.371 1.285 2.241 157 2HB ALA 24 2HB ALA 24 4.192 0.049 1.285 158 3HB ALA 24 3HB ALA 24 3.563 1.501 0.502 159 H GLY 25 H GLY 25 4.721 3.519 -0.113 160 1HA GLY 25 2HA GLY 25 6.105 2.504 -2.346 161 2HA GLY 25 1HA GLY 25 5.471 4.137 -2.193 162 H VAL 26 H VAL 26 7.031 4.878 0.109 163 HA VAL 26 HA VAL 26 9.368 5.802 -1.201 164 HB VAL 26 HB VAL 26 8.767 5.696 1.776 165 1HG1 VAL 26 1HG1 VAL 26 10.909 7.116 0.210 166 2HG1 VAL 26 2HG1 VAL 26 11.112 5.967 1.532 167 3HG1 VAL 26 3HG1 VAL 26 10.455 7.573 1.850 168 1HG2 VAL 26 1HG2 VAL 26 8.671 8.251 0.321 169 2HG2 VAL 26 2HG2 VAL 26 7.617 7.618 1.586 170 3HG2 VAL 26 3HG2 VAL 26 7.398 7.100 -0.085 171 H HIS 27 H HIS 27 8.791 3.119 1.060 172 HA HIS 27 HA HIS 27 11.495 2.429 1.432 173 1HB HIS 27 2HB HIS 27 9.053 0.630 1.408 174 2HB HIS 27 1HB HIS 27 10.638 0.175 2.022 175 HD1 HIS 27 1HD HIS 27 10.117 3.558 2.962 176 HD2 HIS 27 2HD HIS 27 8.807 -0.114 4.393 177 HE1 HIS 27 1HE HIS 27 9.341 3.988 5.299 178 HE2 HIS 27 2HE HIS 27 8.672 1.733 6.199 179 H ARG 28 H ARG 28 9.199 1.851 -1.118 180 HA ARG 28 HA ARG 28 10.782 -0.058 -2.552 181 1HB ARG 28 2HB ARG 28 8.321 0.051 -2.743 182 2HB ARG 28 1HB ARG 28 8.459 1.635 -3.491 183 1HG ARG 28 2HG ARG 28 8.295 0.411 -5.373 184 2HG ARG 28 1HG ARG 28 10.038 0.263 -5.142 185 1HD ARG 28 2HD ARG 28 9.269 -1.923 -5.564 186 2HD ARG 28 1HD ARG 28 9.542 -1.845 -3.824 187 HE ARG 28 HE ARG 28 6.854 -1.201 -4.443 188 1HH1 ARG 28 1HH1 ARG 28 9.049 -3.905 -4.231 189 2HH1 ARG 28 2HH1 ARG 28 7.799 -5.052 -3.882 190 1HH2 ARG 28 1HH2 ARG 28 5.210 -2.708 -3.982 191 2HH2 ARG 28 2HH2 ARG 28 5.620 -4.373 -3.741 192 H LEU 29 H LEU 29 9.962 3.377 -3.117 193 HA LEU 29 HA LEU 29 11.712 3.663 -5.332 194 1HB LEU 29 2HB LEU 29 10.837 5.999 -3.714 195 2HB LEU 29 1HB LEU 29 11.042 5.865 -5.448 196 HG LEU 29 HG LEU 29 8.779 4.796 -3.792 197 1HD1 LEU 29 1HD1 LEU 29 8.796 7.203 -4.388 198 2HD1 LEU 29 2HD1 LEU 29 7.424 6.304 -5.040 199 3HD1 LEU 29 3HD1 LEU 29 8.779 6.731 -6.087 200 1HD2 LEU 29 1HD2 LEU 29 9.765 3.986 -6.432 201 2HD2 LEU 29 2HD2 LEU 29 8.037 4.334 -6.346 202 3HD2 LEU 29 3HD2 LEU 29 8.748 3.120 -5.281 203 H ALA 30 H ALA 30 11.880 4.730 -2.002 204 HA ALA 30 HA ALA 30 14.358 6.043 -2.188 205 1HB ALA 30 1HB ALA 30 13.340 4.827 0.346 206 2HB ALA 30 2HB ALA 30 12.533 6.205 -0.399 207 3HB ALA 30 3HB ALA 30 14.218 6.339 0.112 208 H ASN 31 H ASN 31 13.817 2.748 -2.434 209 HA ASN 31 HA ASN 31 16.183 1.915 -0.999 210 1HB ASN 31 2HB ASN 31 14.187 0.448 -1.166 211 2HB ASN 31 1HB ASN 31 14.456 0.318 -2.902 212 1HD2 ASN 31 1HD2 ASN 31 16.118 -0.943 -3.663 213 2HD2 ASN 31 2HD2 ASN 31 17.007 -2.031 -2.659 214 H GLY 32 H GLY 32 15.366 2.940 -4.191 215 1HA GLY 32 2HA GLY 32 17.521 1.684 -5.568 216 2HA GLY 32 1HA GLY 32 16.566 3.036 -6.154 217 H GLY 33 H GLY 33 17.140 5.197 -5.381 218 1HA GLY 33 2HA GLY 33 19.213 6.020 -3.864 219 2HA GLY 33 1HA GLY 33 20.018 5.502 -5.337 220 H ASN 34 H ASN 34 18.560 8.070 -3.773 221 HA ASN 34 HA ASN 34 17.754 9.462 -6.198 222 1HB ASN 34 2HB ASN 34 16.412 9.620 -4.090 223 2HB ASN 34 1HB ASN 34 17.758 10.486 -3.352 224 1HD2 ASN 34 1HD2 ASN 34 15.113 10.648 -5.553 225 2HD2 ASN 34 2HD2 ASN 34 15.202 12.343 -5.871 226 H GLY 35 H GLY 35 20.416 9.349 -3.964 227 1HA GLY 35 2HA GLY 35 22.581 10.141 -4.500 228 2HA GLY 35 1HA GLY 35 21.865 11.252 -5.659 229 H PHE 36 H PHE 36 21.958 13.324 -5.083 230 HA PHE 36 HA PHE 36 21.272 14.196 -2.447 231 1HB PHE 36 2HB PHE 36 23.468 15.331 -2.010 232 2HB PHE 36 1HB PHE 36 23.519 13.573 -1.901 233 HD1 PHE 36 1HD PHE 36 24.581 16.497 -3.796 234 HD2 PHE 36 2HD PHE 36 24.686 12.262 -3.534 235 HE1 PHE 36 1HE PHE 36 26.428 16.454 -5.424 236 HE2 PHE 36 2HE PHE 36 26.540 12.200 -5.160 237 HZ PHE 36 HZ PHE 36 27.411 14.301 -6.106 238 H TRP 37 H TRP 37 20.127 14.779 -4.860 239 HA TRP 37 HA TRP 37 20.296 17.638 -4.885 240 1HB TRP 37 2HB TRP 37 22.183 16.714 -6.445 241 2HB TRP 37 1HB TRP 37 20.857 16.401 -7.559 242 HD1 TRP 37 HD TRP 37 22.977 19.194 -6.140 243 HE1 TRP 37 1HE TRP 37 22.399 21.394 -7.343 244 HE3 TRP 37 3HE TRP 37 18.841 17.649 -8.720 245 HZ2 TRP 37 2HZ TRP 37 20.450 22.349 -9.147 246 HZ3 TRP 37 3HZ TRP 37 17.679 19.269 -10.161 247 HH2 TRP 37 HH TRP 37 18.467 21.570 -10.368 Start of MODEL 10 1 HA LYS 1 HA LYS 1 -7.057 -5.892 7.358 2 1HB LYS 1 2HB LYS 1 -7.433 -6.878 5.117 3 2HB LYS 1 1HB LYS 1 -8.877 -6.931 6.120 4 1HG LYS 1 2HG LYS 1 -9.413 -4.672 4.891 5 2HG LYS 1 1HG LYS 1 -8.308 -5.329 3.682 6 1HD LYS 1 2HD LYS 1 -10.770 -6.707 4.754 7 2HD LYS 1 1HD LYS 1 -10.637 -5.907 3.186 8 1HE LYS 1 2HE LYS 1 -9.105 -7.505 2.386 9 2HE LYS 1 1HE LYS 1 -8.799 -8.138 4.003 10 1HZ LYS 1 1HZ LYS 1 -11.348 -8.659 3.881 11 2HZ LYS 1 2HZ LYS 1 -10.214 -9.713 3.200 12 3HZ LYS 1 3HZ LYS 1 -11.064 -8.634 2.213 13 H TYR 2 H TYR 2 -5.084 -4.953 7.184 14 HA TYR 2 HA TYR 2 -4.659 -2.766 5.361 15 1HB TYR 2 2HB TYR 2 -3.485 -3.549 7.729 16 2HB TYR 2 1HB TYR 2 -2.250 -3.908 6.523 17 HD1 TYR 2 1HD TYR 2 -4.494 -1.305 7.751 18 HD2 TYR 2 2HD TYR 2 -0.976 -2.162 5.579 19 HE1 TYR 2 1HE TYR 2 -3.950 1.099 7.705 20 HE2 TYR 2 2HE TYR 2 -0.421 0.216 5.488 21 HH TYR 2 HH TYR 2 -1.874 2.507 7.453 22 H TYR 3 H TYR 3 -3.510 -2.825 3.457 23 HA TYR 3 HA TYR 3 -2.880 -5.524 2.441 24 1HB TYR 3 2HB TYR 3 -3.880 -3.015 1.183 25 2HB TYR 3 1HB TYR 3 -2.858 -4.063 0.200 26 HD1 TYR 3 1HD TYR 3 -6.157 -3.456 1.373 27 HD2 TYR 3 2HD TYR 3 -3.551 -6.537 0.050 28 HE1 TYR 3 1HE TYR 3 -8.104 -4.872 0.882 29 HE2 TYR 3 2HE TYR 3 -5.486 -7.973 -0.438 30 HH TYR 3 HH TYR 3 -8.491 -6.941 -0.822 31 H GLY 4 H GLY 4 -1.052 -4.130 4.158 32 1HA GLY 4 2HA GLY 4 1.119 -3.367 4.267 33 2HA GLY 4 1HA GLY 4 1.383 -4.594 3.034 34 H ASN 5 H ASN 5 -0.704 -1.922 2.323 35 HA ASN 5 HA ASN 5 1.398 -0.399 0.995 36 1HB ASN 5 2HB ASN 5 -0.816 -1.883 -0.386 37 2HB ASN 5 1HB ASN 5 -0.274 -0.344 -1.046 38 1HD2 ASN 5 1HD2 ASN 5 -0.071 -3.177 -1.988 39 2HD2 ASN 5 2HD2 ASN 5 1.603 -3.396 -2.350 40 H GLY 6 H GLY 6 -0.308 0.069 3.287 41 1HA GLY 6 2HA GLY 6 -1.669 1.706 4.151 42 2HA GLY 6 1HA GLY 6 -1.118 2.689 2.805 43 H VAL 7 H VAL 7 -3.142 -0.220 3.034 44 HA VAL 7 HA VAL 7 -5.445 1.249 2.010 45 HB VAL 7 HB VAL 7 -4.146 -0.998 0.494 46 1HG1 VAL 7 1HG1 VAL 7 -6.995 -0.094 0.555 47 2HG1 VAL 7 2HG1 VAL 7 -6.368 -1.739 0.677 48 3HG1 VAL 7 3HG1 VAL 7 -6.307 -0.883 -0.865 49 1HG2 VAL 7 1HG2 VAL 7 -4.144 1.732 0.158 50 2HG2 VAL 7 2HG2 VAL 7 -5.430 1.195 -0.920 51 3HG2 VAL 7 3HG2 VAL 7 -3.798 0.543 -1.097 52 H HIS 8 H HIS 8 -6.798 0.819 3.595 53 HA HIS 8 HA HIS 8 -7.136 -1.985 4.391 54 1HB HIS 8 2HB HIS 8 -8.364 -0.369 6.338 55 2HB HIS 8 1HB HIS 8 -6.883 -1.303 6.509 56 HD1 HIS 8 1HD HIS 8 -7.884 1.815 7.405 57 HD2 HIS 8 2HD HIS 8 -4.758 0.529 4.986 58 HE1 HIS 8 1HE HIS 8 -6.225 3.704 7.392 59 HE2 HIS 8 2HE HIS 8 -4.289 2.846 6.034 60 H CYS 9 H CYS 9 -9.284 -2.665 4.891 61 HA CYS 9 HA CYS 9 -11.343 -1.027 3.620 62 1HB CYS 9 2HB CYS 9 -11.339 -4.019 3.399 63 2HB CYS 9 1HB CYS 9 -12.253 -2.848 2.459 64 H THR 10 H THR 10 -11.801 -0.334 5.715 65 HA THR 10 HA THR 10 -12.850 -2.328 7.576 66 HB THR 10 HB THR 10 -12.535 -0.802 9.283 67 HG1 THR 10 1HG THR 10 -12.960 1.167 7.314 68 1HG2 THR 10 1HG2 THR 10 -10.341 -1.204 8.241 69 2HG2 THR 10 2HG2 THR 10 -10.456 0.370 9.031 70 3HG2 THR 10 3HG2 THR 10 -10.564 0.255 7.275 71 H LYS 11 H LYS 11 -14.870 -2.703 7.893 72 HA LYS 11 HA LYS 11 -17.106 -2.295 8.220 73 1HB LYS 11 2HB LYS 11 -16.796 0.244 6.613 74 2HB LYS 11 1HB LYS 11 -18.213 -0.263 7.510 75 1HG LYS 11 2HG LYS 11 -15.897 -0.207 9.212 76 2HG LYS 11 1HG LYS 11 -16.132 1.341 8.401 77 1HD LYS 11 2HD LYS 11 -17.463 1.650 10.239 78 2HD LYS 11 1HD LYS 11 -18.639 0.940 9.131 79 1HE LYS 11 2HE LYS 11 -18.759 -1.004 10.290 80 2HE LYS 11 1HE LYS 11 -17.061 -0.951 10.761 81 1HZ LYS 11 1HZ LYS 11 -19.074 -0.498 12.440 82 2HZ LYS 11 2HZ LYS 11 -18.756 1.087 11.941 83 3HZ LYS 11 3HZ LYS 11 -17.528 0.159 12.642 84 H SER 12 H SER 12 -16.885 -0.710 5.075 85 HA SER 12 HA SER 12 -17.531 -3.187 3.700 86 1HB SER 12 2HB SER 12 -19.612 -2.355 2.739 87 2HB SER 12 1HB SER 12 -19.721 -2.367 4.499 88 HG SER 12 HG SER 12 -20.392 -0.391 3.193 89 H GLY 13 H GLY 13 -15.402 -1.095 3.650 90 1HA GLY 13 2HA GLY 13 -15.171 -0.923 0.801 91 2HA GLY 13 1HA GLY 13 -15.529 0.639 1.522 92 H CYS 14 H CYS 14 -13.171 0.028 0.084 93 HA CYS 14 HA CYS 14 -11.108 -0.188 2.135 94 1HB CYS 14 2HB CYS 14 -10.783 -0.095 -0.848 95 2HB CYS 14 1HB CYS 14 -9.534 -0.443 0.344 96 H SER 15 H SER 15 -9.705 1.305 2.647 97 HA SER 15 HA SER 15 -9.912 3.937 1.345 98 1HB SER 15 2HB SER 15 -11.125 3.675 3.656 99 2HB SER 15 1HB SER 15 -9.491 3.745 4.313 100 HG SER 15 HG SER 15 -10.587 5.809 4.124 101 H VAL 16 H VAL 16 -7.991 5.359 2.210 102 HA VAL 16 HA VAL 16 -5.597 3.689 2.519 103 HB VAL 16 HB VAL 16 -5.864 5.939 0.520 104 1HG1 VAL 16 1HG1 VAL 16 -3.563 4.583 1.716 105 2HG1 VAL 16 2HG1 VAL 16 -3.665 6.137 0.898 106 3HG1 VAL 16 3HG1 VAL 16 -3.534 4.651 -0.044 107 1HG2 VAL 16 1HG2 VAL 16 -6.004 3.006 0.327 108 2HG2 VAL 16 2HG2 VAL 16 -5.065 3.848 -0.914 109 3HG2 VAL 16 3HG2 VAL 16 -6.767 4.250 -0.673 110 H ASN 17 H ASN 17 -4.239 4.412 4.037 111 HA ASN 17 HA ASN 17 -4.818 6.829 5.465 112 1HB ASN 17 2HB ASN 17 -3.296 4.475 5.948 113 2HB ASN 17 1HB ASN 17 -2.198 5.846 6.095 114 1HD2 ASN 17 1HD2 ASN 17 -5.647 5.601 6.840 115 2HD2 ASN 17 2HD2 ASN 17 -5.492 5.995 8.515 116 H TRP 18 H TRP 18 -2.879 5.917 2.821 117 HA TRP 18 HA TRP 18 -1.578 7.031 1.370 118 1HB TRP 18 2HB TRP 18 -2.802 9.376 2.818 119 2HB TRP 18 1HB TRP 18 -1.671 9.580 1.475 120 HD1 TRP 18 HD TRP 18 -5.269 9.169 2.106 121 HE1 TRP 18 1HE TRP 18 -6.515 8.548 -0.055 122 HE3 TRP 18 3HE TRP 18 -1.270 7.938 -0.772 123 HZ2 TRP 18 2HZ TRP 18 -5.870 7.638 -2.648 124 HZ3 TRP 18 3HZ TRP 18 -1.654 7.189 -3.087 125 HH2 TRP 18 HH TRP 18 -3.915 7.032 -3.994 126 H GLY 19 H GLY 19 -1.124 8.817 4.460 127 1HA GLY 19 2HA GLY 19 1.636 9.151 4.049 128 2HA GLY 19 1HA GLY 19 0.843 9.167 5.628 129 H GLU 20 H GLU 20 -0.257 6.476 5.239 130 HA GLU 20 HA GLU 20 1.956 4.950 6.246 131 1HB GLU 20 2HB GLU 20 -0.941 4.361 5.663 132 2HB GLU 20 1HB GLU 20 0.173 3.048 6.033 133 1HG GLU 20 2HG GLU 20 0.257 5.308 7.905 134 2HG GLU 20 1HG GLU 20 -1.267 4.425 7.867 135 H ALA 21 H ALA 21 0.059 5.114 3.283 136 HA ALA 21 HA ALA 21 1.377 2.962 1.941 137 1HB ALA 21 1HB ALA 21 0.021 5.269 0.604 138 2HB ALA 21 2HB ALA 21 -0.908 4.034 1.453 139 3HB ALA 21 3HB ALA 21 0.107 3.586 0.081 140 H PHE 22 H PHE 22 1.837 6.411 2.259 141 HA PHE 22 HA PHE 22 3.670 6.864 0.180 142 1HB PHE 22 2HB PHE 22 2.523 8.624 1.569 143 2HB PHE 22 1HB PHE 22 3.596 8.201 2.899 144 HD1 PHE 22 1HD PHE 22 6.082 8.503 2.580 145 HD2 PHE 22 2HD PHE 22 3.197 10.122 -0.096 146 HE1 PHE 22 1HE PHE 22 7.765 10.080 1.724 147 HE2 PHE 22 2HE PHE 22 4.874 11.702 -0.955 148 HZ PHE 22 HZ PHE 22 7.162 11.683 -0.045 149 H SER 23 H SER 23 3.965 5.719 3.463 150 HA SER 23 HA SER 23 6.828 5.655 3.534 151 1HB SER 23 2HB SER 23 6.612 4.579 5.625 152 2HB SER 23 1HB SER 23 5.194 5.621 5.536 153 HG SER 23 HG SER 23 4.088 3.867 5.826 154 H ALA 24 H ALA 24 4.302 3.510 2.486 155 HA ALA 24 HA ALA 24 5.944 1.174 2.246 156 1HB ALA 24 1HB ALA 24 3.374 1.340 2.460 157 2HB ALA 24 2HB ALA 24 4.055 0.120 1.381 158 3HB ALA 24 3HB ALA 24 3.405 1.620 0.719 159 H GLY 25 H GLY 25 4.637 3.565 -0.019 160 1HA GLY 25 2HA GLY 25 5.827 2.475 -2.336 161 2HA GLY 25 1HA GLY 25 5.223 4.116 -2.167 162 H VAL 26 H VAL 26 6.959 4.905 -0.011 163 HA VAL 26 HA VAL 26 9.202 5.748 -1.523 164 HB VAL 26 HB VAL 26 8.802 5.744 1.488 165 1HG1 VAL 26 1HG1 VAL 26 10.576 7.624 1.273 166 2HG1 VAL 26 2HG1 VAL 26 10.990 6.825 -0.244 167 3HG1 VAL 26 3HG1 VAL 26 11.101 5.941 1.278 168 1HG2 VAL 26 1HG2 VAL 26 7.809 7.769 1.312 169 2HG2 VAL 26 2HG2 VAL 26 7.374 7.154 -0.283 170 3HG2 VAL 26 3HG2 VAL 26 8.755 8.237 -0.101 171 H HIS 27 H HIS 27 8.742 3.140 0.831 172 HA HIS 27 HA HIS 27 11.456 2.388 1.011 173 1HB HIS 27 2HB HIS 27 8.990 0.642 1.249 174 2HB HIS 27 1HB HIS 27 10.604 0.220 1.807 175 HD1 HIS 27 1HD HIS 27 10.360 3.601 2.639 176 HD2 HIS 27 2HD HIS 27 8.667 0.144 4.198 177 HE1 HIS 27 1HE HIS 27 9.683 4.179 4.977 178 HE2 HIS 27 2HE HIS 27 8.569 2.110 5.875 179 H ARG 28 H ARG 28 8.871 1.617 -1.232 180 HA ARG 28 HA ARG 28 10.306 -0.352 -2.706 181 1HB ARG 28 2HB ARG 28 7.898 -0.337 -2.752 182 2HB ARG 28 1HB ARG 28 7.870 1.311 -3.358 183 1HG ARG 28 2HG ARG 28 8.144 0.666 -5.476 184 2HG ARG 28 1HG ARG 28 9.356 -0.547 -5.054 185 1HD ARG 28 2HD ARG 28 6.407 -0.907 -4.555 186 2HD ARG 28 1HD ARG 28 7.207 -1.435 -6.034 187 HE ARG 28 HE ARG 28 8.655 -2.539 -3.974 188 1HH1 ARG 28 1HH1 ARG 28 5.346 -2.679 -5.074 189 2HH1 ARG 28 2HH1 ARG 28 5.092 -4.292 -4.497 190 1HH2 ARG 28 1HH2 ARG 28 8.322 -4.658 -3.214 191 2HH2 ARG 28 2HH2 ARG 28 6.781 -5.416 -3.440 192 H LEU 29 H LEU 29 9.576 3.084 -3.297 193 HA LEU 29 HA LEU 29 11.020 3.262 -5.726 194 1HB LEU 29 2HB LEU 29 10.381 5.519 -3.858 195 2HB LEU 29 1HB LEU 29 10.687 5.619 -5.581 196 HG LEU 29 HG LEU 29 8.275 4.465 -4.219 197 1HD1 LEU 29 1HD1 LEU 29 7.177 6.174 -5.738 198 2HD1 LEU 29 2HD1 LEU 29 