NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14063 | 1wey | 10082 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -11.716 14.094 -6.819 2 HA2 GLY 1 1HA GLY 1 -10.786 14.572 -4.340 3 HA3 GLY 1 2HA GLY 1 -10.820 12.815 -4.377 4 H SER 2 H SER 2 -9.591 15.622 -6.174 5 HA SER 2 HA SER 2 -7.858 14.491 -7.921 6 HB2 SER 2 1HB SER 2 -8.269 17.001 -7.299 7 HB3 SER 2 2HB SER 2 -6.860 16.783 -6.262 8 HG SER 2 HG SER 2 -5.990 17.387 -8.148 9 H SER 3 H SER 3 -6.972 15.342 -4.571 10 HA SER 3 HA SER 3 -4.739 13.439 -4.760 11 HB2 SER 3 1HB SER 3 -5.058 16.053 -3.517 12 HB3 SER 3 2HB SER 3 -4.430 14.856 -2.385 13 HG SER 3 HG SER 3 -2.724 15.811 -3.502 14 H GLY 4 H GLY 4 -5.743 11.515 -4.272 15 HA2 GLY 4 1HA GLY 4 -7.102 11.369 -1.656 16 HA3 GLY 4 2HA GLY 4 -7.393 10.267 -2.994 17 H SER 5 H SER 5 -6.675 9.621 -0.259 18 HA SER 5 HA SER 5 -3.942 8.610 -0.507 19 HB2 SER 5 1HB SER 5 -4.728 9.782 1.591 20 HB3 SER 5 2HB SER 5 -5.778 8.396 1.886 21 HG SER 5 HG SER 5 -3.559 8.442 2.865 22 H SER 6 H SER 6 -3.512 6.572 -1.027 23 HA SER 6 HA SER 6 -5.455 4.472 -0.464 24 HB2 SER 6 1HB SER 6 -5.148 3.589 -2.828 25 HB3 SER 6 2HB SER 6 -6.131 5.045 -2.677 26 HG SER 6 HG SER 6 -4.342 6.261 -3.331 27 H GLY 7 H GLY 7 -3.355 4.553 1.027 28 HA2 GLY 7 1HA GLY 7 -1.389 2.710 -0.191 29 HA3 GLY 7 2HA GLY 7 -0.972 3.897 1.036 30 H LEU 8 H LEU 8 -0.186 1.419 1.551 31 HA LEU 8 HA LEU 8 -1.773 0.719 3.866 32 HB2 LEU 8 1HB LEU 8 -1.484 -1.065 1.486 33 HB3 LEU 8 2HB LEU 8 -1.599 -1.764 3.100 34 HG LEU 8 HG LEU 8 -3.676 0.079 1.931 35 HD11 LEU 8 1HD1 LEU 8 -4.620 -2.577 2.146 36 HD12 LEU 8 2HD1 LEU 8 -3.108 -2.621 1.239 37 HD13 LEU 8 3HD1 LEU 8 -4.433 -1.593 0.694 38 HD21 LEU 8 1HD2 LEU 8 -3.304 -0.444 4.504 39 HD22 LEU 8 2HD2 LEU 8 -4.204 -1.901 4.079 40 HD23 LEU 8 3HD2 LEU 8 -4.916 -0.311 3.801 41 H ILE 9 H ILE 9 -0.497 0.111 5.504 42 HA ILE 9 HA ILE 9 2.342 -0.318 4.929 43 HB ILE 9 HB ILE 9 1.089 0.121 7.635 44 HG12 ILE 9 1HG1 ILE 9 0.674 1.980 5.924 45 HG13 ILE 9 2HG1 ILE 9 1.447 2.447 7.435 46 HG21 ILE 9 1HG2 ILE 9 3.893 0.184 6.570 47 HG22 ILE 9 2HG2 ILE 9 3.453 0.983 8.078 48 HG23 ILE 9 3HG2 ILE 9 3.242 -0.759 7.910 49 HD11 ILE 9 1HD1 ILE 9 2.564 3.567 5.669 50 HD12 ILE 9 2HD1 ILE 9 3.642 2.299 6.252 51 HD13 ILE 9 3HD1 ILE 9 2.745 2.072 4.752 52 H ALA 10 H ALA 10 2.533 -2.454 4.410 53 HA ALA 10 HA ALA 10 1.279 -4.490 6.050 54 HB1 ALA 10 1HB ALA 10 3.237 -5.438 4.122 55 HB2 ALA 10 2HB ALA 10 1.520 -5.818 4.275 56 HB3 ALA 10 3HB ALA 10 2.029 -4.374 3.401 57 H CYS 11 H CYS 11 2.191 -5.421 7.756 58 HA CYS 11 HA CYS 11 5.037 -4.943 8.262 59 HB2 CYS 11 1HB CYS 11 2.751 -4.830 9.904 60 HB3 CYS 11 2HB CYS 11 3.665 -6.232 10.446 61 HG CYS 11 HG CYS 11 4.382 -4.130 12.091 62 H VAL 12 H VAL 12 6.328 -6.501 7.537 63 HA VAL 12 HA VAL 12 5.403 -9.289 7.643 64 HB VAL 12 HB VAL 12 7.941 -8.575 6.267 65 HG11 VAL 12 1HG1 VAL 12 5.657 -10.462 5.708 66 HG12 VAL 12 2HG1 VAL 12 7.059 -10.260 4.654 67 HG13 VAL 12 3HG1 VAL 12 7.268 -10.875 6.295 68 HG21 VAL 12 1HG2 VAL 12 6.581 -8.025 4.203 69 HG22 VAL 12 2HG2 VAL 12 5.206 -7.794 5.282 70 HG23 VAL 12 3HG2 VAL 12 6.639 -6.780 5.450 71 H ALA 13 H ALA 13 6.485 -10.836 8.771 72 HA ALA 13 HA ALA 13 8.498 -9.885 10.666 73 HB1 ALA 13 1HB ALA 13 6.492 -12.041 10.647 74 HB2 ALA 13 2HB ALA 13 8.022 -12.427 11.435 75 HB3 ALA 13 3HB ALA 13 7.075 -11.040 11.977 76 H ASN 14 H ASN 14 8.230 -11.725 7.798 77 HA ASN 14 HA ASN 14 10.529 -13.384 8.202 78 HB2 ASN 14 1HB ASN 14 9.284 -12.660 5.549 79 HB3 ASN 14 2HB ASN 14 10.215 -14.100 5.948 80 HD21 ASN 14 2HD2 ASN 14 8.608 -15.500 5.307 81 HD22 ASN 14 1HD2 ASN 14 7.143 -15.709 6.200 82 H ASP 15 H ASP 15 12.385 -12.296 8.583 83 HA ASP 15 HA ASP 15 13.147 -9.841 7.508 84 HB2 ASP 15 1HB ASP 15 15.483 -10.551 8.118 85 HB3 ASP 15 2HB ASP 15 14.306 -10.694 9.421 86 H ASP 16 H ASP 16 13.086 -12.956 6.075 87 HA ASP 16 HA ASP 16 15.098 -12.601 4.115 88 HB2 ASP 16 1HB ASP 16 12.644 -14.369 4.093 89 HB3 ASP 16 2HB ASP 16 13.975 -14.479 2.943 90 H VAL 17 H VAL 17 11.587 -12.084 4.068 91 HA VAL 17 HA VAL 17 11.118 -11.460 1.463 92 HB VAL 17 HB VAL 17 10.013 -10.209 3.964 93 HG11 VAL 17 1HG1 VAL 17 9.732 -8.432 2.481 94 HG12 VAL 17 2HG1 VAL 17 9.433 -9.499 1.108 95 HG13 VAL 17 3HG1 VAL 17 8.209 -9.314 2.366 96 HG21 VAL 17 1HG2 VAL 17 8.031 -11.481 3.392 97 HG22 VAL 17 2HG2 VAL 17 8.778 -12.018 1.887 98 HG23 VAL 17 3HG2 VAL 17 9.435 -12.548 3.435 99 H PHE 18 H PHE 18 13.068 -9.693 3.689 100 HA PHE 18 HA PHE 18 13.077 -7.277 2.078 101 HB2 PHE 18 1HB PHE 18 14.586 -8.022 4.590 102 HB3 PHE 18 2HB PHE 18 14.693 -6.455 3.795 103 HD1 PHE 18 2HD PHE 18 12.248 -8.792 5.335 104 HD2 PHE 18 1HD PHE 18 13.218 -4.764 4.364 105 HE1 PHE 18 2HE PHE 18 10.295 -8.017 6.614 106 HE2 PHE 18 1HE PHE 18 11.267 -3.982 5.643 107 HZ PHE 18 HZ PHE 18 9.802 -5.609 6.771 108 H SER 19 H SER 19 13.941 -9.498 0.651 109 HA SER 19 HA SER 19 16.717 -8.732 0.115 110 HB2 SER 19 1HB SER 19 16.491 -10.895 1.533 111 HB3 SER 19 2HB SER 19 15.932 -11.634 0.032 112 HG SER 19 HG SER 19 18.118 -11.916 0.091 113 H GLU 20 H GLU 20 17.445 -9.289 -2.036 114 HA GLU 20 HA GLU 20 15.304 -9.033 -3.966 115 HB2 GLU 20 1HB GLU 20 17.127 -8.751 -5.606 116 HB3 GLU 20 2HB GLU 20 17.278 -7.650 -4.243 117 HG2 GLU 20 1HG GLU 20 19.337 -8.364 -3.903 118 HG3 GLU 20 2HG GLU 20 18.720 -9.984 -3.589 119 H SER 21 H SER 21 16.755 -11.586 -2.469 120 HA SER 21 HA SER 21 17.427 -13.453 -4.347 121 HB2 SER 21 1HB SER 21 16.475 -13.508 -1.604 122 HB3 SER 21 2HB SER 21 15.907 -14.910 -2.511 123 HG SER 21 HG SER 21 17.915 -15.386 -1.657 124 H GLU 22 H GLU 22 14.184 -13.506 -2.879 125 HA GLU 22 HA GLU 22 12.750 -13.369 -5.294 126 HB2 GLU 22 1HB GLU 22 13.940 -15.904 -4.801 127 HB3 GLU 22 2HB GLU 22 12.207 -16.075 -4.555 128 HG2 GLU 22 1HG GLU 22 11.762 -15.901 -6.732 129 HG3 GLU 22 2HG GLU 22 12.899 -14.572 -6.956 130 H THR 23 H THR 23 12.851 -14.763 -2.048 131 HA THR 23 HA THR 23 10.278 -15.158 -1.380 132 HB THR 23 HB THR 23 11.957 -13.479 0.464 133 HG1 THR 23 1HG THR 23 12.951 -15.528 1.064 134 HG21 THR 23 1HG2 THR 23 10.596 -14.241 2.075 135 HG22 THR 23 2HG2 THR 23 10.658 -15.893 1.463 136 HG23 THR 23 3HG2 THR 23 9.527 -14.735 0.764 137 H ARG 24 H ARG 24 11.766 -12.046 -1.976 138 HA ARG 24 HA ARG 24 9.785 -10.383 -0.901 139 HB2 ARG 24 1HB ARG 24 12.009 -9.592 -1.622 140 HB3 ARG 24 2HB ARG 24 11.556 -9.871 -3.297 141 HG2 ARG 24 1HG ARG 24 10.078 -8.088 -3.331 142 HG3 ARG 24 2HG ARG 24 9.925 -8.055 -1.573 143 HD2 ARG 24 1HD ARG 24 11.290 -6.248 -1.883 144 HD3 ARG 24 2HD ARG 24 12.502 -7.516 -1.704 145 HE ARG 24 HE ARG 24 11.741 -7.141 -4.427 146 HH11 ARG 24 2HH1 ARG 24 13.718 -5.854 -1.867 147 HH12 ARG 24 1HH1 ARG 24 14.869 -5.132 -2.942 148 HH21 ARG 24 2HH2 ARG 24 13.250 -6.195 -5.852 149 HH22 ARG 24 1HH2 ARG 24 14.601 -5.326 -5.208 150 H ALA 25 H ALA 25 10.252 -11.316 -4.316 151 HA ALA 25 HA ALA 25 8.153 -10.216 -5.555 152 HB1 ALA 25 1HB ALA 25 8.460 -13.125 -6.064 153 HB2 ALA 25 2HB ALA 25 8.380 -11.778 -7.200 154 HB3 ALA 25 3HB ALA 25 9.866 -12.089 -6.305 155 H LYS 26 H LYS 26 7.830 -13.459 -4.095 156 HA LYS 26 HA LYS 26 5.213 -13.955 -4.311 157 HB2 LYS 26 1HB LYS 26 6.813 -14.274 -1.766 158 HB3 LYS 26 2HB LYS 26 5.282 -15.074 -2.096 159 HG2 LYS 26 1HG LYS 26 6.467 -16.753 -2.926 160 HG3 LYS 26 2HG LYS 26 6.853 -15.700 -4.289 161 HD2 LYS 26 1HD LYS 26 8.732 -14.829 -2.675 162 HD3 LYS 26 2HD LYS 26 8.494 -16.394 -1.894 163 HE2 LYS 26 1HE LYS 26 9.358 -15.822 -4.714 164 HE3 LYS 26 2HE LYS 26 10.217 -16.723 -3.467 165 HZ1 LYS 26 1HZ LYS 26 8.699 -18.506 -3.649 166 HZ2 LYS 26 2HZ LYS 26 9.139 -18.100 -5.231 167 HZ3 LYS 26 3HZ LYS 26 7.637 -17.616 -4.620 168 H PHE 27 H PHE 27 6.571 -11.883 -1.755 169 HA PHE 27 HA PHE 27 4.145 -11.187 -0.547 170 HB2 PHE 27 1HB PHE 27 6.125 -10.698 0.651 171 HB3 PHE 27 2HB PHE 27 6.813 -9.794 -0.695 172 HD1 PHE 27 1HD PHE 27 5.903 -7.556 -1.264 173 HD2 PHE 27 2HD PHE 27 4.721 -9.663 2.241 174 HE1 PHE 27 1HE PHE 27 5.033 -5.464 -0.304 175 HE2 PHE 27 2HE PHE 27 3.849 -7.573 3.206 176 HZ PHE 27 HZ PHE 27 4.003 -5.472 1.933 177 H GLU 28 H GLU 28 5.967 -9.582 -3.137 178 HA GLU 28 HA GLU 28 4.249 -7.377 -3.437 179 HB2 GLU 28 1HB GLU 28 6.451 -8.598 -4.951 180 HB3 GLU 28 2HB GLU 28 5.285 -7.737 -5.946 181 HG2 GLU 28 1HG GLU 28 5.707 -5.702 -4.889 182 HG3 GLU 28 2HG GLU 28 6.482 -6.476 -3.508 183 H SER 29 H SER 29 4.491 -10.317 -5.445 184 HA SER 29 HA SER 29 2.502 -9.991 -7.219 185 HB2 SER 29 1HB SER 29 3.831 -12.044 -7.090 186 HB3 SER 29 2HB SER 29 2.985 -12.515 -5.616 187 HG SER 29 HG SER 29 2.166 -12.642 -8.250 188 H LEU 30 H LEU 30 2.049 -10.872 -3.825 189 HA LEU 30 HA LEU 30 -0.625 -11.448 -3.742 190 HB2 LEU 30 1HB LEU 30 1.005 -9.850 -1.777 191 HB3 LEU 30 2HB LEU 30 -0.611 -10.469 -1.446 192 HG LEU 30 HG LEU 30 1.746 -12.224 -2.114 193 HD11 LEU 30 1HD1 LEU 30 0.830 -12.362 0.615 194 HD12 LEU 30 2HD1 LEU 30 1.392 -10.739 0.213 195 HD13 LEU 30 3HD1 LEU 30 2.460 -12.123 -0.015 196 HD21 LEU 30 1HD2 LEU 30 -0.801 -12.889 -2.354 197 HD22 LEU 30 2HD2 LEU 30 -0.658 -13.115 -0.611 198 HD23 LEU 30 3HD2 LEU 30 0.393 -14.015 -1.706 199 H PHE 31 H PHE 31 0.846 -8.214 -3.604 200 HA PHE 31 HA PHE 31 -1.770 -6.960 -3.751 201 HB2 PHE 31 1HB PHE 31 0.902 -5.563 -3.838 202 HB3 PHE 31 2HB PHE 31 -0.653 -4.899 -3.350 203 HD1 PHE 31 1HD PHE 31 2.003 -7.281 -2.380 204 HD2 PHE 31 2HD PHE 31 -1.379 -5.023 -1.122 205 HE1 PHE 31 1HE PHE 31 2.511 -7.831 -0.036 206 HE2 PHE 31 2HE PHE 31 -0.876 -5.569 1.223 207 HZ PHE 31 HZ PHE 31 1.072 -6.974 1.769 208 H ARG 32 H ARG 32 1.243 -6.882 -5.657 209 HA ARG 32 HA ARG 32 0.526 -5.347 -7.770 210 HB2 ARG 32 1HB ARG 32 2.615 -7.009 -7.258 211 HB3 ARG 32 2HB ARG 32 1.829 -7.869 -8.577 212 HG2 ARG 32 1HG ARG 32 2.346 -4.952 -8.868 213 HG3 ARG 32 2HG ARG 32 3.685 -6.086 -9.044 214 HD2 ARG 32 1HD ARG 32 2.077 -7.342 -10.646 215 HD3 ARG 32 2HD ARG 32 1.206 -5.811 -10.697 216 HE ARG 32 HE ARG 32 2.918 -4.904 -11.938 217 HH11 ARG 32 2HH1 ARG 32 3.899 -7.985 -10.648 218 HH12 ARG 32 1HH1 ARG 32 5.341 -8.074 -11.604 219 HH21 ARG 32 2HH2 ARG 32 4.813 -5.009 -13.203 220 HH22 ARG 32 1HH2 ARG 32 5.861 -6.380 -13.057 221 H THR 33 H THR 33 -0.280 -8.777 -7.352 222 HA THR 33 HA THR 33 -1.450 -9.413 -9.718 223 HB THR 33 HB THR 33 -1.282 -10.911 -7.708 224 HG1 THR 33 1HG THR 33 -3.796 -10.777 -9.050 225 HG21 THR 33 1HG2 THR 33 -3.978 -9.870 -6.905 226 HG22 THR 33 2HG2 THR 33 -2.505 -9.153 -6.249 227 HG23 THR 33 3HG2 THR 33 -2.848 -10.863 -5.984 228 H TYR 34 H TYR 34 -2.886 -7.487 -7.125 229 HA TYR 34 HA TYR 34 -5.433 -7.238 -8.389 230 HB2 TYR 34 1HB TYR 34 -4.357 -5.319 -6.338 231 HB3 TYR 34 2HB TYR 34 -6.022 -5.823 -6.604 232 HD1 TYR 34 2HD TYR 34 -5.973 -8.681 -6.574 233 HD2 TYR 34 1HD TYR 34 -3.680 -5.969 -4.231 234 HE1 TYR 34 2HE TYR 34 -5.736 -10.399 -4.829 235 HE2 TYR 34 1HE TYR 34 -3.436 -7.680 -2.480 236 HH TYR 34 HH TYR 34 -4.482 -10.973 -2.972 237 H ASP 35 H ASP 35 -3.117 -4.646 -7.613 238 HA ASP 35 HA ASP 35 -3.947 -3.284 -10.083 239 HB2 ASP 35 1HB ASP 35 -3.283 -2.363 -7.374 240 HB3 ASP 35 2HB ASP 35 -2.538 -1.414 -8.657 241 H LYS 36 H LYS 36 -2.411 -2.406 -11.482 242 HA LYS 36 HA LYS 36 0.193 -3.725 -11.363 243 HB2 LYS 36 1HB LYS 36 -1.024 -2.131 -13.623 244 HB3 LYS 36 2HB LYS 36 0.410 -3.145 -13.707 245 HG2 LYS 36 1HG LYS 36 -1.653 -4.784 -12.741 246 HG3 LYS 36 2HG LYS 36 -2.337 -3.853 -14.075 247 HD2 LYS 36 1HD LYS 36 -1.443 -5.745 -15.113 248 HD3 LYS 36 2HD LYS 36 -0.207 -4.509 -15.356 249 HE2 LYS 36 1HE LYS 36 1.282 -5.821 -14.363 250 HE3 LYS 36 2HE LYS 36 0.329 -5.766 -12.880 251 HZ1 LYS 36 1HZ LYS 36 -1.030 -7.612 -13.919 252 HZ2 LYS 36 2HZ LYS 36 0.530 -8.020 -13.409 253 HZ3 LYS 36 3HZ LYS 36 0.216 -7.771 -15.053 254 H ASP 37 H ASP 37 -1.268 -0.598 -11.098 255 HA ASP 37 HA ASP 37 1.257 0.811 -11.386 256 HB2 ASP 37 1HB ASP 37 -1.247 1.572 -11.988 257 HB3 ASP 37 2HB ASP 37 -1.148 2.212 -10.351 258 H THR 38 H THR 38 0.213 -1.086 -9.070 259 HA THR 38 HA THR 38 0.343 0.531 -6.729 260 HB THR 38 HB THR 38 0.925 -1.902 -5.748 261 HG1 THR 38 1HG THR 38 -0.656 -2.613 -7.969 262 HG21 THR 38 1HG2 THR 38 -1.663 -2.284 -5.909 263 HG22 THR 38 2HG2 THR 38 -1.659 -0.657 -6.590 264 HG23 THR 38 3HG2 THR 38 -1.023 -0.937 -4.969 265 H THR 39 H THR 39 2.054 1.250 -5.636 266 HA THR 39 HA THR 39 4.716 0.358 -6.492 267 HB THR 39 HB THR 39 5.584 2.416 -5.861 268 HG1 THR 39 1HG THR 39 4.990 2.894 -3.862 269 HG21 THR 39 