8.797 6.834 -5.969 199 3HD1 LEU 29 3HD1 LEU 29 8.087 6.788 -4.356 200 1HD2 LEU 29 1HD2 LEU 29 7.468 4.024 -6.536 201 2HD2 LEU 29 2HD2 LEU 29 8.785 2.980 -5.994 202 3HD2 LEU 29 3HD2 LEU 29 9.117 4.317 -7.095 203 H ALA 30 H ALA 30 11.704 4.346 -2.486 204 HA ALA 30 HA ALA 30 14.235 5.445 -2.980 205 1HB ALA 30 1HB ALA 30 14.385 5.791 -0.697 206 2HB ALA 30 2HB ALA 30 13.474 4.329 -0.316 207 3HB ALA 30 3HB ALA 30 12.644 5.735 -0.982 208 H ASN 31 H ASN 31 13.330 2.108 -2.325 209 HA ASN 31 HA ASN 31 16.072 1.364 -1.743 210 1HB ASN 31 2HB ASN 31 13.848 0.247 -0.870 211 2HB ASN 31 1HB ASN 31 13.979 -0.686 -2.359 212 1HD2 ASN 31 1HD2 ASN 31 16.708 -1.016 -2.545 213 2HD2 ASN 31 2HD2 ASN 31 17.265 -1.964 -1.217 214 H GLY 32 H GLY 32 14.022 1.611 -4.504 215 1HA GLY 32 2HA GLY 32 15.259 1.728 -6.642 216 2HA GLY 32 1HA GLY 32 16.109 0.279 -6.124 217 H GLY 33 H GLY 33 13.559 1.468 -7.939 218 1HA GLY 33 2HA GLY 33 12.819 -1.013 -8.973 219 2HA GLY 33 1HA GLY 33 11.665 -0.622 -7.704 220 H ASN 34 H ASN 34 11.969 -0.594 -10.896 221 HA ASN 34 HA ASN 34 10.890 2.045 -11.443 222 1HB ASN 34 2HB ASN 34 11.715 -0.291 -13.143 223 2HB ASN 34 1HB ASN 34 10.728 0.998 -13.826 224 1HD2 ASN 34 1HD2 ASN 34 12.821 0.948 -15.152 225 2HD2 ASN 34 2HD2 ASN 34 14.049 2.055 -14.651 226 H GLY 35 H GLY 35 9.744 -1.173 -10.904 227 1HA GLY 35 2HA GLY 35 7.358 -1.245 -10.210 228 2HA GLY 35 1HA GLY 35 7.015 -0.298 -11.650 229 H PHE 36 H PHE 36 9.376 -2.854 -11.757 230 HA PHE 36 HA PHE 36 9.362 -4.955 -12.647 231 1HB PHE 36 2HB PHE 36 6.765 -4.717 -11.655 232 2HB PHE 36 1HB PHE 36 6.551 -5.243 -13.323 233 HD1 PHE 36 1HD PHE 36 8.781 -6.034 -10.434 234 HD2 PHE 36 2HD PHE 36 6.419 -7.499 -13.655 235 HE1 PHE 36 1HE PHE 36 9.321 -8.343 -9.775 236 HE2 PHE 36 2HE PHE 36 6.952 -9.810 -13.002 237 HZ PHE 36 HZ PHE 36 8.405 -10.234 -11.059 238 H TRP 37 H TRP 37 8.516 -2.175 -14.188 239 HA TRP 37 HA TRP 37 7.793 -3.231 -16.755 240 1HB TRP 37 2HB TRP 37 8.291 -0.555 -15.589 241 2HB TRP 37 1HB TRP 37 8.604 -0.713 -17.314 242 HD1 TRP 37 HD TRP 37 5.735 -2.580 -15.572 243 HE1 TRP 37 1HE TRP 37 3.506 -1.710 -16.519 244 HE3 TRP 37 3HE TRP 37 7.514 1.257 -18.445 245 HZ2 TRP 37 2HZ TRP 37 2.619 0.333 -18.253 246 HZ3 TRP 37 3HZ TRP 37 5.909 2.620 -19.716 247 HH2 TRP 37 HH TRP 37 3.512 2.167 -19.623 Start of MODEL 11 1 HA LYS 1 HA LYS 1 -6.687 -5.313 7.238 2 1HB LYS 1 2HB LYS 1 -8.219 -6.751 6.331 3 2HB LYS 1 1HB LYS 1 -8.999 -5.489 5.388 4 1HG LYS 1 2HG LYS 1 -7.650 -5.794 3.588 5 2HG LYS 1 1HG LYS 1 -6.272 -6.298 4.565 6 1HD LYS 1 2HD LYS 1 -6.784 -8.331 3.714 7 2HD LYS 1 1HD LYS 1 -7.934 -8.351 5.053 8 1HE LYS 1 2HE LYS 1 -9.739 -7.949 3.681 9 2HE LYS 1 1HE LYS 1 -8.758 -7.165 2.444 10 1HZ LYS 1 1HZ LYS 1 -9.402 -9.248 1.584 11 2HZ LYS 1 2HZ LYS 1 -8.988 -10.066 3.004 12 3HZ LYS 1 3HZ LYS 1 -7.776 -9.420 2.018 13 H TYR 2 H TYR 2 -4.712 -4.683 6.579 14 HA TYR 2 HA TYR 2 -4.376 -2.598 4.651 15 1HB TYR 2 2HB TYR 2 -2.916 -3.471 6.768 16 2HB TYR 2 1HB TYR 2 -2.022 -4.184 5.425 17 HD1 TYR 2 1HD TYR 2 -0.494 -2.870 4.247 18 HD2 TYR 2 2HD TYR 2 -3.515 -1.033 6.569 19 HE1 TYR 2 1HE TYR 2 0.523 -0.695 3.817 20 HE2 TYR 2 2HE TYR 2 -2.503 1.162 6.155 21 HH TYR 2 HH TYR 2 0.526 1.615 5.159 22 H TYR 3 H TYR 3 -3.701 -2.767 2.576 23 HA TYR 3 HA TYR 3 -3.555 -5.487 1.451 24 1HB TYR 3 2HB TYR 3 -4.621 -2.901 0.481 25 2HB TYR 3 1HB TYR 3 -3.834 -3.914 -0.734 26 HD1 TYR 3 1HD TYR 3 -6.763 -3.426 1.313 27 HD2 TYR 3 2HD TYR 3 -4.686 -6.245 -1.103 28 HE1 TYR 3 1HE TYR 3 -8.793 -4.810 1.189 29 HE2 TYR 3 2HE TYR 3 -6.710 -7.632 -1.239 30 HH TYR 3 HH TYR 3 -9.780 -6.524 -0.107 31 H GLY 4 H GLY 4 -1.313 -4.429 2.764 32 1HA GLY 4 2HA GLY 4 0.914 -3.941 2.504 33 2HA GLY 4 1HA GLY 4 0.784 -5.024 1.123 34 H ASN 5 H ASN 5 -1.106 -2.150 0.961 35 HA ASN 5 HA ASN 5 0.957 -0.629 -0.409 36 1HB ASN 5 2HB ASN 5 -0.936 -2.239 -1.835 37 2HB ASN 5 1HB ASN 5 -1.322 -0.546 -2.124 38 1HD2 ASN 5 1HD2 ASN 5 0.300 0.812 -3.017 39 2HD2 ASN 5 2HD2 ASN 5 1.578 0.145 -3.969 40 H GLY 6 H GLY 6 -0.166 0.043 1.990 41 1HA GLY 6 2HA GLY 6 -1.443 1.653 3.060 42 2HA GLY 6 1HA GLY 6 -1.060 2.626 1.658 43 H VAL 7 H VAL 7 -3.079 -0.229 2.171 44 HA VAL 7 HA VAL 7 -5.465 1.291 1.434 45 HB VAL 7 HB VAL 7 -4.443 -1.073 -0.136 46 1HG1 VAL 7 1HG1 VAL 7 -6.816 -0.760 -1.215 47 2HG1 VAL 7 2HG1 VAL 7 -7.209 -0.141 0.393 48 3HG1 VAL 7 3HG1 VAL 7 -6.598 -1.788 0.206 49 1HG2 VAL 7 1HG2 VAL 7 -4.303 0.341 -1.873 50 2HG2 VAL 7 2HG2 VAL 7 -4.306 1.596 -0.636 51 3HG2 VAL 7 3HG2 VAL 7 -5.809 1.152 -1.446 52 H HIS 8 H HIS 8 -6.452 0.940 3.344 53 HA HIS 8 HA HIS 8 -6.711 -1.843 4.194 54 1HB HIS 8 2HB HIS 8 -7.697 -0.104 6.217 55 2HB HIS 8 1HB HIS 8 -6.292 -1.159 6.274 56 HD1 HIS 8 1HD HIS 8 -6.831 1.944 7.311 57 HD2 HIS 8 2HD HIS 8 -4.314 0.536 4.321 58 HE1 HIS 8 1HE HIS 8 -5.093 3.725 7.021 59 HE2 HIS 8 2HE HIS 8 -3.505 2.809 5.287 60 H CYS 9 H CYS 9 -8.704 -2.640 4.853 61 HA CYS 9 HA CYS 9 -10.991 -1.130 3.820 62 1HB CYS 9 2HB CYS 9 -10.097 -3.535 2.897 63 2HB CYS 9 1HB CYS 9 -11.308 -4.041 4.071 64 H THR 10 H THR 10 -11.547 -0.144 5.675 65 HA THR 10 HA THR 10 -11.848 -1.716 8.101 66 HB THR 10 HB THR 10 -12.137 0.416 9.227 67 HG1 THR 10 1HG THR 10 -12.284 1.414 6.593 68 1HG2 THR 10 1HG2 THR 10 -10.011 1.220 9.076 69 2HG2 THR 10 2HG2 THR 10 -9.969 1.105 7.317 70 3HG2 THR 10 3HG2 THR 10 -9.796 -0.349 8.301 71 H LYS 11 H LYS 11 -13.672 -1.876 9.288 72 HA LYS 11 HA LYS 11 -15.804 -2.496 9.581 73 1HB LYS 11 2HB LYS 11 -17.340 -0.735 9.730 74 2HB LYS 11 1HB LYS 11 -15.764 -0.023 10.026 75 1HG LYS 11 2HG LYS 11 -15.744 0.803 7.700 76 2HG LYS 11 1HG LYS 11 -17.373 0.163 7.492 77 1HD LYS 11 2HD LYS 11 -18.232 1.621 9.191 78 2HD LYS 11 1HD LYS 11 -16.606 2.169 9.605 79 1HE LYS 11 2HE LYS 11 -16.467 3.549 7.810 80 2HE LYS 11 1HE LYS 11 -17.444 2.497 6.787 81 1HZ LYS 11 1HZ LYS 11 -18.322 4.798 7.763 82 2HZ LYS 11 2HZ LYS 11 -18.822 3.771 9.010 83 3HZ LYS 11 3HZ LYS 11 -19.347 3.494 7.426 84 H SER 12 H SER 12 -16.112 -0.726 6.427 85 HA SER 12 HA SER 12 -16.986 -3.195 5.219 86 1HB SER 12 2HB SER 12 -19.064 -2.561 6.175 87 2HB SER 12 1HB SER 12 -18.870 -0.908 5.612 88 HG SER 12 HG SER 12 -19.288 -3.217 4.027 89 H GLY 13 H GLY 13 -15.012 -0.806 4.840 90 1HA GLY 13 2HA GLY 13 -15.311 -0.816 1.942 91 2HA GLY 13 1HA GLY 13 -15.421 0.756 2.714 92 H CYS 14 H CYS 14 -13.483 -0.249 0.782 93 HA CYS 14 HA CYS 14 -10.999 -0.359 2.313 94 1HB CYS 14 2HB CYS 14 -11.469 -0.605 -0.654 95 2HB CYS 14 1HB CYS 14 -9.917 -0.773 0.152 96 H SER 15 H SER 15 -9.611 1.230 2.499 97 HA SER 15 HA SER 15 -9.937 3.614 0.822 98 1HB SER 15 2HB SER 15 -11.206 4.341 2.640 99 2HB SER 15 1HB SER 15 -10.197 3.495 3.811 100 HG SER 15 HG SER 15 -9.764 5.943 2.516 101 H VAL 16 H VAL 16 -8.122 5.277 1.568 102 HA VAL 16 HA VAL 16 -5.637 3.778 2.036 103 HB VAL 16 HB VAL 16 -5.928 5.950 -0.041 104 1HG1 VAL 16 1HG1 VAL 16 -3.711 6.051 0.035 105 2HG1 VAL 16 2HG1 VAL 16 -3.630 4.350 -0.410 106 3HG1 VAL 16 3HG1 VAL 16 -3.672 4.815 1.286 107 1HG2 VAL 16 1HG2 VAL 16 -5.262 3.941 -1.528 108 2HG2 VAL 16 2HG2 VAL 16 -6.955 4.183 -1.076 109 3HG2 VAL 16 3HG2 VAL 16 -5.969 2.990 -0.218 110 H ASN 17 H ASN 17 -4.725 4.558 3.814 111 HA ASN 17 HA ASN 17 -5.311 7.120 4.901 112 1HB ASN 17 2HB ASN 17 -3.857 4.801 5.707 113 2HB ASN 17 1HB ASN 17 -2.787 6.190 5.881 114 1HD2 ASN 17 1HD2 ASN 17 -3.567 4.806 8.081 115 2HD2 ASN 17 2HD2 ASN 17 -4.658 5.756 9.025 116 H TRP 18 H TRP 18 -3.264 6.051 2.431 117 HA TRP 18 HA TRP 18 -1.833 7.046 1.024 118 1HB TRP 18 2HB TRP 18 -3.071 9.483 2.280 119 2HB TRP 18 1HB TRP 18 -1.839 9.602 1.017 120 HD1 TRP 18 HD TRP 18 -5.489 9.288 1.406 121 HE1 TRP 18 1HE TRP 18 -6.594 8.624 -0.816 122 HE3 TRP 18 3HE TRP 18 -1.329 7.900 -1.163 123 HZ2 TRP 18 2HZ TRP 18 -5.797 7.627 -3.331 124 HZ3 TRP 18 3HZ TRP 18 -1.571 7.092 -3.474 125 HH2 TRP 18 HH TRP 18 -3.768 6.948 -4.528 126 H GLY 19 H GLY 19 -1.451 9.128 3.932 127 1HA GLY 19 2HA GLY 19 1.316 9.324 3.707 128 2HA GLY 19 1HA GLY 19 0.443 9.407 5.242 129 H GLU 20 H GLU 20 -0.675 6.700 4.804 130 HA GLU 20 HA GLU 20 1.443 5.175 6.003 131 1HB GLU 20 2HB GLU 20 -1.444 4.743 5.365 132 2HB GLU 20 1HB GLU 20 -0.435 3.321 5.576 133 1HG GLU 20 2HG GLU 20 -1.352 3.717 7.675 134 2HG GLU 20 1HG GLU 20 0.290 4.341 7.775 135 H ALA 21 H ALA 21 -0.263 5.306 2.930 136 HA ALA 21 HA ALA 21 1.045 3.089 1.698 137 1HB ALA 21 1HB ALA 21 -1.115 4.557 1.087 138 2HB ALA 21 2HB ALA 21 -0.237 3.592 -0.102 139 3HB ALA 21 3HB ALA 21 0.073 5.324 0.036 140 H PHE 22 H PHE 22 1.594 6.543 1.898 141 HA PHE 22 HA PHE 22 3.632 6.815 -0.010 142 1HB PHE 22 2HB PHE 22 2.462 8.718 1.061 143 2HB PHE 22 1HB PHE 22 3.228 8.316 2.595 144 HD1 PHE 22 1HD PHE 22 3.522 10.099 -0.489 145 HD2 PHE 22 2HD PHE 22 5.758 8.441 2.730 146 HE1 PHE 22 1HE PHE 22 5.433 11.530 -1.083 147 HE2 PHE 22 2HE PHE 22 7.672 9.868 2.140 148 HZ PHE 22 HZ PHE 22 7.511 11.416 0.232 149 H SER 23 H SER 23 3.576 5.852 3.347 150 HA SER 23 HA SER 23 6.403 5.712 3.728 151 1HB SER 23 2HB SER 23 4.940 5.795 5.670 152 2HB SER 23 1HB SER 23 4.126 4.314 5.167 153 HG SER 23 HG SER 23 6.173 4.481 6.747 154 H ALA 24 H ALA 24 3.970 3.612 2.409 155 HA ALA 24 HA ALA 24 5.568 1.236 2.344 156 1HB ALA 24 1HB ALA 24 3.749 0.221 1.356 157 2HB ALA 24 2HB ALA 24 3.281 1.678 0.479 158 3HB ALA 24 3HB ALA 24 2.963 1.551 2.208 159 H GLY 25 H GLY 25 4.571 3.656 -0.056 160 1HA GLY 25 2HA GLY 25 5.974 2.558 -2.236 161 2HA GLY 25 1HA GLY 25 5.456 4.231 -2.094 162 H VAL 26 H VAL 26 6.979 4.780 0.316 163 HA VAL 26 HA VAL 26 9.417 5.588 -0.877 164 HB VAL 26 HB VAL 26 8.683 5.414 2.061 165 1HG1 VAL 26 1HG1 VAL 26 11.018 5.524 2.044 166 2HG1 VAL 26 2HG1 VAL 26 10.514 7.206 2.217 167 3HG1 VAL 26 3HG1 VAL 26 11.050 6.602 0.648 168 1HG2 VAL 26 1HG2 VAL 26 8.878 8.031 0.752 169 2HG2 VAL 26 2HG2 VAL 26 7.682 7.410 1.891 170 3HG2 VAL 26 3HG2 VAL 26 7.557 7.013 0.176 171 H HIS 27 H HIS 27 8.580 2.883 1.271 172 HA HIS 27 HA HIS 27 11.218 1.992 1.708 173 1HB HIS 27 2HB HIS 27 8.733 0.264 1.552 174 2HB HIS 27 1HB HIS 27 10.231 -0.113 2.392 175 HD1 HIS 27 1HD HIS 27 10.298 2.970 3.519 176 HD2 HIS 27 2HD HIS 27 7.374 0.065 4.032 177 HE1 HIS 27 1HE HIS 27 9.060 3.622 5.594 178 HE2 HIS 27 2HE HIS 27 7.253 1.890 5.860 179 H ARG 28 H ARG 28 8.898 1.424 -0.863 180 HA ARG 28 HA ARG 28 10.455 -0.532 -2.250 181 1HB ARG 28 2HB ARG 28 8.050 -0.456 -2.548 182 2HB ARG 28 1HB ARG 28 8.138 1.200 -3.130 183 1HG ARG 28 2HG ARG 28 7.980 0.154 -5.123 184 2HG ARG 28 1HG ARG 28 9.732 0.063 -4.931 185 1HD ARG 28 2HD ARG 28 8.278 -2.143 -3.672 186 2HD ARG 28 1HD ARG 28 8.081 -2.061 -5.423 187 HE ARG 28 HE ARG 28 10.798 -1.775 -4.821 188 1HH1 ARG 28 1HH1 ARG 28 8.292 -4.198 -4.663 189 2HH1 ARG 28 2HH1 ARG 28 9.387 -5.524 -4.861 190 1HH2 ARG 28 1HH2 ARG 28 12.241 -3.522 -5.081 191 2HH2 ARG 28 2HH2 ARG 28 11.626 -5.142 -5.098 192 H LEU 29 H LEU 29 9.851 2.934 -2.682 193 HA LEU 29 HA LEU 29 11.499 3.256 -4.965 194 1HB LEU 29 2HB LEU 29 10.499 5.262 -2.961 195 2HB LEU 29 1HB LEU 29 11.275 5.671 -4.479 196 HG LEU 29 HG LEU 29 8.586 4.421 -4.047 197 1HD1 LEU 29 1HD1 LEU 29 9.654 7.003 -4.991 198 2HD1 LEU 29 2HD1 LEU 29 8.180 6.642 -4.094 199 3HD1 LEU 29 3HD1 LEU 29 8.240 6.373 -5.837 200 1HD2 LEU 29 1HD2 LEU 29 10.095 4.650 -6.640 201 2HD2 LEU 29 2HD2 LEU 29 8.427 4.106 -6.450 202 3HD2 LEU 29 3HD2 LEU 29 9.751 3.154 -5.777 203 H ALA 30 H ALA 30 11.873 4.354 -1.678 204 HA ALA 30 HA ALA 30 14.501 5.307 -1.938 205 1HB ALA 30 1HB ALA 30 13.697 4.474 0.750 206 2HB ALA 30 2HB ALA 30 12.546 5.519 -0.084 207 3HB ALA 30 3HB ALA 30 14.211 6.051 0.150 208 H ASN 31 H ASN 31 13.581 2.084 -1.961 209 HA ASN 31 HA ASN 31 15.835 1.109 -0.429 210 1HB ASN 31 2HB ASN 31 13.832 -0.233 -0.381 211 2HB ASN 31 1HB ASN 31 13.804 -0.343 -2.140 212 1HD2 ASN 31 1HD2 ASN 31 14.377 -2.276 -2.806 213 2HD2 ASN 31 2HD2 ASN 31 15.591 -3.284 -2.104 214 H GLY 32 H GLY 32 17.257 2.512 -1.861 215 1HA GLY 32 2HA GLY 32 18.455 0.763 -3.860 216 2HA GLY 32 1HA GLY 32 17.880 2.317 -4.442 217 H GLY 33 H GLY 33 18.832 4.259 -3.526 218 1HA GLY 33 2HA GLY 33 21.676 3.915 -3.147 219 2HA GLY 33 1HA GLY 33 20.816 5.440 -3.299 220 H ASN 34 H ASN 34 21.536 6.552 -1.582 221 HA ASN 34 HA ASN 34 20.675 5.681 1.040 222 1HB ASN 34 2HB ASN 34 22.918 6.021 2.058 223 2HB ASN 34 1HB ASN 34 22.870 4.652 0.950 224 1HD2 ASN 34 1HD2 ASN 34 25.157 6.169 1.831 225 2HD2 ASN 34 2HD2 ASN 34 25.884 6.837 0.413 226 H GLY 35 H GLY 35 19.708 7.386 1.902 227 1HA GLY 35 2HA GLY 35 19.438 9.544 2.696 228 2HA GLY 35 1HA GLY 35 21.002 9.955 2.007 229 H PHE 36 H PHE 36 18.444 11.422 1.959 230 HA PHE 36 HA PHE 36 17.478 11.283 -0.744 231 1HB PHE 36 2HB PHE 36 16.817 12.811 1.697 232 2HB PHE 36 1HB PHE 36 16.503 13.639 0.177 233 HD1 PHE 36 1HD PHE 36 14.889 12.745 -1.420 234 HD2 PHE 36 2HD PHE 36 15.522 10.915 2.369 235 HE1 PHE 36 1HE PHE 36 12.783 11.498 -1.675 236 HE2 PHE 36 2HE PHE 36 13.418 9.665 2.121 237 HZ PHE 36 HZ PHE 36 12.046 9.954 0.096 238 H TRP 37 H TRP 37 19.484 13.550 1.118 239 HA TRP 37 HA TRP 37 19.924 15.283 -1.124 240 1HB TRP 37 2HB TRP 37 21.465 15.113 1.476 241 2HB TRP 37 1HB TRP 37 21.498 16.448 0.330 242 HD1 TRP 37 HD TRP 37 19.633 15.161 3.307 243 HE1 TRP 37 1HE TRP 37 17.668 16.730 3.855 244 HE3 TRP 37 3HE TRP 37 19.673 18.026 -0.929 245 HZ2 TRP 37 2HZ TRP 37 16.315 18.895 2.654 246 HZ3 TRP 37 3HZ TRP 37 18.009 19.825 -1.150 247 HH2 TRP 37 HH TRP 37 16.366 20.250 0.605 Start of MODEL 12 1 HA LYS 1 HA LYS 1 -7.084 -5.857 7.922 2 1HB LYS 1 2HB LYS 1 -7.486 -6.818 5.617 3 2HB LYS 1 1HB LYS 1 -8.800 -7.045 6.767 4 1HG LYS 1 2HG LYS 1 -9.656 -4.796 5.661 5 2HG LYS 1 1HG LYS 1 -8.663 -5.376 4.321 6 1HD LYS 1 2HD LYS 1 -10.026 -7.638 5.072 7 2HD LYS 1 1HD LYS 1 -11.226 -6.372 5.322 8 1HE LYS 1 2HE LYS 1 -10.054 -5.752 2.877 9 2HE LYS 1 1HE LYS 1 -10.209 -7.508 2.859 10 1HZ LYS 1 1HZ LYS 1 -12.164 -6.129 2.021 11 2HZ LYS 1 2HZ LYS 1 -12.473 -5.784 3.647 12 3HZ LYS 1 3HZ LYS 1 -12.502 -7.385 3.103 13 H TYR 2 H TYR 2 -5.145 -4.864 7.704 14 HA TYR 2 HA TYR 2 -4.775 -2.800 5.728 15 1HB TYR 2 2HB TYR 2 -3.583 -3.389 8.147 16 2HB TYR 2 1HB TYR 2 -2.339 -3.800 6.968 17 HD1 TYR 2 1HD TYR 2 -0.980 -2.103 6.140 18 HD2 TYR 2 2HD TYR 2 -4.752 -1.162 7.821 19 HE1 TYR 2 1HE TYR 2 -0.479 0.280 5.898 20 HE2 TYR 2 2HE TYR 2 -4.260 1.233 7.606 21 HH TYR 2 HH TYR 2 -2.732 2.664 6.076 22 H TYR 3 H TYR 3 -3.449 -2.918 3.916 23 HA TYR 3 HA TYR 3 -2.888 -5.664 2.993 24 1HB TYR 3 2HB TYR 3 -3.841 -3.187 1.675 25 2HB TYR 3 1HB TYR 3 -2.749 -4.200 0.731 26 HD1 TYR 3 1HD TYR 3 -6.113 -3.657 1.663 27 HD2 TYR 3 2HD TYR 3 -3.356 -6.723 0.638 28 HE1 TYR 3 1HE TYR 3 -7.988 -5.128 1.058 29 HE2 TYR 3 2HE TYR 3 -5.221 -8.209 0.033 30 HH TYR 3 HH TYR 3 -8.366 -7.662 0.911 31 H GLY 4 H GLY 4 -1.055 -4.161 4.700 32 1HA GLY 4 2HA GLY 4 1.148 -3.500 4.807 33 2HA GLY 4 1HA GLY 4 1.386 -4.751 3.594 34 H ASN 5 H ASN 5 -0.671 -2.132 2.738 35 HA ASN 5 HA ASN 5 1.449 -0.564 1.517 36 1HB ASN 5 2HB ASN 5 -0.318 -2.384 0.026 37 2HB ASN 5 1HB ASN 5 -0.311 -0.737 -0.594 38 1HD2 ASN 5 1HD2 ASN 5 0.782 -3.306 -1.633 39 2HD2 ASN 5 2HD2 ASN 5 2.439 -2.970 -1.988 40 H GLY 6 H GLY 6 -0.075 0.187 3.630 41 1HA GLY 6 2HA GLY 6 -1.659 1.688 4.387 42 2HA GLY 6 1HA GLY 6 -1.091 2.640 3.030 43 H VAL 7 H VAL 7 -3.012 -0.345 3.224 44 HA VAL 7 HA VAL 7 -5.327 1.042 2.104 45 HB VAL 7 HB VAL 7 -3.911 -1.204 0.685 46 1HG1 VAL 7 1HG1 VAL 7 -6.765 -0.383 0.674 47 2HG1 VAL 7 2HG1 VAL 7 -6.062 -1.998 0.549 48 3HG1 VAL 7 3HG1 VAL 7 -6.028 -0.909 -0.840 49 1HG2 VAL 7 1HG2 VAL 7 -4.807 0.670 -1.121 50 2HG2 VAL 7 2HG2 VAL 7 -3.162 0.544 -0.490 51 3HG2 VAL 7 3HG2 VAL 7 -4.319 1.640 0.265 52 H HIS 8 H HIS 8 -6.862 0.539 3.474 53 HA HIS 8 HA HIS 8 -7.131 -2.267 4.291 54 1HB HIS 8 2HB HIS 8 -8.463 -0.875 6.253 55 2HB HIS 8 1HB HIS 8 -6.838 -1.533 6.399 56 HD1 HIS 8 1HD HIS 8 -8.515 1.426 7.121 57 HD2 HIS 8 2HD HIS 8 -4.953 0.567 5.164 58 HE1 HIS 8 1HE HIS 8 -7.198 3.562 7.182 59 HE2 HIS 8 2HE HIS 8 -5.017 3.014 6.039 60 H CYS 9 H CYS 9 -9.033 -3.198 3.787 61 HA CYS 9 HA CYS 9 -11.176 -1.418 2.887 62 1HB CYS 9 2HB CYS 9 -10.078 -3.492 1.526 63 2HB CYS 9 1HB CYS 9 -11.435 -4.296 2.309 64 H THR 10 H THR 10 -12.238 -0.948 4.714 65 HA THR 10 HA THR 10 -12.919 -3.052 6.601 66 HB THR 10 HB THR 10 -13.618 -1.280 8.065 67 HG1 THR 10 1HG THR 10 -13.574 0.258 5.707 68 1HG2 THR 10 1HG2 THR 10 -11.283 -0.027 6.681 69 2HG2 THR 10 2HG2 THR 10 -11.110 -1.533 7.583 70 3HG2 THR 10 3HG2 THR 10 -11.669 -0.075 8.402 71 H LYS 11 H LYS 11 -15.260 -2.257 7.651 72 HA LYS 11 HA LYS 11 -17.156 -3.423 5.969 73 1HB LYS 11 2HB LYS 11 -18.691 -3.104 7.687 74 2HB LYS 11 1HB LYS 11 -17.151 -3.145 8.533 75 1HG LYS 11 2HG LYS 11 -18.631 -0.635 7.772 76 2HG LYS 11 1HG LYS 11 -18.668 -1.394 9.363 77 1HD LYS 11 2HD LYS 11 -16.373 -0.953 9.733 78 2HD LYS 11 1HD LYS 11 -16.108 -0.528 8.041 79 1HE LYS 11 2HE LYS 11 -16.161 1.483 9.363 80 2HE LYS 11 1HE LYS 11 -17.592 1.424 8.335 81 1HZ LYS 11 1HZ LYS 11 -17.390 1.382 11.211 82 2HZ LYS 11 2HZ LYS 11 -18.452 0.224 10.586 83 3HZ LYS 11 3HZ LYS 11 -18.678 1.860 10.224 84 H SER 12 H SER 12 -15.974 -0.222 6.017 85 HA SER 12 HA SER 12 -18.334 0.860 4.688 86 1HB SER 12 2HB SER 12 -16.680 2.944 4.660 87 2HB SER 12 1HB SER 12 -17.579 2.504 6.112 88 HG SER 12 HG SER 12 -14.915 1.726 5.507 89 H GLY 13 H GLY 13 -15.225 -0.421 3.971 90 1HA GLY 13 2HA GLY 13 -15.250 -1.085 1.483 91 2HA GLY 13 1HA GLY 13 -15.309 0.654 1.233 92 H CYS 14 H CYS 14 -13.300 0.319 0.032 93 HA CYS 14 HA CYS 14 -10.948 -0.302 1.636 94 1HB CYS 14 2HB CYS 14 -11.301 0.260 -1.294 95 2HB CYS 14 1HB CYS 14 -9.736 0.046 -0.529 96 H SER 15 H SER 15 -9.524 1.103 2.360 97 HA SER 15 HA SER 15 -9.759 3.902 1.506 98 1HB SER 15 2HB SER 15 -9.964 2.820 4.296 99 2HB SER 15 1HB SER 15 -9.278 4.421 4.029 100 HG SER 15 HG SER 15 -11.849 3.679 4.041 101 H VAL 16 H VAL 16 -7.847 5.204 2.446 102 HA VAL 16 HA VAL 16 -5.434 3.560 2.634 103 HB VAL 16 HB VAL 16 -5.697 5.883 0.728 104 1HG1 VAL 16 1HG1 VAL 16 -3.475 5.965 0.770 105 2HG1 VAL 16 2HG1 VAL 16 -3.410 4.291 0.229 106 3HG1 VAL 16 3HG1 VAL 16 -3.429 4.659 1.951 107 1HG2 VAL 16 1HG2 VAL 16 -6.701 4.265 -0.496 108 2HG2 VAL 16 2HG2 VAL 16 -5.894 2.959 0.383 109 3HG2 VAL 16 3HG2 VAL 16 -5.015 3.877 -0.850 110 H ASN 17 H ASN 17 -4.215 4.208 4.287 111 HA ASN 17 HA ASN 17 -4.760 6.609 5.724 112 1HB ASN 17 2HB ASN 17 -3.818 4.463 6.699 113 2HB ASN 17 1HB ASN 17 -2.284 4.900 5.954 114 1HD2 ASN 17 1HD2 ASN 17 -1.466 7.103 6.529 115 2HD2 ASN 17 2HD2 ASN 17 -1.667 7.619 8.165 116 H TRP 18 H TRP 18 -2.851 5.788 3.052 117 HA TRP 18 HA TRP 18 -1.524 6.915 1.644 118 1HB TRP 18 2HB TRP 18 -2.720 9.225 3.158 119 2HB TRP 18 1HB TRP 18 -1.561 9.467 1.845 120 HD1 TRP 18 HD TRP 18 -5.177 9.084 2.394 121 HE1 TRP 18 1HE TRP 18 -6.392 8.554 0.193 122 HE3 TRP 18 3HE TRP 18 -1.147 7.913 -0.469 123 HZ2 TRP 18 2HZ TRP 18 -5.720 7.731 -2.418 124 HZ3 TRP 18 3HZ TRP 18 -1.503 7.255 -2.813 125 HH2 TRP 18 HH TRP 18 -3.752 7.153 -3.756 126 H GLY 19 H GLY 19 -1.035 8.563 4.805 127 1HA GLY 19 2HA GLY 19 1.713 8.934 4.393 128 2HA GLY 19 1HA GLY 19 0.941 8.836 5.980 129 H GLU 20 H GLU 20 -0.121 6.165 5.457 130 HA GLU 20 HA GLU 20 2.152 4.621 6.295 131 1HB GLU 20 2HB GLU 20 -0.663 4.408 6.496 132 2HB GLU 20 1HB GLU 20 -0.128 2.998 5.590 133 1HG GLU 20 2HG GLU 20 1.349 3.705 8.062 134 2HG GLU 20 1HG GLU 20 -0.263 3.014 8.225 135 H ALA 21 H ALA 21 0.064 4.811 3.450 136 HA ALA 21 HA ALA 21 1.332 2.734 1.968 137 1HB ALA 21 1HB ALA 21 -0.126 5.077 0.795 138 2HB ALA 21 2HB ALA 21 -0.984 3.774 1.613 139 3HB ALA 21 3HB ALA 21 -0.023 3.429 0.175 140 H PHE 22 H PHE 22 1.670 6.214 2.194 141 HA PHE 22 HA PHE 22 3.427 6.676 0.072 142 1HB PHE 22 2HB PHE 22 2.370 8.515 1.236 143 2HB PHE 22 1HB PHE 22 3.133 8.042 2.757 144 HD1 PHE 22 1HD PHE 22 5.047 9.113 3.406 145 HD2 PHE 22 2HD PHE 22 4.047 9.023 -0.716 146 HE1 PHE 22 1HE PHE 22 6.954 10.590 2.915 147 HE2 PHE 22 2HE PHE 22 5.939 10.506 -1.218 148 HZ PHE 22 HZ PHE 22 7.401 11.285 0.598 149 H SER 23 H SER 23 3.894 5.613 3.359 150 HA SER 23 HA SER 23 6.756 5.692 3.306 151 1HB SER 23 2HB SER 23 6.692 4.647 5.423 152 2HB SER 23 1HB SER 23 5.208 5.595 5.386 153 HG SER 23 HG SER 23 4.337 3.739 5.878 154 H ALA 24 H ALA 24 4.293 3.460 2.325 155 HA ALA 24 HA ALA 24 6.000 1.180 2.004 156 1HB ALA 24 1HB ALA 24 3.410 1.291 2.253 157 2HB ALA 24 2HB ALA 24 4.128 0.078 1.193 158 3HB ALA 24 3HB ALA 24 3.437 1.551 0.508 159 H GLY 25 H GLY 25 4.582 3.616 -0.142 160 1HA GLY 25 2HA GLY 25 5.651 2.678 -2.562 161 2HA GLY 25 1HA GLY 25 5.182 4.344 -2.238 162 H VAL 26 H VAL 26 6.927 5.083 -0.261 163 HA VAL 26 HA VAL 26 9.253 5.760 -1.680 164 HB VAL 26 HB VAL 26 8.834 5.646 1.319 165 1HG1 VAL 26 1HG1 VAL 26 10.978 6.920 -0.361 166 2HG1 VAL 26 2HG1 VAL 26 11.165 5.784 0.977 167 3HG1 VAL 26 3HG1 VAL 26 10.627 7.435 1.289 168 1HG2 VAL 26 1HG2 VAL 26 7.252 7.042 -0.004 169 2HG2 VAL 26 2HG2 VAL 26 8.635 8.014 -0.519 170 3HG2 VAL 26 3HG2 VAL 26 8.208 7.918 1.194 171 H HIS 27 H HIS 27 8.689 3.170 0.703 172 HA HIS 27 HA HIS 27 11.334 2.289 0.920 173 1HB HIS 27 2HB HIS 27 8.725 0.778 1.169 174 2HB HIS 27 1HB HIS 27 10.291 0.074 1.560 175 HD1 HIS 27 1HD HIS 27 10.000 3.595 2.461 176 HD2 HIS 27 2HD HIS 27 9.212 -0.071 4.245 177 HE1 HIS 27 1HE HIS 27 9.735 4.082 4.897 178 HE2 HIS 27 2HE HIS 27 9.221 1.860 5.967 179 H ARG 28 H ARG 28 8.882 1.671 -1.495 180 HA ARG 28 HA ARG 28 10.485 -0.318 -2.854 181 1HB ARG 28 2HB ARG 28 7.937 1.045 -3.755 182 2HB ARG 28 1HB ARG 28 8.665 -0.383 -4.479 183 1HG ARG 28 2HG ARG 28 8.260 -1.649 -2.447 184 2HG ARG 28 1HG ARG 28 7.589 -0.213 -1.671 185 1HD ARG 28 2HD ARG 28 5.676 -1.285 -2.368 186 2HD ARG 28 1HD ARG 28 5.982 -0.201 -3.724 187 HE ARG 28 HE ARG 28 7.273 -2.492 -4.413 188 1HH1 ARG 28 1HH1 ARG 28 4.002 -1.747 -3.453 189 2HH1 ARG 28 2HH1 ARG 28 3.304 -3.031 -4.380 190 1HH2 ARG 28 1HH2 ARG 28 6.355 -4.183 -5.634 191 2HH2 ARG 28 2HH2 ARG 28 4.639 -4.414 -5.618 192 H LEU 29 H LEU 29 9.485 3.031 -3.355 193 HA LEU 29 HA LEU 29 10.779 3.346 -5.867 194 1HB LEU 29 2HB LEU 29 8.872 4.671 -5.410 195 2HB LEU 29 1HB LEU 29 9.558 5.270 -3.914 196 HG LEU 29 HG LEU 29 11.161 6.616 -5.121 197 1HD1 LEU 29 1HD1 LEU 29 11.408 4.949 -7.005 198 2HD1 LEU 29 2HD1 LEU 29 11.385 6.650 -7.470 199 3HD1 LEU 29 3HD1 LEU 29 9.948 5.655 -7.697 200 1HD2 LEU 29 1HD2 LEU 29 8.604 7.223 -4.878 201 2HD2 LEU 29 2HD2 LEU 29 8.664 7.158 -6.640 202 3HD2 LEU 29 3HD2 LEU 29 9.718 8.266 -5.763 203 H ALA 30 H ALA 30 11.481 4.742 -2.678 204 HA ALA 30 HA ALA 30 13.897 5.959 -3.477 205 1HB ALA 30 1HB ALA 30 13.117 6.998 -1.639 206 2HB ALA 30 2HB ALA 30 14.169 5.844 -0.818 207 3HB ALA 30 3HB ALA 30 12.440 5.520 -0.959 208 H ASN 31 H ASN 31 13.200 2.739 -2.323 209 HA ASN 31 HA ASN 31 15.970 2.213 -1.679 210 1HB ASN 31 2HB ASN 31 13.654 1.125 -0.786 211 2HB ASN 31 1HB ASN 31 14.139 -0.082 -1.975 212 1HD2 ASN 31 1HD2 ASN 31 14.456 0.940 1.173 213 2HD2 ASN 31 2HD2 ASN 31 15.860 0.035 1.613 214 H GLY 32 H GLY 32 13.678 1.322 -4.232 215 1HA GLY 32 2HA GLY 32 14.006 0.337 -6.289 216 2HA GLY 32 1HA GLY 32 15.481 1.290 -6.315 217 H GLY 33 H GLY 33 14.166 -1.769 -5.040 218 1HA GLY 33 2HA GLY 33 16.802 -2.895 -4.754 219 2HA GLY 33 1HA GLY 33 15.275 -3.718 -4.479 220 H ASN 34 H ASN 34 15.643 -5.542 -5.606 221 HA ASN 34 HA ASN 34 16.481 -5.327 -8.399 222 1HB ASN 34 2HB ASN 34 16.448 -7.559 -6.402 223 2HB ASN 34 1HB ASN 34 16.463 -7.935 -8.122 224 1HD2 ASN 34 1HD2 ASN 34 18.413 -7.883 -5.657 225 2HD2 ASN 34 2HD2 ASN 34 19.877 -7.308 -6.371 226 H GLY 35 H GLY 35 14.168 -7.426 -6.678 227 1HA GLY 35 2HA GLY 35 12.507 -7.562 -9.052 228 2HA GLY 35 1HA GLY 35 12.254 -8.431 -7.546 229 H PHE 36 H PHE 36 10.886 -6.231 -9.489 230 HA PHE 36 HA PHE 36 9.985 -4.300 -7.554 231 1HB PHE 36 2HB PHE 36 8.845 -4.850 -10.304 232 2HB PHE 36 1HB PHE 36 8.656 -3.384 -9.348 233 HD1 PHE 36 1HD PHE 36 10.435 -4.879 -11.961 234 HD2 PHE 36 2HD PHE 36 10.923 -2.222 -8.673 235 HE1 PHE 36 1HE PHE 36 12.439 -3.932 -13.029 236 HE2 PHE 36 2HE PHE 36 12.927 -1.268 -9.735 237 HZ PHE 36 HZ PHE 36 13.687 -2.124 -11.916 238 H TRP 37 H TRP 37 9.377 -6.487 -6.281 239 HA TRP 37 HA TRP 37 6.537 -6.429 -6.067 240 1HB TRP 37 2HB TRP 37 6.664 -7.969 -7.957 241 2HB TRP 37 1HB TRP 37 7.806 -8.985 -7.082 242 HD1 TRP 37 HD TRP 37 6.768 -10.975 -5.858 243 HE1 TRP 37 1HE TRP 37 4.408 -11.625 -5.061 244 HE3 TRP 37 3HE TRP 37 4.290 -6.669 -7.063 245 HZ2 TRP 37 2HZ TRP 37 1.837 -10.465 -4.958 246 HZ3 TRP 37 3HZ TRP 37 1.882 -6.520 -6.581 247 HH2 TRP 37 HH TRP 37 0.682 -8.379 -5.551 Start of MODEL 13 1 HA LYS 1 HA LYS 1 -7.456 -5.385 8.437 2 1HB LYS 1 2HB LYS 1 -8.476 -7.300 7.515 3 2HB LYS 1 1HB LYS 1 -8.850 -6.470 6.004 4 1HG LYS 1 2HG LYS 1 -6.734 -6.717 5.167 5 2HG LYS 1 1HG LYS 1 -5.999 -6.873 6.760 6 1HD LYS 1 2HD LYS 1 -6.711 -9.103 6.996 7 2HD LYS 1 1HD LYS 1 -7.883 -8.955 5.687 8 1HE LYS 1 2HE LYS 1 -5.302 -8.353 4.652 9 2HE LYS 1 1HE LYS 1 -5.193 -9.854 5.568 10 1HZ LYS 1 1HZ LYS 1 -5.770 -10.152 3.193 11 2HZ LYS 1 2HZ LYS 1 -7.229 -9.343 3.469 12 3HZ LYS 1 3HZ LYS 1 -6.915 -10.810 4.250 13 H TYR 2 H TYR 2 -5.359 -5.195 7.542 14 HA TYR 2 HA TYR 2 -5.085 -3.014 5.638 15 1HB TYR 2 2HB TYR 2 -3.589 -3.827 7.851 16 2HB TYR 2 1HB TYR 2 -2.585 -4.221 6.453 17 HD1 TYR 2 1HD TYR 2 -1.317 -2.529 5.450 18 HD2 TYR 2 2HD TYR 2 -4.660 -1.540 7.851 19 HE1 TYR 2 1HE TYR 2 -0.764 -0.160 5.211 20 HE2 TYR 2 2HE TYR 2 -4.111 0.842 7.654 21 HH TYR 2 HH TYR 2 -2.887 2.313 6.102 22 H TYR 3 H TYR 3 -3.175 -3.427 3.989 23 HA TYR 3 HA TYR 3 -3.368 -6.181 2.971 24 1HB TYR 3 2HB TYR 3 -4.156 -3.667 1.602 25 2HB TYR 3 1HB TYR 3 -3.307 -4.867 0.627 26 HD1 TYR 3 1HD TYR 3 -4.235 -7.211 0.531 27 HD2 TYR 3 2HD TYR 3 -6.445 -3.954 2.148 28 HE1 TYR 3 1HE TYR 3 -6.304 -8.517 0.313 29 HE2 TYR 3 2HE TYR 3 -8.521 -5.250 1.927 30 HH TYR 3 HH TYR 3 -8.794 -7.986 0.079 31 H GLY 4 H GLY 4 -1.534 -3.207 3.186 32 1HA GLY 4 2HA GLY 4 0.917 -3.853 3.579 33 2HA GLY 4 1HA GLY 4 0.777 -4.562 1.970 34 H ASN 5 H ASN 5 -0.924 -2.549 0.901 35 HA ASN 5 HA ASN 5 1.051 -0.407 0.522 36 1HB ASN 5 2HB ASN 5 -1.176 -1.532 -1.161 37 2HB ASN 