1HG2 THR 39 2.857 3.479 -6.402 270 HG22 THR 39 2HG2 THR 39 3.612 2.458 -7.627 271 HG23 THR 39 3HG2 THR 39 4.408 3.942 -7.101 272 H PHE 40 H PHE 40 6.247 -0.364 -5.046 273 HA PHE 40 HA PHE 40 5.277 -0.907 -2.316 274 HB2 PHE 40 1HB PHE 40 7.187 -2.584 -3.957 275 HB3 PHE 40 2HB PHE 40 6.616 -2.953 -2.333 276 HD1 PHE 40 1HD PHE 40 5.233 -2.181 -5.712 277 HD2 PHE 40 2HD PHE 40 4.892 -4.449 -2.126 278 HE1 PHE 40 1HE PHE 40 3.321 -3.400 -6.668 279 HE2 PHE 40 2HE PHE 40 2.980 -5.672 -3.077 280 HZ PHE 40 HZ PHE 40 2.193 -5.148 -5.351 281 H GLN 41 H GLN 41 6.509 -0.263 -0.651 282 HA GLN 41 HA GLN 41 9.255 0.629 -1.216 283 HB2 GLN 41 1HB GLN 41 7.103 2.299 -0.585 284 HB3 GLN 41 2HB GLN 41 8.012 2.150 0.912 285 HG2 GLN 41 1HG GLN 41 9.971 3.015 -0.076 286 HG3 GLN 41 2HG GLN 41 9.305 2.862 -1.701 287 HE21 GLN 41 2HE2 GLN 41 7.378 4.194 -2.162 288 HE22 GLN 41 1HE2 GLN 41 7.297 5.773 -1.469 289 H TYR 42 H TYR 42 10.476 -0.830 -0.193 290 HA TYR 42 HA TYR 42 9.632 -1.938 2.358 291 HB2 TYR 42 1HB TYR 42 12.052 -2.514 0.638 292 HB3 TYR 42 2HB TYR 42 11.650 -3.367 2.123 293 HD1 TYR 42 2HD TYR 42 10.698 -2.823 -1.383 294 HD2 TYR 42 1HD TYR 42 9.885 -5.006 2.176 295 HE1 TYR 42 2HE TYR 42 9.309 -4.391 -2.671 296 HE2 TYR 42 1HE TYR 42 8.493 -6.582 0.898 297 HH TYR 42 HH TYR 42 8.380 -6.532 -2.576 298 H PHE 43 H PHE 43 10.428 -1.388 4.295 299 HA PHE 43 HA PHE 43 12.626 0.573 4.357 300 HB2 PHE 43 1HB PHE 43 10.374 0.222 6.348 301 HB3 PHE 43 2HB PHE 43 11.648 1.433 6.434 302 HD1 PHE 43 1HD PHE 43 11.732 3.256 4.760 303 HD2 PHE 43 2HD PHE 43 8.474 0.527 4.973 304 HE1 PHE 43 1HE PHE 43 10.356 4.804 3.432 305 HE2 PHE 43 2HE PHE 43 7.092 2.069 3.644 306 HZ PHE 43 HZ PHE 43 8.032 4.210 2.871 307 H LYS 44 H LYS 44 14.367 -0.743 4.660 308 HA LYS 44 HA LYS 44 14.485 -3.041 6.228 309 HB2 LYS 44 1HB LYS 44 16.196 -2.026 4.540 310 HB3 LYS 44 2HB LYS 44 16.853 -1.219 5.957 311 HG2 LYS 44 1HG LYS 44 17.738 -3.113 6.792 312 HG3 LYS 44 2HG LYS 44 16.399 -4.116 6.230 313 HD2 LYS 44 1HD LYS 44 17.837 -4.866 4.686 314 HD3 LYS 44 2HD LYS 44 17.576 -3.316 3.883 315 HE2 LYS 44 1HE LYS 44 19.467 -2.507 5.504 316 HE3 LYS 44 2HE LYS 44 19.863 -4.223 5.573 317 HZ1 LYS 44 1HZ LYS 44 20.626 -4.219 3.476 318 HZ2 LYS 44 2HZ LYS 44 20.812 -2.557 3.726 319 HZ3 LYS 44 3HZ LYS 44 19.448 -3.143 2.915 320 H SER 45 H SER 45 15.095 -3.458 8.335 321 HA SER 45 HA SER 45 15.595 -3.054 10.541 322 HB2 SER 45 1HB SER 45 16.859 -0.983 9.468 323 HB3 SER 45 2HB SER 45 15.530 -0.085 10.201 324 HG SER 45 HG SER 45 16.777 -0.196 11.902 325 H PHE 46 H PHE 46 13.347 -0.775 9.020 326 HA PHE 46 HA PHE 46 11.715 -0.565 11.380 327 HB2 PHE 46 1HB PHE 46 11.327 0.392 8.541 328 HB3 PHE 46 2HB PHE 46 10.166 0.689 9.832 329 HD1 PHE 46 2HD PHE 46 10.755 2.152 11.714 330 HD2 PHE 46 1HD PHE 46 13.363 1.615 8.393 331 HE1 PHE 46 2HE PHE 46 12.008 4.164 12.376 332 HE2 PHE 46 1HE PHE 46 14.620 3.625 9.051 333 HZ PHE 46 HZ PHE 46 13.941 4.903 11.044 334 H LYS 47 H LYS 47 12.120 -2.958 9.160 335 HA LYS 47 HA LYS 47 10.817 -4.651 8.313 336 HB2 LYS 47 1HB LYS 47 9.620 -4.504 11.082 337 HB3 LYS 47 2HB LYS 47 9.703 -5.918 10.041 338 HG2 LYS 47 1HG LYS 47 12.249 -4.588 10.787 339 HG3 LYS 47 2HG LYS 47 11.408 -5.535 12.016 340 HD2 LYS 47 1HD LYS 47 11.552 -7.509 10.743 341 HD3 LYS 47 2HD LYS 47 11.977 -6.628 9.274 342 HE2 LYS 47 1HE LYS 47 13.896 -6.014 11.283 343 HE3 LYS 47 2HE LYS 47 13.701 -7.764 11.221 344 HZ1 LYS 47 1HZ LYS 47 15.328 -6.432 9.614 345 HZ2 LYS 47 2HZ LYS 47 13.930 -6.400 8.662 346 HZ3 LYS 47 3HZ LYS 47 14.577 -7.880 9.162 347 H ARG 48 H ARG 48 9.765 -2.266 7.461 348 HA ARG 48 HA ARG 48 6.875 -2.812 7.562 349 HB2 ARG 48 1HB ARG 48 8.331 -0.218 7.867 350 HB3 ARG 48 2HB ARG 48 6.751 -0.222 7.096 351 HG2 ARG 48 1HG ARG 48 5.962 -1.509 9.171 352 HG3 ARG 48 2HG ARG 48 7.471 -0.959 9.905 353 HD2 ARG 48 1HD ARG 48 6.804 1.216 9.978 354 HD3 ARG 48 2HD ARG 48 5.814 1.073 8.526 355 HE ARG 48 HE ARG 48 4.498 -0.433 10.369 356 HH11 ARG 48 2HH1 ARG 48 5.646 2.853 10.277 357 HH12 ARG 48 1HH1 ARG 48 4.396 3.458 11.313 358 HH21 ARG 48 2HH2 ARG 48 2.846 0.351 11.734 359 HH22 ARG 48 1HH2 ARG 48 2.805 2.033 12.142 360 H VAL 49 H VAL 49 5.690 -2.255 5.654 361 HA VAL 49 HA VAL 49 7.286 -1.729 3.254 362 HB VAL 49 HB VAL 49 5.205 -3.891 3.190 363 HG11 VAL 49 1HG1 VAL 49 6.476 -2.610 1.195 364 HG12 VAL 49 2HG1 VAL 49 7.606 -3.937 1.477 365 HG13 VAL 49 3HG1 VAL 49 5.921 -4.280 1.084 366 HG21 VAL 49 1HG2 VAL 49 7.006 -4.375 4.915 367 HG22 VAL 49 2HG2 VAL 49 6.792 -5.576 3.640 368 HG23 VAL 49 3HG2 VAL 49 8.138 -4.440 3.564 369 H ARG 50 H ARG 50 6.405 0.164 2.661 370 HA ARG 50 HA ARG 50 3.563 0.644 2.907 371 HB2 ARG 50 1HB ARG 50 5.115 2.459 3.387 372 HB3 ARG 50 2HB ARG 50 5.784 2.346 1.765 373 HG2 ARG 50 1HG ARG 50 4.136 3.562 0.870 374 HG3 ARG 50 2HG ARG 50 2.892 2.760 1.832 375 HD2 ARG 50 1HD ARG 50 3.260 4.175 3.677 376 HD3 ARG 50 2HD ARG 50 4.790 4.758 3.023 377 HE ARG 50 HE ARG 50 2.830 5.469 1.203 378 HH11 ARG 50 2HH1 ARG 50 3.607 6.132 4.531 379 HH12 ARG 50 1HH1 ARG 50 2.902 7.714 4.517 380 HH21 ARG 50 2HH2 ARG 50 1.899 7.551 1.171 381 HH22 ARG 50 1HH2 ARG 50 1.931 8.520 2.605 382 H ILE 51 H ILE 51 2.187 -0.091 1.439 383 HA ILE 51 HA ILE 51 3.083 -0.300 -1.359 384 HB ILE 51 HB ILE 51 0.824 -1.783 -0.008 385 HG12 ILE 51 1HG1 ILE 51 3.069 -3.328 -1.072 386 HG13 ILE 51 2HG1 ILE 51 3.536 -2.248 0.238 387 HG21 ILE 51 1HG2 ILE 51 1.535 -1.372 -2.784 388 HG22 ILE 51 2HG2 ILE 51 1.525 -3.082 -2.357 389 HG23 ILE 51 3HG2 ILE 51 0.087 -2.098 -2.086 390 HD11 ILE 51 1HD1 ILE 51 2.839 -3.806 1.643 391 HD12 ILE 51 2HD1 ILE 51 1.192 -3.468 1.107 392 HD13 ILE 51 3HD1 ILE 51 2.125 -4.749 0.333 393 H ASN 52 H ASN 52 2.447 1.452 -2.445 394 HA ASN 52 HA ASN 52 -0.093 2.732 -1.813 395 HB2 ASN 52 1HB ASN 52 2.135 3.513 -3.704 396 HB3 ASN 52 2HB ASN 52 0.671 4.458 -3.451 397 HD21 ASN 52 2HD2 ASN 52 3.813 4.185 -2.606 398 HD22 ASN 52 1HD2 ASN 52 3.780 4.988 -1.076 399 H PHE 53 H PHE 53 -1.850 2.772 -3.126 400 HA PHE 53 HA PHE 53 -1.711 1.108 -5.552 401 HB2 PHE 53 1HB PHE 53 -4.105 1.678 -3.792 402 HB3 PHE 53 2HB PHE 53 -4.097 0.644 -5.216 403 HD1 PHE 53 1HD PHE 53 -2.389 1.030 -1.928 404 HD2 PHE 53 2HD PHE 53 -3.792 -1.622 -4.947 405 HE1 PHE 53 1HE PHE 53 -1.775 -0.892 -0.520 406 HE2 PHE 53 2HE PHE 53 -3.181 -3.548 -3.544 407 HZ PHE 53 HZ PHE 53 -2.171 -3.185 -1.327 408 H SER 54 H SER 54 -3.624 1.688 -7.094 409 HA SER 54 HA SER 54 -3.338 4.532 -7.684 410 HB2 SER 54 1HB SER 54 -3.445 3.947 -9.858 411 HB3 SER 54 2HB SER 54 -3.260 2.287 -9.291 412 HG SER 54 HG SER 54 -5.387 1.952 -9.519 413 H ASN 55 H ASN 55 -5.585 2.379 -6.335 414 HA ASN 55 HA ASN 55 -7.602 4.484 -6.279 415 HB2 ASN 55 1HB ASN 55 -9.397 2.818 -6.840 416 HB3 ASN 55 2HB ASN 55 -8.330 3.215 -8.183 417 HD21 ASN 55 2HD2 ASN 55 -8.763 1.315 -9.266 418 HD22 ASN 55 1HD2 ASN 55 -8.172 -0.217 -8.729 419 HA PRO 56 HA PRO 56 -8.046 3.173 -2.107 420 HB2 PRO 56 1HB PRO 56 -10.571 4.035 -1.608 421 HB3 PRO 56 2HB PRO 56 -9.194 5.132 -1.759 422 HG2 PRO 56 1HG PRO 56 -11.281 4.421 -3.784 423 HG3 PRO 56 2HG PRO 56 -10.594 6.008 -3.397 424 HD2 PRO 56 1HD PRO 56 -9.799 4.560 -5.542 425 HD3 PRO 56 2HD PRO 56 -8.698 5.634 -4.654 426 H LEU 57 H LEU 57 -9.629 1.725 -4.642 427 HA LEU 57 HA LEU 57 -11.455 0.087 -3.124 428 HB2 LEU 57 1HB LEU 57 -10.521 -0.083 -5.985 429 HB3 LEU 57 2HB LEU 57 -11.774 -1.100 -5.275 430 HG LEU 57 HG LEU 57 -12.578 1.540 -4.786 431 HD11 LEU 57 1HD1 LEU 57 -11.327 2.640 -6.342 432 HD12 LEU 57 2HD1 LEU 57 -12.691 2.155 -7.348 433 HD13 LEU 57 3HD1 LEU 57 -11.189 1.232 -7.395 434 HD21 LEU 57 1HD2 LEU 57 -14.479 0.924 -5.985 435 HD22 LEU 57 2HD2 LEU 57 -13.851 -0.613 -5.387 436 HD23 LEU 57 3HD2 LEU 57 -13.572 -0.138 -7.063 437 H SER 58 H SER 58 -8.754 -0.818 -5.271 438 HA SER 58 HA SER 58 -8.402 -3.403 -4.467 439 HB2 SER 58 1HB SER 58 -6.946 -1.558 -6.002 440 HB3 SER 58 2HB SER 58 -5.806 -2.169 -4.801 441 HG SER 58 HG SER 58 -5.671 -3.701 -6.283 442 H ALA 59 H ALA 59 -6.784 -0.565 -3.047 443 HA ALA 59 HA ALA 59 -5.196 -1.617 -1.154 444 HB1 ALA 59 1HB ALA 59 -5.429 0.349 0.108 445 HB2 ALA 59 2HB ALA 59 -5.772 0.829 -1.554 446 HB3 ALA 59 3HB ALA 59 -7.096 0.589 -0.415 447 H ALA 60 H ALA 60 -8.715 -1.514 -1.015 448 HA ALA 60 HA ALA 60 -8.946 -2.453 1.657 449 HB1 ALA 60 1HB ALA 60 -10.710 -1.657 -0.447 450 HB2 ALA 60 2HB ALA 60 -11.259 -3.191 0.231 451 HB3 ALA 60 3HB ALA 60 -11.031 -1.794 1.282 452 H ASP 61 H ASP 61 -9.637 -4.120 -1.425 453 HA ASP 61 HA ASP 61 -9.993 -6.667 -0.417 454 HB2 ASP 61 1HB ASP 61 -9.602 -5.477 -2.998 455 HB3 ASP 61 2HB ASP 61 -8.651 -6.958 -2.894 456 H ALA 62 H ALA 62 -7.006 -4.976 -1.169 457 HA ALA 62 HA ALA 62 -5.212 -7.105 -1.061 458 HB1 ALA 62 1HB ALA 62 -4.905 -4.193 -0.391 459 HB2 ALA 62 2HB ALA 62 -3.554 -5.325 -0.318 460 HB3 ALA 62 3HB ALA 62 -4.392 -5.047 -1.846 461 H ARG 63 H ARG 63 -6.918 -5.465 1.477 462 HA ARG 63 HA ARG 63 -5.223 -6.405 3.601 463 HB2 ARG 63 1HB ARG 63 -6.430 -4.345 3.932 464 HB3 ARG 63 2HB ARG 63 -7.964 -5.137 3.600 465 HG2 ARG 63 1HG ARG 63 -7.671 -6.500 5.630 466 HG3 ARG 63 2HG ARG 63 -6.176 -5.626 5.973 467 HD2 ARG 63 1HD ARG 63 -7.418 -3.535 6.117 468 HD3 ARG 63 2HD ARG 63 -8.913 -4.384 5.730 469 HE ARG 63 HE ARG 63 -7.571 -5.428 8.042 470 HH11 ARG 63 2HH1 ARG 63 -9.790 -3.013 6.876 471 HH12 ARG 63 1HH1 ARG 63 -10.575 -2.807 8.407 472 HH21 ARG 63 2HH2 ARG 63 -8.596 -5.167 10.063 473 HH22 ARG 63 1HH2 ARG 63 -9.895 -4.033 10.219 474 H LEU 64 H LEU 64 -8.544 -7.172 2.550 475 HA LEU 64 HA LEU 64 -8.967 -9.294 4.325 476 HB2 LEU 64 1HB LEU 64 -10.938 -9.583 3.260 477 HB3 LEU 64 2HB LEU 64 -10.529 -7.999 2.605 478 HG LEU 64 HG LEU 64 -9.464 -9.405 0.669 479 HD11 LEU 64 1HD1 LEU 64 -10.053 -11.562 0.435 480 HD12 LEU 64 2HD1 LEU 64 -11.654 -11.312 1.129 481 HD13 LEU 64 3HD1 LEU 64 -10.255 -11.494 2.186 482 HD21 LEU 64 1HD2 LEU 64 -11.716 -7.947 0.931 483 HD22 LEU 64 2HD2 LEU 64 -12.406 -9.518 0.521 484 HD23 LEU 64 3HD2 LEU 64 -11.239 -8.757 -0.562 485 H ARG 65 H ARG 65 -7.564 -9.223 1.086 486 HA ARG 65 HA ARG 65 -7.303 -12.072 0.903 487 HB2 ARG 65 1HB ARG 65 -6.478 -9.731 -0.742 488 HB3 ARG 65 2HB ARG 65 -5.615 -11.243 -0.985 489 HG2 ARG 65 1HG ARG 65 -8.327 -11.923 -0.963 490 HG3 ARG 65 2HG ARG 65 -8.206 -10.449 -1.925 491 HD2 ARG 65 1HD ARG 65 -6.441 -11.492 -3.277 492 HD3 ARG 65 2HD ARG 65 -6.593 -12.967 -2.323 493 HE ARG 65 HE ARG 65 -9.073 -12.161 -3.492 494 HH11 ARG 65 2HH1 ARG 65 -6.069 -13.809 -4.106 495 HH12 ARG 65 1HH1 ARG 65 -6.715 -14.788 -5.380 496 HH21 ARG 65 2HH2 ARG 65 -9.936 -13.444 -5.169 497 HH22 ARG 65 1HH2 ARG 65 -8.915 -14.580 -5.984 498 H LEU 66 H LEU 66 -5.708 -9.796 2.707 499 HA LEU 66 HA LEU 66 -3.394 -11.573 3.021 500 HB2 LEU 66 1HB LEU 66 -3.113 -8.584 3.070 501 HB3 LEU 66 2HB LEU 66 -1.839 -9.801 3.025 502 HG LEU 66 HG LEU 66 -3.748 -9.385 0.737 503 HD11 LEU 66 1HD1 LEU 66 -2.080 -7.421 1.609 504 HD12 LEU 66 2HD1 LEU 66 -2.596 -7.640 -0.063 505 HD13 LEU 66 3HD1 LEU 66 -1.046 -8.288 0.473 506 HD21 LEU 66 1HD2 LEU 66 -0.946 -10.380 0.533 507 HD22 LEU 66 2HD2 LEU 66 -2.346 -10.735 -0.480 508 HD23 LEU 66 3HD2 LEU 66 -2.205 -11.469 1.119 509 H HIS 67 H HIS 67 -2.219 -9.539 4.863 510 HA HIS 67 HA HIS 67 -2.419 -8.766 7.025 511 HB2 HIS 67 1HB HIS 67 -4.969 -8.611 6.351 512 HB3 HIS 67 2HB HIS 67 -5.106 -10.024 7.394 513 HD1 HIS 67 1HD HIS 67 -2.549 -7.669 8.526 514 HD2 HIS 67 2HD HIS 67 -6.632 -8.207 9.069 515 HE1 HIS 67 1HE HIS 67 -3.146 -6.289 10.541 516 H LYS 68 H LYS 68 -4.036 -10.383 8.996 517 HA LYS 68 HA LYS 68 -2.207 -11.919 10.184 518 HB2 LYS 68 1HB LYS 68 -5.156 -12.409 9.868 519 HB3 LYS 68 2HB LYS 68 -4.158 -13.504 10.816 520 HG2 LYS 68 1HG LYS 68 -3.716 -11.911 12.435 521 HG3 LYS 68 2HG LYS 68 -4.102 -10.565 11.360 522 HD2 LYS 68 1HD LYS 68 -6.350 -12.372 11.768 523 HD3 LYS 68 2HD LYS 68 -5.769 -11.651 13.271 524 HE2 LYS 68 1HE LYS 68 -5.882 -9.677 11.179 525 HE3 LYS 68 2HE LYS 68 -7.440 -10.487 11.344 526 HZ1 LYS 68 1HZ LYS 68 -6.133 -9.663 13.812 527 HZ2 LYS 68 2HZ LYS 68 -7.770 -9.628 13.390 528 HZ3 LYS 68 3HZ LYS 68 -6.727 -8.420 12.830 529 H THR 69 H THR 69 -3.912 -12.772 7.257 530 HA THR 69 HA THR 69 -3.706 -15.393 6.890 531 HB THR 69 HB THR 69 -2.967 -15.006 4.523 532 HG1 THR 69 1HG THR 69 -1.765 -12.971 5.368 533 HG21 THR 69 1HG2 THR 69 -5.097 -14.516 4.052 534 HG22 THR 69 2HG2 THR 69 -4.956 -12.909 4.764 535 HG23 THR 69 3HG2 THR 69 -5.339 -14.296 