5 1HB ASN 5 -0.554 0.087 -1.480 38 1HD2 ASN 5 1HD2 ASN 5 1.752 0.283 -1.885 39 2HD2 ASN 5 2HD2 ASN 5 2.583 -1.012 -2.671 40 H GLY 6 H GLY 6 -0.208 -0.166 2.896 41 1HA GLY 6 2HA GLY 6 -1.529 1.227 4.165 42 2HA GLY 6 1HA GLY 6 -1.360 2.365 2.841 43 H VAL 7 H VAL 7 -2.803 -0.678 2.127 44 HA VAL 7 HA VAL 7 -5.391 0.692 1.814 45 HB VAL 7 HB VAL 7 -4.273 -1.726 0.415 46 1HG1 VAL 7 1HG1 VAL 7 -7.076 -0.752 0.713 47 2HG1 VAL 7 2HG1 VAL 7 -6.462 -2.407 0.804 48 3HG1 VAL 7 3HG1 VAL 7 -6.577 -1.588 -0.758 49 1HG2 VAL 7 1HG2 VAL 7 -5.546 0.154 -1.273 50 2HG2 VAL 7 2HG2 VAL 7 -3.830 -0.253 -1.190 51 3HG2 VAL 7 3HG2 VAL 7 -4.482 1.047 -0.189 52 H HIS 8 H HIS 8 -7.030 0.218 3.066 53 HA HIS 8 HA HIS 8 -7.236 -2.468 4.171 54 1HB HIS 8 2HB HIS 8 -8.242 -0.957 6.244 55 2HB HIS 8 1HB HIS 8 -6.673 -1.757 6.221 56 HD1 HIS 8 1HD HIS 8 -7.992 1.344 7.079 57 HD2 HIS 8 2HD HIS 8 -4.750 0.121 4.797 58 HE1 HIS 8 1HE HIS 8 -6.478 3.342 6.970 59 HE2 HIS 8 2HE HIS 8 -4.613 2.645 5.425 60 H CYS 9 H CYS 9 -9.241 -3.267 4.071 61 HA CYS 9 HA CYS 9 -11.344 -1.405 3.251 62 1HB CYS 9 2HB CYS 9 -11.359 -4.406 2.960 63 2HB CYS 9 1HB CYS 9 -12.495 -3.257 2.263 64 H THR 10 H THR 10 -12.348 -0.714 5.013 65 HA THR 10 HA THR 10 -12.870 -2.572 7.203 66 HB THR 10 HB THR 10 -13.337 -0.625 8.543 67 HG1 THR 10 1HG THR 10 -13.364 0.694 6.054 68 1HG2 THR 10 1HG2 THR 10 -11.030 0.239 6.838 69 2HG2 THR 10 2HG2 THR 10 -10.916 -1.115 7.963 70 3HG2 THR 10 3HG2 THR 10 -11.289 0.501 8.564 71 H LYS 11 H LYS 11 -15.060 -1.486 8.360 72 HA LYS 11 HA LYS 11 -17.153 -2.728 6.989 73 1HB LYS 11 2HB LYS 11 -18.551 -1.979 8.753 74 2HB LYS 11 1HB LYS 11 -16.969 -2.290 9.458 75 1HG LYS 11 2HG LYS 11 -16.472 0.076 9.477 76 2HG LYS 11 1HG LYS 11 -18.004 0.426 8.675 77 1HD LYS 11 2HD LYS 11 -18.592 -1.143 10.952 78 2HD LYS 11 1HD LYS 11 -17.465 0.116 11.463 79 1HE LYS 11 2HE LYS 11 -20.019 0.580 9.928 80 2HE LYS 11 1HE LYS 11 -19.820 0.813 11.665 81 1HZ LYS 11 1HZ LYS 11 -19.614 2.902 10.501 82 2HZ LYS 11 2HZ LYS 11 -18.378 2.285 9.525 83 3HZ LYS 11 3HZ LYS 11 -18.123 2.486 11.185 84 H SER 12 H SER 12 -15.803 0.380 6.558 85 HA SER 12 HA SER 12 -18.219 1.479 5.364 86 1HB SER 12 2HB SER 12 -15.848 2.573 6.536 87 2HB SER 12 1HB SER 12 -16.014 3.190 4.895 88 HG SER 12 HG SER 12 -17.856 3.376 7.035 89 H GLY 13 H GLY 13 -15.245 -0.037 4.476 90 1HA GLY 13 2HA GLY 13 -15.625 -1.042 2.117 91 2HA GLY 13 1HA GLY 13 -15.615 0.652 1.644 92 H CYS 14 H CYS 14 -13.758 0.047 0.299 93 HA CYS 14 HA CYS 14 -11.308 -0.508 1.775 94 1HB CYS 14 2HB CYS 14 -11.799 -0.321 -1.192 95 2HB CYS 14 1HB CYS 14 -10.250 -0.688 -0.443 96 H SER 15 H SER 15 -9.875 0.928 2.301 97 HA SER 15 HA SER 15 -9.889 3.528 0.927 98 1HB SER 15 2HB SER 15 -9.891 3.184 3.937 99 2HB SER 15 1HB SER 15 -9.700 4.714 3.083 100 HG SER 15 HG SER 15 -11.800 4.762 3.243 101 H VAL 16 H VAL 16 -7.955 4.875 2.052 102 HA VAL 16 HA VAL 16 -5.642 3.119 2.388 103 HB VAL 16 HB VAL 16 -5.695 5.411 0.427 104 1HG1 VAL 16 1HG1 VAL 16 -3.501 5.376 1.046 105 2HG1 VAL 16 2HG1 VAL 16 -3.459 4.112 -0.181 106 3HG1 VAL 16 3HG1 VAL 16 -3.549 3.685 1.529 107 1HG2 VAL 16 1HG2 VAL 16 -5.032 3.343 -1.075 108 2HG2 VAL 16 2HG2 VAL 16 -6.711 3.835 -0.828 109 3HG2 VAL 16 3HG2 VAL 16 -6.028 2.499 0.116 110 H ASN 17 H ASN 17 -4.314 3.817 3.976 111 HA ASN 17 HA ASN 17 -4.943 6.173 5.450 112 1HB ASN 17 2HB ASN 17 -3.146 3.911 5.733 113 2HB ASN 17 1HB ASN 17 -2.371 5.415 6.225 114 1HD2 ASN 17 1HD2 ASN 17 -3.307 3.070 7.780 115 2HD2 ASN 17 2HD2 ASN 17 -4.360 3.718 8.987 116 H TRP 18 H TRP 18 -2.941 5.447 2.792 117 HA TRP 18 HA TRP 18 -1.669 6.672 1.405 118 1HB TRP 18 2HB TRP 18 -2.991 8.901 2.934 119 2HB TRP 18 1HB TRP 18 -1.846 9.206 1.620 120 HD1 TRP 18 HD TRP 18 -5.437 8.649 2.157 121 HE1 TRP 18 1HE TRP 18 -6.617 8.053 -0.046 122 HE3 TRP 18 3HE TRP 18 -1.348 7.633 -0.667 123 HZ2 TRP 18 2HZ TRP 18 -5.888 7.239 -2.648 124 HZ3 TRP 18 3HZ TRP 18 -1.655 6.941 -3.006 125 HH2 TRP 18 HH TRP 18 -3.886 6.729 -3.961 126 H GLY 19 H GLY 19 -1.294 8.236 4.627 127 1HA GLY 19 2HA GLY 19 1.450 8.740 4.226 128 2HA GLY 19 1HA GLY 19 0.666 8.610 5.805 129 H GLU 20 H GLU 20 -0.301 5.882 5.130 130 HA GLU 20 HA GLU 20 1.986 4.405 6.060 131 1HB GLU 20 2HB GLU 20 -0.901 3.928 5.712 132 2HB GLU 20 1HB GLU 20 0.100 2.517 5.381 133 1HG GLU 20 2HG GLU 20 0.539 4.090 7.879 134 2HG GLU 20 1HG GLU 20 -0.803 2.951 7.780 135 H ALA 21 H ALA 21 0.065 4.656 3.113 136 HA ALA 21 HA ALA 21 1.508 2.705 1.621 137 1HB ALA 21 1HB ALA 21 -0.070 5.044 0.578 138 2HB ALA 21 2HB ALA 21 -0.807 3.544 1.145 139 3HB ALA 21 3HB ALA 21 0.273 3.525 -0.252 140 H PHE 22 H PHE 22 1.763 6.160 2.163 141 HA PHE 22 HA PHE 22 3.641 6.803 0.166 142 1HB PHE 22 2HB PHE 22 2.385 8.468 1.577 143 2HB PHE 22 1HB PHE 22 3.404 8.013 2.939 144 HD1 PHE 22 1HD PHE 22 5.892 8.404 2.765 145 HD2 PHE 22 2HD PHE 22 3.103 10.046 0.001 146 HE1 PHE 22 1HE PHE 22 7.577 10.047 2.045 147 HE2 PHE 22 2HE PHE 22 4.784 11.692 -0.723 148 HZ PHE 22 HZ PHE 22 7.025 11.692 0.299 149 H SER 23 H SER 23 3.843 5.504 3.391 150 HA SER 23 HA SER 23 6.685 5.549 3.641 151 1HB SER 23 2HB SER 23 4.698 5.104 5.413 152 2HB SER 23 1HB SER 23 5.141 3.436 5.058 153 HG SER 23 HG SER 23 6.876 3.698 6.198 154 H ALA 24 H ALA 24 4.367 3.402 2.204 155 HA ALA 24 HA ALA 24 6.156 1.181 1.891 156 1HB ALA 24 1HB ALA 24 3.537 1.248 1.911 157 2HB ALA 24 2HB ALA 24 4.388 0.083 0.896 158 3HB ALA 24 3HB ALA 24 3.736 1.560 0.185 159 H GLY 25 H GLY 25 4.839 3.695 -0.236 160 1HA GLY 25 2HA GLY 25 6.203 2.907 -2.570 161 2HA GLY 25 1HA GLY 25 5.562 4.513 -2.255 162 H VAL 26 H VAL 26 7.143 5.002 0.108 163 HA VAL 26 HA VAL 26 9.472 6.068 -1.117 164 HB VAL 26 HB VAL 26 8.881 5.708 1.835 165 1HG1 VAL 26 1HG1 VAL 26 10.546 7.570 2.078 166 2HG1 VAL 26 2HG1 VAL 26 10.969 7.324 0.384 167 3HG1 VAL 26 3HG1 VAL 26 11.229 6.030 1.553 168 1HG2 VAL 26 1HG2 VAL 26 8.735 8.389 0.676 169 2HG2 VAL 26 2HG2 VAL 26 7.641 7.570 1.790 170 3HG2 VAL 26 3HG2 VAL 26 7.517 7.273 0.057 171 H HIS 27 H HIS 27 8.866 3.187 0.849 172 HA HIS 27 HA HIS 27 11.565 2.477 1.243 173 1HB HIS 27 2HB HIS 27 9.123 0.692 1.036 174 2HB HIS 27 1HB HIS 27 10.692 0.195 1.655 175 HD1 HIS 27 1HD HIS 27 10.335 3.455 2.873 176 HD2 HIS 27 2HD HIS 27 8.626 -0.190 3.892 177 HE1 HIS 27 1HE HIS 27 9.489 3.740 5.208 178 HE2 HIS 27 2HE HIS 27 8.558 1.493 5.854 179 H ARG 28 H ARG 28 9.239 1.715 -1.297 180 HA ARG 28 HA ARG 28 11.013 0.078 -2.818 181 1HB ARG 28 2HB ARG 28 8.496 1.503 -3.696 182 2HB ARG 28 1HB ARG 28 9.290 0.185 -4.545 183 1HG ARG 28 2HG ARG 28 8.628 -1.393 -2.974 184 2HG ARG 28 1HG ARG 28 8.313 -0.172 -1.740 185 1HD ARG 28 2HD ARG 28 6.173 -0.695 -2.389 186 2HD ARG 28 1HD ARG 28 6.523 0.666 -3.453 187 HE ARG 28 HE ARG 28 7.273 -1.698 -4.753 188 1HH1 ARG 28 1HH1 ARG 28 4.388 -0.060 -3.670 189 2HH1 ARG 28 2HH1 ARG 28 3.385 -0.748 -4.901 190 1HH2 ARG 28 1HH2 ARG 28 5.953 -2.604 -6.374 191 2HH2 ARG 28 2HH2 ARG 28 4.272 -2.193 -6.437 192 H LEU 29 H LEU 29 9.935 3.445 -3.041 193 HA LEU 29 HA LEU 29 11.358 4.052 -5.417 194 1HB LEU 29 2HB LEU 29 9.492 5.392 -4.922 195 2HB LEU 29 1HB LEU 29 10.049 5.712 -3.291 196 HG LEU 29 HG LEU 29 11.846 7.129 -4.166 197 1HD1 LEU 29 1HD1 LEU 29 10.767 6.201 -6.794 198 2HD1 LEU 29 2HD1 LEU 29 12.438 6.297 -6.240 199 3HD1 LEU 29 3HD1 LEU 29 11.561 7.769 -6.658 200 1HD2 LEU 29 1HD2 LEU 29 9.479 8.188 -5.587 201 2HD2 LEU 29 2HD2 LEU 29 10.519 8.951 -4.384 202 3HD2 LEU 29 3HD2 LEU 29 9.278 7.804 -3.877 203 H ALA 30 H ALA 30 12.012 4.610 -2.010 204 HA ALA 30 HA ALA 30 14.438 6.028 -2.416 205 1HB ALA 30 1HB ALA 30 14.606 6.103 -0.085 206 2HB ALA 30 2HB ALA 30 13.681 4.613 0.116 207 3HB ALA 30 3HB ALA 30 12.870 6.089 -0.406 208 H ASN 31 H ASN 31 13.760 2.755 -2.772 209 HA ASN 31 HA ASN 31 16.275 1.776 -1.752 210 1HB ASN 31 2HB ASN 31 14.163 0.409 -1.772 211 2HB ASN 31 1HB ASN 31 14.310 0.319 -3.525 212 1HD2 ASN 31 1HD2 ASN 31 15.544 -1.220 -4.379 213 2HD2 ASN 31 2HD2 ASN 31 16.590 -2.268 -3.489 214 H GLY 32 H GLY 32 15.048 2.997 -4.741 215 1HA GLY 32 2HA GLY 32 16.606 3.794 -6.395 216 2HA GLY 32 1HA GLY 32 17.671 2.461 -5.974 217 H GLY 33 H GLY 33 14.195 2.245 -6.545 218 1HA GLY 33 2HA GLY 33 12.989 1.208 -8.208 219 2HA GLY 33 1HA GLY 33 14.402 1.371 -9.240 220 H ASN 34 H ASN 34 12.385 -0.810 -7.788 221 HA ASN 34 HA ASN 34 14.384 -2.882 -7.382 222 1HB ASN 34 2HB ASN 34 12.518 -4.267 -6.623 223 2HB ASN 34 1HB ASN 34 12.495 -2.705 -5.809 224 1HD2 ASN 34 1HD2 ASN 34 10.520 -4.910 -6.929 225 2HD2 ASN 34 2HD2 ASN 34 9.215 -3.940 -7.517 226 H GLY 35 H GLY 35 12.158 -1.807 -9.795 227 1HA GLY 35 2HA GLY 35 13.246 -3.552 -11.759 228 2HA GLY 35 1HA GLY 35 11.655 -4.108 -11.254 229 H PHE 36 H PHE 36 12.528 -3.095 -13.862 230 HA PHE 36 HA PHE 36 10.330 -1.311 -14.327 231 1HB PHE 36 2HB PHE 36 12.403 0.088 -13.525 232 2HB PHE 36 1HB PHE 36 12.975 -0.181 -15.167 233 HD1 PHE 36 1HD PHE 36 10.380 1.394 -13.105 234 HD2 PHE 36 2HD PHE 36 11.954 0.917 -17.030 235 HE1 PHE 36 1HE PHE 36 9.005 3.280 -13.881 236 HE2 PHE 36 2HE PHE 36 10.582 2.803 -17.814 237 HZ PHE 36 HZ PHE 36 9.105 3.988 -16.238 238 H TRP 37 H TRP 37 9.471 -2.073 -16.127 239 HA TRP 37 HA TRP 37 10.969 -3.683 -17.968 240 1HB TRP 37 2HB TRP 37 8.775 -3.667 -19.257 241 2HB TRP 37 1HB TRP 37 8.714 -4.335 -17.628 242 HD1 TRP 37 HD TRP 37 7.563 -1.299 -19.664 243 HE1 TRP 37 1HE TRP 37 5.710 -0.087 -18.351 244 HE3 TRP 37 3HE TRP 37 7.812 -3.931 -15.287 245 HZ2 TRP 37 2HZ TRP 37 4.513 -0.227 -15.798 246 HZ3 TRP 37 3HZ TRP 37 6.279 -3.328 -13.460 247 HH2 TRP 37 HH TRP 37 4.664 -1.513 -13.711 Start of MODEL 14 1 HA LYS 1 HA LYS 1 -7.039 -6.003 7.545 2 1HB LYS 1 2HB LYS 1 -7.887 -6.748 5.286 3 2HB LYS 1 1HB LYS 1 -9.026 -6.925 6.613 4 1HG LYS 1 2HG LYS 1 -9.753 -4.504 5.766 5 2HG LYS 1 1HG LYS 1 -9.103 -5.144 4.253 6 1HD LYS 1 2HD LYS 1 -11.096 -6.644 5.936 7 2HD LYS 1 1HD LYS 1 -11.578 -5.515 4.670 8 1HE LYS 1 2HE LYS 1 -11.428 -7.214 3.239 9 2HE LYS 1 1HE LYS 1 -9.679 -7.140 3.459 10 1HZ LYS 1 1HZ LYS 1 -10.574 -9.371 3.833 11 2HZ LYS 1 2HZ LYS 1 -11.532 -8.785 5.098 12 3HZ LYS 1 3HZ LYS 1 -9.846 -8.750 5.230 13 H TYR 2 H TYR 2 -5.058 -5.190 7.103 14 HA TYR 2 HA TYR 2 -4.746 -2.998 5.245 15 1HB TYR 2 2HB TYR 2 -3.286 -3.919 7.427 16 2HB TYR 2 1HB TYR 2 -2.258 -4.258 6.035 17 HD1 TYR 2 1HD TYR 2 -4.266 -1.609 7.596 18 HD2 TYR 2 2HD TYR 2 -0.989 -2.521 5.085 19 HE1 TYR 2 1HE TYR 2 -3.628 0.770 7.573 20 HE2 TYR 2 2HE TYR 2 -0.350 -0.168 5.026 21 HH TYR 2 HH TYR 2 -2.361 2.325 6.394 22 H TYR 3 H TYR 3 -3.677 -3.096 3.253 23 HA TYR 3 HA TYR 3 -3.431 -5.821 2.132 24 1HB TYR 3 2HB TYR 3 -4.353 -3.218 1.004 25 2HB TYR 3 1HB TYR 3 -3.545 -4.343 -0.086 26 HD1 TYR 3 1HD TYR 3 -6.625 -3.482 1.501 27 HD2 TYR 3 2HD TYR 3 -4.470 -6.728 -0.201 28 HE1 TYR 3 1HE TYR 3 -8.726 -4.729 1.236 29 HE2 TYR 3 2HE TYR 3 -6.564 -7.987 -0.465 30 HH TYR 3 HH TYR 3 -9.653 -6.529 -0.006 31 H GLY 4 H GLY 4 -1.314 -4.563 3.645 32 1HA GLY 4 2HA GLY 4 0.921 -4.025 3.501 33 2HA GLY 4 1HA GLY 4 0.921 -5.165 2.165 34 H ASN 5 H ASN 5 -1.091 -2.411 1.784 35 HA ASN 5 HA ASN 5 0.951 -0.840 0.419 36 1HB ASN 5 2HB ASN 5 -1.357 -2.221 -0.918 37 2HB ASN 5 1HB ASN 5 -0.851 -0.640 -1.506 38 1HD2 ASN 5 1HD2 ASN 5 -0.544 -3.790 -2.082 39 2HD2 ASN 5 2HD2 ASN 5 1.038 -3.839 -2.775 40 H GLY 6 H GLY 6 -0.177 -0.172 2.779 41 1HA GLY 6 2HA GLY 6 -1.586 1.295 3.883 42 2HA GLY 6 1HA GLY 6 -1.122 2.357 2.569 43 H VAL 7 H VAL 7 -3.247 -0.496 2.813 44 HA VAL 7 HA VAL 7 -5.530 1.142 2.003 45 HB VAL 7 HB VAL 7 -4.545 -1.230 0.426 46 1HG1 VAL 7 1HG1 VAL 7 -7.266 -0.026 0.662 47 2HG1 VAL 7 2HG1 VAL 7 -6.802 -1.730 0.648 48 3HG1 VAL 7 3HG1 VAL 7 -6.752 -0.790 -0.845 49 1HG2 VAL 7 1HG2 VAL 7 -4.203 1.474 0.058 50 2HG2 VAL 7 2HG2 VAL 7 -5.591 1.101 -0.964 51 3HG2 VAL 7 3HG2 VAL 7 -4.068 0.240 -1.192 52 H HIS 8 H HIS 8 -6.847 0.776 3.659 53 HA HIS 8 HA HIS 8 -7.250 -2.016 4.471 54 1HB HIS 8 2HB HIS 8 -8.331 -0.341 6.474 55 2HB HIS 8 1HB HIS 8 -6.916 -1.378 6.589 56 HD1 HIS 8 1HD HIS 8 -7.669 1.778 7.555 57 HD2 HIS 8 2HD HIS 8 -4.728 0.329 5.000 58 HE1 HIS 8 1HE HIS 8 -5.900 3.558 7.504 59 HE2 HIS 8 2HE HIS 8 -4.208 2.734 5.827 60 H CYS 9 H CYS 9 -9.254 -2.851 4.407 61 HA CYS 9 HA CYS 9 -11.384 -1.073 3.474 62 1HB CYS 9 2HB CYS 9 -10.462 -3.421 2.370 63 2HB CYS 9 1HB CYS 9 -11.902 -3.936 3.241 64 H THR 10 H THR 10 -11.609 -0.405 5.656 65 HA THR 10 HA THR 10 -12.758 -2.337 7.514 66 HB THR 10 HB THR 10 -12.309 -0.799 9.225 67 HG1 THR 10 1HG THR 10 -12.314 1.147 7.180 68 1HG2 THR 10 1HG2 THR 10 -10.213 -1.561 7.864 69 2HG2 THR 10 2HG2 THR 10 -10.072 -0.337 9.126 70 3HG2 THR 10 3HG2 THR 10 -10.133 0.148 7.431 71 H LYS 11 H LYS 11 -14.759 -2.362 8.209 72 HA LYS 11 HA LYS 11 -16.920 -1.759 8.600 73 1HB LYS 11 2HB LYS 11 -16.456 0.691 6.894 74 2HB LYS 11 1HB LYS 11 -17.838 0.374 7.927 75 1HG LYS 11 2HG LYS 11 -15.894 0.175 9.739 76 2HG LYS 11 1HG LYS 11 -15.126 1.284 8.604 77 1HD LYS 11 2HD LYS 11 -17.795 2.153 8.953 78 2HD LYS 11 1HD LYS 11 -17.136 1.825 10.557 79 1HE LYS 11 2HE LYS 11 -15.447 3.399 10.323 80 2HE LYS 11 1HE LYS 11 -15.552 3.393 8.563 81 1HZ LYS 11 1HZ LYS 11 -17.666 4.534 8.709 82 2HZ LYS 11 2HZ LYS 11 -16.477 5.416 9.525 83 3HZ LYS 11 3HZ LYS 11 -17.604 4.507 10.399 84 H SER 12 H SER 12 -16.804 -0.257 5.431 85 HA SER 12 HA SER 12 -17.696 -2.673 4.114 86 1HB SER 12 2HB SER 12 -19.611 -0.833 5.103 87 2HB SER 12 1HB SER 12 -19.592 -0.684 3.349 88 HG SER 12 HG SER 12 -19.700 -3.200 4.625 89 H GLY 13 H GLY 13 -15.530 -0.563 3.998 90 1HA GLY 13 2HA GLY 13 -15.464 -0.388 1.116 91 2HA GLY 13 1HA GLY 13 -15.622 1.167 1.921 92 H CYS 14 H CYS 14 -13.439 0.526 0.309 93 HA CYS 14 HA CYS 14 -11.267 -0.062 2.157 94 1HB CYS 14 2HB CYS 14 -11.304 0.236 -0.828 95 2HB CYS 14 1HB CYS 14 -9.841 0.019 0.121 96 H SER 15 H SER 15 -9.709 1.280 2.723 97 HA SER 15 HA SER 15 -9.864 4.052 1.761 98 1HB SER 15 2HB SER 15 -9.360 4.754 4.158 99 2HB SER 15 1HB SER 15 -10.997 4.170 3.852 100 HG SER 15 HG SER 15 -10.308 3.126 5.663 101 H VAL 16 H VAL 16 -7.876 5.305 2.431 102 HA VAL 16 HA VAL 16 -5.528 3.556 2.625 103 HB VAL 16 HB VAL 16 -5.804 5.832 0.660 104 1HG1 VAL 16 1HG1 VAL 16 -3.512 4.424 1.789 105 2HG1 VAL 16 2HG1 VAL 16 -3.582 5.938 0.901 106 3HG1 VAL 16 3HG1 VAL 16 -3.540 4.411 0.028 107 1HG2 VAL 16 1HG2 VAL 16 -5.176 3.795 -0.876 108 2HG2 VAL 16 2HG2 VAL 16 -6.857 4.140 -0.448 109 3HG2 VAL 16 3HG2 VAL 16 -5.962 2.884 0.417 110 H ASN 17 H ASN 17 -4.289 4.152 4.261 111 HA ASN 17 HA ASN 17 -4.623 6.547 5.725 112 1HB ASN 17 2HB ASN 17 -2.875 4.193 5.799 113 2HB ASN 17 1HB ASN 17 -2.075 5.664 6.344 114 1HD2 ASN 17 1HD2 ASN 17 -2.547 3.502 8.002 115 2HD2 ASN 17 2HD2 ASN 17 -3.695 3.956 9.212 116 H TRP 18 H TRP 18 -2.811 5.673 2.957 117 HA TRP 18 HA TRP 18 -1.543 6.789 1.482 118 1HB TRP 18 2HB TRP 18 -2.702 9.121 2.995 119 2HB TRP 18 1HB TRP 18 -1.585 9.345 1.643 120 HD1 TRP 18 HD TRP 18 -5.176 8.963 2.322 121 HE1 TRP 18 1HE TRP 18 -6.471 8.408 0.171 122 HE3 TRP 18 3HE TRP 18 -1.249 7.767 -0.668 123 HZ2 TRP 18 2HZ TRP 18 -5.889 7.565 -2.458 124 HZ3 TRP 18 3HZ TRP 18 -1.689 7.087 -2.995 125 HH2 TRP 18 HH TRP 18 -3.967 6.978 -3.861 126 H GLY 19 H GLY 19 -0.968 8.472 4.607 127 1HA GLY 19 2HA GLY 19 1.761 8.843 4.135 128 2HA GLY 19 1HA GLY 19 1.033 8.728 5.738 129 H GLU 20 H GLU 20 -0.037 6.046 5.177 130 HA GLU 20 HA GLU 20 2.246 4.498 5.983 131 1HB GLU 20 2HB GLU 20 -0.638 4.182 5.961 132 2HB GLU 20 1HB GLU 20 0.149 2.734 5.329 133 1HG GLU 20 2HG GLU 20 1.122 3.957 7.870 134 2HG GLU 20 1HG GLU 20 -0.331 2.959 7.871 135 H ALA 21 H ALA 21 0.152 4.713 3.145 136 HA ALA 21 HA ALA 21 1.472 2.693 1.625 137 1HB ALA 21 1HB ALA 21 0.147 3.469 -0.191 138 2HB ALA 21 2HB ALA 21 -0.087 5.039 0.578 139 3HB ALA 21 3HB ALA 21 -0.855 3.605 1.253 140 H PHE 22 H PHE 22 1.684 6.187 1.892 141 HA PHE 22 HA PHE 22 3.493 6.717 -0.182 142 1HB PHE 22 2HB PHE 22 2.275 8.494 0.946 143 2HB PHE 22 1HB PHE 22 3.032 8.086 2.482 144 HD1 PHE 22 1HD PHE 22 4.192 8.839 -0.977 145 HD2 PHE 22 2HD PHE 22 4.586 9.557 3.185 146 HE1 PHE 22 1HE PHE 22 5.973 10.468 -1.440 147 HE2 PHE 22 2HE PHE 22 6.376 11.199 2.739 148 HZ PHE 22 HZ PHE 22 7.069 11.649 0.418 149 H SER 23 H SER 23 3.882 5.802 3.165 150 HA SER 23 HA SER 23 6.737 5.958 3.198 151 1HB SER 23 2HB SER 23 4.826 4.449 5.015 152 2HB SER 23 1HB SER 23 6.548 4.671 5.324 153 HG SER 23 HG SER 23 5.906 6.430 6.277 154 H ALA 24 H ALA 24 4.396 3.578 2.243 155 HA ALA 24 HA ALA 24 6.206 1.348 2.183 156 1HB ALA 24 1HB ALA 24 4.087 0.538 2.327 157 2HB ALA 24 2HB ALA 24 4.221 0.563 0.567 158 3HB ALA 24 3HB ALA 24 3.402 1.880 1.408 159 H GLY 25 H GLY 25 4.654 3.360 -0.293 160 1HA GLY 25 2HA GLY 25 5.965 2.279 -2.514 161 2HA GLY 25 1HA GLY 25 5.266 3.887 -2.441 162 H VAL 26 H VAL 26 6.881 5.019 -0.433 163 HA VAL 26 HA VAL 26 9.126 5.809 -1.961 164 HB VAL 26 HB VAL 26 8.558 6.184 0.988 165 1HG1 VAL 26 1HG1 VAL 26 10.217 8.132 0.629 166 2HG1 VAL 26 2HG1 VAL 26 10.770 7.200 -0.763 167 3HG1 VAL 26 3HG1 VAL 26 10.863 6.506 0.855 168 1HG2 VAL 26 1HG2 VAL 26 8.221 8.009 -1.385 169 2HG2 VAL 26 2HG2 VAL 26 7.940 8.444 0.301 170 3HG2 VAL 26 3HG2 VAL 26 6.933 7.219 -0.474 171 H HIS 27 H HIS 27 8.835 3.543 0.775 172 HA HIS 27 HA HIS 27 11.600 3.121 1.086 173 1HB HIS 27 2HB HIS 27 9.268 1.262 1.622 174 2HB HIS 27 1HB HIS 27 10.924 0.936 2.119 175 HD1 HIS 27 1HD HIS 27 9.976 4.449 2.410 176 HD2 HIS 27 2HD HIS 27 9.819 1.054 4.796 177 HE1 HIS 27 1HE HIS 27 9.543 5.281 4.721 178 HE2 HIS 27 2HE HIS 27 9.378 3.213 6.153 179 H ARG 28 H ARG 28 9.177 1.584 -0.949 180 HA ARG 28 HA ARG 28 10.959 -0.305 -2.120 181 1HB ARG 28 2HB ARG 28 8.657 -0.872 -2.107 182 2HB ARG 28 1HB ARG 28 8.192 0.668 -2.811 183 1HG ARG 28 2HG ARG 28 8.335 -0.153 -4.859 184 2HG ARG 28 1HG ARG 28 9.975 -0.738 -4.572 185 1HD ARG 28 2HD ARG 28 7.421 -2.165 -3.837 186 2HD ARG 28 1HD ARG 28 8.486 -2.571 -5.180 187 HE ARG 28 HE ARG 28 10.087 -3.370 -3.644 188 1HH1 ARG 28 1HH1 ARG 28 7.143 -2.324 -2.070 189 2HH1 ARG 28 2HH1 ARG 28 7.485 -3.173 -0.603 190 1HH2 ARG 28 1HH2 ARG 28 10.531 -4.479 -1.713 191 2HH2 ARG 28 2HH2 ARG 28 9.407 -4.393 -0.397 192 H LEU 29 H LEU 29 9.647 2.830 -3.185 193 HA LEU 29 HA LEU 29 10.944 2.750 -5.701 194 1HB LEU 29 2HB LEU 29 9.874 4.680 -6.181 195 2HB LEU 29 1HB LEU 29 8.886 4.145 -4.840 196 HG LEU 29 HG LEU 29 10.522 5.655 -3.429 197 1HD1 LEU 29 1HD1 LEU 29 12.045 6.197 -5.241 198 2HD1 LEU 29 2HD1 LEU 29 11.207 7.649 -4.700 199 3HD1 LEU 29 3HD1 LEU 29 10.712 6.849 -6.192 200 1HD2 LEU 29 1HD2 LEU 29 8.971 7.532 -3.755 201 2HD2 LEU 29 2HD2 LEU 29 8.125 5.991 -3.612 202 3HD2 LEU 29 3HD2 LEU 29 8.332 6.738 -5.195 203 H ALA 30 H ALA 30 11.674 4.379 -2.673 204 HA ALA 30 HA ALA 30 14.114 5.510 -3.671 205 1HB ALA 30 1HB ALA 30 13.869 5.475 -0.783 206 2HB ALA 30 2HB ALA 30 12.404 6.062 -1.569 207 3HB ALA 30 3HB ALA 30 13.953 6.840 -1.897 208 H ASN 31 H ASN 31 13.767 3.589 -0.701 209 HA ASN 31 HA ASN 31 15.239 2.155 0.296 210 1HB ASN 31 2HB ASN 31 14.102 0.492 -0.914 211 2HB ASN 31 1HB ASN 31 14.789 0.997 -2.450 212 1HD2 ASN 31 1HD2 ASN 31 15.279 -1.253 -2.733 213 2HD2 ASN 31 2HD2 ASN 31 16.690 -1.928 -2.001 214 H GLY 32 H GLY 32 16.820 3.978 0.347 215 1HA GLY 32 2HA GLY 32 19.377 3.344 0.160 216 2HA GLY 32 1HA GLY 32 19.047 3.706 -1.528 217 H GLY 33 H GLY 33 18.261 5.881 -2.042 218 1HA GLY 33 2HA GLY 33 18.415 8.172 -1.913 219 2HA GLY 33 1HA GLY 33 18.288 7.992 -0.168 220 H ASN 34 H ASN 34 20.733 7.040 -2.571 221 HA ASN 34 HA ASN 34 22.677 8.838 -1.375 222 1HB ASN 34 2HB ASN 34 22.842 5.844 -1.192 223 2HB ASN 34 1HB ASN 34 24.314 6.806 -1.282 224 1HD2 ASN 34 1HD2 ASN 34 23.989 8.887 0.237 225 2HD2 ASN 34 2HD2 ASN 34 23.586 8.469 1.864 226 H GLY 35 H GLY 35 22.793 9.871 -3.355 227 1HA GLY 35 2HA GLY 35 24.107 10.191 -5.288 228 2HA GLY 35 1HA GLY 35 24.359 8.452 -5.379 229 H PHE 36 H PHE 36 22.885 10.978 -6.867 230 HA PHE 36 HA PHE 36 21.309 9.256 -8.539 231 1HB PHE 36 2HB PHE 36 20.029 10.811 -6.392 232 2HB PHE 36 1HB PHE 36 19.321 11.072 -7.982 233 HD1 PHE 36 1HD PHE 36 19.580 8.859 -5.174 234 HD2 PHE 36 2HD PHE 36 18.505 9.081 -9.285 235 HE1 PHE 36 1HE PHE 36 18.323 6.758 -4.954 236 HE2 PHE 36 2HE PHE 36 17.243 6.981 -9.070 237 HZ PHE 36 HZ PHE 36 17.152 5.817 -6.903 238 H TRP 37 H TRP 37 23.521 11.077 -8.828 239 HA TRP 37 HA TRP 37 24.291 12.605 -10.326 240 1HB TRP 37 2HB TRP 37 21.729 11.734 -11.487 241 2HB TRP 37 1HB TRP 37 22.288 13.308 -12.044 242 HD1 TRP 37 HD TRP 37 24.189 9.967 -11.435 243 HE1 TRP 37 1HE TRP 37 25.579 9.462 -13.542 244 HE3 TRP 37 3HE TRP 37 22.799 13.965 -14.304 245 HZ2 TRP 37 2HZ TRP 37 26.028 10.607 -16.082 246 HZ3 TRP 37 3HZ TRP 37 23.756 14.186 -16.560 247 HH2 TRP 37 HH TRP 37 25.337 12.541 -17.429 Start of MODEL 15 1 HA LYS 1 HA LYS 1 -7.102 -6.170 6.507 2 1HB LYS 1 2HB LYS 1 -7.416 -7.426 4.492 3 2HB LYS 1 1HB LYS 1 -9.006 -7.164 5.197 4 1HG LYS 1 2HG LYS 1 -9.443 -5.391 3.596 5 2HG LYS 1 1HG LYS 1 -7.823 -5.577 2.922 6 1HD LYS 1 2HD LYS 1 -9.450 -6.720 1.527 7 2HD LYS 1 1HD LYS 1 -8.371 -7.889 2.292 8 1HE LYS 1 2HE LYS 1 -10.802 -8.517 2.295 9 2HE LYS 1 1HE LYS 1 -10.026 -8.508 3.877 10 1HZ LYS 1 1HZ LYS 1 -12.241 -7.457 3.858 11 2HZ LYS 1 2HZ LYS 1 -11.659 -6.274 2.800 12 3HZ LYS 1 3HZ LYS 1 -11.021 -6.398 4.361 13 H TYR 2 H TYR 2 -5.058 -5.495 6.148 14 HA TYR 2 HA TYR 2 -4.604 -3.197 4.478 15 1HB TYR 2 2HB TYR 2 -3.382 -4.196 6.712 16 2HB TYR 2 1HB TYR 2 -2.219 -4.547 5.434 17 HD1 TYR 2 1HD TYR 2 -4.088 -1.975 7.152 18 HD2 TYR 2 2HD TYR 2 -1.090 -2.748 4.286 19 HE1 TYR 2 1HE TYR 2 -3.410 0.382 7.247 20 HE2 TYR 2 2HE TYR 2 -0.407 -0.417 4.332 21 HH TYR 2 HH TYR 2 -0.522 1.449 6.013 22 H TYR 3 H TYR 3 -3.727 -3.178 2.482 23 HA TYR 3 HA TYR 3 -3.089 -5.786 1.274 24 1HB TYR 3 2HB TYR 3 -4.257 -3.257 0.198 25 2HB TYR 3 1HB TYR 3 -3.346 -4.299 -0.891 26 HD1 TYR 3 1HD TYR 3 -6.487 -3.775 0.771 27 HD2 TYR 3 2HD TYR 3 -4.072 -6.723 -1.119 28 HE1 TYR 3 1HE TYR 3 -8.466 -5.194 0.478 29 HE2 TYR 3 2HE TYR 3 -6.051 -8.155 -1.415 30 HH TYR 3 HH TYR 3 -8.766 -7.530 -1.565 31 H GLY 4 H GLY 4 -1.146 -4.520 2.876 32 1HA GLY 4 2HA GLY 4 1.011 -3.702 2.856 33 2HA GLY 4 1HA GLY 4 1.166 -4.777 1.473 34 H ASN 5 H ASN 5 -0.999 -2.092 1.286 35 HA ASN 5 HA ASN 5 0.953 -0.377 -0.030 36 1HB ASN 5 2HB ASN 5 -1.199 -1.865 -1.409 37 2HB ASN 5 1HB ASN 5 -1.097 -0.151 -1.807 38 1HD2 ASN 5 1HD2 ASN 5 -0.538 -2.464 -3.475 39 2HD2 ASN 5 2HD2 ASN 5 1.102 -2.300 -3.993 40 H GLY 6 H GLY 6 -0.293 -0.107 2.440 41 1HA GLY 6 2HA GLY 6 -1.473 1.402 3.697 42 2HA GLY 6 1HA GLY 6 -1.322 2.483 2.327 43 H VAL 7 H VAL 7 -2.880 -0.437 1.559 44 HA VAL 7 HA VAL 7 -5.475 0.962 1.546 45 HB VAL 7 HB VAL 7 -4.472 -1.335 -0.123 46 1HG1 VAL 7 1HG1 VAL 7 -6.829 -1.164 -1.133 47 2HG1 VAL 7 2HG1 VAL 7 -7.258 -0.356 0.380 48 3HG1 VAL 7 3HG1 VAL 7 -6.655 -2.011 0.406 49 1HG2 VAL 7 1HG2 VAL 7 -4.389 0.143 -1.820 50 2HG2 VAL 7 2HG2 VAL 7 -4.357 1.357 -0.542 51 3HG2 VAL 7 3HG2 VAL 7 -5.884 0.935 -1.323 52 H HIS 8 H HIS 8 -6.898 0.438 3.026 53 HA HIS 8 HA HIS 8 -7.000 -2.338 3.935 54 1HB HIS 8 2HB HIS 8 -7.852 -0.868 6.142 55 2HB HIS 8 1HB HIS 8 -6.338 -1.750 5.991 56 HD1 HIS 8 1HD HIS 8 -7.359 1.322 7.134 57 HD2 HIS 8 2HD HIS 8 -4.485 0.166 4.370 58 HE1 HIS 8 1HE HIS 8 -5.756 3.241 7.006 59 HE2 HIS 8 2HE HIS 8 -3.935 2.457 5.446 60 H CYS 9 H CYS 9 -8.986 -3.168 4.209 61 HA CYS 9 HA CYS 9 -11.197 -1.375 3.542 62 1HB CYS 9 2HB CYS 9 -11.202 -4.380 3.304 63 2HB CYS 9 1HB CYS 9 -12.389 -3.246 2.668 64 H THR 10 H THR 10 -11.996 -0.678 5.407 65 HA THR 10 HA THR 10 -12.206 -2.519 7.658 66 HB THR 10 HB THR 10 -12.674 -0.539 8.999 67 HG1 THR 10 1HG THR 10 -12.842 0.702 6.479 68 1HG2 THR 10 1HG2 THR 10 -10.264 -1.064 8.092 69 2HG2 THR 10 2HG2 THR 10 -10.600 0.400 9.014 70 3HG2 THR 10 3HG2 THR 10 -10.494 0.472 7.256 71 H LYS 11 H LYS 11 -14.309 -1.498 9.036 72 HA LYS 11 HA LYS 11 -16.466 -2.879 7.940 73 1HB LYS 11 2HB LYS 11 -17.702 -2.141 9.818 74 2HB LYS 11 1HB LYS 11 -16.038 -2.325 10.356 75 1HG LYS 11 2HG LYS 11 -16.276 -0.294 11.236 76 2HG LYS 11 1HG LYS 11 -16.113 0.298 9.581 77 1HD LYS 11 2HD LYS 11 -18.473 0.407 9.301 78 2HD LYS 11 1HD LYS 11 -18.754 -0.473 10.803 79 1HE LYS 11 2HE LYS 11 -17.787 1.399 12.064 80 2HE LYS 11 1HE LYS 11 -17.548 2.280 10.555 81 1HZ LYS 11 1HZ LYS 11 -19.929 2.277 10.203 82 2HZ LYS 11 2HZ LYS 11 -19.565 2.976 11.700 83 3HZ LYS 11 3HZ LYS 11 -20.172 1.398 11.629 84 H SER 12 H SER 12 -15.337 0.273 7.247 85 HA SER 12 HA SER 12 -17.922 1.181 6.256 86 1HB SER 12 2HB SER 12 -15.531 2.459 7.163 87 2HB SER 12 1HB SER 12 -15.873 2.991 5.520 88 HG SER 12 HG SER 12 -17.807 2.972 7.591 89 H GLY 13 H GLY 13 -14.891 -0.099 5.130 90 1HA GLY 13 2HA GLY 13 -15.452 -1.254 2.853 91 2HA GLY 13 1HA GLY 13 -15.594 0.420 2.331 92 H CYS 14 H CYS 14 -13.849 -0.161 0.826 93 HA CYS 14 HA CYS 14 -11.235 -0.523 2.049 94 1HB CYS 14 2HB CYS 14 -12.001 -0.393 -0.860 95 2HB CYS 14 1HB CYS 14 -10.392 -0.729 -0.233 96 H SER 15 H SER 15 -9.882 0.991 2.455 97 HA SER 15 HA SER 15 -10.039 3.522 0.985 98 1HB SER 15 2HB SER 15 -9.667 3.664 3.952 99 2HB SER 15 1HB SER 15 -10.302 4.881 2.844 100 HG SER 15 HG SER 15 -11.587 2.589 3.878 101 H VAL 16 H VAL 16 -8.151 4.982 1.685 102 HA VAL 16 HA VAL 16 -5.752 3.340 2.167 103 HB VAL 16 HB VAL 16 -5.930 5.628 0.206 104 1HG1 VAL 16 1HG1 VAL 16 -3.718 3.983 1.284 105 2HG1 VAL 16 2HG1 VAL 16 -3.726 5.649 0.721 106 3HG1 VAL 16 3HG1 VAL 16 -3.678 4.332 -0.446 107 1HG2 VAL 16 1HG2 VAL 16 -6.969 4.036 -1.006 108 2HG2 VAL 16 2HG2 VAL 16 -6.219 2.714 -0.102 109 3HG2 VAL 16 3HG2 VAL 16 -5.292 3.587 -1.335 110 H ASN 17 H ASN 17 -4.552 4.072 3.817 111 HA ASN 17 HA ASN 17 -5.202 6.504 5.148 112 1HB ASN 17 2HB ASN 17 -3.581 4.194 5.656 113 2HB ASN 17 1HB ASN 17 -2.636 5.645 5.984 114 1HD2 ASN 17 1HD2 ASN 17 -2.612 5.493 8.172 115 2HD2 ASN 17 2HD2 ASN 17 -4.018 5.625 9.167 116 H TRP 18 H TRP 18 -3.233 5.681 2.525 117 HA TRP 18 HA TRP 18 -1.870 6.821 1.143 118 1HB TRP 18 2HB TRP 18 -3.169 9.113 2.594 119 2HB TRP 18 1HB TRP 18 -1.996 9.365 1.296 120 HD1 TRP 18 HD TRP 18 -5.610 8.940 1.783 121 HE1 TRP 18 1HE TRP 18 -6.783 8.359 -0.427 122 HE3 TRP 18 3HE TRP 18 -1.525 7.727 -0.977 123 HZ2 TRP 18 2HZ TRP 18 -6.058 7.475 -3.006 124 HZ3 TRP 18 3HZ TRP 18 -1.836 7.010 -3.309 125 HH2 TRP 18 HH TRP 18 -4.062 6.868 -4.287 126 H GLY 19 H GLY 19 -1.513 8.598 4.255 127 1HA GLY 19 2HA GLY 19 1.235 8.985 3.911 128 2HA GLY 19 1HA GLY 19 0.427 8.928 5.480 129 H GLU 20 H GLU 20 -0.559 6.162 4.803 130 HA GLU 20 HA GLU 20 1.695 4.707 5.857 131 1HB GLU 20 2HB GLU 20 -1.180 4.219 5.494 132 2HB GLU 20 1HB GLU 20 -0.187 2.804 5.130 133 1HG GLU 20 2HG GLU 20 0.429 2.514 7.277 134 2HG GLU 20 1HG GLU 20 0.496 4.242 7.614 135 H ALA 21 H ALA 21 -0.161 4.850 2.865 136 HA ALA 21 HA ALA 21 1.307 2.864 1.459 137 1HB ALA 21 1HB ALA 21 -0.984 3.722 0.903 138 2HB ALA 21 2HB ALA 21 0.129 3.650 -0.463 139 3HB ALA 21 3HB ALA 21 -0.212 5.195 0.321 140 H PHE 22 H PHE 22 1.547 6.342 1.847 141 HA PHE 22 HA PHE 22 3.484 6.894 -0.114 142 1HB PHE 22 2HB PHE 22 2.174 8.619 1.144 143 2HB PHE 22 1HB PHE 22 3.113 8.236 2.584 144 HD1 PHE 22 1HD PHE 22 5.645 8.554 2.457 145 HD2 PHE 22 2HD PHE 22 2.936 10.201 -0.381 146 HE1 PHE 22 1HE PHE 22 7.361 10.180 1.769 147 HE2 PHE 22 2HE PHE 22 4.645 11.830 -1.074 148 HZ PHE 22 HZ PHE 22 6.861 11.819 0.000 149 H SER 23 H SER 23 3.620 5.808 3.196 150 HA SER 23 HA SER 23 6.475 5.869 3.447 151 1HB SER 23 2HB SER 23 4.186 4.893 5.073 152 2HB SER 23 1HB SER 23 5.731 4.091 5.346 153 HG SER 23 HG SER 23 6.395 5.800 6.358 154 H ALA 24 H ALA 24 4.116 3.590 2.283 155 HA ALA 24 HA ALA 24 5.863 1.317 2.294 156 1HB ALA 24 1HB ALA 24 3.486 1.522 0.499 157 2HB ALA 24 2HB ALA 24 3.257 1.422 2.245 158 3HB ALA 24 3HB ALA 24 4.101 0.130 1.390 159 H GLY 25 H GLY 25 4.659 3.532 -0.204 160 1HA GLY 25 2HA GLY 25 6.079 2.383 -2.353 161 2HA GLY 25 1HA GLY 25 5.441 4.023 -2.306 162 H VAL 26 H VAL 26 6.932 5.012 -0.117 163 HA VAL 26 HA VAL 26 9.318 5.768 -1.439 164 HB VAL 26 HB VAL 26 8.593 6.025 1.500 165 1HG1 VAL 26 1HG1 VAL 26 10.360 8.064 0.521 166 2HG1 VAL 26 2HG1 VAL 26 11.058 6.474 0.229 167 3HG1 VAL 26 3HG1 VAL 26 10.584 6.941 1.862 168 1HG2 VAL 26 1HG2 VAL 26 7.505 7.957 1.037 169 2HG2 VAL 26 2HG2 VAL 26 7.242 7.151 -0.508 170 3HG2 VAL 26 3HG2 VAL 26 8.533 8.340 -0.343 171 H HIS 27 H HIS 27 8.675 3.385 1.103 172 HA HIS 27 HA HIS 27 11.363 2.793 1.681 173 1HB HIS 27 2HB HIS 27 8.882 1.065 1.870 174 2HB HIS 27 1HB HIS 27 10.453 0.605 2.517 175 HD1 HIS 27 1HD HIS 27 9.793 4.148 2.929 176 HD2 HIS 27 2HD HIS 27 8.986 0.665 5.040 177 HE1 HIS 27 1HE HIS 27 9.173 4.890 5.233 178 HE2 HIS 27 2HE HIS 27 8.799 2.769 6.534 179 H ARG 28 H ARG 28 9.150 1.690 -0.797 180 HA ARG 28 HA ARG 28 10.887 -0.343 -1.818 181 1HB ARG 28 2HB ARG 28 8.444 1.003 -2.984 182 2HB ARG 28 1HB ARG 28 9.291 -0.329 -3.757 183 1HG ARG 28 2HG ARG 28 8.871 -1.659 -1.655 184 2HG ARG 28 1HG ARG 28 7.787 -0.358 -1.160 185 1HD ARG 28 2HD ARG 28 6.160 -1.209 -2.408 186 2HD ARG 28 1HD ARG 28 7.173 -1.087 -3.847 187 HE ARG 28 HE ARG 28 7.960 -3.357 -2.429 188 1HH1 ARG 28 1HH1 ARG 28 5.173 -2.194 -4.179 189 2HH1 ARG 28 2HH1 ARG 28 4.656 -3.777 -4.655 190 1HH2 ARG 28 1HH2 ARG 28 7.281 -5.438 -3.054 191 2HH2 ARG 28 2HH2 ARG 28 5.853 -5.618 -4.016 192 H LEU 29 H LEU 29 10.019 2.951 -2.859 193 HA LEU 29 HA LEU 29 11.731 2.952 -5.121 194 1HB LEU 29 2HB LEU 29 10.747 5.400 -3.712 195 2HB LEU 29 1HB LEU 29 11.145 5.213 -5.409 196 HG LEU 29 HG LEU 29 8.731 4.187 -3.955 197 1HD1 LEU 29 1HD1 LEU 29 7.534 5.699 -5.155 198 2HD1 LEU 29 2HD1 LEU 29 8.662 5.677 -6.511 199 3HD1 LEU 29 3HD1 LEU 29 9.068 6.562 -5.041 200 1HD2 LEU 29 1HD2 LEU 29 8.235 3.395 -6.432 201 2HD2 LEU 29 2HD2 LEU 29 9.035 2.358 -5.250 202 3HD2 LEU 29 3HD2 LEU 29 9.990 3.228 -6.448 203 H ALA 30 H ALA 30 11.906 4.570 -2.024 204 HA ALA 30 HA ALA 30 14.433 5.743 -2.417 205 1HB ALA 30 1HB ALA 30 14.277 6.460 -0.181 206 2HB ALA 30 2HB ALA 30 13.195 5.133 0.244 207 3HB ALA 30 3HB ALA 30 12.630 6.429 -0.809 208 H ASN 31 H ASN 31 13.703 2.480 -1.728 209 HA ASN 31 HA ASN 31 16.147 2.021 -0.233 210 1HB ASN 31 2HB ASN 31 14.150 0.693 0.297 211 2HB ASN 31 1HB ASN 31 14.162 0.016 -1.331 212 1HD2 ASN 31 1HD2 ASN 31 14.166 -1.778 0.543 213 2HD2 ASN 31 2HD2 ASN 31 15.724 -2.482 0.794 214 H GLY 32 H GLY 32 14.913 1.428 -3.487 215 1HA GLY 32 2HA GLY 32 16.213 1.354 -5.436 216 2HA GLY 32 1HA GLY 32 17.656 1.202 -4.445 217 H GLY 33 H GLY 33 17.867 -0.930 -3.258 218 1HA GLY 33 2HA GLY 33 17.151 -3.279 -3.214 219 2HA GLY 33 1HA GLY 33 16.781 -3.118 -4.924 220 H ASN 34 H ASN 34 19.671 -1.724 -3.550 221 HA ASN 34 HA ASN 34 21.267 -3.478 -5.239 222 1HB ASN 34 2HB ASN 34 21.722 -0.853 -3.893 223 2HB ASN 34 1HB ASN 34 23.123 -1.858 -4.254 224 1HD2 ASN 34 1HD2 ASN 34 23.933 -0.448 -5.778 225 2HD2 ASN 34 2HD2 ASN 34 23.192 -0.217 -7.322 226 H GLY 35 H GLY 35 21.145 -5.417 -4.063 227 1HA GLY 35 2HA GLY 35 22.712 -6.741 -2.751 228 2HA GLY 35 1HA GLY 35 22.796 -5.406 -1.613 229 H PHE 36 H PHE 36 22.379 -7.476 -0.265 230 HA PHE 36 HA PHE 36 20.998 -8.755 1.023 231 1HB PHE 36 2HB PHE 36 19.521 -6.139 0.821 232 2HB PHE 36 1HB PHE 36 18.927 -7.460 1.819 233 HD1 PHE 36 1HD PHE 36 21.001 -4.609 1.714 234 HD2 PHE 36 2HD PHE 36 20.611 -8.435 3.538 235 HE1 PHE 36 1HE PHE 36 22.480 -3.884 3.541 236 HE2 PHE 36 2HE PHE 36 22.089 -7.716 5.369 237 HZ PHE 36 HZ PHE 36 23.026 -5.439 5.372 238 H TRP 37 H TRP 37 20.779 -9.809 -1.337 239 HA TRP 37 HA TRP 37 18.138 -9.718 -2.452 240 1HB TRP 37 2HB TRP 37 20.673 -11.124 -3.030 241 2HB TRP 37 1HB TRP 37 19.208 -11.978 -3.504 242 HD1 TRP 37 HD TRP 37 17.523 -10.546 -5.204 243 HE1 TRP 37 1HE TRP 37 18.156 -8.928 -7.102 244 HE3 TRP 37 3HE TRP 37 22.329 -9.491 -3.809 245 HZ2 TRP 37 2HZ TRP 37 20.394 -7.408 -7.905 246 HZ3 TRP 37 3HZ TRP 37 23.647 -7.947 -5.198 247 HH2 TRP 37 HH TRP 37 22.699 -6.927 -7.204 Start of MODEL 16 1 HA LYS 1 HA LYS 1 -6.919 -5.954 7.283 2 1HB LYS 1 2HB LYS 1 -7.587 -6.752 4.973 3 2HB LYS 1 1HB LYS 1 -8.779 -7.028 6.239 4 1HG LYS 1 2HG LYS 1 -9.709 -4.716 5.406 5 2HG LYS 1 1HG LYS 1 -8.843 -5.155 3.932 6 1HD LYS 1 2HD LYS 1 -10.737 -7.063 5.270 7 2HD LYS 1 1HD LYS 1 -11.308 -5.843 4.132 8 1HE LYS 1 2HE LYS 1 -10.675 -7.078 2.400 9 2HE LYS 1 1HE LYS 1 -9.041 -7.234 3.043 10 1HZ LYS 1 1HZ LYS 1 -9.646 -9.395 3.108 11 2HZ LYS 1 2HZ LYS 1 -11.299 -9.064 3.239 12 3HZ LYS 1 3HZ LYS 1 -10.304 -8.949 4.602 13 H TYR 2 H TYR 2 -4.987 -5.002 6.939 14 HA TYR 2 HA TYR 2 -4.726 -2.798 5.112 15 1HB TYR 2 2HB TYR 2 -3.256 -3.679 7.289 16 2HB TYR 2 1HB TYR 2 -2.210 -4.011 5.909 17 HD1 TYR 2 1HD TYR 2 -0.994 -2.253 4.912 18 HD2 TYR 2 2HD TYR 2 -4.262 -1.400 7.454 19 HE1 TYR 2 1HE TYR 2 -0.440 0.124 4.797 20 HE2 TYR 2 2HE TYR 2 -3.700 0.992 7.386 21 HH TYR 2 HH TYR 2 -2.502 2.571 6.164 22 H TYR 3 H TYR 3 -3.867 -2.836 3.090 23 HA TYR 3 HA TYR 3 -3.437 -5.508 1.928 24 1HB TYR 3 2HB TYR 3 -4.423 -2.897 0.869 25 2HB TYR 3 1HB TYR 3 -3.599 -3.984 -0.252 26 HD1 TYR 3 1HD TYR 3 -4.463 -6.451 -0.239 27 HD2 TYR 3 2HD TYR 3 -6.713 -3.147 1.186 28 HE1 TYR 3 1HE TYR 3 -6.534 -7.744 -0.525 29 HE2 TYR 3 2HE TYR 3 -8.793 -4.421 0.897 30 HH TYR 3 HH TYR 3 -9.093 -7.044 -0.928 31 H GLY 4 H GLY 4 -1.413 -4.225 3.515 32 1HA GLY 4 2HA GLY 4 0.787 -3.534 3.467 33 2HA GLY 4 1HA GLY 4 0.909 -4.764 2.214 34 H ASN 5 H ASN 5 -1.083 -1.969 1.709 35 HA ASN 5 HA ASN 5 0.991 -0.551 0.234 36 1HB ASN 5 2HB ASN 5 -0.595 -2.316 -1.138 37 2HB ASN 5 1HB ASN 5 -1.520 -0.824 -1.291 38 1HD2 ASN 5 1HD2 ASN 5 -0.881 0.661 -2.711 39 2HD2 ASN 5 2HD2 ASN 5 0.573 0.585 -3.641 40 H GLY 6 H GLY 6 -0.545 -0.055 2.656 41 1HA GLY 6 2HA GLY 6 -1.699 1.665 3.651 42 2HA GLY 6 1HA GLY 6 -1.251 2.624 2.250 43 H VAL 7 H VAL 7 -3.312 -0.255 2.530 44 HA VAL 7 HA VAL 7 -5.663 1.342 1.843 45 HB VAL 7 HB VAL 7 -4.636 -0.904 0.113 46 1HG1 VAL 7 1HG1 VAL 7 -7.392 0.214 0.447 47 2HG1 VAL 7 2HG1 VAL 7 -6.888 -1.476 0.420 48 3HG1 VAL 7 3HG1 VAL 7 -6.881 -0.532 -1.070 49 1HG2 VAL 7 1HG2 VAL 7 -4.255 0.673 -1.428 50 2HG2 VAL 7 2HG2 VAL 7 -4.434 1.836 -0.117 51 3HG2 VAL 7 3HG2 VAL 7 -5.818 1.437 -1.132 52 H HIS 8 H HIS 8 -6.901 0.842 3.526 53 HA HIS 8 HA HIS 8 -7.173 -1.996 4.212 54 1HB HIS 8 2HB HIS 8 -8.392 -0.431 6.237 55 2HB HIS 8 1HB HIS 8 -6.945 -1.420 6.364 56 HD1 HIS 8 1HD HIS 8 -7.787 1.612 7.496 57 HD2 HIS 8 2HD HIS 8 -4.819 0.462 4.828 58 HE1 HIS 8 1HE HIS 8 -6.100 3.472 7.538 59 HE2 HIS 8 2HE HIS 8 -4.396 2.832 5.794 60 H CYS 9 H CYS 9 -9.205 -2.892 4.383 61 HA CYS 9 HA CYS 9 -11.378 -1.204 3.376 62 1HB CYS 9 2HB CYS 9 -10.355 -3.446 2.180 63 2HB CYS 9 1HB CYS 9 -11.758 -4.078 3.038 64 H THR 10 H THR 10 -11.698 -0.623 5.566 65 HA THR 10 HA THR 10 -12.708 -2.706 7.351 66 HB THR 10 HB THR 10 -12.351 -1.236 9.125 67 HG1 THR 10 1HG THR 10 -12.248 0.931 7.304 68 1HG2 THR 10 1HG2 THR 10 -10.173 -0.374 8.975 69 2HG2 THR 10 2HG2 THR 10 -10.300 -0.141 7.231 70 3HG2 THR 10 3HG2 THR 10 -10.199 -1.771 7.897 71 H LYS 11 H LYS 11 -14.556 -2.210 8.697 72 HA LYS 11 HA LYS 11 -16.838 -2.156 8.747 73 1HB LYS 11 2HB LYS 11 -17.633 0.053 9.002 74 2HB LYS 11 1HB LYS 11 -15.953 0.058 9.522 75 1HG LYS 11 2HG LYS 11 -15.243 1.175 7.597 76 2HG LYS 11 1HG LYS 11 -16.748 0.847 6.745 77 1HD LYS 11 2HD LYS 11 -17.949 2.353 8.198 78 2HD LYS 11 1HD LYS 11 -16.514 2.586 9.200 79 1HE LYS 11 2HE LYS 11 -17.009 3.527 6.391 80 2HE LYS 11 1HE LYS 11 -16.635 4.490 7.820 81 1HZ LYS 11 1HZ LYS 11 -14.687 4.368 6.499 82 2HZ LYS 11 2HZ LYS 11 -14.803 2.689 6.338 83 3HZ LYS 11 3HZ LYS 11 -14.425 3.370 7.839 84 H SER 12 H SER 12 -15.929 -3.019 6.186 85 HA SER 12 HA SER 12 -16.889 -3.630 4.212 86 1HB SER 12 2HB SER 12 -19.098 -2.665 5.723 87 2HB SER 12 1HB SER 12 -19.271 -2.083 4.071 88 HG SER 12 HG SER 12 -18.740 -4.782 4.757 89 H GLY 13 H GLY 13 -15.135 -1.365 4.487 90 1HA GLY 13 2HA GLY 13 -15.643 -0.171 1.895 91 2HA GLY 13 1HA GLY 13 -15.665 0.956 3.243 92 H CYS 14 H CYS 14 -13.831 0.512 0.874 93 HA CYS 14 HA CYS 14 -11.296 -0.055 2.193 94 1HB CYS 14 2HB CYS 14 -12.165 0.256 -0.628 95 2HB CYS 14 1HB CYS 14 -10.482 0.530 -0.213 96 H SER 15 H SER 15 -9.786 1.341 2.660 97 HA SER 15 HA SER 15 -10.088 4.135 1.826 98 1HB SER 15 2HB SER 15 -9.747 4.945 4.120 99 2HB SER 15 1HB SER 15 -11.213 3.971 4.008 100 HG SER 15 HG SER 15 -10.303 2.427 5.178 101 H VAL 16 H VAL 16 -8.121 5.431 2.477 102 HA VAL 16 HA VAL 16 -5.720 3.746 2.593 103 HB VAL 16 HB VAL 16 -6.125 6.038 0.670 104 1HG1 VAL 16 1HG1 VAL 16 -3.738 4.587 1.621 105 2HG1 VAL 16 2HG1 VAL 16 -3.904 6.237 1.038 106 3HG1 VAL 16 3HG1 VAL 16 -3.832 4.901 -0.110 107 1HG2 VAL 16 1HG2 VAL 16 -5.383 3.955 -0.839 108 2HG2 VAL 16 2HG2 VAL 16 -7.067 4.394 -0.533 109 3HG2 VAL 16 3HG2 VAL 16 -6.296 3.119 0.422 110 H ASN 17 H ASN 17 -4.304 4.403 4.068 111 HA ASN 17 HA ASN 17 -4.719 6.825 5.541 112 1HB ASN 17 2HB ASN 17 -3.149 4.429 5.836 113 2HB ASN 17 1HB ASN 17 -2.120 5.840 6.076 114 1HD2 ASN 17 1HD2 ASN 17 -1.915 5.240 8.264 115 2HD2 ASN 17 2HD2 ASN 17 -3.174 5.567 9.401 116 H TRP 18 H TRP 18 -2.963 5.868 2.771 117 HA TRP 18 HA TRP 18 -1.730 6.978 1.247 118 1HB TRP 18 2HB TRP 18 -2.756 9.352 2.810 119 2HB TRP 18 1HB TRP 18 -1.759 9.512 1.359 120 HD1 TRP 18 HD TRP 18 -5.301 9.113 2.388 121 HE1 TRP 18 1HE TRP 18 -6.769 8.570 0.348 122 HE3 TRP 18 3HE TRP 18 -1.629 8.070 -0.954 123 HZ2 TRP 18 2HZ TRP 18 -6.405 7.797 -2.342 124 HZ3 TRP 18 3HZ TRP 18 -2.255 7.433 -3.257 125 HH2 TRP 18 HH TRP 18 -4.601 7.289 -3.922 126 H GLY 19 H GLY 19 -1.059 8.781 4.271 127 1HA GLY 19 2HA GLY 19 1.655 9.072 3.734 128 2HA GLY 19 1HA GLY 19 0.966 9.025 5.362 129 H GLU 20 H GLU 20 -0.163 6.329 4.866 130 HA GLU 20 HA GLU 20 2.102 4.762 5.698 131 1HB GLU 20 2HB GLU 20 -0.819 4.395 5.495 132 2HB GLU 20 1HB GLU 20 0.120 2.938 5.180 133 1HG GLU 20 2HG GLU 20 0.784 4.552 7.584 134 2HG GLU 20 1HG GLU 20 -0.683 3.574 7.601 135 H ALA 21 H ALA 21 0.063 5.063 2.846 136 HA ALA 21 HA ALA 21 1.271 2.954 1.355 137 1HB ALA 21 1HB ALA 21 -0.017 3.754 -0.455 138 2HB ALA 21 2HB ALA 21 -0.107 5.375 0.238 139 3HB ALA 21 3HB ALA 21 -0.996 4.047 0.983 140 H PHE 22 H PHE 22 1.679 6.423 1.629 141 HA PHE 22 HA PHE 22 3.582 6.817 -0.401 142 1HB PHE 22 2HB PHE 22 2.297 8.604 0.828 143 2HB PHE 22 1HB PHE 22 3.329 8.320 2.225 144 HD1 PHE 22 1HD PHE 22 2.919 10.119 -0.808 145 HD2 PHE 22 2HD PHE 22 5.854 8.630 1.888 146 HE1 PHE 22 1HE PHE 22 4.552 11.726 -1.706 147 HE2 PHE 22 2HE PHE 22 7.492 10.234 0.996 148 HZ PHE 22 HZ PHE 22 6.842 11.784 -0.803 149 H SER 23 H SER 23 3.766 5.917 2.983 150 HA SER 23 HA SER 23 6.624 5.880 3.134 151 1HB SER 23 2HB SER 23 6.348 4.809 5.275 152 2HB SER 23 1HB SER 23 5.097 6.042 5.136 153 HG SER 23 HG SER 23 4.869 3.318 5.327 154 H ALA 24 H ALA 24 4.168 3.676 2.068 155 HA ALA 24 HA ALA 24 5.802 1.323 2.106 156 1HB ALA 24 1HB ALA 24 3.966 0.211 1.261 157 2HB ALA 24 2HB ALA 24 3.426 1.601 0.320 158 3HB ALA 24 3HB ALA 24 3.193 1.576 2.067 159 H GLY 25 H GLY 25 4.610 3.485 -0.456 160 1HA GLY 25 2HA GLY 25 6.007 2.270 -2.571 161 2HA GLY 25 1HA GLY 25 5.403 3.920 -2.561 162 H VAL 26 H VAL 26 6.909 4.967 -0.439 163 HA VAL 26 HA VAL 26 9.304 5.644 -1.776 164 HB VAL 26 HB VAL 26 8.665 5.978 1.171 165 1HG1 VAL 26 1HG1 VAL 26 10.294 7.867 0.999 