5.783 536 H GLU 70 H GLU 70 -2.234 -16.964 7.015 537 HA GLU 70 HA GLU 70 0.395 -16.472 7.898 538 HB2 GLU 70 1HB GLU 70 -1.228 -18.816 7.195 539 HB3 GLU 70 2HB GLU 70 0.493 -19.029 6.911 540 HG2 GLU 70 1HG GLU 70 1.009 -18.584 9.188 541 HG3 GLU 70 2HG GLU 70 -0.644 -18.069 9.521 542 H PHE 71 H PHE 71 1.511 -15.149 6.497 543 HA PHE 71 HA PHE 71 1.704 -15.716 3.693 544 HB2 PHE 71 1HB PHE 71 1.888 -13.428 4.307 545 HB3 PHE 71 2HB PHE 71 3.122 -13.776 5.514 546 HD1 PHE 71 2HD PHE 71 2.449 -13.564 1.897 547 HD2 PHE 71 1HD PHE 71 5.412 -13.893 4.934 548 HE1 PHE 71 2HE PHE 71 4.201 -13.094 0.235 549 HE2 PHE 71 1HE PHE 71 7.169 -13.423 3.278 550 HZ PHE 71 HZ PHE 71 6.564 -13.024 0.923 551 H LEU 72 H LEU 72 2.673 -17.591 3.166 552 HA LEU 72 HA LEU 72 4.308 -19.138 2.855 553 HB2 LEU 72 1HB LEU 72 5.832 -16.690 3.577 554 HB3 LEU 72 2HB LEU 72 6.694 -18.227 3.552 555 HG LEU 72 HG LEU 72 5.226 -18.029 1.134 556 HD11 LEU 72 1HD1 LEU 72 7.037 -15.664 1.414 557 HD12 LEU 72 2HD1 LEU 72 5.325 -15.541 1.821 558 HD13 LEU 72 3HD1 LEU 72 5.812 -15.997 0.189 559 HD21 LEU 72 1HD2 LEU 72 8.132 -17.498 1.164 560 HD22 LEU 72 2HD2 LEU 72 7.199 -18.675 0.238 561 HD23 LEU 72 3HD2 LEU 72 7.596 -18.997 1.927 562 H GLY 73 H GLY 73 2.983 -18.647 5.559 563 HA2 GLY 73 1HA GLY 73 3.093 -20.403 7.236 564 HA3 GLY 73 2HA GLY 73 4.843 -20.351 7.090 565 H LYS 74 H LYS 74 4.679 -17.336 7.002 566 HA LYS 74 HA LYS 74 4.504 -16.969 9.912 567 HB2 LYS 74 1HB LYS 74 5.933 -15.327 7.813 568 HB3 LYS 74 2HB LYS 74 5.916 -14.967 9.535 569 HG2 LYS 74 1HG LYS 74 6.791 -17.683 8.880 570 HG3 LYS 74 2HG LYS 74 7.835 -16.403 8.258 571 HD2 LYS 74 1HD LYS 74 7.765 -15.420 10.603 572 HD3 LYS 74 2HD LYS 74 7.049 -16.952 11.110 573 HE2 LYS 74 1HE LYS 74 8.996 -18.157 10.321 574 HE3 LYS 74 2HE LYS 74 9.697 -16.666 9.694 575 HZ1 LYS 74 1HZ LYS 74 10.447 -17.554 11.981 576 HZ2 LYS 74 2HZ LYS 74 9.004 -16.879 12.548 577 HZ3 LYS 74 3HZ LYS 74 10.161 -15.897 11.800 578 H GLU 75 H GLU 75 2.855 -15.866 10.723 579 HA GLU 75 HA GLU 75 0.852 -14.697 9.122 580 HB2 GLU 75 1HB GLU 75 0.259 -15.533 11.282 581 HB3 GLU 75 2HB GLU 75 1.441 -14.502 12.074 582 HG2 GLU 75 1HG GLU 75 -0.194 -12.737 10.697 583 HG3 GLU 75 2HG GLU 75 -1.297 -13.953 11.341 584 H MET 76 H MET 76 0.706 -12.754 8.219 585 HA MET 76 HA MET 76 2.622 -10.684 9.062 586 HB2 MET 76 1HB MET 76 3.102 -10.988 6.835 587 HB3 MET 76 2HB MET 76 1.452 -11.439 6.428 588 HG2 MET 76 1HG MET 76 0.758 -9.112 6.618 589 HG3 MET 76 2HG MET 76 2.403 -8.654 7.052 590 HE1 MET 76 1HE MET 76 0.105 -10.266 4.659 591 HE2 MET 76 2HE MET 76 0.609 -9.711 3.063 592 HE3 MET 76 3HE MET 76 1.340 -11.154 3.766 593 H LYS 77 H LYS 77 1.877 -8.437 8.930 594 HA LYS 77 HA LYS 77 -1.000 -8.199 9.528 595 HB2 LYS 77 1HB LYS 77 1.397 -7.058 10.890 596 HB3 LYS 77 2HB LYS 77 -0.074 -6.096 10.853 597 HG2 LYS 77 1HG LYS 77 -1.290 -7.744 12.040 598 HG3 LYS 77 2HG LYS 77 0.001 -8.932 11.845 599 HD2 LYS 77 1HD LYS 77 0.822 -6.436 13.155 600 HD3 LYS 77 2HD LYS 77 -0.367 -7.382 14.054 601 HE2 LYS 77 1HE LYS 77 1.122 -8.979 14.554 602 HE3 LYS 77 2HE LYS 77 1.788 -8.993 12.923 603 HZ1 LYS 77 1HZ LYS 77 3.043 -6.977 13.498 604 HZ2 LYS 77 2HZ LYS 77 3.462 -8.294 14.474 605 HZ3 LYS 77 3HZ LYS 77 2.463 -7.073 15.084 606 H LEU 78 H LEU 78 -1.879 -5.987 9.160 607 HA LEU 78 HA LEU 78 -0.455 -4.359 7.223 608 HB2 LEU 78 1HB LEU 78 -2.867 -5.994 6.588 609 HB3 LEU 78 2HB LEU 78 -2.675 -4.416 5.825 610 HG LEU 78 HG LEU 78 -0.352 -6.230 5.641 611 HD11 LEU 78 1HD1 LEU 78 -2.580 -6.750 3.738 612 HD12 LEU 78 2HD1 LEU 78 -2.592 -7.560 5.305 613 HD13 LEU 78 3HD1 LEU 78 -1.229 -7.782 4.208 614 HD21 LEU 78 1HD2 LEU 78 -1.815 -4.529 3.624 615 HD22 LEU 78 2HD2 LEU 78 -0.244 -5.301 3.405 616 HD23 LEU 78 3HD2 LEU 78 -0.435 -4.007 4.589 617 H TYR 79 H TYR 79 -0.820 -2.283 7.635 618 HA TYR 79 HA TYR 79 -3.275 -1.561 9.100 619 HB2 TYR 79 1HB TYR 79 -0.499 -0.387 9.331 620 HB3 TYR 79 2HB TYR 79 -1.929 0.317 10.075 621 HD1 TYR 79 2HD TYR 79 0.200 -2.720 10.028 622 HD2 TYR 79 1HD TYR 79 -2.714 -0.464 12.152 623 HE1 TYR 79 2HE TYR 79 0.519 -4.168 11.991 624 HE2 TYR 79 1HE TYR 79 -2.403 -1.904 14.122 625 HH TYR 79 HH TYR 79 -0.017 -3.596 14.803 626 H PHE 80 H PHE 80 -4.356 0.303 8.510 627 HA PHE 80 HA PHE 80 -4.001 1.128 5.783 628 HB2 PHE 80 1HB PHE 80 -6.086 1.237 7.756 629 HB3 PHE 80 2HB PHE 80 -5.854 2.837 7.059 630 HD1 PHE 80 2HD PHE 80 -6.299 3.253 4.718 631 HD2 PHE 80 1HD PHE 80 -6.867 -0.609 6.413 632 HE1 PHE 80 2HE PHE 80 -7.599 2.580 2.741 633 HE2 PHE 80 1HE PHE 80 -8.168 -1.289 4.439 634 HZ PHE 80 HZ PHE 80 -8.537 0.307 2.600 635 H ALA 81 H ALA 81 -2.318 2.419 5.350 636 HA ALA 81 HA ALA 81 -0.941 4.124 6.970 637 HB1 ALA 81 1HB ALA 81 -1.108 3.650 4.183 638 HB2 ALA 81 2HB ALA 81 -1.114 5.397 4.435 639 HB3 ALA 81 3HB ALA 81 0.197 4.416 5.090 640 H GLN 82 H GLN 82 -1.681 5.673 8.262 641 HA GLN 82 HA GLN 82 -4.135 7.025 7.882 642 HB2 GLN 82 1HB GLN 82 -2.398 6.688 9.980 643 HB3 GLN 82 2HB GLN 82 -2.175 8.388 9.587 644 HG2 GLN 82 1HG GLN 82 -4.923 8.039 9.562 645 HG3 GLN 82 2HG GLN 82 -4.369 7.067 10.924 646 HE21 GLN 82 2HE2 GLN 82 -5.597 9.928 10.252 647 HE22 GLN 82 1HE2 GLN 82 -4.826 10.916 11.442 648 H THR 83 H THR 83 -4.472 8.385 6.249 649 HA THR 83 HA THR 83 -4.143 10.008 4.674 650 HB THR 83 HB THR 83 -3.305 12.139 5.507 651 HG1 THR 83 1HG THR 83 -1.608 10.920 6.836 652 HG21 THR 83 1HG2 THR 83 -4.731 12.314 7.589 653 HG22 THR 83 2HG2 THR 83 -5.016 10.580 7.436 654 HG23 THR 83 3HG2 THR 83 -5.541 11.676 6.159 655 H LEU 84 H LEU 84 -2.200 11.727 3.999 656 HA LEU 84 HA LEU 84 -0.014 9.938 3.218 657 HB2 LEU 84 1HB LEU 84 -0.928 12.588 2.112 658 HB3 LEU 84 2HB LEU 84 0.486 11.709 1.536 659 HG LEU 84 HG LEU 84 -2.185 10.372 1.503 660 HD11 LEU 84 1HD1 LEU 84 -1.796 11.453 -1.040 661 HD12 LEU 84 2HD1 LEU 84 -1.539 12.791 0.081 662 HD13 LEU 84 3HD1 LEU 84 -3.050 11.881 0.125 663 HD21 LEU 84 1HD2 LEU 84 -1.244 9.063 -0.195 664 HD22 LEU 84 2HD2 LEU 84 0.057 9.263 0.980 665 HD23 LEU 84 3HD2 LEU 84 0.048 10.225 -0.499 666 H HIS 85 H HIS 85 -0.376 13.386 4.074 667 HA HIS 85 HA HIS 85 2.001 13.164 5.766 668 HB2 HIS 85 1HB HIS 85 2.875 15.310 4.817 669 HB3 HIS 85 2HB HIS 85 2.915 13.960 3.687 670 HD1 HIS 85 1HD HIS 85 2.650 15.132 1.498 671 HD2 HIS 85 2HD HIS 85 -0.190 16.326 4.286 672 HE1 HIS 85 1HE HIS 85 1.045 16.600 0.236 673 H ILE 86 H ILE 86 2.302 15.164 7.114 674 HA ILE 86 HA ILE 86 0.173 15.677 8.728 675 HB ILE 86 HB ILE 86 2.476 16.362 9.259 676 HG12 ILE 86 1HG1 ILE 86 1.746 18.820 10.007 677 HG13 ILE 86 2HG1 ILE 86 0.163 18.221 9.524 678 HG21 ILE 86 1HG2 ILE 86 3.517 18.258 8.317 679 HG22 ILE 86 2HG2 ILE 86 2.883 17.333 6.957 680 HG23 ILE 86 3HG2 ILE 86 2.031 18.772 7.517 681 HD11 ILE 86 1HD1 ILE 86 1.622 16.352 11.207 682 HD12 ILE 86 2HD1 ILE 86 1.320 17.907 11.983 683 HD13 ILE 86 3HD1 ILE 86 -0.027 16.962 11.346 684 H GLY 87 H GLY 87 -1.593 16.958 8.743 685 HA2 GLY 87 1HA GLY 87 -2.037 18.622 6.347 686 HA3 GLY 87 2HA GLY 87 -3.312 17.832 7.265 687 H SER 88 H SER 88 -4.478 19.175 8.447 688 HA SER 88 HA SER 88 -5.095 20.915 9.777 689 HB2 SER 88 1HB SER 88 -3.161 20.080 11.167 690 HB3 SER 88 2HB SER 88 -2.153 21.288 10.371 691 HG SER 88 HG SER 88 -4.562 22.027 11.631 692 H SER 89 H SER 89 -5.531 23.060 9.495 693 HA SER 89 HA SER 89 -4.642 24.267 7.074 694 HB2 SER 89 1HB SER 89 -6.446 25.112 9.318 695 HB3 SER 89 2HB SER 89 -5.940 26.289 8.106 696 HG SER 89 HG SER 89 -7.685 25.467 7.178 697 H HIS 90 H HIS 90 -3.013 25.632 6.717 698 HA HIS 90 HA HIS 90 -1.744 26.946 9.024 699 HB2 HIS 90 1HB HIS 90 -0.498 25.257 6.899 700 HB3 HIS 90 2HB HIS 90 0.417 26.622 7.532 701 HD1 HIS 90 1HD HIS 90 1.801 26.100 9.510 702 HD2 HIS 90 2HD HIS 90 -1.407 23.485 9.140 703 HE1 HIS 90 1HE HIS 90 2.083 24.422 11.362 704 H LEU 91 H LEU 91 0.080 28.506 7.906 705 HA LEU 91 HA LEU 91 -1.196 30.728 7.006 706 HB2 LEU 91 1HB LEU 91 1.287 30.328 7.615 707 HB3 LEU 91 2HB LEU 91 1.495 30.029 5.890 708 HG LEU 91 HG LEU 91 0.251 32.408 5.785 709 HD11 LEU 91 1HD1 LEU 91 0.783 33.840 7.529 710 HD12 LEU 91 2HD1 LEU 91 2.017 32.759 8.176 711 HD13 LEU 91 3HD1 LEU 91 0.309 32.362 8.366 712 HD21 LEU 91 1HD2 LEU 91 2.640 31.464 5.061 713 HD22 LEU 91 2HD2 LEU 91 3.153 32.549 6.353 714 HD23 LEU 91 3HD2 LEU 91 2.229 33.178 4.988 715 H ALA 92 H ALA 92 -2.529 30.993 5.349 716 HA ALA 92 HA ALA 92 -2.870 29.343 3.172 717 HB1 ALA 92 1HB ALA 92 -4.459 30.797 2.538 718 HB2 ALA 92 2HB ALA 92 -4.112 31.574 4.083 719 HB3 ALA 92 3HB ALA 92 -3.366 32.180 2.605 720 HA PRO 93 HA PRO 93 0.569 30.038 0.513 721 HB2 PRO 93 1HB PRO 93 -0.549 29.292 -1.845 722 HB3 PRO 93 2HB PRO 93 -0.091 28.134 -0.591 723 HG2 PRO 93 1HG PRO 93 -2.785 29.277 -1.222 724 HG3 PRO 93 2HG PRO 93 -2.343 27.606 -0.828 725 HD2 PRO 93 1HD PRO 93 -3.432 29.291 0.990 726 HD3 PRO 93 2HD PRO 93 -2.270 28.025 1.437 727 HA PRO 94 HA PRO 94 0.197 33.994 -1.377 728 HB2 PRO 94 1HB PRO 94 2.031 33.802 -3.369 729 HB3 PRO 94 2HB PRO 94 2.475 33.941 -1.664 730 HG2 PRO 94 1HG PRO 94 2.333 31.500 -3.392 731 HG3 PRO 94 2HG PRO 94 3.570 31.963 -2.209 732 HD2 PRO 94 1HD PRO 94 1.625 30.163 -1.654 733 HD3 PRO 94 2HD PRO 94 2.310 31.239 -0.420 734 H ASN 95 H ASN 95 -0.381 35.116 -3.360 735 HA ASN 95 HA ASN 95 -2.582 34.319 -4.649 736 HB2 ASN 95 1HB ASN 95 -1.986 35.788 -6.525 737 HB3 ASN 95 2HB ASN 95 -1.566 36.528 -4.983 738 HD21 ASN 95 2HD2 ASN 95 -0.494 35.795 -8.038 739 HD22 ASN 95 1HD2 ASN 95 1.201 36.017 -7.792 740 HA PRO 96 HA PRO 96 -1.698 30.788 -7.122 741 HB2 PRO 96 1HB PRO 96 -3.732 30.992 -8.910 742 HB3 PRO 96 2HB PRO 96 -3.974 30.484 -7.234 743 HG2 PRO 96 1HG PRO 96 -4.403 33.172 -8.480 744 HG3 PRO 96 2HG PRO 96 -5.423 32.300 -7.320 745 HD2 PRO 96 1HD PRO 96 -3.749 34.294 -6.575 746 HD3 PRO 96 2HD PRO 96 -4.122 32.916 -5.519 747 H ASP 97 H ASP 97 -1.911 30.319 -9.698 748 HA ASP 97 HA ASP 97 -0.724 32.527 -11.201 749 HB2 ASP 97 1HB ASP 97 1.119 31.133 -12.009 750 HB3 ASP 97 2HB ASP 97 1.177 31.285 -10.254 751 H LYS 98 H LYS 98 -0.717 32.173 -13.515 752 HA LYS 98 HA LYS 98 -3.088 31.315 -14.571 753 HB2 LYS 98 1HB LYS 98 -0.676 32.318 -15.582 754 HB3 LYS 98 2HB LYS 98 -0.955 30.822 -16.464 755 HG2 LYS 98 1HG LYS 98 -3.196 32.759 -16.176 756 HG3 LYS 98 2HG LYS 98 -1.906 33.100 -17.331 757 HD2 LYS 98 1HD LYS 98 -2.595 30.397 -17.689 758 HD3 LYS 98 2HD LYS 98 -4.116 31.282 -17.559 759 HE2 LYS 98 1HE LYS 98 -3.792 32.379 -19.506 760 HE3 LYS 98 2HE LYS 98 -2.055 32.533 -19.251 761 HZ1 LYS 98 1HZ LYS 98 -2.091 31.060 -20.967 762 HZ2 LYS 98 2HZ LYS 98 -3.563 30.364 -20.512 763 HZ3 LYS 98 3HZ LYS 98 -2.145 29.963 -19.680 764 H SER 99 H SER 99 -3.930 29.447 -15.386 765 HA SER 99 HA SER 99 -2.420 27.101 -15.891 766 HB2 SER 99 1HB SER 99 -3.329 25.702 -14.051 767 HB3 SER 99 2HB SER 99 -2.263 26.978 -13.464 768 HG SER 99 HG SER 99 -3.869 27.730 -12.356 769 H GLY 100 H GLY 100 -3.796 25.257 -16.482 770 HA2 GLY 100 1HA GLY 100 -6.584 26.025 -17.047 771 HA3 GLY 100 2HA GLY 100 -5.561 25.416 -18.340 772 HA PRO 101 HA PRO 101 -6.592 21.844 -15.184 773 HB2 PRO 101 1HB PRO 101 -9.006 22.158 -13.982 774 HB3 PRO 101 2HB PRO 101 -7.494 22.722 -13.263 775 HG2 PRO 101 1HG PRO 101 -9.561 24.266 -14.781 776 HG3 PRO 101 2HG PRO 101 -8.694 24.715 -13.301 777 HD2 PRO 101 1HD PRO 101 -7.994 25.655 -15.743 778 HD3 PRO 101 2HD PRO 101 -6.806 25.364 -14.454 779 H SER 102 H SER 102 -7.547 20.034 -15.978 780 HA SER 102 HA SER 102 -9.420 20.396 -18.193 781 HB2 SER 102 1HB SER 102 -7.451 18.307 -17.414 782 HB3 SER 102 2HB SER 102 -8.881 17.772 -18.295 783 HG SER 102 HG SER 102 -8.346 19.379 -19.885 784 H SER 103 H SER 103 -10.874 18.238 -18.378 785 HA SER 103 HA SER 103 -12.686 18.433 -16.144 786 HB2 SER 103 1HB SER 103 -14.231 17.214 -17.487 787 HB3 SER 103 2HB SER 103 -13.382 18.299 -18.586 788 HG SER 103 HG SER 103 -13.611 15.716 -18.819 789 H GLY 104 H GLY 104 -13.683 16.394 -15.248 790 HA2 GLY 104 1HA GLY 104 -11.857 14.119 -15.122 791 HA3 GLY 104 2HA GLY 104 -12.147 14.981 -13.619 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -15.041 12.907 6.048 2 HA2 GLY 1 1HA GLY 1 -13.262 14.857 7.030 3 HA3 GLY 1 2HA GLY 1 -12.862 13.175 6.718 4 H SER 2 H SER 2 -11.459 12.754 5.141 5 HA SER 2 HA SER 2 -10.845 14.924 3.244 6 HB2 SER 2 1HB SER 2 -8.583 14.258 3.236 7 HB3 SER 2 2HB SER 2 -9.059 14.148 4.931 8 HG SER 2 HG SER 2 -7.880 12.297 4.037 9 H SER 3 H SER 3 -9.680 13.954 1.215 10 HA SER 3 HA SER 3 -11.112 