166 2HG1 VAL 26 2HG1 VAL 26 10.735 7.266 -0.600 167 3HG1 VAL 26 3HG1 VAL 26 11.009 6.265 0.826 168 1HG2 VAL 26 1HG2 VAL 26 8.474 8.266 -0.674 169 2HG2 VAL 26 2HG2 VAL 26 7.479 7.832 0.716 170 3HG2 VAL 26 3HG2 VAL 26 7.221 7.035 -0.836 171 H HIS 27 H HIS 27 8.640 3.273 0.783 172 HA HIS 27 HA HIS 27 11.339 2.736 1.393 173 1HB HIS 27 2HB HIS 27 8.909 0.933 1.551 174 2HB HIS 27 1HB HIS 27 10.487 0.526 2.215 175 HD1 HIS 27 1HD HIS 27 9.940 4.020 2.685 176 HD2 HIS 27 2HD HIS 27 8.753 0.562 4.653 177 HE1 HIS 27 1HE HIS 27 9.198 4.765 4.950 178 HE2 HIS 27 2HE HIS 27 8.394 2.675 6.103 179 H ARG 28 H ARG 28 9.161 1.583 -1.098 180 HA ARG 28 HA ARG 28 10.892 -0.416 -2.143 181 1HB ARG 28 2HB ARG 28 8.379 0.918 -3.002 182 2HB ARG 28 1HB ARG 28 9.339 0.138 -4.252 183 1HG ARG 28 2HG ARG 28 8.691 -1.356 -1.755 184 2HG ARG 28 1HG ARG 28 7.465 -1.177 -3.013 185 1HD ARG 28 2HD ARG 28 9.990 -1.935 -4.166 186 2HD ARG 28 1HD ARG 28 9.533 -3.064 -2.892 187 HE ARG 28 HE ARG 28 8.243 -2.700 -5.443 188 1HH1 ARG 28 1HH1 ARG 28 7.876 -3.872 -2.174 189 2HH1 ARG 28 2HH1 ARG 28 6.588 -4.956 -2.577 190 1HH2 ARG 28 1HH2 ARG 28 6.548 -4.123 -5.971 191 2HH2 ARG 28 2HH2 ARG 28 5.833 -5.099 -4.731 192 H LEU 29 H LEU 29 10.162 2.927 -3.165 193 HA LEU 29 HA LEU 29 12.041 2.918 -5.293 194 1HB LEU 29 2HB LEU 29 11.174 5.455 -4.012 195 2HB LEU 29 1HB LEU 29 11.432 5.097 -5.708 196 HG LEU 29 HG LEU 29 9.073 4.312 -4.021 197 1HD1 LEU 29 1HD1 LEU 29 7.966 5.564 -6.011 198 2HD1 LEU 29 2HD1 LEU 29 9.569 6.274 -6.200 199 3HD1 LEU 29 3HD1 LEU 29 8.693 6.472 -4.684 200 1HD2 LEU 29 1HD2 LEU 29 9.412 2.430 -5.375 201 2HD2 LEU 29 2HD2 LEU 29 9.901 3.410 -6.758 202 3HD2 LEU 29 3HD2 LEU 29 8.216 3.397 -6.238 203 H ALA 30 H ALA 30 12.033 4.389 -2.119 204 HA ALA 30 HA ALA 30 14.620 5.503 -2.272 205 1HB ALA 30 1HB ALA 30 12.631 6.116 -0.768 206 2HB ALA 30 2HB ALA 30 14.263 6.249 -0.110 207 3HB ALA 30 3HB ALA 30 13.253 4.864 0.306 208 H ASN 31 H ASN 31 13.792 2.246 -1.932 209 HA ASN 31 HA ASN 31 15.919 1.585 -0.091 210 1HB ASN 31 2HB ASN 31 13.973 0.146 -0.091 211 2HB ASN 31 1HB ASN 31 14.172 -0.194 -1.810 212 1HD2 ASN 31 1HD2 ASN 31 14.519 -2.340 -1.746 213 2HD2 ASN 31 2HD2 ASN 31 15.833 -3.097 -0.919 214 H GLY 32 H GLY 32 15.563 1.989 -3.501 215 1HA GLY 32 2HA GLY 32 17.756 0.390 -4.336 216 2HA GLY 32 1HA GLY 32 17.022 1.697 -5.253 217 H GLY 33 H GLY 33 17.551 3.951 -4.285 218 1HA GLY 33 2HA GLY 33 19.734 4.556 -2.759 219 2HA GLY 33 1HA GLY 33 20.415 4.192 -4.338 220 H ASN 34 H ASN 34 19.777 5.494 -6.146 221 HA ASN 34 HA ASN 34 18.317 7.942 -5.619 222 1HB ASN 34 2HB ASN 34 20.175 9.389 -6.413 223 2HB ASN 34 1HB ASN 34 20.535 8.587 -4.887 224 1HD2 ASN 34 1HD2 ASN 34 22.232 7.225 -4.758 225 2HD2 ASN 34 2HD2 ASN 34 23.302 6.880 -6.069 226 H GLY 35 H GLY 35 20.285 6.074 -7.903 227 1HA GLY 35 2HA GLY 35 18.259 6.357 -9.932 228 2HA GLY 35 1HA GLY 35 19.729 7.252 -10.292 229 H PHE 36 H PHE 36 18.575 4.015 -9.405 230 HA PHE 36 HA PHE 36 20.155 2.801 -11.477 231 1HB PHE 36 2HB PHE 36 20.849 2.260 -8.576 232 2HB PHE 36 1HB PHE 36 21.414 1.292 -9.933 233 HD1 PHE 36 1HD PHE 36 22.009 4.154 -7.897 234 HD2 PHE 36 2HD PHE 36 22.825 2.450 -11.709 235 HE1 PHE 36 1HE PHE 36 23.930 5.667 -8.157 236 HE2 PHE 36 2HE PHE 36 24.749 3.961 -11.976 237 HZ PHE 36 HZ PHE 36 25.304 5.572 -10.198 238 H TRP 37 H TRP 37 17.771 2.448 -11.822 239 HA TRP 37 HA TRP 37 17.115 -0.236 -11.091 240 1HB TRP 37 2HB TRP 37 16.394 1.018 -9.053 241 2HB TRP 37 1HB TRP 37 15.283 1.943 -10.058 242 HD1 TRP 37 HD TRP 37 15.808 -1.879 -10.260 243 HE1 TRP 37 1HE TRP 37 13.563 -3.022 -9.733 244 HE3 TRP 37 3HE TRP 37 13.062 2.254 -9.024 245 HZ2 TRP 37 2HZ TRP 37 10.972 -2.272 -8.901 246 HZ3 TRP 37 3HZ TRP 37 10.708 1.954 -8.375 247 HH2 TRP 37 HH TRP 37 9.686 -0.262 -8.316 Start of MODEL 17 1 HA LYS 1 HA LYS 1 -6.834 -6.476 6.598 2 1HB LYS 1 2HB LYS 1 -7.616 -7.032 4.265 3 2HB LYS 1 1HB LYS 1 -8.806 -7.310 5.527 4 1HG LYS 1 2HG LYS 1 -9.959 -5.272 4.940 5 2HG LYS 1 1HG LYS 1 -8.715 -4.879 3.753 6 1HD LYS 1 2HD LYS 1 -10.546 -5.789 2.546 7 2HD LYS 1 1HD LYS 1 -9.288 -7.023 2.580 8 1HE LYS 1 2HE LYS 1 -11.033 -8.342 3.171 9 2HE LYS 1 1HE LYS 1 -10.639 -7.736 4.777 10 1HZ LYS 1 1HZ LYS 1 -12.309 -5.864 4.086 11 2HZ LYS 1 2HZ LYS 1 -12.873 -7.336 4.697 12 3HZ LYS 1 3HZ LYS 1 -12.893 -7.049 3.031 13 H TYR 2 H TYR 2 -4.883 -5.442 6.427 14 HA TYR 2 HA TYR 2 -4.557 -3.163 4.693 15 1HB TYR 2 2HB TYR 2 -3.160 -4.148 6.888 16 2HB TYR 2 1HB TYR 2 -2.061 -4.374 5.531 17 HD1 TYR 2 1HD TYR 2 -0.903 -2.511 4.611 18 HD2 TYR 2 2HD TYR 2 -4.153 -1.912 7.244 19 HE1 TYR 2 1HE TYR 2 -0.371 -0.131 4.697 20 HE2 TYR 2 2HE TYR 2 -3.609 0.485 7.380 21 HH TYR 2 HH TYR 2 -2.453 2.174 6.182 22 H TYR 3 H TYR 3 -3.590 -3.129 2.711 23 HA TYR 3 HA TYR 3 -3.054 -5.770 1.493 24 1HB TYR 3 2HB TYR 3 -4.080 -3.165 0.407 25 2HB TYR 3 1HB TYR 3 -3.302 -4.312 -0.676 26 HD1 TYR 3 1HD TYR 3 -4.194 -6.810 -0.338 27 HD2 TYR 3 2HD TYR 3 -6.366 -3.288 0.563 28 HE1 TYR 3 1HE TYR 3 -6.298 -8.071 -0.530 29 HE2 TYR 3 2HE TYR 3 -8.476 -4.523 0.364 30 HH TYR 3 HH TYR 3 -9.161 -6.789 -0.995 31 H GLY 4 H GLY 4 -1.127 -4.463 3.135 32 1HA GLY 4 2HA GLY 4 1.029 -3.642 3.146 33 2HA GLY 4 1HA GLY 4 1.235 -4.796 1.836 34 H ASN 5 H ASN 5 -0.923 -2.111 1.481 35 HA ASN 5 HA ASN 5 1.041 -0.485 0.070 36 1HB ASN 5 2HB ASN 5 -0.716 -2.245 -1.298 37 2HB ASN 5 1HB ASN 5 -1.342 -0.618 -1.546 38 1HD2 ASN 5 1HD2 ASN 5 -0.248 0.781 -2.824 39 2HD2 ASN 5 2HD2 ASN 5 1.176 0.368 -3.710 40 H GLY 6 H GLY 6 -0.365 -0.136 2.534 41 1HA GLY 6 2HA GLY 6 -1.653 1.409 3.644 42 2HA GLY 6 1HA GLY 6 -1.285 2.478 2.301 43 H VAL 7 H VAL 7 -3.183 -0.524 2.452 44 HA VAL 7 HA VAL 7 -5.600 0.999 1.812 45 HB VAL 7 HB VAL 7 -4.560 -1.262 0.108 46 1HG1 VAL 7 1HG1 VAL 7 -6.719 -1.081 -1.077 47 2HG1 VAL 7 2HG1 VAL 7 -7.274 0.023 0.187 48 3HG1 VAL 7 3HG1 VAL 7 -6.900 -1.652 0.581 49 1HG2 VAL 7 1HG2 VAL 7 -4.091 0.303 -1.412 50 2HG2 VAL 7 2HG2 VAL 7 -4.334 1.490 -0.130 51 3HG2 VAL 7 3HG2 VAL 7 -5.668 1.066 -1.197 52 H HIS 8 H HIS 8 -6.813 0.502 3.474 53 HA HIS 8 HA HIS 8 -7.106 -2.335 4.152 54 1HB HIS 8 2HB HIS 8 -8.091 -0.867 6.328 55 2HB HIS 8 1HB HIS 8 -6.603 -1.801 6.275 56 HD1 HIS 8 1HD HIS 8 -7.502 1.223 7.521 57 HD2 HIS 8 2HD HIS 8 -4.638 0.159 4.706 58 HE1 HIS 8 1HE HIS 8 -5.865 3.133 7.474 59 HE2 HIS 8 2HE HIS 8 -4.249 2.544 5.636 60 H CYS 9 H CYS 9 -9.184 -3.108 4.547 61 HA CYS 9 HA CYS 9 -11.285 -1.282 3.655 62 1HB CYS 9 2HB CYS 9 -11.395 -4.264 3.335 63 2HB CYS 9 1HB CYS 9 -12.423 -3.053 2.582 64 H THR 10 H THR 10 -11.731 -0.594 5.704 65 HA THR 10 HA THR 10 -12.654 -2.596 7.630 66 HB THR 10 HB THR 10 -12.471 -0.927 9.309 67 HG1 THR 10 1HG THR 10 -12.094 0.955 7.224 68 1HG2 THR 10 1HG2 THR 10 -10.238 -0.473 9.371 69 2HG2 THR 10 2HG2 THR 10 -10.157 -0.077 7.654 70 3HG2 THR 10 3HG2 THR 10 -10.274 -1.761 8.167 71 H LYS 11 H LYS 11 -14.625 -2.931 8.098 72 HA LYS 11 HA LYS 11 -16.896 -3.009 7.602 73 1HB LYS 11 2HB LYS 11 -16.734 -0.410 9.074 74 2HB LYS 11 1HB LYS 11 -17.935 -1.687 9.237 75 1HG LYS 11 2HG LYS 11 -15.936 -3.127 10.018 76 2HG LYS 11 1HG LYS 11 -15.133 -1.575 10.262 77 1HD LYS 11 2HD LYS 11 -17.471 -1.075 11.485 78 2HD LYS 11 1HD LYS 11 -17.363 -2.818 11.748 79 1HE LYS 11 2HE LYS 11 -14.901 -2.227 12.451 80 2HE LYS 11 1HE LYS 11 -15.593 -0.630 12.731 81 1HZ LYS 11 1HZ LYS 11 -17.382 -2.116 13.975 82 2HZ LYS 11 2HZ LYS 11 -15.991 -1.537 14.745 83 3HZ LYS 11 3HZ LYS 11 -16.036 -3.125 14.167 84 H SER 12 H SER 12 -15.916 0.408 7.136 85 HA SER 12 HA SER 12 -18.205 0.899 5.468 86 1HB SER 12 2HB SER 12 -17.399 3.169 5.338 87 2HB SER 12 1HB SER 12 -17.196 2.610 6.998 88 HG SER 12 HG SER 12 -15.361 3.704 5.666 89 H GLY 13 H GLY 13 -15.488 -0.767 4.784 90 1HA GLY 13 2HA GLY 13 -15.332 -1.511 2.450 91 2HA GLY 13 1HA GLY 13 -15.512 0.172 1.984 92 H CYS 14 H CYS 14 -13.578 -0.163 0.737 93 HA CYS 14 HA CYS 14 -11.099 -0.449 2.235 94 1HB CYS 14 2HB CYS 14 -11.501 -0.152 -0.729 95 2HB CYS 14 1HB CYS 14 -10.003 -0.566 0.098 96 H SER 15 H SER 15 -9.728 1.052 2.666 97 HA SER 15 HA SER 15 -10.048 3.705 1.464 98 1HB SER 15 2HB SER 15 -10.238 3.028 4.380 99 2HB SER 15 1HB SER 15 -9.561 4.581 3.893 100 HG SER 15 HG SER 15 -11.529 4.901 2.683 101 H VAL 16 H VAL 16 -8.124 5.146 2.221 102 HA VAL 16 HA VAL 16 -5.715 3.477 2.474 103 HB VAL 16 HB VAL 16 -6.072 5.745 0.512 104 1HG1 VAL 16 1HG1 VAL 16 -3.872 5.996 0.954 105 2HG1 VAL 16 2HG1 VAL 16 -3.729 4.644 -0.166 106 3HG1 VAL 16 3HG1 VAL 16 -3.692 4.360 1.573 107 1HG2 VAL 16 1HG2 VAL 16 -5.248 3.691 -0.967 108 2HG2 VAL 16 2HG2 VAL 16 -6.955 4.044 -0.677 109 3HG2 VAL 16 3HG2 VAL 16 -6.126 2.812 0.287 110 H ASN 17 H ASN 17 -4.320 4.162 3.966 111 HA ASN 17 HA ASN 17 -4.829 6.560 5.449 112 1HB ASN 17 2HB ASN 17 -2.989 4.276 5.637 113 2HB ASN 17 1HB ASN 17 -2.288 5.802 6.172 114 1HD2 ASN 17 1HD2 ASN 17 -2.242 4.649 8.238 115 2HD2 ASN 17 2HD2 ASN 17 -3.646 4.704 9.245 116 H TRP 18 H TRP 18 -2.993 5.685 2.703 117 HA TRP 18 HA TRP 18 -1.755 6.842 1.218 118 1HB TRP 18 2HB TRP 18 -2.921 9.162 2.754 119 2HB TRP 18 1HB TRP 18 -1.870 9.375 1.347 120 HD1 TRP 18 HD TRP 18 -5.432 8.883 2.204 121 HE1 TRP 18 1HE TRP 18 -6.792 8.285 0.105 122 HE3 TRP 18 3HE TRP 18 -1.584 7.876 -0.940 123 HZ2 TRP 18 2HZ TRP 18 -6.279 7.483 -2.556 124 HZ3 TRP 18 3HZ TRP 18 -2.083 7.193 -3.258 125 HH2 TRP 18 HH TRP 18 -4.389 6.988 -4.036 126 H GLY 19 H GLY 19 -1.261 8.454 4.375 127 1HA GLY 19 2HA GLY 19 1.469 8.910 3.892 128 2HA GLY 19 1HA GLY 19 0.719 8.835 5.492 129 H GLU 20 H GLU 20 -0.309 6.090 4.871 130 HA GLU 20 HA GLU 20 1.969 4.596 5.808 131 1HB GLU 20 2HB GLU 20 -0.915 4.147 5.503 132 2HB GLU 20 1HB GLU 20 0.049 2.726 5.103 133 1HG GLU 20 2HG GLU 20 0.659 4.188 7.620 134 2HG GLU 20 1HG GLU 20 -0.790 3.186 7.554 135 H ALA 21 H ALA 21 0.049 4.842 2.877 136 HA ALA 21 HA ALA 21 1.392 2.820 1.397 137 1HB ALA 21 1HB ALA 21 -0.796 3.499 0.731 138 2HB ALA 21 2HB ALA 21 0.319 3.990 -0.547 139 3HB ALA 21 3HB ALA 21 -0.287 5.182 0.604 140 H PHE 22 H PHE 22 1.737 6.282 1.804 141 HA PHE 22 HA PHE 22 3.662 6.784 -0.187 142 1HB PHE 22 2HB PHE 22 2.403 8.543 1.042 143 2HB PHE 22 1HB PHE 22 3.287 8.140 2.511 144 HD1 PHE 22 1HD PHE 22 5.831 8.429 2.460 145 HD2 PHE 22 2HD PHE 22 3.228 10.108 -0.457 146 HE1 PHE 22 1HE PHE 22 7.585 10.034 1.822 147 HE2 PHE 22 2HE PHE 22 4.979 11.712 -1.103 148 HZ PHE 22 HZ PHE 22 7.160 11.677 0.038 149 H SER 23 H SER 23 3.797 5.673 3.125 150 HA SER 23 HA SER 23 6.654 5.641 3.343 151 1HB SER 23 2HB SER 23 4.380 4.531 4.946 152 2HB SER 23 1HB SER 23 5.995 3.881 5.221 153 HG SER 23 HG SER 23 4.947 6.229 6.027 154 H ALA 24 H ALA 24 4.242 3.526 2.048 155 HA ALA 24 HA ALA 24 5.861 1.166 1.939 156 1HB ALA 24 1HB ALA 24 3.841 0.294 1.579 157 2HB ALA 24 2HB ALA 24 3.834 1.046 -0.018 158 3HB ALA 24 3HB ALA 24 3.157 1.905 1.363 159 H GLY 25 H GLY 25 4.709 3.512 -0.447 160 1HA GLY 25 2HA GLY 25 6.152 2.499 -2.639 161 2HA GLY 25 1HA GLY 25 5.494 4.120 -2.513 162 H VAL 26 H VAL 26 7.025 4.958 -0.225 163 HA VAL 26 HA VAL 26 9.381 5.832 -1.547 164 HB VAL 26 HB VAL 26 8.737 5.873 1.417 165 1HG1 VAL 26 1HG1 VAL 26 11.126 6.071 1.033 166 2HG1 VAL 26 2HG1 VAL 26 10.463 7.626 1.538 167 3HG1 VAL 26 3HG1 VAL 26 10.848 7.339 -0.161 168 1HG2 VAL 26 1HG2 VAL 26 7.253 7.130 -0.289 169 2HG2 VAL 26 2HG2 VAL 26 8.628 8.227 -0.425 170 3HG2 VAL 26 3HG2 VAL 26 7.843 7.984 1.136 171 H HIS 27 H HIS 27 8.770 3.336 0.900 172 HA HIS 27 HA HIS 27 11.449 2.648 1.376 173 1HB HIS 27 2HB HIS 27 8.933 0.963 1.512 174 2HB HIS 27 1HB HIS 27 10.505 0.425 2.090 175 HD1 HIS 27 1HD HIS 27 9.974 3.945 2.773 176 HD2 HIS 27 2HD HIS 27 9.052 0.344 4.624 177 HE1 HIS 27 1HE HIS 27 9.384 4.534 5.131 178 HE2 HIS 27 2HE HIS 27 8.731 2.358 6.215 179 H ARG 28 H ARG 28 9.100 1.494 -0.996 180 HA ARG 28 HA ARG 28 10.900 -0.374 -2.205 181 1HB ARG 28 2HB ARG 28 8.583 -0.865 -2.360 182 2HB ARG 28 1HB ARG 28 8.201 0.737 -2.967 183 1HG ARG 28 2HG ARG 28 7.994 -0.685 -4.801 184 2HG ARG 28 1HG ARG 28 9.553 0.110 -5.022 185 1HD ARG 28 2HD ARG 28 9.747 -2.348 -3.473 186 2HD ARG 28 1HD ARG 28 9.085 -2.609 -5.087 187 HE ARG 28 HE ARG 28 11.427 -0.962 -5.079 188 1HH1 ARG 28 1HH1 ARG 28 10.280 -4.257 -5.053 189 2HH1 ARG 28 2HH1 ARG 28 11.708 -4.893 -5.796 190 1HH2 ARG 28 1HH2 ARG 28 13.304 -1.795 -6.061 191 2HH2 ARG 28 2HH2 ARG 28 13.427 -3.495 -6.369 192 H LEU 29 H LEU 29 9.817 2.916 -2.970 193 HA LEU 29 HA LEU 29 11.216 3.087 -5.445 194 1HB LEU 29 2HB LEU 29 9.317 4.497 -5.129 195 2HB LEU 29 1HB LEU 29 9.976 5.157 -3.646 196 HG LEU 29 HG LEU 29 11.621 6.421 -4.838 197 1HD1 LEU 29 1HD1 LEU 29 11.511 6.337 -7.416 198 2HD1 LEU 29 2HD1 LEU 29 10.778 4.752 -7.176 199 3HD1 LEU 29 3HD1 LEU 29 12.399 5.076 -6.561 200 1HD2 LEU 29 1HD2 LEU 29 10.014 7.585 -6.572 201 2HD2 LEU 29 2HD2 LEU 29 9.752 7.730 -4.834 202 3HD2 LEU 29 3HD2 LEU 29 8.806 6.577 -5.776 203 H ALA 30 H ALA 30 11.714 4.736 -2.364 204 HA ALA 30 HA ALA 30 14.353 5.596 -3.002 205 1HB ALA 30 1HB ALA 30 12.421 6.248 -1.135 206 2HB ALA 30 2HB ALA 30 14.059 6.905 -1.215 207 3HB