11.546 0.322 11 HB2 SER 3 1HB SER 3 -12.077 13.838 -0.477 12 HB3 SER 3 2HB SER 3 -10.686 13.845 -1.562 13 HG SER 3 HG SER 3 -12.239 11.529 -1.432 14 H GLY 4 H GLY 4 -10.013 10.223 -1.100 15 HA2 GLY 4 1HA GLY 4 -8.252 9.701 -2.610 16 HA3 GLY 4 2HA GLY 4 -7.352 11.078 -1.992 17 H SER 5 H SER 5 -5.498 9.804 -1.682 18 HA SER 5 HA SER 5 -4.034 8.574 -0.448 19 HB2 SER 5 1HB SER 5 -5.965 9.556 1.433 20 HB3 SER 5 2HB SER 5 -5.486 7.924 1.899 21 HG SER 5 HG SER 5 -3.981 10.262 1.778 22 H SER 6 H SER 6 -3.560 6.562 -0.992 23 HA SER 6 HA SER 6 -5.419 4.406 -0.362 24 HB2 SER 6 1HB SER 6 -5.088 3.442 -2.681 25 HB3 SER 6 2HB SER 6 -6.097 4.887 -2.606 26 HG SER 6 HG SER 6 -3.355 5.219 -3.018 27 H GLY 7 H GLY 7 -3.346 4.615 1.140 28 HA2 GLY 7 1HA GLY 7 -1.301 2.806 0.005 29 HA3 GLY 7 2HA GLY 7 -0.929 4.069 1.168 30 H LEU 8 H LEU 8 -0.347 1.263 1.410 31 HA LEU 8 HA LEU 8 -1.791 0.748 3.910 32 HB2 LEU 8 1HB LEU 8 -1.541 -1.048 1.547 33 HB3 LEU 8 2HB LEU 8 -1.525 -1.762 3.159 34 HG LEU 8 HG LEU 8 -3.748 -0.040 2.063 35 HD11 LEU 8 1HD1 LEU 8 -3.213 -2.944 1.926 36 HD12 LEU 8 2HD1 LEU 8 -4.118 -1.901 0.831 37 HD13 LEU 8 3HD1 LEU 8 -4.857 -2.454 2.334 38 HD21 LEU 8 1HD2 LEU 8 -4.375 0.099 4.189 39 HD22 LEU 8 2HD2 LEU 8 -3.087 -0.992 4.701 40 HD23 LEU 8 3HD2 LEU 8 -4.636 -1.645 4.165 41 H ILE 9 H ILE 9 -0.542 0.023 5.551 42 HA ILE 9 HA ILE 9 2.317 -0.333 4.971 43 HB ILE 9 HB ILE 9 1.072 0.190 7.668 44 HG12 ILE 9 1HG1 ILE 9 0.755 1.979 5.785 45 HG13 ILE 9 2HG1 ILE 9 1.302 2.481 7.381 46 HG21 ILE 9 1HG2 ILE 9 3.857 0.070 6.600 47 HG22 ILE 9 2HG2 ILE 9 3.492 1.111 7.975 48 HG23 ILE 9 3HG2 ILE 9 3.189 -0.624 8.077 49 HD11 ILE 9 1HD1 ILE 9 3.252 1.857 5.200 50 HD12 ILE 9 2HD1 ILE 9 2.489 3.441 5.334 51 HD13 ILE 9 3HD1 ILE 9 3.483 2.826 6.655 52 H ALA 10 H ALA 10 2.539 -2.477 4.530 53 HA ALA 10 HA ALA 10 1.307 -4.463 6.261 54 HB1 ALA 10 1HB ALA 10 1.933 -4.436 3.585 55 HB2 ALA 10 2HB ALA 10 3.193 -5.459 4.278 56 HB3 ALA 10 3HB ALA 10 1.494 -5.860 4.529 57 H CYS 11 H CYS 11 2.288 -5.408 7.926 58 HA CYS 11 HA CYS 11 5.168 -4.947 8.284 59 HB2 CYS 11 1HB CYS 11 3.383 -4.194 10.016 60 HB3 CYS 11 2HB CYS 11 3.319 -5.898 10.453 61 HG CYS 11 HG CYS 11 5.432 -3.613 11.437 62 H VAL 12 H VAL 12 6.331 -6.609 7.563 63 HA VAL 12 HA VAL 12 5.311 -9.337 7.927 64 HB VAL 12 HB VAL 12 7.808 -8.853 6.395 65 HG11 VAL 12 1HG1 VAL 12 6.852 -11.098 6.689 66 HG12 VAL 12 2HG1 VAL 12 5.379 -10.566 5.876 67 HG13 VAL 12 3HG1 VAL 12 6.906 -10.617 4.994 68 HG21 VAL 12 1HG2 VAL 12 6.490 -8.269 4.369 69 HG22 VAL 12 2HG2 VAL 12 5.078 -8.040 5.402 70 HG23 VAL 12 3HG2 VAL 12 6.494 -7.006 5.600 71 H ALA 13 H ALA 13 6.522 -10.933 8.934 72 HA ALA 13 HA ALA 13 8.568 -9.928 10.772 73 HB1 ALA 13 1HB ALA 13 6.778 -12.331 10.794 74 HB2 ALA 13 2HB ALA 13 8.203 -12.244 11.831 75 HB3 ALA 13 3HB ALA 13 6.924 -11.040 11.988 76 H ASN 14 H ASN 14 8.190 -11.871 7.972 77 HA ASN 14 HA ASN 14 10.546 -13.466 8.329 78 HB2 ASN 14 1HB ASN 14 8.415 -13.210 6.359 79 HB3 ASN 14 2HB ASN 14 9.990 -13.437 5.606 80 HD21 ASN 14 2HD2 ASN 14 8.054 -15.325 5.329 81 HD22 ASN 14 1HD2 ASN 14 8.483 -16.745 6.216 82 H ASP 15 H ASP 15 12.392 -12.323 8.556 83 HA ASP 15 HA ASP 15 13.032 -9.907 7.318 84 HB2 ASP 15 1HB ASP 15 14.323 -10.585 9.199 85 HB3 ASP 15 2HB ASP 15 14.770 -12.106 8.433 86 H ASP 16 H ASP 16 12.764 -12.986 5.964 87 HA ASP 16 HA ASP 16 14.731 -12.685 3.894 88 HB2 ASP 16 1HB ASP 16 12.656 -14.684 4.613 89 HB3 ASP 16 2HB ASP 16 13.143 -14.620 2.922 90 H VAL 17 H VAL 17 11.389 -11.851 4.327 91 HA VAL 17 HA VAL 17 10.619 -11.582 1.636 92 HB VAL 17 HB VAL 17 9.637 -10.232 4.144 93 HG11 VAL 17 1HG1 VAL 17 9.047 -8.623 2.593 94 HG12 VAL 17 2HG1 VAL 17 8.824 -9.802 1.299 95 HG13 VAL 17 3HG1 VAL 17 7.630 -9.673 2.592 96 HG21 VAL 17 1HG2 VAL 17 7.578 -11.669 3.328 97 HG22 VAL 17 2HG2 VAL 17 8.843 -12.592 2.517 98 HG23 VAL 17 3HG2 VAL 17 8.886 -12.388 4.268 99 H PHE 18 H PHE 18 12.701 -9.695 3.597 100 HA PHE 18 HA PHE 18 12.434 -7.302 1.972 101 HB2 PHE 18 1HB PHE 18 14.268 -7.954 4.288 102 HB3 PHE 18 2HB PHE 18 14.196 -6.393 3.478 103 HD1 PHE 18 1HD PHE 18 12.347 -8.756 5.607 104 HD2 PHE 18 2HD PHE 18 12.455 -4.843 3.934 105 HE1 PHE 18 1HE PHE 18 10.533 -8.064 7.118 106 HE2 PHE 18 2HE PHE 18 10.642 -4.144 5.444 107 HZ PHE 18 HZ PHE 18 9.679 -5.755 7.039 108 H SER 19 H SER 19 13.236 -9.586 0.536 109 HA SER 19 HA SER 19 15.877 -8.695 -0.373 110 HB2 SER 19 1HB SER 19 15.730 -10.922 1.124 111 HB3 SER 19 2HB SER 19 15.380 -11.623 -0.455 112 HG SER 19 HG SER 19 17.659 -10.102 0.279 113 H GLU 20 H GLU 20 15.596 -8.046 -2.396 114 HA GLU 20 HA GLU 20 13.413 -8.678 -4.022 115 HB2 GLU 20 1HB GLU 20 14.581 -7.564 -5.798 116 HB3 GLU 20 2HB GLU 20 14.915 -6.703 -4.301 117 HG2 GLU 20 1HG GLU 20 17.081 -6.911 -4.661 118 HG3 GLU 20 2HG GLU 20 16.925 -8.666 -4.621 119 H SER 21 H SER 21 16.084 -10.562 -3.211 120 HA SER 21 HA SER 21 16.884 -11.980 -5.354 121 HB2 SER 21 1HB SER 21 17.072 -12.377 -2.676 122 HB3 SER 21 2HB SER 21 16.019 -13.720 -3.123 123 HG SER 21 HG SER 21 18.561 -13.754 -3.286 124 H GLU 22 H GLU 22 14.063 -13.054 -3.448 125 HA GLU 22 HA GLU 22 12.485 -13.511 -5.793 126 HB2 GLU 22 1HB GLU 22 14.152 -15.649 -4.803 127 HB3 GLU 22 2HB GLU 22 12.455 -16.080 -4.655 128 HG2 GLU 22 1HG GLU 22 12.163 -16.245 -6.876 129 HG3 GLU 22 2HG GLU 22 13.231 -14.888 -7.226 130 H THR 23 H THR 23 12.814 -14.839 -2.497 131 HA THR 23 HA THR 23 10.274 -15.275 -1.765 132 HB THR 23 HB THR 23 12.387 -13.881 -0.118 133 HG1 THR 23 1HG THR 23 12.390 -16.251 -0.968 134 HG21 THR 23 1HG2 THR 23 10.502 -15.273 1.499 135 HG22 THR 23 2HG2 THR 23 9.619 -14.151 0.462 136 HG23 THR 23 3HG2 THR 23 10.906 -13.557 1.512 137 H ARG 24 H ARG 24 11.763 -12.085 -2.038 138 HA ARG 24 HA ARG 24 9.734 -10.540 -0.922 139 HB2 ARG 24 1HB ARG 24 11.762 -9.442 -1.393 140 HB3 ARG 24 2HB ARG 24 11.768 -9.983 -3.065 141 HG2 ARG 24 1HG ARG 24 10.080 -8.449 -3.672 142 HG3 ARG 24 2HG ARG 24 9.705 -8.088 -1.985 143 HD2 ARG 24 1HD ARG 24 11.074 -6.340 -2.192 144 HD3 ARG 24 2HD ARG 24 12.396 -7.508 -2.190 145 HE ARG 24 HE ARG 24 11.621 -7.415 -4.790 146 HH11 ARG 24 2HH1 ARG 24 12.567 -5.012 -2.456 147 HH12 ARG 24 1HH1 ARG 24 13.238 -3.938 -3.639 148 HH21 ARG 24 2HH2 ARG 24 12.501 -6.010 -6.358 149 HH22 ARG 24 1HH2 ARG 24 13.199 -4.507 -5.858 150 H ALA 25 H ALA 25 10.192 -11.512 -4.315 151 HA ALA 25 HA ALA 25 8.059 -10.240 -5.486 152 HB1 ALA 25 1HB ALA 25 9.144 -12.987 -6.090 153 HB2 ALA 25 2HB ALA 25 8.055 -12.082 -7.142 154 HB3 ALA 25 3HB ALA 25 9.668 -11.458 -6.798 155 H LYS 26 H LYS 26 8.043 -13.418 -3.891 156 HA LYS 26 HA LYS 26 5.442 -14.184 -4.338 157 HB2 LYS 26 1HB LYS 26 7.123 -14.560 -1.857 158 HB3 LYS 26 2HB LYS 26 5.603 -15.395 -2.147 159 HG2 LYS 26 1HG LYS 26 6.487 -16.663 -3.883 160 HG3 LYS 26 2HG LYS 26 7.850 -15.565 -4.117 161 HD2 LYS 26 1HD LYS 26 8.453 -16.264 -1.671 162 HD3 LYS 26 2HD LYS 26 7.431 -17.658 -2.026 163 HE2 LYS 26 1HE LYS 26 8.853 -17.882 -4.161 164 HE3 LYS 26 2HE LYS 26 9.987 -16.805 -3.347 165 HZ1 LYS 26 1HZ LYS 26 10.033 -18.405 -1.489 166 HZ2 LYS 26 2HZ LYS 26 10.611 -19.063 -2.935 167 HZ3 LYS 26 3HZ LYS 26 9.061 -19.458 -2.389 168 H PHE 27 H PHE 27 6.642 -11.727 -2.177 169 HA PHE 27 HA PHE 27 4.050 -11.398 -0.896 170 HB2 PHE 27 1HB PHE 27 5.767 -11.098 0.657 171 HB3 PHE 27 2HB PHE 27 6.773 -10.207 -0.481 172 HD1 PHE 27 1HD PHE 27 5.755 -7.920 -1.290 173 HD2 PHE 27 2HD PHE 27 4.662 -9.932 2.297 174 HE1 PHE 27 1HE PHE 27 4.939 -5.796 -0.351 175 HE2 PHE 27 2HE PHE 27 3.844 -7.813 3.241 176 HZ PHE 27 HZ PHE 27 3.981 -5.741 1.917 177 H GLU 28 H GLU 28 5.978 -9.969 -3.401 178 HA GLU 28 HA GLU 28 4.591 -7.478 -3.520 179 HB2 GLU 28 1HB GLU 28 6.735 -8.808 -4.977 180 HB3 GLU 28 2HB GLU 28 5.666 -7.905 -6.040 181 HG2 GLU 28 1HG GLU 28 5.996 -5.918 -4.587 182 HG3 GLU 28 2HG GLU 28 7.187 -6.843 -3.674 183 H SER 29 H SER 29 4.385 -10.509 -5.350 184 HA SER 29 HA SER 29 2.433 -9.702 -7.188 185 HB2 SER 29 1HB SER 29 3.791 -11.789 -7.362 186 HB3 SER 29 2HB SER 29 2.824 -12.486 -6.064 187 HG SER 29 HG SER 29 2.039 -11.790 -8.681 188 H LEU 30 H LEU 30 2.193 -10.733 -3.868 189 HA LEU 30 HA LEU 30 -0.452 -11.496 -3.676 190 HB2 LEU 30 1HB LEU 30 1.380 -10.070 -1.782 191 HB3 LEU 30 2HB LEU 30 -0.289 -10.415 -1.336 192 HG LEU 30 HG LEU 30 1.831 -12.450 -2.025 193 HD11 LEU 30 1HD1 LEU 30 1.350 -11.075 0.356 194 HD12 LEU 30 2HD1 LEU 30 2.327 -12.526 0.135 195 HD13 LEU 30 3HD1 LEU 30 0.625 -12.668 0.578 196 HD21 LEU 30 1HD2 LEU 30 -0.065 -13.534 -2.706 197 HD22 LEU 30 2HD2 LEU 30 -1.110 -12.640 -1.600 198 HD23 LEU 30 3HD2 LEU 30 -0.079 -13.935 -0.988 199 H PHE 31 H PHE 31 0.913 -8.246 -3.774 200 HA PHE 31 HA PHE 31 -1.774 -7.094 -3.629 201 HB2 PHE 31 1HB PHE 31 0.839 -5.587 -3.715 202 HB3 PHE 31 2HB PHE 31 -0.732 -4.995 -3.186 203 HD1 PHE 31 1HD PHE 31 1.917 -7.456 -2.345 204 HD2 PHE 31 2HD PHE 31 -1.325 -5.081 -0.942 205 HE1 PHE 31 1HE PHE 31 2.473 -8.070 -0.028 206 HE2 PHE 31 2HE PHE 31 -0.772 -5.690 1.377 207 HZ PHE 31 HZ PHE 31 1.129 -7.187 1.837 208 H ARG 32 H ARG 32 1.100 -7.135 -5.699 209 HA ARG 32 HA ARG 32 0.280 -5.426 -7.705 210 HB2 ARG 32 1HB ARG 32 2.447 -7.009 -7.322 211 HB3 ARG 32 2HB ARG 32 1.642 -7.880 -8.621 212 HG2 ARG 32 1HG ARG 32 2.094 -4.935 -8.840 213 HG3 ARG 32 2HG ARG 32 3.398 -6.071 -9.192 214 HD2 ARG 32 1HD ARG 32 1.687 -7.234 -10.720 215 HD3 ARG 32 2HD ARG 32 0.760 -5.740 -10.579 216 HE ARG 32 HE ARG 32 2.201 -4.794 -12.064 217 HH11 ARG 32 2HH1 ARG 32 3.799 -7.492 -10.549 218 HH12 ARG 32 1HH1 ARG 32 5.229 -7.357 -11.518 219 HH21 ARG 32 2HH2 ARG 32 4.078 -4.607 -13.347 220 HH22 ARG 32 1HH2 ARG 32 5.386 -5.715 -13.109 221 H THR 33 H THR 33 -0.443 -8.868 -7.308 222 HA THR 33 HA THR 33 -1.644 -9.528 -9.648 223 HB THR 33 HB THR 33 -1.435 -10.945 -7.524 224 HG1 THR 33 1HG THR 33 -3.078 -12.296 -8.279 225 HG21 THR 33 1HG2 THR 33 -3.335 -11.049 -6.058 226 HG22 THR 33 2HG2 THR 33 -4.205 -9.857 -7.023 227 HG23 THR 33 3HG2 THR 33 -2.774 -9.379 -6.111 228 H TYR 34 H TYR 34 -2.896 -7.374 -7.199 229 HA TYR 34 HA TYR 34 -5.524 -7.225 -8.383 230 HB2 TYR 34 1HB TYR 34 -4.433 -5.285 -6.362 231 HB3 TYR 34 2HB TYR 34 -6.098 -5.799 -6.606 232 HD1 TYR 34 2HD TYR 34 -6.041 -8.655 -6.542 233 HD2 TYR 34 1HD TYR 34 -3.730 -5.909 -4.255 234 HE1 TYR 34 2HE TYR 34 -5.779 -10.351 -4.779 235 HE2 TYR 34 1HE TYR 34 -3.462 -7.598 -2.487 236 HH TYR 34 HH TYR 34 -4.446 -10.899 -2.935 237 H ASP 35 H ASP 35 -3.161 -4.655 -7.668 238 HA ASP 35 HA ASP 35 -4.042 -3.283 -10.114 239 HB2 ASP 35 1HB ASP 35 -3.522 -2.380 -7.447 240 HB3 ASP 35 2HB ASP 35 -2.392 -1.589 -8.543 241 H LYS 36 H LYS 36 -2.605 -2.653 -11.669 242 HA LYS 36 HA LYS 36 0.005 -3.946 -11.581 243 HB2 LYS 36 1HB LYS 36 0.113 -3.391 -13.983 244 HB3 LYS 36 2HB LYS 36 -1.341 -4.294 -13.576 245 HG2 LYS 36 1HG LYS 36 -2.676 -2.654 -14.268 246 HG3 LYS 36 2HG LYS 36 -1.734 -1.418 -13.433 247 HD2 LYS 36 1HD LYS 36 -0.783 -2.683 -15.987 248 HD3 LYS 36 2HD LYS 36 -1.865 -1.288 -15.986 249 HE2 LYS 36 1HE LYS 36 -0.192 -0.100 -14.557 250 HE3 LYS 36 2HE LYS 36 0.902 -1.461 -14.803 251 HZ1 LYS 36 1HZ LYS 36 1.442 -0.731 -16.818 252 HZ2 LYS 36 2HZ LYS 36 0.697 0.729 -16.402 253 HZ3 LYS 36 3HZ LYS 36 -0.166 -0.446 -17.258 254 H ASP 37 H ASP 37 -1.189 -1.053 -10.640 255 HA ASP 37 HA ASP 37 1.320 0.355 -11.285 256 HB2 ASP 37 1HB ASP 37 -1.385 1.152 -11.729 257 HB3 ASP 37 2HB ASP 37 -0.687 2.220 -10.515 258 H THR 38 H THR 38 0.652 -1.413 -9.006 259 HA THR 38 HA THR 38 0.476 0.384 -6.732 260 HB THR 38 HB THR 38 1.020 -2.013 -5.603 261 HG1 THR 38 1HG THR 38 -0.480 -2.683 -7.923 262 HG21 THR 38 1HG2 THR 38 -1.435 -2.312 -5.419 263 HG22 THR 38 2HG2 THR 38 -1.651 -1.055 -6.637 264 HG23 THR 38 3HG2 THR 38 -0.917 -0.660 -5.083 265 H THR 39 H THR 39 2.170 1.236 -5.727 266 HA THR 39 HA THR 39 4.847 0.264 -6.400 267 HB THR 39 HB THR 39 5.706 2.349 -5.724 268 HG1 THR 39 1HG THR 39 4.171 3.880 -4.647 269 HG21 THR 39 1HG2 THR 39 4.745 3.742 -7.253 270 HG22 THR 39 2HG2 THR 39 3.106 3.397 -6.700 271 HG23 THR 39 3HG2 THR 39 3.951 2.241 -7.728 272 H PHE 40 H PHE 40 6.260 -0.536 -4.920 273 HA PHE 40 HA PHE 40 5.227 -0.910 -2.187 274 HB2 PHE 40 1HB PHE 40 7.198 -2.649 -3.685 275 HB3 PHE 40 2HB PHE 40 6.551 -2.958 -2.078 276 HD1 PHE 40 1HD PHE 40 5.313 -2.290 -5.535 277 HD2 PHE 40 2HD PHE 40 4.827 -4.458 -1.905 278 HE1 PHE 40 1HE PHE 40 3.443 -3.539 -6.535 279 HE2 PHE 40 2HE PHE 40 2.958 -5.711 -2.899 280 HZ PHE 40 