ALA 30 3HB ALA 30 13.711 5.526 -0.169 208 H ASN 31 H ASN 31 13.057 3.239 -0.684 209 HA ASN 31 HA ASN 31 14.044 1.539 0.467 210 1HB ASN 31 2HB ASN 31 14.790 -0.200 -0.941 211 2HB ASN 31 1HB ASN 31 13.706 0.746 -1.945 212 1HD2 ASN 31 1HD2 ASN 31 14.471 1.805 -3.705 213 2HD2 ASN 31 2HD2 ASN 31 16.090 1.648 -4.286 214 H GLY 32 H GLY 32 15.481 4.033 0.646 215 1HA GLY 32 2HA GLY 32 17.873 3.069 1.839 216 2HA GLY 32 1HA GLY 32 18.228 3.851 0.306 217 H GLY 33 H GLY 33 17.699 6.096 0.055 218 1HA GLY 33 2HA GLY 33 16.557 7.916 1.606 219 2HA GLY 33 1HA GLY 33 17.972 7.541 2.578 220 H ASN 34 H ASN 34 16.751 9.253 -0.129 221 HA ASN 34 HA ASN 34 17.696 10.605 -1.705 222 1HB ASN 34 2HB ASN 34 19.329 12.240 -0.786 223 2HB ASN 34 1HB ASN 34 17.903 12.043 0.228 224 1HD2 ASN 34 1HD2 ASN 34 18.106 11.218 2.253 225 2HD2 ASN 34 2HD2 ASN 34 19.629 10.899 3.006 226 H GLY 35 H GLY 35 18.449 8.741 -2.923 227 1HA GLY 35 2HA GLY 35 21.101 7.758 -2.642 228 2HA GLY 35 1HA GLY 35 20.050 7.509 -4.026 229 H PHE 36 H PHE 36 20.822 8.280 -5.860 230 HA PHE 36 HA PHE 36 21.903 10.922 -6.069 231 1HB PHE 36 2HB PHE 36 23.720 8.624 -5.811 232 2HB PHE 36 1HB PHE 36 24.035 9.624 -7.223 233 HD1 PHE 36 1HD PHE 36 24.818 9.159 -3.875 234 HD2 PHE 36 2HD PHE 36 23.980 12.241 -6.688 235 HE1 PHE 36 1HE PHE 36 26.010 10.775 -2.453 236 HE2 PHE 36 2HE PHE 36 25.171 13.862 -5.272 237 HZ PHE 36 HZ PHE 36 26.187 13.131 -3.151 238 H TRP 37 H TRP 37 22.706 8.035 -7.975 239 HA TRP 37 HA TRP 37 22.241 7.440 -10.119 240 1HB TRP 37 2HB TRP 37 19.756 8.586 -9.107 241 2HB TRP 37 1HB TRP 37 19.910 8.767 -10.850 242 HD1 TRP 37 HD TRP 37 20.702 6.266 -12.083 243 HE1 TRP 37 1HE TRP 37 19.612 3.972 -11.665 244 HE3 TRP 37 3HE TRP 37 18.503 7.222 -7.568 245 HZ2 TRP 37 2HZ TRP 37 18.029 2.733 -9.684 246 HZ3 TRP 37 3HZ TRP 37 17.218 5.428 -6.479 247 HH2 TRP 37 HH TRP 37 16.987 3.231 -7.517 Start of MODEL 18 1 HA LYS 1 HA LYS 1 -7.306 -5.939 7.523 2 1HB LYS 1 2HB LYS 1 -7.532 -7.043 5.292 3 2HB LYS 1 1HB LYS 1 -9.006 -7.100 6.250 4 1HG LYS 1 2HG LYS 1 -9.749 -5.052 4.949 5 2HG LYS 1 1HG LYS 1 -8.407 -5.395 3.857 6 1HD LYS 1 2HD LYS 1 -9.953 -6.651 2.782 7 2HD LYS 1 1HD LYS 1 -9.544 -7.840 4.023 8 1HE LYS 1 2HE LYS 1 -11.383 -7.005 5.412 9 2HE LYS 1 1HE LYS 1 -11.799 -5.848 4.150 10 1HZ LYS 1 1HZ LYS 1 -13.084 -8.030 4.253 11 2HZ LYS 1 2HZ LYS 1 -11.701 -8.738 3.583 12 3HZ LYS 1 3HZ LYS 1 -12.519 -7.519 2.742 13 H TYR 2 H TYR 2 -5.304 -5.033 7.371 14 HA TYR 2 HA TYR 2 -4.800 -2.882 5.529 15 1HB TYR 2 2HB TYR 2 -3.636 -3.690 7.912 16 2HB TYR 2 1HB TYR 2 -2.425 -4.121 6.702 17 HD1 TYR 2 1HD TYR 2 -4.517 -1.391 7.931 18 HD2 TYR 2 2HD TYR 2 -1.088 -2.437 5.694 19 HE1 TYR 2 1HE TYR 2 -3.866 0.990 7.826 20 HE2 TYR 2 2HE TYR 2 -0.427 -0.098 5.541 21 HH TYR 2 HH TYR 2 -2.378 2.411 6.126 22 H TYR 3 H TYR 3 -3.647 -3.023 3.614 23 HA TYR 3 HA TYR 3 -3.080 -5.771 2.710 24 1HB TYR 3 2HB TYR 3 -3.874 -3.258 1.249 25 2HB TYR 3 1HB TYR 3 -3.038 -4.551 0.392 26 HD1 TYR 3 1HD TYR 3 -4.094 -6.935 0.680 27 HD2 TYR 3 2HD TYR 3 -6.175 -3.307 1.363 28 HE1 TYR 3 1HE TYR 3 -6.233 -8.113 0.374 29 HE2 TYR 3 2HE TYR 3 -8.322 -4.451 1.057 30 HH TYR 3 HH TYR 3 -8.889 -6.940 -0.386 31 H GLY 4 H GLY 4 -1.310 -4.324 4.430 32 1HA GLY 4 2HA GLY 4 0.865 -3.594 4.616 33 2HA GLY 4 1HA GLY 4 1.171 -4.862 3.434 34 H ASN 5 H ASN 5 -0.840 -2.178 2.576 35 HA ASN 5 HA ASN 5 1.350 -0.739 1.290 36 1HB ASN 5 2HB ASN 5 -0.779 -2.288 -0.115 37 2HB ASN 5 1HB ASN 5 -0.417 -0.688 -0.754 38 1HD2 ASN 5 1HD2 ASN 5 0.290 -3.847 -1.080 39 2HD2 ASN 5 2HD2 ASN 5 1.879 -3.735 -1.747 40 H GLY 6 H GLY 6 -0.386 -0.195 3.539 41 1HA GLY 6 2HA GLY 6 -1.716 1.486 4.366 42 2HA GLY 6 1HA GLY 6 -1.152 2.439 3.003 43 H VAL 7 H VAL 7 -3.122 -0.515 3.092 44 HA VAL 7 HA VAL 7 -5.401 1.001 2.022 45 HB VAL 7 HB VAL 7 -4.216 -1.447 0.703 46 1HG1 VAL 7 1HG1 VAL 7 -6.592 -1.781 0.844 47 2HG1 VAL 7 2HG1 VAL 7 -6.191 -1.303 -0.804 48 3HG1 VAL 7 3HG1 VAL 7 -6.888 -0.128 0.320 49 1HG2 VAL 7 1HG2 VAL 7 -5.098 0.989 -0.734 50 2HG2 VAL 7 2HG2 VAL 7 -3.781 -0.127 -1.107 51 3HG2 VAL 7 3HG2 VAL 7 -3.595 1.074 0.174 52 H HIS 8 H HIS 8 -6.779 0.690 3.705 53 HA HIS 8 HA HIS 8 -7.172 -2.087 4.558 54 1HB HIS 8 2HB HIS 8 -8.529 -0.336 6.344 55 2HB HIS 8 1HB HIS 8 -7.163 -1.388 6.679 56 HD1 HIS 8 1HD HIS 8 -7.881 1.696 7.629 57 HD2 HIS 8 2HD HIS 8 -4.840 0.321 5.161 58 HE1 HIS 8 1HE HIS 8 -6.083 3.444 7.748 59 HE2 HIS 8 2HE HIS 8 -4.338 2.688 6.102 60 H CYS 9 H CYS 9 -9.139 -3.028 4.369 61 HA CYS 9 HA CYS 9 -11.204 -1.391 3.104 62 1HB CYS 9 2HB CYS 9 -10.092 -3.799 2.325 63 2HB CYS 9 1HB CYS 9 -11.661 -4.253 2.983 64 H THR 10 H THR 10 -11.764 -0.562 5.147 65 HA THR 10 HA THR 10 -13.061 -2.381 7.022 66 HB THR 10 HB THR 10 -12.928 -0.666 8.624 67 HG1 THR 10 1HG THR 10 -12.318 1.216 6.604 68 1HG2 THR 10 1HG2 THR 10 -10.625 -1.466 7.675 69 2HG2 THR 10 2HG2 THR 10 -10.715 -0.126 8.818 70 3HG2 THR 10 3HG2 THR 10 -10.527 0.197 7.093 71 H LYS 11 H LYS 11 -14.857 -0.747 8.194 72 HA LYS 11 HA LYS 11 -17.126 -0.505 8.116 73 1HB LYS 11 2HB LYS 11 -15.699 1.606 6.879 74 2HB LYS 11 1HB LYS 11 -17.211 1.414 6.005 75 1HG LYS 11 2HG LYS 11 -18.471 2.085 7.746 76 2HG LYS 11 1HG LYS 11 -17.373 1.405 8.948 77 1HD LYS 11 2HD LYS 11 -16.112 3.289 9.063 78 2HD LYS 11 1HD LYS 11 -16.350 3.682 7.359 79 1HE LYS 11 2HE LYS 11 -18.875 3.933 8.496 80 2HE LYS 11 1HE LYS 11 -17.781 4.617 9.697 81 1HZ LYS 11 1HZ LYS 11 -18.094 6.439 8.416 82 2HZ LYS 11 2HZ LYS 11 -18.414 5.556 7.009 83 3HZ LYS 11 3HZ LYS 11 -16.818 5.765 7.531 84 H SER 12 H SER 12 -16.719 0.265 4.716 85 HA SER 12 HA SER 12 -17.997 -2.214 3.898 86 1HB SER 12 2HB SER 12 -19.589 -0.545 2.493 87 2HB SER 12 1HB SER 12 -20.040 -1.220 4.059 88 HG SER 12 HG SER 12 -19.902 1.289 3.476 89 H GLY 13 H GLY 13 -15.443 -0.612 3.452 90 1HA GLY 13 2HA GLY 13 -15.126 -1.291 0.714 91 2HA GLY 13 1HA GLY 13 -15.316 0.446 0.890 92 H CYS 14 H CYS 14 -13.077 0.062 -0.173 93 HA CYS 14 HA CYS 14 -11.005 -0.413 1.823 94 1HB CYS 14 2HB CYS 14 -10.982 -0.260 -1.152 95 2HB CYS 14 1HB CYS 14 -9.499 -0.079 -0.225 96 H SER 15 H SER 15 -9.543 0.997 2.486 97 HA SER 15 HA SER 15 -9.725 3.763 1.520 98 1HB SER 15 2HB SER 15 -9.614 3.156 4.476 99 2HB SER 15 1HB SER 15 -9.943 4.698 3.690 100 HG SER 15 HG SER 15 -11.872 3.799 4.416 101 H VAL 16 H VAL 16 -7.849 5.080 2.200 102 HA VAL 16 HA VAL 16 -5.487 3.413 2.752 103 HB VAL 16 HB VAL 16 -5.654 5.638 0.714 104 1HG1 VAL 16 1HG1 VAL 16 -3.465 5.826 1.107 105 2HG1 VAL 16 2HG1 VAL 16 -3.304 4.272 0.297 106 3HG1 VAL 16 3HG1 VAL 16 -3.417 4.349 2.053 107 1HG2 VAL 16 1HG2 VAL 16 -6.514 3.947 -0.525 108 2HG2 VAL 16 2HG2 VAL 16 -5.812 2.700 0.510 109 3HG2 VAL 16 3HG2 VAL 16 -4.803 3.528 -0.677 110 H ASN 17 H ASN 17 -4.219 4.126 4.337 111 HA ASN 17 HA ASN 17 -4.780 6.514 5.802 112 1HB ASN 17 2HB ASN 17 -2.900 4.259 5.982 113 2HB ASN 17 1HB ASN 17 -2.228 5.782 6.559 114 1HD2 ASN 17 1HD2 ASN 17 -2.620 3.621 8.228 115 2HD2 ASN 17 2HD2 ASN 17 -3.870 3.991 9.363 116 H TRP 18 H TRP 18 -2.697 5.608 3.215 117 HA TRP 18 HA TRP 18 -1.471 6.757 1.731 118 1HB TRP 18 2HB TRP 18 -2.680 9.133 3.152 119 2HB TRP 18 1HB TRP 18 -1.580 9.292 1.777 120 HD1 TRP 18 HD TRP 18 -5.180 8.729 2.545 121 HE1 TRP 18 1HE TRP 18 -6.459 8.041 0.422 122 HE3 TRP 18 3HE TRP 18 -1.217 7.836 -0.509 123 HZ2 TRP 18 2HZ TRP 18 -5.855 7.227 -2.217 124 HZ3 TRP 18 3HZ TRP 18 -1.640 7.103 -2.828 125 HH2 TRP 18 HH TRP 18 -3.915 6.802 -3.653 126 H GLY 19 H GLY 19 -0.963 8.655 4.746 127 1HA GLY 19 2HA GLY 19 1.775 8.923 4.374 128 2HA GLY 19 1HA GLY 19 1.000 8.871 5.960 129 H GLU 20 H GLU 20 -0.099 6.175 5.436 130 HA GLU 20 HA GLU 20 2.140 4.623 6.352 131 1HB GLU 20 2HB GLU 20 -0.739 4.323 6.252 132 2HB GLU 20 1HB GLU 20 0.038 2.867 5.627 133 1HG GLU 20 2HG GLU 20 0.957 4.058 8.210 134 2HG GLU 20 1HG GLU 20 -0.501 3.069 8.155 135 H ALA 21 H ALA 21 0.143 4.793 3.450 136 HA ALA 21 HA ALA 21 1.482 2.734 2.007 137 1HB ALA 21 1HB ALA 21 0.321 3.664 0.061 138 2HB ALA 21 2HB ALA 21 -0.144 5.067 1.020 139 3HB ALA 21 3HB ALA 21 -0.775 3.473 1.432 140 H PHE 22 H PHE 22 1.824 6.178 2.377 141 HA PHE 22 HA PHE 22 3.621 6.743 0.302 142 1HB PHE 22 2HB PHE 22 2.427 8.428 1.699 143 2HB PHE 22 1HB PHE 22 3.451 7.986 3.062 144 HD1 PHE 22 1HD PHE 22 3.467 9.467 -0.316 145 HD2 PHE 22 2HD PHE 22 5.590 8.853 3.305 146 HE1 PHE 22 1HE PHE 22 5.118 11.153 -1.011 147 HE2 PHE 22 2HE PHE 22 7.248 10.549 2.629 148 HZ PHE 22 HZ PHE 22 7.015 11.693 0.463 149 H SER 23 H SER 23 4.004 5.518 3.556 150 HA SER 23 HA SER 23 6.874 5.543 3.541 151 1HB SER 23 2HB SER 23 4.757 4.476 5.337 152 2HB SER 23 1HB SER 23 6.299 3.624 5.374 153 HG SER 23 HG SER 23 6.092 6.434 5.621 154 H ALA 24 H ALA 24 4.382 3.429 2.406 155 HA ALA 24 HA ALA 24 6.029 1.109 2.046 156 1HB ALA 24 1HB ALA 24 3.400 1.386 2.224 157 2HB ALA 24 2HB ALA 24 4.132 0.067 1.310 158 3HB ALA 24 3HB ALA 24 3.538 1.500 0.470 159 H GLY 25 H GLY 25 4.609 3.533 -0.150 160 1HA GLY 25 2HA GLY 25 5.840 2.591 -2.494 161 2HA GLY 25 1HA GLY 25 5.234 4.217 -2.256 162 H VAL 26 H VAL 26 6.867 5.128 -0.168 163 HA VAL 26 HA VAL 26 9.143 5.952 -1.567 164 HB VAL 26 HB VAL 26 8.799 5.794 1.440 165 1HG1 VAL 26 1HG1 VAL 26 10.838 7.125 -0.301 166 2HG1 VAL 26 2HG1 VAL 26 11.070 6.181 1.171 167 3HG1 VAL 26 3HG1 VAL 26 10.410 7.814 1.264 168 1HG2 VAL 26 1HG2 VAL 26 8.300 8.088 -0.434 169 2HG2 VAL 26 2HG2 VAL 26 8.065 8.069 1.317 170 3HG2 VAL 26 3HG2 VAL 26 7.055 7.060 0.279 171 H HIS 27 H HIS 27 8.866 3.285 0.833 172 HA HIS 27 HA HIS 27 11.612 2.677 0.880 173 1HB HIS 27 2HB HIS 27 9.201 0.889 1.294 174 2HB HIS 27 1HB HIS 27 10.859 0.364 1.560 175 HD1 HIS 27 1HD HIS 27 9.882 3.799 2.554 176 HD2 HIS 27 2HD HIS 27 10.358 0.066 4.309 177 HE1 HIS 27 1HE HIS 27 9.821 4.212 5.015 178 HE2 HIS 27 2HE HIS 27 10.061 1.934 6.075 179 H ARG 28 H ARG 28 9.001 1.504 -1.183 180 HA ARG 28 HA ARG 28 10.625 -0.258 -2.707 181 1HB ARG 28 2HB ARG 28 8.246 -0.617 -2.559 182 2HB ARG 28 1HB ARG 28 7.918 0.969 -3.234 183 1HG ARG 28 2HG ARG 28 7.531 -0.666 -4.917 184 2HG ARG 28 1HG ARG 28 8.983 0.238 -5.344 185 1HD ARG 28 2HD ARG 28 9.230 -2.198 -5.708 186 2HD ARG 28 1HD ARG 28 10.390 -1.556 -4.545 187 HE ARG 28 HE ARG 28 8.246 -2.434 -3.058 188 1HH1 ARG 28 1HH1 ARG 28 10.513 -3.866 -5.292 189 2HH1 ARG 28 2HH1 ARG 28 10.453 -5.427 -4.542 190 1HH2 ARG 28 1HH2 ARG 28 8.170 -4.477 -2.071 191 2HH2 ARG 28 2HH2 ARG 28 9.122 -5.774 -2.711 192 H LEU 29 H LEU 29 9.539 3.063 -3.149 193 HA LEU 29 HA LEU 29 10.615 3.357 -5.765 194 1HB LEU 29 2HB LEU 29 8.729 4.645 -5.251 195 2HB LEU 29 1HB LEU 29 9.432 5.234 -3.759 196 HG LEU 29 HG LEU 29 11.004 6.614 -5.032 197 1HD1 LEU 29 1HD1 LEU 29 9.682 5.292 -7.378 198 2HD1 LEU 29 2HD1 LEU 29 11.401 5.414 -7.003 199 3HD1 LEU 29 3HD1 LEU 29 10.508 6.843 -7.523 200 1HD2 LEU 29 1HD2 LEU 29 8.083 6.896 -5.691 201 2HD2 LEU 29 2HD2 LEU 29 9.283 8.113 -6.128 202 3HD2 LEU 29 3HD2 LEU 29 9.004 7.718 -4.431 203 H ALA 30 H ALA 30 11.544 4.670 -2.622 204 HA ALA 30 HA ALA 30 13.845 6.013 -3.543 205 1HB ALA 30 1HB ALA 30 12.796 5.273 -0.846 206 2HB ALA 30 2HB ALA 30 12.915 6.861 -1.601 207 3HB ALA 30 3HB ALA 30 14.368 6.045 -1.026 208 H ASN 31 H ASN 31 13.373 2.677 -2.658 209 HA ASN 31 HA ASN 31 16.165 2.266 -2.050 210 1HB ASN 31 2HB ASN 31 14.163 0.879 -1.149 211 2HB ASN 31 1HB ASN 31 14.277 0.016 -2.682 212 1HD2 ASN 31 1HD2 ASN 31 16.673 -0.581 -3.203 213 2HD2 ASN 31 2HD2 ASN 31 17.534 -1.317 -1.899 214 H GLY 32 H GLY 32 14.136 2.151 -4.850 215 1HA GLY 32 2HA GLY 32 16.064 0.655 -6.421 216 2HA GLY 32 1HA GLY 32 14.553 1.343 -6.999 217 H GLY 33 H GLY 33 14.488 3.506 -7.672 218 1HA GLY 33 2HA GLY 33 16.201 5.543 -7.492 219 2HA GLY 33 1HA GLY 33 17.061 4.491 -8.607 220 H ASN 34 H ASN 34 13.684 5.559 -8.194 221 HA ASN 34 HA ASN 34 12.142 6.308 -9.694 222 1HB ASN 34 2HB ASN 34 14.537 7.519 -11.090 223 2HB ASN 34 1HB ASN 34 12.866 8.064 -11.191 224 1HD2 ASN 34 1HD2 ASN 34 15.657 8.987 -10.034 225 2HD2 ASN 34 2HD2 ASN 34 15.188 9.754 -8.559 226 H GLY 35 H GLY 35 11.390 4.436 -10.647 227 1HA GLY 35 2HA GLY 35 11.928 4.102 -13.419 228 2HA GLY 35 1HA GLY 35 12.705 2.832 -12.488 229 H PHE 36 H PHE 36 9.921 3.761 -14.062 230 HA PHE 36 HA PHE 36 7.798 2.967 -14.217 231 1HB PHE 36 2HB PHE 36 7.590 0.578 -14.291 232 2HB PHE 36 1HB PHE 36 9.177 1.002 -14.920 233 HD1 PHE 36 1HD PHE 36 11.112 0.103 -13.991 234 HD2 PHE 36 2HD PHE 36 7.417 -0.220 -11.918 235 HE1 PHE 36 1HE PHE 36 12.160 -1.437 -12.380 236 HE2 PHE 36 2HE PHE 36 8.454 -1.763 -10.297 237 HZ PHE 36 HZ PHE 36 10.829 -2.370 -10.529 238 H TRP 37 H TRP 37 6.029 1.636 -13.053 239 HA TRP 37 HA TRP 37 4.699 1.290 -11.234 240 1HB TRP 37 2HB TRP 37 7.019 0.544 -10.208 241 2HB TRP 37 1HB TRP 37 6.849 2.041 -9.298 242 HD1 TRP 37 HD TRP 37 5.216 2.034 -7.268 243 HE1 TRP 37 1HE TRP 37 3.706 0.251 -6.187 244 HE3 TRP 37 3HE TRP 37 5.517 -1.582 -10.870 245 HZ2 TRP 37 2HZ TRP 37 2.768 -2.343 -6.781 246 HZ3 TRP 37 3HZ TRP 37 4.284 -3.686 -10.535 247 HH2 TRP 37 HH TRP 37 2.939 -4.057 -8.533
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