HZ PHE 40 2.264 -5.252 -5.216 281 H GLN 41 H GLN 41 6.406 -0.212 -0.503 282 HA GLN 41 HA GLN 41 9.133 0.762 -1.049 283 HB2 GLN 41 1HB GLN 41 6.818 2.135 0.097 284 HB3 GLN 41 2HB GLN 41 8.261 2.260 1.093 285 HG2 GLN 41 1HG GLN 41 9.323 2.837 -1.295 286 HG3 GLN 41 2HG GLN 41 7.677 3.410 -1.557 287 HE21 GLN 41 2HE2 GLN 41 6.823 4.955 -0.015 288 HE22 GLN 41 1HE2 GLN 41 7.901 6.067 0.752 289 H TYR 42 H TYR 42 10.481 -0.617 -0.091 290 HA TYR 42 HA TYR 42 9.730 -1.884 2.427 291 HB2 TYR 42 1HB TYR 42 12.028 -2.339 0.520 292 HB3 TYR 42 2HB TYR 42 11.869 -3.180 2.058 293 HD1 TYR 42 1HD TYR 42 9.960 -2.513 -1.080 294 HD2 TYR 42 2HD TYR 42 10.738 -5.202 2.124 295 HE1 TYR 42 1HE TYR 42 8.534 -4.201 -2.160 296 HE2 TYR 42 2HE TYR 42 9.315 -6.899 1.053 297 HH TYR 42 HH TYR 42 7.216 -6.193 -1.495 298 H PHE 43 H PHE 43 10.534 -1.326 4.351 299 HA PHE 43 HA PHE 43 12.751 0.615 4.406 300 HB2 PHE 43 1HB PHE 43 10.459 0.347 6.362 301 HB3 PHE 43 2HB PHE 43 11.772 1.514 6.474 302 HD1 PHE 43 2HD PHE 43 12.077 2.740 3.994 303 HD2 PHE 43 1HD PHE 43 8.476 1.298 5.748 304 HE1 PHE 43 2HE PHE 43 10.782 4.327 2.631 305 HE2 PHE 43 1HE PHE 43 7.175 2.883 4.386 306 HZ PHE 43 HZ PHE 43 8.328 4.400 2.827 307 H LYS 44 H LYS 44 14.456 -0.736 4.746 308 HA LYS 44 HA LYS 44 14.432 -2.974 6.467 309 HB2 LYS 44 1HB LYS 44 16.119 -2.172 4.569 310 HB3 LYS 44 2HB LYS 44 16.981 -1.518 5.956 311 HG2 LYS 44 1HG LYS 44 17.895 -3.514 6.234 312 HG3 LYS 44 2HG LYS 44 16.300 -4.125 6.682 313 HD2 LYS 44 1HD LYS 44 16.829 -5.547 4.960 314 HD3 LYS 44 2HD LYS 44 15.981 -4.275 4.077 315 HE2 LYS 44 1HE LYS 44 18.954 -4.178 4.456 316 HE3 LYS 44 2HE LYS 44 18.236 -5.136 3.162 317 HZ1 LYS 44 1HZ LYS 44 16.976 -2.883 2.735 318 HZ2 LYS 44 2HZ LYS 44 18.510 -3.173 2.086 319 HZ3 LYS 44 3HZ LYS 44 18.348 -2.233 3.484 320 H SER 45 H SER 45 14.407 0.312 7.151 321 HA SER 45 HA SER 45 15.950 0.198 9.587 322 HB2 SER 45 1HB SER 45 14.218 2.330 8.333 323 HB3 SER 45 2HB SER 45 14.984 2.535 9.908 324 HG SER 45 HG SER 45 16.190 3.340 8.041 325 H PHE 46 H PHE 46 12.530 0.313 8.693 326 HA PHE 46 HA PHE 46 11.851 -0.311 11.492 327 HB2 PHE 46 1HB PHE 46 10.011 0.930 9.442 328 HB3 PHE 46 2HB PHE 46 9.726 0.761 11.172 329 HD1 PHE 46 2HD PHE 46 11.738 1.851 12.623 330 HD2 PHE 46 1HD PHE 46 10.530 3.031 8.716 331 HE1 PHE 46 2HE PHE 46 12.706 4.081 13.003 332 HE2 PHE 46 1HE PHE 46 11.497 5.264 9.088 333 HZ PHE 46 HZ PHE 46 12.586 5.790 11.234 334 H LYS 47 H LYS 47 12.519 -2.005 9.015 335 HA LYS 47 HA LYS 47 11.688 -3.829 7.878 336 HB2 LYS 47 1HB LYS 47 11.029 -4.279 10.779 337 HB3 LYS 47 2HB LYS 47 10.698 -5.510 9.567 338 HG2 LYS 47 1HG LYS 47 13.418 -4.297 9.976 339 HG3 LYS 47 2HG LYS 47 12.865 -5.752 10.809 340 HD2 LYS 47 1HD LYS 47 13.066 -7.036 8.966 341 HD3 LYS 47 2HD LYS 47 12.485 -5.761 7.892 342 HE2 LYS 47 1HE LYS 47 14.695 -4.645 8.122 343 HE3 LYS 47 2HE LYS 47 15.253 -6.029 9.060 344 HZ1 LYS 47 1HZ LYS 47 14.875 -7.449 7.162 345 HZ2 LYS 47 2HZ LYS 47 15.897 -6.176 6.724 346 HZ3 LYS 47 3HZ LYS 47 14.271 -6.151 6.259 347 H ARG 48 H ARG 48 9.966 -1.769 7.409 348 HA ARG 48 HA ARG 48 7.320 -3.051 7.613 349 HB2 ARG 48 1HB ARG 48 8.177 -0.237 7.991 350 HB3 ARG 48 2HB ARG 48 6.662 -0.487 7.134 351 HG2 ARG 48 1HG ARG 48 5.813 -1.794 9.019 352 HG3 ARG 48 2HG ARG 48 7.331 -1.529 9.879 353 HD2 ARG 48 1HD ARG 48 6.916 0.754 10.146 354 HD3 ARG 48 2HD ARG 48 5.693 0.773 8.876 355 HE ARG 48 HE ARG 48 4.127 0.101 10.413 356 HH11 ARG 48 2HH1 ARG 48 7.315 -0.319 11.747 357 HH12 ARG 48 1HH1 ARG 48 6.743 -0.676 13.343 358 HH21 ARG 48 2HH2 ARG 48 3.361 -0.368 12.509 359 HH22 ARG 48 1HH2 ARG 48 4.493 -0.705 13.776 360 H VAL 49 H VAL 49 5.817 -2.404 5.823 361 HA VAL 49 HA VAL 49 7.219 -1.866 3.300 362 HB VAL 49 HB VAL 49 5.162 -4.057 3.582 363 HG11 VAL 49 1HG1 VAL 49 5.510 -2.824 1.369 364 HG12 VAL 49 2HG1 VAL 49 7.084 -3.623 1.316 365 HG13 VAL 49 3HG1 VAL 49 5.604 -4.585 1.344 366 HG21 VAL 49 1HG2 VAL 49 8.164 -4.299 3.384 367 HG22 VAL 49 2HG2 VAL 49 7.186 -4.667 4.805 368 HG23 VAL 49 3HG2 VAL 49 7.016 -5.638 3.342 369 H ARG 50 H ARG 50 6.294 -0.170 2.377 370 HA ARG 50 HA ARG 50 3.461 0.379 2.913 371 HB2 ARG 50 1HB ARG 50 4.704 2.276 3.484 372 HB3 ARG 50 2HB ARG 50 5.784 2.100 2.108 373 HG2 ARG 50 1HG ARG 50 4.528 3.444 0.876 374 HG3 ARG 50 2HG ARG 50 3.086 2.482 1.205 375 HD2 ARG 50 1HD ARG 50 2.355 3.900 2.786 376 HD3 ARG 50 2HD ARG 50 3.969 4.139 3.453 377 HE ARG 50 HE ARG 50 2.628 5.798 1.541 378 HH11 ARG 50 2HH1 ARG 50 5.736 4.740 2.697 379 HH12 ARG 50 1HH1 ARG 50 6.569 6.155 2.146 380 HH21 ARG 50 2HH2 ARG 50 3.714 7.667 0.810 381 HH22 ARG 50 1HH2 ARG 50 5.418 7.820 1.073 382 H ILE 51 H ILE 51 2.142 -0.440 1.425 383 HA ILE 51 HA ILE 51 3.007 -0.465 -1.384 384 HB ILE 51 HB ILE 51 0.692 -1.963 -0.156 385 HG12 ILE 51 1HG1 ILE 51 2.919 -3.589 -1.046 386 HG13 ILE 51 2HG1 ILE 51 3.428 -2.449 0.195 387 HG21 ILE 51 1HG2 ILE 51 0.584 -3.166 -2.204 388 HG22 ILE 51 2HG2 ILE 51 0.618 -1.451 -2.610 389 HG23 ILE 51 3HG2 ILE 51 2.075 -2.429 -2.789 390 HD11 ILE 51 1HD1 ILE 51 2.060 -4.901 0.503 391 HD12 ILE 51 2HD1 ILE 51 2.567 -3.758 1.748 392 HD13 ILE 51 3HD1 ILE 51 0.972 -3.609 1.011 393 H ASN 52 H ASN 52 2.412 1.393 -2.330 394 HA ASN 52 HA ASN 52 -0.167 2.595 -1.697 395 HB2 ASN 52 1HB ASN 52 2.150 3.544 -3.392 396 HB3 ASN 52 2HB ASN 52 0.649 4.443 -3.193 397 HD21 ASN 52 2HD2 ASN 52 1.026 6.102 -1.917 398 HD22 ASN 52 1HD2 ASN 52 1.907 6.062 -0.431 399 H PHE 53 H PHE 53 -1.895 2.590 -3.015 400 HA PHE 53 HA PHE 53 -1.628 1.157 -5.569 401 HB2 PHE 53 1HB PHE 53 -4.154 1.638 -3.980 402 HB3 PHE 53 2HB PHE 53 -3.961 0.574 -5.369 403 HD1 PHE 53 2HD PHE 53 -2.589 1.101 -1.944 404 HD2 PHE 53 1HD PHE 53 -3.626 -1.670 -5.002 405 HE1 PHE 53 2HE PHE 53 -2.050 -0.764 -0.432 406 HE2 PHE 53 1HE PHE 53 -3.090 -3.540 -3.495 407 HZ PHE 53 HZ PHE 53 -2.299 -3.088 -1.207 408 H SER 54 H SER 54 -3.770 1.855 -6.960 409 HA SER 54 HA SER 54 -3.400 4.741 -7.388 410 HB2 SER 54 1HB SER 54 -2.803 3.759 -9.398 411 HB3 SER 54 2HB SER 54 -3.962 2.441 -9.219 412 HG SER 54 HG SER 54 -4.491 4.100 -10.821 413 H ASN 55 H ASN 55 -5.554 2.582 -6.090 414 HA ASN 55 HA ASN 55 -7.687 4.552 -6.150 415 HB2 ASN 55 1HB ASN 55 -9.389 2.844 -6.795 416 HB3 ASN 55 2HB ASN 55 -8.257 3.226 -8.089 417 HD21 ASN 55 2HD2 ASN 55 -9.340 1.078 -8.705 418 HD22 ASN 55 1HD2 ASN 55 -8.464 -0.347 -8.267 419 HA PRO 56 HA PRO 56 -8.115 3.206 -1.981 420 HB2 PRO 56 1HB PRO 56 -10.621 4.126 -1.485 421 HB3 PRO 56 2HB PRO 56 -9.214 5.189 -1.612 422 HG2 PRO 56 1HG PRO 56 -11.307 4.562 -3.660 423 HG3 PRO 56 2HG PRO 56 -10.580 6.125 -3.245 424 HD2 PRO 56 1HD PRO 56 -9.809 4.688 -5.406 425 HD3 PRO 56 2HD PRO 56 -8.688 5.720 -4.496 426 H LEU 57 H LEU 57 -9.655 1.797 -4.539 427 HA LEU 57 HA LEU 57 -11.535 0.183 -3.041 428 HB2 LEU 57 1HB LEU 57 -10.665 0.150 -5.923 429 HB3 LEU 57 2HB LEU 57 -11.854 -0.962 -5.246 430 HG LEU 57 HG LEU 57 -12.464 1.868 -4.788 431 HD11 LEU 57 1HD1 LEU 57 -12.901 0.926 -7.581 432 HD12 LEU 57 2HD1 LEU 57 -11.350 1.644 -7.145 433 HD13 LEU 57 3HD1 LEU 57 -12.839 2.567 -6.940 434 HD21 LEU 57 1HD2 LEU 57 -14.085 -0.316 -6.082 435 HD22 LEU 57 2HD2 LEU 57 -14.673 1.159 -5.315 436 HD23 LEU 57 3HD2 LEU 57 -13.941 -0.113 -4.336 437 H SER 58 H SER 58 -8.871 -0.698 -5.245 438 HA SER 58 HA SER 58 -8.563 -3.316 -4.538 439 HB2 SER 58 1HB SER 58 -7.068 -1.425 -5.998 440 HB3 SER 58 2HB SER 58 -5.943 -2.151 -4.850 441 HG SER 58 HG SER 58 -7.250 -3.278 -7.013 442 H ALA 59 H ALA 59 -6.912 -0.551 -3.019 443 HA ALA 59 HA ALA 59 -5.311 -1.682 -1.186 444 HB1 ALA 59 1HB ALA 59 -7.212 0.491 -0.351 445 HB2 ALA 59 2HB ALA 59 -5.548 0.225 0.173 446 HB3 ALA 59 3HB ALA 59 -5.877 0.776 -1.469 447 H ALA 60 H ALA 60 -8.828 -1.601 -1.024 448 HA ALA 60 HA ALA 60 -9.002 -2.695 1.609 449 HB1 ALA 60 1HB ALA 60 -10.836 -1.793 -0.445 450 HB2 ALA 60 2HB ALA 60 -11.404 -3.260 0.354 451 HB3 ALA 60 3HB ALA 60 -11.029 -1.825 1.308 452 H ASP 61 H ASP 61 -9.909 -4.102 -1.546 453 HA ASP 61 HA ASP 61 -10.334 -6.693 -0.768 454 HB2 ASP 61 1HB ASP 61 -9.902 -5.326 -3.232 455 HB3 ASP 61 2HB ASP 61 -8.938 -6.801 -3.252 456 H ALA 62 H ALA 62 -7.260 -5.091 -1.334 457 HA ALA 62 HA ALA 62 -5.586 -7.334 -1.345 458 HB1 ALA 62 1HB ALA 62 -4.617 -5.325 -2.044 459 HB2 ALA 62 2HB ALA 62 -5.135 -4.464 -0.593 460 HB3 ALA 62 3HB ALA 62 -3.845 -5.664 -0.494 461 H ARG 63 H ARG 63 -6.457 -5.191 1.370 462 HA ARG 63 HA ARG 63 -5.068 -6.434 3.393 463 HB2 ARG 63 1HB ARG 63 -6.523 -4.314 3.465 464 HB3 ARG 63 2HB ARG 63 -7.864 -5.400 3.802 465 HG2 ARG 63 1HG ARG 63 -6.926 -6.091 5.848 466 HG3 ARG 63 2HG ARG 63 -5.361 -5.374 5.457 467 HD2 ARG 63 1HD ARG 63 -6.152 -3.736 6.817 468 HD3 ARG 63 2HD ARG 63 -6.853 -3.178 5.299 469 HE ARG 63 HE ARG 63 -8.947 -3.739 6.081 470 HH11 ARG 63 2HH1 ARG 63 -6.500 -4.991 8.218 471 HH12 ARG 63 1HH1 ARG 63 -7.623 -5.417 9.467 472 HH21 ARG 63 2HH2 ARG 63 -10.435 -4.295 7.718 473 HH22 ARG 63 1HH2 ARG 63 -9.861 -5.021 9.181 474 H LEU 64 H LEU 64 -8.458 -7.092 2.488 475 HA LEU 64 HA LEU 64 -8.919 -9.208 4.215 476 HB2 LEU 64 1HB LEU 64 -10.877 -9.437 3.137 477 HB3 LEU 64 2HB LEU 64 -10.392 -7.923 2.375 478 HG LEU 64 HG LEU 64 -9.385 -9.427 0.536 479 HD11 LEU 64 1HD1 LEU 64 -9.820 -11.622 0.494 480 HD12 LEU 64 2HD1 LEU 64 -11.459 -11.413 1.110 481 HD13 LEU 64 3HD1 LEU 64 -10.093 -11.439 2.226 482 HD21 LEU 64 1HD2 LEU 64 -12.376 -9.517 0.683 483 HD22 LEU 64 2HD2 LEU 64 -11.337 -9.225 -0.711 484 HD23 LEU 64 3HD2 LEU 64 -11.522 -7.982 0.528 485 H ARG 65 H ARG 65 -7.509 -9.242 0.969 486 HA ARG 65 HA ARG 65 -7.253 -12.087 0.868 487 HB2 ARG 65 1HB ARG 65 -6.419 -9.793 -0.824 488 HB3 ARG 65 2HB ARG 65 -5.510 -11.287 -1.003 489 HG2 ARG 65 1HG ARG 65 -8.239 -11.986 -1.010 490 HG3 ARG 65 2HG ARG 65 -8.054 -10.592 -2.077 491 HD2 ARG 65 1HD ARG 65 -6.226 -11.761 -3.245 492 HD3 ARG 65 2HD ARG 65 -6.481 -13.163 -2.207 493 HE ARG 65 HE ARG 65 -8.891 -12.449 -3.500 494 HH11 ARG 65 2HH1 ARG 65 -5.796 -13.922 -4.103 495 HH12 ARG 65 1HH1 ARG 65 -6.370 -14.898 -5.415 496 HH21 ARG 65 2HH2 ARG 65 -9.660 -13.728 -5.225 497 HH22 ARG 65 1HH2 ARG 65 -8.568 -14.786 -6.053 498 H LEU 66 H LEU 66 -5.703 -9.850 2.710 499 HA LEU 66 HA LEU 66 -3.396 -11.620 3.068 500 HB2 LEU 66 1HB LEU 66 -3.090 -8.633 3.084 501 HB3 LEU 66 2HB LEU 66 -1.826 -9.861 3.078 502 HG LEU 66 HG LEU 66 -3.685 -9.526 0.745 503 HD11 LEU 66 1HD1 LEU 66 -1.648 -7.676 1.662 504 HD12 LEU 66 2HD1 LEU 66 -2.850 -7.495 0.384 505 HD13 LEU 66 3HD1 LEU 66 -1.315 -8.294 0.044 506 HD21 LEU 66 1HD2 LEU 66 -2.154 -11.544 1.097 507 HD22 LEU 66 2HD2 LEU 66 -0.823 -10.433 0.772 508 HD23 LEU 66 3HD2 LEU 66 -2.062 -10.709 -0.454 509 H HIS 67 H HIS 67 -2.231 -9.592 4.910 510 HA HIS 67 HA HIS 67 -2.462 -8.789 7.058 511 HB2 HIS 67 1HB HIS 67 -5.003 -8.619 6.325 512 HB3 HIS 67 2HB HIS 67 -5.170 -10.000 7.406 513 HD1 HIS 67 1HD HIS 67 -2.575 -7.969 8.768 514 HD2 HIS 67 2HD HIS 67 -6.726 -7.788 8.744 515 HE1 HIS 67 1HE HIS 67 -3.193 -6.443 10.669 516 H LYS 68 H LYS 68 -4.117 -10.338 9.033 517 HA LYS 68 HA LYS 68 -2.322 -11.907 10.241 518 HB2 LYS 68 1HB LYS 68 -5.270 -12.487 9.931 519 HB3 LYS 68 2HB LYS 68 -4.227 -13.330 11.068 520 HG2 LYS 68 1HG LYS 68 -4.510 -11.723 12.557 521 HG3 LYS 68 2HG LYS 68 -3.882 -10.526 11.423 522 HD2 LYS 68 1HD LYS 68 -5.988 -9.691 11.810 523 HD3 LYS 68 2HD LYS 68 -6.290 -10.700 10.393 524 HE2 LYS 68 1HE LYS 68 -7.826 -11.803 11.556 525 HE3 LYS 68 2HE LYS 68 -6.555 -12.377 12.635 526 HZ1 LYS 68 1HZ LYS 68 -8.655 -10.672 13.250 527 HZ2 LYS 68 2HZ LYS 68 -7.251 -9.730 13.312 528 HZ3 LYS 68 3HZ LYS 68 -7.372 -11.131 14.252 529 H THR 69 H THR 69 -4.037 -12.727 7.321 530 HA THR 69 HA THR 69 -3.958 -15.362 6.992 531 HB THR 69 HB THR 69 -3.210 -15.058 4.633 532 HG1 THR 69 1HG THR 69 -2.883 -12.336 5.420 533 HG21 THR 69 1HG2 THR 69 -5.357 -14.559 4.313 534 HG22 THR 69 2HG2 THR 69 -4.982 -12.858 4.586 535 HG23 THR 69 3HG2 THR 69 -5.466 -13.883 5.937 536 H GLU 70 H GLU 70 -2.562 -17.021 7.012 537 HA GLU 70 HA GLU 70 0.100 -16.615 7.938 538 HB2 GLU 70 1HB GLU 70 -1.691 -18.862 7.489 539 HB3 GLU 70 2HB GLU 70 -0.042 -19.235 7.008 540 HG2 GLU 70 1HG GLU 70 0.777 -18.677 9.199 541 HG3 GLU 70 2HG GLU 70 -0.826 -18.138 9.697 542 H PHE 71 H PHE 71 1.210 -15.391 6.421 543 HA PHE 71 HA PHE 71 1.370 -16.213 3.668 544 HB2 PHE 71 1HB PHE 71 1.533 -13.880 4.005 545 HB3 PHE 71 2HB PHE 71 2.721 -14.066 5.291 546 HD1 PHE 71 1HD PHE 71 2.184 -14.171 1.659 547 HD2 PHE 71 2HD PHE 71 5.044 -14.304 4.809 548 HE1 PHE 71 1HE PHE 71 3.994 -13.854 0.024 549 HE2 PHE 71 2HE PHE 71 6.859 -13.987 3.179 550 HZ PHE 71 HZ PHE 71 6.336 -13.760 0.783 551 H LEU 72 H LEU 72 2.368 -18.113 3.325 552 HA LEU 72 HA LEU 72 4.036 -19.648 3.142 553 HB2 LEU 72 1HB LEU 72 5.780 -17.356 4.031 554 HB3 LEU 72 2HB LEU 72 6.356 -18.874 3.346 555 HG LEU 72 HG LEU 72 4.747 -16.750 1.931 556 HD11 LEU 72 1HD1 LEU 72 7.416 -17.679 1.030 557 HD12 LEU 72 2HD1 LEU 72 7.346 -16.620 2.439 558 HD13 LEU 72 3HD1 LEU 72 6.663 -16.088 0.903 559 HD21 LEU 72 1HD2 LEU 72 5.044 -18.152 -0.066 560 HD22 LEU 72 2HD2 LEU 72 4.065 -18.948 1.167 561 HD23 LEU 72 3HD2 LEU 72 5.752 -19.416 0.940 562 H GLY 73 H GLY 73 2.663 -18.984 5.774 563 HA2 GLY 73 1HA GLY 73 2.780 -20.585 7.592 564 HA3 GLY 73 2HA GLY 73 4.531 -20.524 7.460 565 H LYS 74 H LYS 74 4.419 -17.552 7.151 566 HA LYS 74 HA LYS 74 4.281 -16.954 10.008 567 HB2 LYS 74 1HB LYS 74 5.463 -15.399 7.700 568 HB3 LYS 74 2HB LYS 74 5.498 -14.874 9.378 569 HG2 LYS 74 1HG LYS 74 6.535 -17.551 9.109 570 HG3 LYS 74 2HG LYS 74 7.392 -16.421 8.059 571 HD2 LYS 74 1HD LYS 74 8.605 -16.021 9.920 572 HD3 LYS 74 2HD LYS 74 7.251 -14.965 10.330 573 HE2 LYS 74 1HE LYS 74 6.246 -17.128 11.379 574 HE3 LYS 74 2HE LYS 74 7.917 -17.691 11.363 575 HZ1 LYS 74 1HZ LYS 74 7.446 -16.672 13.462 576 HZ2 LYS 74 2HZ LYS 74 6.876 -15.264 12.720 577 HZ3 LYS 74 3HZ LYS 74 8.514 -15.670 12.617 578 H GLU 75 H GLU 75 3.411 -14.827 10.674 579 HA GLU 75 HA GLU 75 0.945 -14.248 9.187 580 HB2 GLU 75 1HB GLU 75 0.520 -14.944 11.448 581 HB3 GLU 75 2HB GLU 75 1.695 -13.796 12.076 582 HG2 GLU 75 1HG GLU 75 0.019 -12.134 10.754 583 HG3 GLU 75 2HG GLU 75 -1.096 -13.396 11.273 584 H MET 76 H MET 76 0.742 -12.387 8.138 585 HA MET 76 HA MET 76 2.662 -10.237 8.733 586 HB2 MET 76 1HB MET 76 2.963 -10.942 6.493 587 HB3 MET 76 2HB MET 76 1.231 -11.014 6.200 588 HG2 MET 76 1HG MET 76 2.130 -8.364 6.978 589 HG3 MET 76 2HG MET 76 2.913 -8.956 5.515 590 HE1 MET 76 1HE MET 76 0.214 -10.751 4.146 591 HE2 MET 76 2HE MET 76 0.218 -9.427 2.980 592 HE3 MET 76 3HE MET 76 1.741 -10.021 3.646 593 H LYS 77 H LYS 77 1.953 -8.290 9.374 594 HA LYS 77 HA LYS 77 -0.927 -7.949 9.732 595 HB2 LYS 77 1HB LYS 77 1.474 -7.048 11.131 596 HB3 LYS 77 2HB LYS 77 0.299 -5.761 10.893 597 HG2 LYS 77 1HG LYS 77 -1.290 -6.784 12.204 598 HG3 LYS 77 2HG LYS 77 -0.601 -8.392 11.970 599 HD2 LYS 77 1HD LYS 77 1.170 -6.463 13.308 600 HD3 LYS 77 2HD LYS 77 -0.285 -6.892 14.212 601 HE2 LYS 77 1HE LYS 77 0.561 -8.879 14.742 602 HE3 LYS 77 2HE LYS 77 0.905 -9.239 13.051 603 HZ1 LYS 77 1HZ LYS 77 2.663 -7.559 14.746 604 HZ2 LYS 77 2HZ LYS 77 3.007 -8.193 13.217 605 HZ3 LYS 77 3HZ LYS 77 2.879 -9.225 14.551 606 H LEU 78 H LEU 78 -1.808 -5.714 9.408 607 HA LEU 78 HA LEU 78 -0.475 -4.141 7.358 608 HB2 LEU 78 1HB LEU 78 -2.983 -5.702 6.934 609 HB3 LEU 78 2HB LEU 78 -2.789 -4.147 6.127 610 HG LEU 78 HG LEU 78 -0.543 -6.029 5.807 611 HD11 LEU 78 1HD1 LEU 78 -3.305 -6.773 5.146 612 HD12 LEU 78 2HD1 LEU 78 -1.872 -7.779 5.351 613 HD13 LEU 78 3HD1 LEU 78 -2.147 -6.939 3.826 614 HD21 LEU 78 1HD2 LEU 78 -1.668 -5.043 3.386 615 HD22 LEU 78 2HD2 LEU 78 -0.139 -4.610 4.151 616 HD23 LEU 78 3HD2 LEU 78 -1.610 -3.724 4.555 617 H TYR 79 H TYR 79 -0.832 -2.027 7.639 618 HA TYR 79 HA TYR 79 -3.151 -1.208 9.258 619 HB2 TYR 79 1HB TYR 79 -0.368 -0.030 9.407 620 HB3 TYR 79 2HB TYR 79 -1.767 0.496 10.336 621 HD1 TYR 79 2HD TYR 79 -2.855 -1.264 11.890 622 HD2 TYR 79 1HD TYR 79 1.061 -1.651 10.273 623 HE1 TYR 79 2HE TYR 79 -2.290 -2.875 13.660 624 HE2 TYR 79 1HE TYR 79 1.638 -3.264 12.038 625 HH TYR 79 HH TYR 79 0.980 -4.172 13.989 626 H PHE 80 H PHE 80 -4.362 0.363 8.409 627 HA PHE 80 HA PHE 80 -3.989 1.271 5.788 628 HB2 PHE 80 1HB PHE 80 -5.849 1.875 8.008 629 HB3 PHE 80 2HB PHE 80 -5.689 3.130 6.785 630 HD1 PHE 80 2HD PHE 80 -5.487 1.820 4.294 631 HD2 PHE 80 1HD PHE 80 -7.767 0.668 7.698 632 HE1 PHE 80 2HE PHE 80 -7.043 0.595 2.833 633 HE2 PHE 80 1HE PHE 80 -9.326 -0.559 6.243 634 HZ PHE 80 HZ PHE 80 -8.965 -0.596 3.808 635 H ALA 81 H ALA 81 -2.138 2.337 5.323 636 HA ALA 81 HA ALA 81 -0.576 3.985 6.768 637 HB1 ALA 81 1HB ALA 81 0.134 3.515 4.589 638 HB2 ALA 81 2HB ALA 81 -1.343 4.162 3.871 639 HB3 ALA 81 3HB ALA 81 -0.158 5.255 4.587 640 H GLN 82 H GLN 82 -0.506 6.099 7.429 641 HA GLN 82 HA GLN 82 -1.249 8.157 8.050 642 HB2 GLN 82 1HB GLN 82 -2.210 7.799 5.385 643 HB3 GLN 82 2HB GLN 82 -3.457 8.615 6.319 644 HG2 GLN 82 1HG GLN 82 -0.828 9.725 6.812 645 HG3 GLN 82 2HG GLN 82 -1.270 9.783 5.107 646 HE21 GLN 82 2HE2 GLN 82 -0.960 12.128 6.232 647 HE22 GLN 82 1HE2 GLN 82 -2.471 12.897 6.569 648 H THR 83 H THR 83 -2.955 9.193 9.221 649 HA THR 83 HA THR 83 -4.486 9.026 10.930 650 HB THR 83 HB THR 83 -6.764 8.620 10.153 651 HG1 THR 83 1HG THR 83 -5.610 7.814 7.676 652 HG21 THR 83 1HG2 THR 83 -6.548 10.707 9.385 653 HG22 THR 83 2HG2 THR 83 -6.237 10.006 7.797 654 HG23 THR 83 3HG2 THR 83 -4.890 10.410 8.862 655 H LEU 84 H LEU 84 -3.484 7.420 12.213 656 HA LEU 84 HA LEU 84 -3.532 4.700 11.925 657 HB2 LEU 84 1HB LEU 84 -3.596 4.633 14.461 658 HB3 LEU 84 2HB LEU 84 -2.296 5.559 13.712 659 HG LEU 84 HG LEU 84 -3.791 7.608 14.114 660 HD11 LEU 84 1HD1 LEU 84 -5.412 5.509 15.259 661 HD12 LEU 84 2HD1 LEU 84 -5.817 7.192 14.926 662 HD13 LEU 84 3HD1 LEU 84 -5.036 6.758 16.446 663 HD21 LEU 84 1HD2 LEU 84 -2.551 8.050 15.947 664 HD22 LEU 84 2HD2 LEU 84 -1.737 6.553 15.492 665 HD23 LEU 84 3HD2 LEU 84 -2.983 6.536 16.741 666 H HIS 85 H HIS 85 -4.833 3.132 13.333 667 HA HIS 85 HA HIS 85 -7.620 3.877 13.686 668 HB2 HIS 85 1HB HIS 85 -6.901 2.807 11.270 669 HB3 HIS 85 2HB HIS 85 -7.351 1.367 12.178 670 HD1 HIS 85 1HD HIS 85 -9.834 1.119 12.855 671 HD2 HIS 85 2HD HIS 85 -9.010 4.534 10.638 672 HE1 HIS 85 1HE HIS 85 -12.074 2.013 12.142 673 H ILE 86 H ILE 86 -5.693 3.229 15.588 674 HA ILE 86 HA ILE 86 -5.736 0.493 16.329 675 HB ILE 86 HB ILE 86 -5.222 2.914 18.061 676 HG12 ILE 86 1HG1 ILE 86 -2.876 1.410 17.426 677 HG13 ILE 86 2HG1 ILE 86 -3.719 1.784 15.927 678 HG21 ILE 86 1HG2 ILE 86 -4.693 1.558 19.773 679 HG22 ILE 86 2HG2 ILE 86 -5.720 0.398 18.933 680 HG23 ILE 86 3HG2 ILE 86 -3.970 0.342 18.721 681 HD11 ILE 86 1HD1 ILE 86 -3.785 4.168 17.284 682 HD12 ILE 86 2HD1 ILE 86 -2.201 3.510 17.696 683 HD13 ILE 86 3HD1 ILE 86 -2.653 3.730 16.006 684 H GLY 87 H GLY 87 -7.715 -0.419 16.562 685 HA2 GLY 87 1HA GLY 87 -10.050 0.708 17.485 686 HA3 GLY 87 2HA GLY 87 -9.657 -0.996 17.651 687 H SER 88 H SER 88 -7.636 -1.027 19.444 688 HA SER 88 HA SER 88 -8.106 0.635 21.712 689 HB2 SER 88 1HB SER 88 -9.792 -1.660 21.420 690 HB3 SER 88 2HB SER 88 -8.710 -1.926 22.786 691 HG SER 88 HG SER 88 -10.530 -0.834 23.502 692 H SER 89 H SER 89 -7.037 -2.635 20.790 693 HA SER 89 HA SER 89 -5.157 -3.819 21.288 694 HB2 SER 89 1HB SER 89 -4.314 -1.108 20.624 695 HB3 SER 89 2HB SER 89 -3.156 -1.930 21.669 696 HG SER 89 HG SER 89 -3.543 -3.744 20.043 697 H HIS 90 H HIS 90 -3.222 -3.939 22.903 698 HA HIS 90 HA HIS 90 -2.527 -4.170 25.058 699 HB2 HIS 90 1HB HIS 90 -3.776 -1.507 24.984 700 HB3 HIS 90 2HB HIS 90 -3.687 -2.225 26.589 701 HD1 HIS 90 1HD HIS 90 -1.057 -3.355 26.917 702 HD2 HIS 90 2HD HIS 90 -1.602 0.015 24.549 703 HE1 HIS 90 1HE HIS 90 1.200 -2.253 26.787 704 H LEU 91 H LEU 91 -3.282 -4.695 27.273 705 HA LEU 91 HA LEU 91 -4.633 -5.839 28.700 706 HB2 LEU 91 1HB LEU 91 -6.353 -3.901 27.399 707 HB3 LEU 91 2HB LEU 91 -7.237 -5.348 27.878 708 HG LEU 91 HG LEU 91 -5.515 -3.801 29.800 709 HD11 LEU 91 1HD1 LEU 91 -6.987 -2.132 29.613 710 HD12 LEU 91 2HD1 LEU 91 -8.108 -3.206 30.449 711 HD13 LEU 91 3HD1 LEU 91 -8.123 -3.113 28.688 712 HD21 LEU 91 1HD2 LEU 91 -7.503 -6.018 29.976 713 HD22 LEU 91 2HD2 LEU 91 -7.330 -4.902 31.331 714 HD23 LEU 91 3HD2 LEU 91 -5.942 -5.837 30.775 715 H ALA 92 H ALA 92 -5.879 -7.759 28.861 716 HA ALA 92 HA ALA 92 -6.503 -9.846 28.200 717 HB1 ALA 92 1HB ALA 92 -8.222 -8.240 27.040 718 HB2 ALA 92 2HB ALA 92 -7.428 -8.802 25.568 719 HB3 ALA 92 3HB ALA 92 -8.193 -9.961 26.654 720 HA PRO 93 HA PRO 93 -2.674 -10.366 25.677 721 HB2 PRO 93 1HB PRO 93 -1.664 -12.352 27.228 722 HB3 PRO 93 2HB PRO 93 -1.424 -10.638 27.586 723 HG2 PRO 93 1HG PRO 93 -3.397 -12.560 28.760 724 HG3 PRO 93 2HG PRO 93 -2.409 -11.334 29.575 725 HD2 PRO 93 1HD PRO 93 -5.023 -10.944 28.986 726 HD3 PRO 93 2HD PRO 93 -3.841 -9.620 29.002 727 HA PRO 94 HA PRO 94 -4.051 -13.851 23.370 728 HB2 PRO 94 1HB PRO 94 -1.700 -14.835 22.434 729 HB3 PRO 94 2HB PRO 94 -2.419 -13.336 21.837 730 HG2 PRO 94 1HG PRO 94 -0.230 -13.718 23.842 731 HG3 PRO 94 2HG PRO 94 -0.340 -12.545 22.517 732 HD2 PRO 94 1HD PRO 94 -0.886 -11.895 25.089 733 HD3 PRO 94 2HD PRO 94 -1.713 -11.134 23.715 734 H ASN 95 H ASN 95 -3.428 -16.270 22.987 735 HA ASN 95 HA ASN 95 -3.534 -17.552 25.549 736 HB2 ASN 95 1HB ASN 95 -3.578 -18.555 22.708 737 HB3 ASN 95 2HB ASN 95 -3.524 -19.663 24.077 738 HD21 ASN 95 2HD2 ASN 95 -5.599 -20.013 22.568 739 HD22 ASN 95 1HD2 ASN 95 -7.040 -19.336 23.239 740 HA PRO 96 HA PRO 96 0.749 -18.388 26.122 741 HB2 PRO 96 1HB PRO 96 0.554 -20.554 27.747 742 HB3 PRO 96 2HB PRO 96 0.203 -18.909 28.292 743 HG2 PRO 96 1HG PRO 96 -1.689 -21.066 27.437 744 HG3 PRO 96 2HG PRO 96 -1.815 -19.946 28.806 745 HD2 PRO 96 1HD PRO 96 -3.160 -19.568 26.486 746 HD3 PRO 96 2HD PRO 96 -2.581 -18.219 27.485 747 H ASP 97 H ASP 97 2.154 -20.564 26.302 748 HA ASP 97 HA ASP 97 1.360 -22.632 24.464 749 HB2 ASP 97 1HB ASP 97 2.648 -20.369 23.397 750 HB3 ASP 97 2HB ASP 97 3.875 -21.632 23.467 751 H LYS 98 H LYS 98 1.755 -23.822 26.413 752 HA LYS 98 HA LYS 98 4.616 -24.189 27.018 753 HB2 LYS 98 1HB LYS 98 2.475 -23.645 28.745 754 HB3 LYS 98 2HB LYS 98 2.842 -25.348 28.987 755 HG2 LYS 98 1HG LYS 98 5.190 -23.596 28.915 756 HG3 LYS 98 2HG LYS 98 4.081 -23.298 30.256 757 HD2 LYS 98 1HD LYS 98 4.189 -25.679 30.855 758 HD3 LYS 98 2HD LYS 98 5.322 -25.952 29.529 759 HE2 LYS 98 1HE LYS 98 6.708 -24.079 30.686 760 HE3 LYS 98 2HE LYS 98 5.725 -24.469 32.095 761 HZ1 LYS 98 1HZ LYS 98 7.665 -25.774 32.237 762 HZ2 LYS 98 2HZ LYS 98 7.565 -26.263 30.621 763 HZ3 LYS 98 3HZ LYS 98 6.439 -26.833 31.748 764 H SER 99 H SER 99 5.489 -26.217 26.980 765 HA SER 99 HA SER 99 3.723 -28.371 26.017 766 HB2 SER 99 1HB SER 99 5.643 -27.394 24.519 767 HB3 SER 99 2HB SER 99 6.684 -28.387 25.539 768 HG SER 99 HG SER 99 6.081 -30.016 24.378 769 H GLY 100 H GLY 100 4.080 -30.489 26.781 770 HA2 GLY 100 1HA GLY 100 5.786 -30.671 29.184 771 HA3 GLY 100 2HA GLY 100 4.137 -31.276 29.192 772 HA PRO 101 HA PRO 101 6.739 -34.150 26.268 773 HB2 PRO 101 1HB PRO 101 9.433 -33.943 26.525 774 HB3 PRO 101 2HB PRO 101 8.505 -33.002 25.351 775 HG2 PRO 101 1HG PRO 101 9.539 -32.186 28.039 776 HG3 PRO 101 2HG PRO 101 9.549 -31.281 26.515 777 HD2 PRO 101 1HD PRO 101 7.723 -30.833 28.464 778 HD3 PRO 101 2HD PRO 101 7.349 -30.633 26.740 779 H SER 102 H SER 102 8.307 -36.032 26.747 780 HA SER 102 HA SER 102 8.929 -36.511 29.514 781 HB2 SER 102 1HB SER 102 6.436 -36.975 29.304 782 HB3 SER 102 2HB SER 102 6.867 -38.324 28.254 783 HG SER 102 HG SER 102 7.601 -37.948 30.967 784 H SER 103 H SER 103 9.744 -38.819 29.800 785 HA SER 103 HA SER 103 11.017 -39.761 27.316 786 HB2 SER 103 1HB SER 103 13.095 -40.065 28.405 787 HB3 SER 103 2HB SER 103 12.539 -38.477 28.935 788 HG SER 103 HG SER 103 12.813 -39.263 30.861 789 H GLY 104 H GLY 104 12.019 -42.032 27.721 790 HA2 GLY 104 1HA GLY 104 11.002 -43.768 29.659 791 HA3 GLY 104 2HA GLY 104 9.891 -43.797 28.297 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -3.731 17.163 -9.532 2 HA2 GLY 1 1HA GLY 1 -6.412 16.551 -8.518 3 HA3 GLY 1 2HA GLY 1 -5.469 15.231 -9.194 4 H SER 2 H SER 2 -3.554 14.561 -8.125 5 HA SER 2 HA SER 2 -2.689 13.760 -6.133 6 HB2 SER 2 1HB SER 2 -1.671 16.225 -6.901 7 HB3 SER 2 2HB SER 2 -2.001 16.432 -5.181 8 HG SER 2 HG SER 2 -0.470 15.048 -4.712 9 H SER 3 H SER 3 -4.697 13.118 -5.155 10 HA SER 3 HA SER 3 -5.043 14.028 -2.546 11 HB2 SER 3 1HB SER 3 -6.108 15.911 -4.141 12 HB3 SER 3 2HB SER 3 -7.501 14.837 -4.007 13 HG SER 3 HG SER 3 -6.041 15.783 -1.770 14 H GLY 4 H GLY 4 -5.086 11.821 -2.162 15 HA2 GLY 4 1HA GLY 4 -7.556 10.571 -1.952 16 HA3 GLY 4 2HA GLY 4 -6.856 10.023 -3.467 17 H SER 5 H SER 5 -7.084 9.430 -0.194 18 HA SER 5 HA SER 5 -4.497 8.252 0.214 19 HB2 SER 5 1HB SER 5 -5.916 9.210 2.055 20 HB3 SER 5 2HB SER 5 -7.007 7.840 1.854 21 HG SER 5 HG SER 5 -5.317 6.464 2.427 22 H SER 6 H SER 6 -4.097 6.001 0.594 23 HA SER 6 HA SER 6 -5.925 3.940 0.100 24 HB2 SER 6 1HB SER 6 -5.884 4.913 -2.207 25 HB3 SER 6 2HB SER 6 -4.164 4.531 -2.291 26 HG SER 6 HG SER 6 -5.844 2.454 -1.549 27 H GLY 7 H GLY 7 -2.614 5.081 -0.023 28 HA2 GLY 7 1HA GLY 7 -1.068 2.874 -0.122 29 HA3 GLY 7 2HA GLY 7 -0.749 4.178 1.012 30 H LEU 8 H LEU 8 -0.172 1.391 1.389 31 HA LEU 8 HA LEU 8 -1.701 0.974 3.851 32 HB2 LEU 8 1HB LEU 8 -1.290 -1.042 1.660 33 HB3 LEU 8 2HB LEU 8 -1.691 -1.505 3.312 34 HG LEU 8 HG LEU 8 -3.436 0.347 1.714 35 HD11 LEU 8 1HD1 LEU 8 -3.917 -1.341 0.348 36 HD12 LEU 8 2HD1 LEU 8 -4.670 -2.127 1.734 37 HD13 LEU 8 3HD1 LEU 8 -2.995 -2.490 1.317 38 HD21 LEU 8 1HD2 LEU 8 -4.581 -1.494 3.675 39 HD22 LEU 8 2HD2 LEU 8 -4.851 0.233 3.445 40 HD23 LEU 8 3HD2 LEU 8 -3.450 -0.329 4.360 41 H ILE 9 H ILE 9 -0.531 0.157 5.529 42 HA ILE 9 HA ILE 9 2.339 -0.236 5.029 43 HB ILE 9 HB ILE 9 1.013 0.362 7.673 44 HG12 ILE 9 1HG1 ILE 9 0.852 2.142 5.787 45 HG13 ILE 9 2HG1 ILE 9 1.420 2.639 7.377 46 HG21 ILE 9 1HG2 ILE 9 3.826 0.035 6.750 47 HG22 ILE 9 2HG2 ILE 9 3.481 1.177 8.048 48 HG23 ILE 9 3HG2 ILE 9 3.052 -0.523 8.234 49 HD11 ILE 9 1HD1 ILE 9 3.175 1.997 5.019 50 HD12 ILE 9 2HD1 ILE 9 2.750 3.614 5.581 51 HD13 ILE 9 3HD1 ILE 9 3.717 2.551 6.603 52 H ALA 10 H ALA 10 2.682 -2.359 4.713 53 HA ALA 10 HA ALA 10 1.320 -4.316 6.400 54 HB1 ALA 10 1HB ALA 10 3.139 -5.541 4.583 55 HB2 ALA 10 2HB ALA 10 1.376 -5.593 4.588 56 HB3 ALA 10 3HB ALA 10 2.218 -4.309 3.721 57 H CYS 11 H CYS 11 2.376 -5.741 7.758 58 HA CYS 11 HA CYS 11 5.212 -5.145 8.285 59 HB2 CYS 11 1HB CYS 11 3.416 -4.411 10.019 60 HB3 CYS 11 2HB CYS 11 3.339 -6.122 10.420 61 HG CYS 11 HG CYS 11 6.399 -5.830 10.592 62 H VAL 12 H VAL 12 6.319 -6.810 7.468 63 HA VAL 12 HA VAL 12 5.253 -9.523 7.714 64 HB VAL 12 HB VAL 12 7.859 -9.241 6.415 65 HG11 VAL 12 1HG1 VAL 12 5.194 -10.433 5.682 66 HG12 VAL 12 2HG1 VAL 12 6.604 -10.485 4.621 67 HG13 VAL 12 3HG1 VAL 12 6.655 -11.275 6.198 68 HG21 VAL 12 1HG2 VAL 12 7.283 -7.192 5.546 69 HG22 VAL 12 2HG2 VAL 12 6.598 -8.271 4.331 70 HG23 VAL 12 3HG2 VAL 12 5.556 -7.550 5.557 71 H ALA 13 H ALA 13 6.407 -11.213 8.676 72 HA ALA 13 HA ALA 13 8.277 -10.341 10.751 73 HB1 ALA 13 1HB ALA 13 7.743 -12.319 11.926 74 HB2 ALA 13 2HB ALA 13 6.217 -11.705 11.288 75 HB3 ALA 13 3HB ALA 13 7.021 -13.061 10.498 76 H ASN 14 H ASN 14 8.141 -12.159 7.817 77 HA ASN 14 HA ASN 14 10.566 -13.635 8.264 78 HB2 ASN 14 1HB ASN 14 8.543 -13.415 6.141 79 HB3 ASN 14 2HB ASN 14 10.179 -13.690 5.550 80 HD21 ASN 14 2HD2 ASN 14 8.045 -15.504 5.301 81 HD22 ASN 14 1HD2 ASN 14 8.439 -16.921 6.207 82 H ASP 15 H ASP 15 12.342 -12.407 8.557 83 HA ASP 15 HA ASP 15 12.873 -9.934 7.366 84 HB2 ASP 15 1HB ASP 15 14.115 -10.539 9.305 85 HB3 ASP 15 2HB ASP 15 14.697 -12.023 8.555 86 H ASP 16 H ASP 16 12.924 -13.049 6.028 87 HA ASP 16 HA ASP 16 14.956 -12.659 4.065 88 HB2 ASP 16 1HB ASP 16 12.708 -14.639 4.369 89 HB3 ASP 16 2HB ASP 16 13.741 -14.630 2.943 90 H VAL 17 H VAL 17 11.697 -11.645 4.360 91 HA VAL 17 HA VAL 17 10.992 -11.434 1.635 92 HB VAL 17 HB VAL 17 10.028 -9.852 4.019 93 HG11 VAL 17 1HG1 VAL 17 9.541 -8.524 2.122 94 HG12 VAL 17 2HG1 VAL 17 9.045 -9.928 1.176 95 HG13 VAL 17 3HG1 VAL 17 8.050 -9.375 2.524 96 HG21 VAL 17 1HG2 VAL 17 9.217 -12.410 2.733 97 HG22 VAL 17 2HG2 VAL 17 9.299 -11.983 4.442 98 HG23 VAL 17 3HG2 VAL 17 7.969 -11.390 3.447 99 H PHE 18 H PHE 18 13.114 -9.605 3.610 100 HA PHE 18 HA PHE 18 13.026 -7.256 1.900 101 HB2 PHE 18 1HB PHE 18 14.777 -7.882 4.286 102 HB3 PHE 18 2HB PHE 18 14.702 -6.333 3.453 103 HD1 PHE 18 1HD PHE 18 12.597 -8.762 5.317 104 HD2 PHE 18 2HD PHE 18 13.187 -4.716 4.132 105 HE1 PHE 18 1HE PHE 18 10.754 -8.065 6.790 106 HE2 PHE 18 2HE PHE 18 11.345 -4.012 5.603 107 HZ PHE 18 HZ PHE 18 10.127 -5.688 6.936 108 H SER 19 H SER 19 13.976 -9.968 0.996 109 HA SER 19 HA SER 19 16.702 -9.212 0.174 110 HB2 SER 19 1HB SER 19 15.444 -11.957 0.381 111 HB3 SER 19 2HB SER 19 17.064 -11.638 -0.238 112 HG SER 19 HG SER 19 17.601 -10.788 1.808 113 H GLU 20 H GLU 20 17.343 -9.676 -2.002 114 HA GLU 20 HA GLU 20 15.194 -9.205 -3.889 115 HB2 GLU 20 1HB GLU 20 16.926 -8.770 -5.502 116 HB3 GLU 20 2HB GLU 20 17.346 -7.955 -4.001 117 HG2 GLU 20 1HG GLU 20 19.333 -8.913 -4.819 118 HG3 GLU 20 2HG GLU 20 18.816 -9.921 -3.469 119 H SER 21 H SER 21 16.898 -11.869 -2.673 120 HA SER 21 HA SER 21 17.346 -13.651 -4.619 121 HB2 SER 21 1HB SER 21 15.733 -14.252 -2.126 122 HB3 SER 21 2HB SER 21 16.585 -15.443 -3.109 123 HG SER 21 HG SER 21 17.587 -13.553 -1.326 124 H GLU 22 H GLU 22 14.107 -13.540 -3.127 125 HA GLU 22 HA GLU 22 12.666 -13.298 -5.515 126 HB2 GLU 22 1HB GLU 22 13.720 -15.593 -5.836 127 HB3 GLU 22 2HB GLU 22 12.694 -16.143 -4.520 128 HG2 GLU 22 1HG GLU 22 10.712 -15.481 -5.798 129 HG3 GLU 22 2HG GLU 22 11.752 -14.963 -7.124 130 H THR 23 H THR 23 12.811 -14.559 -2.249 131 HA THR 23 HA THR 23 10.237 -14.970 -1.530 132 HB THR 23 HB THR 23 12.160 -13.324 0.123 133 HG1 THR 23 1HG THR 23 11.845 -16.112 0.378 134 HG21 THR 23 1HG2 THR 23 10.349 -15.253 1.405 135 HG22 THR 23 2HG2 THR 23 9.548 -13.870 0.656 136 HG23 THR 23 3HG2 THR 23 10.785 -13.613 1.886 137 H ARG 24 H ARG 24 11.779 -11.811 -1.947 138 HA ARG 24 HA ARG 24 9.763 -10.166 -1.001 139 HB2 ARG 24 1HB ARG 24 11.878 -9.219 -1.587 140 HB3 ARG 24 2HB ARG 24 11.727 -9.760 -3.253 141 HG2 ARG 24 1HG ARG 24 9.943 -8.191 -3.650 142 HG3 ARG 24 2HG ARG 24 9.950 -7.709 -1.952 143 HD2 ARG 24 1HD ARG 24 11.603 -6.260 -2.299 144 HD3 ARG 24 2HD ARG 24 12.586 -7.489 -3.093 145 HE ARG 24 HE ARG 24 10.486 -6.384 -4.734 146 HH11 ARG 24 2HH1 ARG 24 13.799 -6.110 -3.701 147 HH12 ARG 24 1HH1 ARG 24 14.297 -5.213 -5.098 148 HH21 ARG 24 2HH2 ARG 24 11.129 -5.205 -6.577 149 HH22 ARG 24 1HH2 ARG 24 12.778 -4.698 -6.732 150 H ALA 25 H ALA 25 10.167 -11.536 -4.249 151 HA ALA 25 HA ALA 25 8.028 -10.286 -5.512 152 HB1 ALA 25 1HB ALA 25 9.708 -11.577 -6.714 153 HB2 ALA 25 2HB ALA 25 9.094 -13.065 -5.993 154 HB3 ALA 25 3HB ALA 25 8.083 -12.141 -7.104 155 H LYS 26 H LYS 26 8.097 -13.247 -3.576 156 HA LYS 26 HA LYS 26 5.492 -14.123 -4.021 157 HB2 LYS 26 1HB LYS 26 7.226 -14.364 -1.558 158 HB3 LYS 26 2HB LYS 26 5.710 -15.228 -1.778 159 HG2 LYS 26 1HG LYS 26 6.581 -16.495 -3.570 160 HG3 LYS 26 2HG LYS 26 8.007 -15.463 -3.700 161 HD2 LYS 26 1HD LYS 26 8.289 -16.244 -1.163 162 HD3 LYS 26 2HD LYS 26 7.395 -17.636 -1.778 163 HE2 LYS 26 1HE LYS 26 9.063 -17.907 -3.555 164 HE3 LYS 26 2HE LYS 26 9.958 -16.526 -2.920 165 HZ1 LYS 26 1HZ LYS 26 9.362 -18.778 -1.133 166 HZ2 LYS 26 2HZ LYS 26 10.667 -17.701 -1.106 167 HZ3 LYS 26 3HZ LYS 26 10.617 -18.939 -2.257 168 H PHE 27 H PHE 27 6.703 -11.548 -2.010 169 HA PHE 27 HA PHE 27 4.175 -11.204 -0.632 170 HB2 PHE 27 1HB PHE 27 6.035 -10.723 0.733 171 HB3 PHE 27 2HB PHE 27 6.826 -9.784 -0.529 172 HD1 PHE 27 1HD PHE 27 5.681 -7.597 -1.246 173 HD2 PHE 27 2HD PHE 27 4.788 -9.660 2.369 174 HE1 PHE 27 1HE PHE 27 4.735 -5.531 -0.304 175 HE2 PHE 27 2HE PHE 27 3.839 -7.597 3.315 176 HZ PHE 27 HZ PHE 27 3.811 -5.528 1.979 177 H GLU 28 H GLU 28 5.900 -9.853 -3.338 178 HA GLU 28 HA GLU 28 4.280 -7.500 -3.569 179 HB2 GLU 28 1HB GLU 28 6.593 -8.622 -4.890 180 HB3 GLU 28 2HB GLU 28 5.430 -8.037 -6.070 181 HG2 GLU 28 1HG GLU 28 5.387 -5.873 -4.784 182 HG3 GLU 28 2HG GLU 28 6.765 -6.486 -3.872 183 H SER 29 H SER 29 4.597 -10.371 -5.668 184 HA SER 29 HA SER 29 2.651 -10.051 -7.463 185 HB2 SER 29 1HB SER 29 2.301 -12.457 -7.503 186 HB3 SER 29 2HB SER 29 4.006 -12.120 -7.208 187 HG SER 29 HG SER 29 3.683 -13.441 -5.591 188 H LEU 30 H LEU 30 2.105 -10.821 -4.069 189 HA LEU 30 HA LEU 30 -0.592 -11.407 -4.089 190 HB2 LEU 30 1HB LEU 30 1.103 -9.967 -2.070 191 HB3 LEU 30 2HB LEU 30 -0.593 -10.342 -1.776 192 HG LEU 30 HG LEU 30 1.456 -12.454 -2.411 193 HD11 LEU 30 1HD1 LEU 30 2.001 -11.103 -0.343 194 HD12 LEU 30 2HD1 LEU 30 1.784 -12.837 -0.107 195 HD13 LEU 30 3HD1 LEU 30 0.497 -11.719 0.342 196 HD21 LEU 30 1HD2 LEU 30 -1.400 -12.401 -1.944 197 HD22 LEU 30 2HD2 LEU 30 -0.569 -13.461 -0.805 198 HD23 LEU 30 3HD2 LEU 30 -0.378 -13.708 -2.541 199 H PHE 31 H PHE 31 0.768 -8.189 -3.354 200 HA PHE 31 HA PHE 31 -1.732 -6.875 -3.654 201 HB2 PHE 31 1HB PHE 31 0.986 -5.571 -3.806 202 HB3 PHE 31 2HB PHE 31 -0.534 -4.841 -3.299 203 HD1 PHE 31 2HD PHE 31 2.126 -7.197 -2.344 204 HD2 PHE 31 1HD PHE 31 -1.327 -5.058 -1.074 205 HE1 PHE 31 2HE PHE 31 2.642 -7.759 -0.004 206 HE2 PHE 31 1HE PHE 31 -0.816 -5.616 1.268 207 HZ PHE 31 HZ PHE 31 1.171 -6.970 1.805 208 H ARG 32 H ARG 32 1.181 -6.987 -5.695 209 HA ARG 32 HA ARG 32 0.423 -5.366 -7.763 210 HB2 ARG 32 1HB ARG 32 2.505 -7.065 -7.330 211 HB3 ARG 32 2HB ARG 32 1.665 -7.894 -8.633 212 HG2 ARG 32 1HG ARG 32 2.256 -4.980 -8.877 213 HG3 ARG 32 2HG ARG 32 3.529 -6.167 -9.170 214 HD2 ARG 32 1HD ARG 32 1.889 -7.297 -10.754 215 HD3 ARG 32 2HD ARG 32 0.917 -5.832 -10.620 216 HE ARG 32 HE ARG 32 2.390 -4.787 -12.016 217 HH11 ARG 32 2HH1 ARG 32 3.920 -7.621 -10.693 218 HH12 ARG 32 1HH1 ARG 32 5.335 -7.478 -11.681 219 HH21 ARG 32 2HH2 ARG 32 4.249 -4.588 -13.322 220 HH22 ARG 32 1HH2 ARG 32 5.522 -5.751 -13.175 221 H THR 33 H THR 33 -0.390 -8.797 -7.349 222 HA THR 33 HA THR 33 -1.646 -9.427 -9.657 223 HB THR 33 HB THR 33 -2.483 -10.085 -6.837 224 HG1 THR 33 1HG THR 33 -0.903 -11.453 -7.144 225 HG21 THR 33 1HG2 THR 33 -4.480 -10.687 -7.664 226 HG22 THR 33 2HG2 THR 33 -3.612 -12.021 -8.425 227 HG23 THR 33 3HG2 THR 33 -3.931 -10.543 -9.332 228 H TYR 34 H TYR 34 -2.878 -7.300 -7.148 229 HA TYR 34 HA TYR 34 -5.488 -7.053 -8.319 230 HB2 TYR 34 1HB TYR 34 -4.177 -5.254 -6.274 231 HB3 TYR 34 2HB TYR 34 -5.899 -5.388 -6.614 232 HD1 TYR 34 1HD TYR 34 -6.665 -8.041 -6.511 233 HD2 TYR 34 2HD TYR 34 -3.542 -6.205 -4.282 234 HE1 TYR 34 1HE TYR 34 -6.874 -9.789 -4.793 235 HE2 TYR 34 2HE TYR 34 -3.740 -7.948 -2.558 236 HH TYR 34 HH TYR 34 -4.565 -10.318 -2.421 237 H ASP 35 H ASP 35 -3.130 -4.474 -7.651 238 HA ASP 35 HA ASP 35 -3.935 -3.207 -10.182 239 HB2 ASP 35 1HB ASP 35 -4.161 -2.055 -7.833 240 HB3 ASP 35 2HB ASP 35 -2.437 -1.753 -8.034 241 H LYS 36 H LYS 36 -2.385 -2.400 -11.601 242 HA LYS 36 HA LYS 36 0.212 -3.715 -11.401 243 HB2 LYS 36 1HB LYS 36 -1.080 -2.224 -13.692 244 HB3 LYS 36 2HB LYS 36 0.471 -3.047 -13.772 245 HG2 LYS 36 1HG LYS 36 -1.489 -4.868 -12.786 246 HG3 LYS 36 2HG LYS 36 -2.094 -4.104 -14.258 247 HD2 LYS 36 1HD LYS 36 0.460 -4.641 -14.980 248 HD3 LYS 36 2HD LYS 36 0.142 -5.982 -13.876 249 HE2 LYS 36 1HE LYS 36 -1.566 -6.825 -15.192 250 HE3 LYS 36 2HE LYS 36 -1.854 -5.279 -15.989 251 HZ1 LYS 36 1HZ LYS 36 0.720 -5.931 -16.648 252 HZ2 LYS 36 2HZ LYS 36 -0.636 -6.075 -17.648 253 HZ3 LYS 36 3HZ LYS 36 -0.108 -7.404 -16.745 254 H ASP 37 H ASP 37 -1.204 -0.638 -10.977 255 HA ASP 37 HA ASP 37 1.353 0.750 -11.301 256 HB2 ASP 37 1HB ASP 37 -1.419 1.500 -11.588 257 HB3 ASP 37 2HB ASP 37 -0.610 2.576 -10.450 258 H THR 38 H THR 38 0.840 -1.132 -9.111 259 HA THR 38 HA THR 38 0.616 0.554 -6.751 260 HB THR 38 HB THR 38 1.283 -1.922 -5.796 261 HG1 THR 38 1HG THR 38 -0.318 -3.188 -7.238 262 HG21 THR 38 1HG2 THR 38 -1.433 -0.822 -6.517 263 HG22 THR 38 2HG2 THR 38 -0.580 -0.643 -4.984 264 HG23 THR 38 3HG2 THR 38 -1.179 -2.226 -5.481 265 H THR 39 H THR 39 2.284 1.307 -5.610 266 HA THR 39 HA THR 39 4.984 0.450 -6.386 267 HB THR 39 HB THR 39 5.767 2.543 -5.335 268 HG1 THR 39 1HG THR 39 2.984 3.065 -4.981 269 HG21 THR 39 1HG2 THR 39 3.625 3.548 -7.096 270 HG22 THR 39 2HG2 THR 39 4.626 2.261 -7.770 271 HG23 THR 39 3HG2 THR 39 5.372 3.755 -7.205 272 H PHE 40 H PHE 40 6.360 -0.460 -4.962 273 HA PHE 40 HA PHE 40 5.381 -0.844 -2.211 274 HB2 PHE 40 1HB PHE 40 7.309 -2.594 -3.750 275 HB3 PHE 40 2HB PHE 40 6.636 -2.923 -2.157 276 HD1 PHE 40 1HD PHE 40 5.531 -2.240 -5.650 277 HD2 PHE 40 2HD PHE 40 4.801 -4.300 -1.998 278 HE1 PHE 40 1HE PHE 40 3.645 -3.423 -6.698 279 HE2 PHE 40 2HE PHE 40 2.916 -5.487 -3.040 280 HZ PHE 40 HZ PHE 40 2.335 -5.050 -5.393 281 H GLN 41 H GLN 41 6.672 -0.350 -0.508 282 HA GLN 41 HA GLN 41 9.388 0.619 -1.097 283 HB2 GLN 41 1HB GLN 41 7.136 2.025 0.178 284 HB3 GLN 41 2HB GLN 41 8.664 2.150 1.039 285 HG2 GLN 41 1HG GLN 41 9.342 2.625 -1.600 286 HG3 GLN 41 2HG GLN 41 7.794 3.445 -1.395 287 HE21 GLN 41 2HE2 GLN 41 7.622 4.877 0.508 288 HE22 GLN 41 1HE2 GLN 41 9.016 5.788 0.968 289 H TYR 42 H TYR 42 10.645 -0.906 -0.216 290 HA TYR 42 HA TYR 42 9.908 -2.140 2.315 291 HB2 TYR 42 1HB TYR 42 12.130 -2.666 0.342 292 HB3 TYR 42 2HB TYR 42 12.010 -3.499 1.888 293 HD1 TYR 42 2HD TYR 42 10.200 -5.094 2.303 294 HD2 TYR 42 1HD TYR 42 10.620 -3.174 -1.471 295 HE1 TYR 42 2HE TYR 42 8.684 -6.750 1.298 296 HE2 TYR 42 1HE TYR 42 9.104 -4.824 -2.485 297 HH TYR 42 HH TYR 42 7.625 -6.474 -2.057 298 H PHE 43 H PHE 43 10.491 -1.234 4.162 299 HA PHE 43 HA PHE 43 12.819 0.542 4.222 300 HB2 PHE 43 1HB PHE 43 10.755 0.135 6.389 301 HB3 PHE 43 2HB PHE 43 11.919 1.449 6.255 302 HD1 PHE 43 1HD PHE 43 11.639 2.177 3.416 303 HD2 PHE 43 2HD PHE 43 8.690 1.187 6.321 304 HE1 PHE 43 1HE PHE 43 9.984 3.521 2.188 305 HE2 PHE 43 2HE PHE 43 7.029 2.527 5.096 306 HZ PHE 43 HZ PHE 43 7.675 3.696 3.027 307 H LYS 44 H LYS 44 14.599 -0.705 4.476 308 HA LYS 44 HA LYS 44 14.687 -3.013 6.145 309 HB2 LYS 44 1HB LYS 44 16.410 -1.705 4.264 310 HB3 LYS 44 2HB LYS 44 17.313 -2.030 5.738 311 HG2 LYS 44 1HG LYS 44 15.698 -4.292 4.886 312 HG3 LYS 44 2HG LYS 44 16.881 -3.792 3.674 313 HD2 LYS 44 1HD LYS 44 18.020 -3.811 6.336 314 HD3 LYS 44 2HD LYS 44 17.347 -5.385 5.907 315 HE2 LYS 44 1HE LYS 44 19.507 -5.539 5.097 316 HE3 LYS 44 2HE LYS 44 18.609 -5.029 3.668 317 HZ1 LYS 44 1HZ LYS 44 19.264 -2.713 4.227 318 HZ2 LYS 44 2HZ LYS 44 20.565 -3.714 3.818 319 HZ3 LYS 44 3HZ LYS 44 20.274 -3.326 5.439 320 H SER 45 H SER 45 14.502 0.174 6.931 321 HA SER 45 HA SER 45 16.256 -0.011 9.267 322 HB2 SER 45 1HB SER 45 14.746 2.310 8.051 323 HB3 SER 45 2HB SER 45 15.660 2.421 9.555 324 HG SER 45 HG SER 45 16.615 2.813 7.210 325 H PHE 46 H PHE 46 12.895 0.087 8.354 326 HA PHE 46 HA PHE 46 12.157 -0.142 11.198 327 HB2 PHE 46 1HB PHE 46 10.431 0.982 8.984 328 HB3 PHE 46 2HB PHE 46 10.042 0.932 10.700 329 HD1 PHE 46 2HD PHE 46 12.164 2.513 8.148 330 HD2 PHE 46 1HD PHE 46 10.902 2.555 12.212 331 HE1 PHE 46 2HE PHE 46 13.185 4.732 8.438 332 HE2 PHE 46 1HE PHE 46 11.919 4.776 12.509 333 HZ PHE 46 HZ PHE 46 13.064 5.866 10.621 334 H LYS 47 H LYS 47 12.783 -2.104 8.912 335 HA LYS 47 HA LYS 47 11.905 -4.011 7.969 336 HB2 LYS 47 1HB LYS 47 11.101 -4.138 10.871 337 HB3 LYS 47 2HB LYS 47 10.857 -5.488 9.771 338 HG2 LYS 47 1HG LYS 47 13.569 -4.295 9.921 339 HG3 LYS 47 2HG LYS 47 13.015 -5.281 11.276 340 HD2 LYS 47 1HD LYS 47 12.329 -6.956 9.380 341 HD3 LYS 47 2HD LYS 47 13.523 -6.061 8.438 342 HE2 LYS 47 1HE LYS 47 14.810 -7.745 9.344 343 HE3 LYS 47 2HE LYS 47 15.046 -6.447 10.514 344 HZ1 LYS 47 1HZ LYS 47 12.971 -8.532 10.849 345 HZ2 LYS 47 2HZ LYS 47 13.556 -7.450 12.009 346 HZ3 LYS 47 3HZ LYS 47 14.541 -8.708 11.454 347 H ARG 48 H ARG 48 10.170 -1.674 7.707 348 HA ARG 48 HA ARG 48 7.528 -2.971 7.730 349 HB2 ARG 48 1HB ARG 48 8.431 -0.189 8.175 350 HB3 ARG 48 2HB ARG 48 6.954 -0.374 7.238 351 HG2 ARG 48 1HG ARG 48 6.024 -1.756 9.076 352 HG3 ARG 48 2HG ARG 48 7.472 -1.398 10.020 353 HD2 ARG 48 1HD ARG 48 5.633 0.705 8.891 354 HD3 ARG 48 2HD ARG 48 5.499 0.057 10.525 355 HE ARG 48 HE ARG 48 8.060 0.876 10.432 356 HH11 ARG 48 2HH1 ARG 48 5.057 2.432 9.604 357 HH12 ARG 48 1HH1 ARG 48 5.623 4.022 9.996 358 HH21 ARG 48 2HH2 ARG 48 8.816 2.965 10.950 359 HH22 ARG 48 1HH2 ARG 48 7.761 4.324 10.761 360 H VAL 49 H VAL 49 6.072 -2.311 5.916 361 HA VAL 49 HA VAL 49 7.510 -1.734 3.426 362 HB VAL 49 HB VAL 49 5.542 -4.009 3.689 363 HG11 VAL 49 1HG1 VAL 49 7.370 -3.555 1.370 364 HG12 VAL 49 2HG1 VAL 49 5.833 -4.420 1.436 365 HG13 VAL 49 3HG1 VAL 49 5.857 -2.657 1.486 366 HG21 VAL 49 1HG2 VAL 49 7.389 -5.518 3.488 367 HG22 VAL 49 2HG2 VAL 49 8.522 -4.184 3.270 368 HG23 VAL 49 3HG2 VAL 49 7.727 -4.421 4.827 369 H ARG 50 H ARG 50 6.536 -0.120 2.409 370 HA ARG 50 HA ARG 50 3.701 0.402 2.964 371 HB2 ARG 50 1HB ARG 50 5.073 2.293 3.457 372 HB3 ARG 50 2HB ARG 50 5.921 2.160 1.922 373 HG2 ARG 50 1HG ARG 50 4.520 3.688 1.140 374 HG3 ARG 50 2HG ARG 50 3.262 2.451 1.202 375 HD2 ARG 50 1HD ARG 50 2.302 3.330 3.053 376 HD3 ARG 50 2HD ARG 50 3.843 3.844 3.737 377 HE ARG 50 HE ARG 50 2.048 5.443 2.253 378 HH11 ARG 50 2HH1 ARG 50 5.450 4.839 2.685 379 HH12 ARG 50 1HH1 ARG 50 5.925 6.441 2.227 380 HH21 ARG 50 2HH2 ARG 50 2.662 7.555 1.648 381 HH22 ARG 50 1HH2 ARG 50 4.338 7.986 1.638 382 H ILE 51 H ILE 51 2.253 -0.150 1.487 383 HA ILE 51 HA ILE 51 3.131 -0.435 -1.310 384 HB ILE 51 HB ILE 51 0.798 -1.787 0.051 385 HG12 ILE 51 1HG1 ILE 51 2.721 -3.637 -0.912 386 HG13 ILE 51 2HG1 ILE 51 3.593 -2.420 0.014 387 HG21 ILE 51 1HG2 ILE 51 1.923 -2.565 -2.604 388 HG22 ILE 51 2HG2 ILE 51 0.315 -2.849 -1.941 389 HG23 ILE 51 3HG2 ILE 51 0.769 -1.236 -2.490 390 HD11 ILE 51 1HD1 ILE 51 2.902 -3.296 1.923 391 HD12 ILE 51 2HD1 ILE 51 1.217 -3.244 1.405 392 HD13 ILE 51 3HD1 ILE 51 2.224 -4.632 0.995 393 H ASN 52 H ASN 52 2.608 1.382 -2.361 394 HA ASN 52 HA ASN 52 0.128 2.779 -1.745 395 HB2 ASN 52 1HB ASN 52 2.688 3.540 -2.744 396 HB3 ASN 52 2HB ASN 52 1.484 3.956 -3.960 397 HD21 ASN 52 2HD2 ASN 52 2.847 4.737 -0.943 398 HD22 ASN 52 1HD2 ASN 52 1.832 6.084 -0.569 399 H PHE 53 H PHE 53 -1.686 2.543 -2.870 400 HA PHE 53 HA PHE 53 -1.576 1.052 -5.396 401 HB2 PHE 53 1HB PHE 53 -3.970 1.588 -3.626 402 HB3 PHE 53 2HB PHE 53 -3.917 0.516 -5.022 403 HD1 PHE 53 2HD PHE 53 -2.137 1.032 -1.783 404 HD2 PHE 53 1HD PHE 53 -3.680 -1.729 -4.632 405 HE1 PHE 53 2HE PHE 53 -1.490 -0.835 -0.318 406 HE2 PHE 53 1HE PHE 53 -3.036 -3.600 -3.170 407 HZ PHE 53 HZ PHE 53 -1.939 -3.155 -1.011 408 H SER 54 H SER 54 -3.719 1.676 -6.744 409 HA SER 54 HA SER 54 -3.389 4.532 -7.325 410 HB2 SER 54 1HB SER 54 -2.983 2.869 -9.148 411 HB3 SER 54 2HB SER 54 -4.680 2.400 -9.043 412 HG SER 54 HG SER 54 -4.872 4.905 -9.295 413 H ASN 55 H ASN 55 -5.342 2.748 -5.485 414 HA ASN 55 HA ASN 55 -7.363 4.695 -5.292 415 HB2 ASN 55 1HB ASN 55 -9.114 2.705 -6.018 416 HB3 ASN 55 2HB ASN 55 -8.670 4.081 -7.023 417 HD21 ASN 55 2HD2 ASN 55 -6.766 1.247 -6.122 418 HD22 ASN 55 1HD2 ASN 55 -6.534 0.670 -7.734 419 HA PRO 56 HA PRO 56 -7.855 2.667 -1.428 420 HB2 PRO 56 1HB PRO 56 -10.350 3.493 -0.748 421 HB3 PRO 56 2HB PRO 56 -8.943 4.563 -0.719 422 HG2 PRO 56 1HG PRO 56 -11.067 4.283 -2.811 423 HG3 PRO 56 2HG PRO 56 -10.329 5.757 -2.154 424 HD2 PRO 56 1HD PRO 56 -9.595 4.695 -4.535 425 HD3 PRO 56 2HD PRO 56 -8.457 5.561 -3.484 426 H LEU 57 H LEU 57 -9.972 2.028 -4.068 427 HA LEU 57 HA LEU 57 -11.690 0.136 -2.887 428 HB2 LEU 57 1HB LEU 57 -10.740 0.123 -5.742 429 HB3 LEU 57 2HB LEU 57 -12.246 -0.536 -5.107 430 HG LEU 57 HG LEU 57 -11.954 2.329 -4.632 431 HD11 LEU 57 1HD1 LEU 57 -11.932 3.142 -6.776 432 HD12 LEU 57 2HD1 LEU 57 -12.470 1.617 -7.479 433 HD13 LEU 57 3HD1 LEU 57 -10.806 1.794 -6.923 434 HD21 LEU 57 1HD2 LEU 57 -14.205 2.322 -4.952 435 HD22 LEU 57 2HD2 LEU 57 -13.983 0.615 -4.564 436 HD23 LEU 57 3HD2 LEU 57 -14.132 1.126 -6.246 437 H SER 58 H SER 58 -8.827 -0.422 -4.947 438 HA SER 58 HA SER 58 -8.701 -3.186 -4.572 439 HB2 SER 58 1HB SER 58 -7.186 -1.233 -5.923 440 HB3 SER 58 2HB SER 58 -6.054 -2.072 -4.864 441 HG SER 58 HG SER 58 -7.877 -3.480 -6.498 442 H ALA 59 H ALA 59 -6.901 -0.611 -2.894 443 HA ALA 59 HA ALA 59 -5.329 -2.005 -1.190 444 HB1 ALA 59 1HB ALA 59 -5.727 -0.171 0.482 445 HB2 ALA 59 2HB ALA 59 -5.274 0.367 -1.135 446 HB3 ALA 59 3HB ALA 59 -6.956 0.460 -0.615 447 H ALA 60 H ALA 60 -8.812 -1.710 -1.023 448 HA ALA 60 HA ALA 60 -9.100 -2.780 1.603 449 HB1 ALA 60 1HB ALA 60 -11.479 -3.290 0.287 450 HB2 ALA 60 2HB ALA 60 -11.088 -1.849 1.227 451 HB3 ALA 60 3HB ALA 60 -10.843 -1.856 -0.520 452 H ASP 61 H ASP 61 -10.017 -4.209 -1.537 453 HA ASP 61 HA ASP 61 -10.514 -6.773 -0.731 454 HB2 ASP 61 1HB ASP 61 -10.367 -5.528 -3.149 455 HB3 ASP 61 2HB ASP 61 -8.980 -6.610 -3.245 456 H ALA 62 H ALA 62 -7.412 -5.222 -1.117 457 HA ALA 62 HA ALA 62 -5.804 -7.549 -1.098 458 HB1 ALA 62 1HB ALA 62 -5.263 -4.665 -0.476 459 HB2 ALA 62 2HB ALA 62 -4.016 -5.900 -0.300 460 HB3 ALA 62 3HB ALA 62 -4.754 -5.612 -1.875 461 H ARG 63 H ARG 63 -6.729 -5.295 1.499 462 HA ARG 63 HA ARG 63 -5.372 -6.445 3.606 463 HB2 ARG 63 1HB ARG 63 -6.917 -4.335 3.485 464 HB3 ARG 63 2HB ARG 63 -8.173 -5.453 4.002 465 HG2 ARG 63 1HG ARG 63 -7.168 -5.828 6.062 466 HG3 ARG 63 2HG ARG 63 -5.596 -5.247 5.507 467 HD2 ARG 63 1HD ARG 63 -6.373 -3.506 6.839 468 HD3 ARG 63 2HD ARG 63 -6.781 -2.982 5.206 469 HE ARG 63 HE ARG 63 -9.001 -3.128 5.748 470 HH11 ARG 63 2HH1 ARG 63 -7.121 -4.805 8.151 471 HH12 ARG 63 1HH1 ARG 63 -8.465 -5.052 9.217 472 HH21 ARG 63 2HH2 ARG 63 -10.777 -3.447 7.144 473 HH22 ARG 63 1HH2 ARG 63 -10.544 -4.280 8.643 474 H LEU 64 H LEU 64 -8.676 -7.207 2.513 475 HA LEU 64 HA LEU 64 -9.177 -9.248 4.366 476 HB2 LEU 64 1HB LEU 64 -11.124 -9.550 3.265 477 HB3 LEU 64 2HB LEU 64 -10.672 -8.004 2.550 478 HG LEU 64 HG LEU 64 -9.607 -9.458 0.686 479 HD11 LEU 64 1HD1 LEU 64 -10.014 -11.650 0.612 480 HD12 LEU 64 2HD1 LEU 64 -11.692 -11.448 1.112 481 HD13 LEU 64 3HD1 LEU 64 -10.412 -11.503 2.324 482 HD21 LEU 64 1HD2 LEU 64 -12.595 -9.561 0.741 483 HD22 LEU 64 2HD2 LEU 64 -11.511 -9.171 -0.595 484 HD23 LEU 64 3HD2 LEU 64 -11.759 -8.007 0.708 485 H ARG 65 H ARG 65 -7.615 -9.299 1.213 486 HA ARG 65 HA ARG 65 -7.416 -12.163 1.118 487 HB2 ARG 65 1HB ARG 65 -6.475 -9.890 -0.563 488 HB3 ARG 65 2HB ARG 65 -5.640 -11.430 -0.724 489 HG2 ARG 65 1HG ARG 65 -8.366 -12.046 -0.792 490 HG3 ARG 65 2HG ARG 65 -8.172 -10.606 -1.793 491 HD2 ARG 65 1HD ARG 65 -6.826 -11.674 -3.308 492 HD3 ARG 65 2HD ARG 65 -6.219 -12.825 -2.118 493 HE ARG 65 HE ARG 65 -8.956 -13.296 -2.551 494 HH11 ARG 65 2HH1 ARG 65 -5.886 -13.600 -4.163 495 HH12 ARG 65 1HH1 ARG 65 -6.386 -14.937 -5.144 496 HH21 ARG 65 2HH2 ARG 65 -9.627 -15.057 -3.837 497 HH22 ARG 65 1HH2 ARG 65 -8.514 -15.764 -4.959 498 H LEU 66 H LEU 66 -5.546 -9.575 2.432 499 HA LEU 66 HA LEU 66 -3.362 -11.460 3.034 500 HB2 LEU 66 1HB LEU 66 -3.106 -8.468 3.043 501 HB3 LEU 66 2HB LEU 66 -1.822 -9.674 3.034 502 HG LEU 66 HG LEU 66 -3.699 -9.237 0.718 503 HD11 LEU 66 1HD1 LEU 66 -0.916 -8.134 1.066 504 HD12 LEU 66 2HD1 LEU 66 -2.398 -7.192 1.225 505 HD13 LEU 66 3HD1 LEU 66 -1.980 -7.921 -0.326 506 HD21 LEU 66 1HD2 LEU 66 -1.022 -10.293 0.252 507 HD22 LEU 66 2HD2 LEU 66 -2.586 -10.871 -0.323 508 HD23 LEU 66 3HD2 LEU 66 -2.012 -11.326 1.282 509 H HIS 67 H HIS 67 -2.222 -9.416 4.869 510 HA HIS 67 HA HIS 67 -2.454 -8.615 7.017 511 HB2 HIS 67 1HB HIS 67 -4.997 -8.468 6.285 512 HB3 HIS 67 2HB HIS 67 -5.152 -9.843 7.375 513 HD1 HIS 67 1HD HIS 67 -2.571 -7.810 8.738 514 HD2 HIS 67 2HD HIS 67 -6.721 -7.610 8.683 515 HE1 HIS 67 1HE HIS 67 -3.195 -6.269 10.625 516 H LYS 68 H LYS 68 -4.068 -10.153 9.015 517 HA LYS 68 HA LYS 68 -2.259 -11.719 10.204 518 HB2 LYS 68 1HB LYS 68 -5.216 -12.280 9.943 519 HB3 LYS 68 2HB LYS 68 -4.162 -13.141 11.057 520 HG2 LYS 68 1HG LYS 68 -4.300 -11.513 12.553 521 HG3 LYS 68 2HG LYS 68 -3.850 -10.295 11.357 522 HD2 LYS 68 1HD LYS 68 -6.055 -9.842 12.332 523 HD3 LYS 68 2HD LYS 68 -6.161 -10.163 10.598 524 HE2 LYS 68 1HE LYS 68 -6.932 -12.401 11.007 525 HE3 LYS 68 2HE LYS 68 -6.654 -12.228 12.738 526 HZ1 LYS 68 1HZ LYS 68 -9.006 -11.978 12.068 527 HZ2 LYS 68 2HZ LYS 68 -8.589 -10.590 11.195 528 HZ3 LYS 68 3HZ LYS 68 -8.396 -10.622 12.876 529 H THR 69 H THR 69 -4.031 -12.557 7.320 530 HA THR 69 HA THR 69 -3.954 -15.196 7.010 531 HB THR 69 HB THR 69 -3.254 -14.905 4.631 532 HG1 THR 69 1HG THR 69 -2.589 -12.352 5.627 533 HG21 THR 69 1HG2 THR 69 -5.046 -12.731 4.587 534 HG22 THR 69 2HG2 THR 69 -5.489 -13.719 5.979 535 HG23 THR 69 3HG2 THR 69 -5.417 -14.441 4.372 536 H GLU 70 H GLU 70 -2.556 -16.837 7.119 537 HA GLU 70 HA GLU 70 0.103 -16.450 7.979 538 HB2 GLU 70 1HB GLU 70 -1.639 -18.726 7.349 539 HB3 GLU 70 2HB GLU 70 0.066 -19.028 7.045 540 HG2 GLU 70 1HG GLU 70 0.648 -18.679 9.281 541 HG3 GLU 70 2HG GLU 70 -0.886 -17.891 9.647 542 H PHE 71 H PHE 71 1.264 -15.210 6.538 543 HA PHE 71 HA PHE 71 1.419 -15.921 3.749 544 HB2 PHE 71 1HB PHE 71 1.577 -13.601 4.173 545 HB3 PHE 71 2HB PHE 71 2.768 -13.834 5.449 546 HD1 PHE 71 1HD PHE 71 2.226 -13.865 1.809 547 HD2 PHE 71 2HD PHE 71 5.084 -13.994 4.961 548 HE1 PHE 71 1HE PHE 71 4.033 -13.489 0.182 549 HE2 PHE 71 2HE PHE 71 6.896 -13.617 3.338 550 HZ PHE 71 HZ PHE 71 6.370 -13.364 0.945 551 H LEU 72 H LEU 72 2.493 -17.713 3.216 552 HA LEU 72 HA LEU 72 4.155 -19.249 3.002 553 HB2 LEU 72 1HB LEU 72 5.886 -17.040 4.104 554 HB3 LEU 72 2HB LEU 72 6.457 -18.488 3.278 555 HG LEU 72 HG LEU 72 5.042 -16.102 2.128 556 HD11 LEU 72 1HD1 LEU 72 7.729 -17.219 2.094 557 HD12 LEU 72 2HD1 LEU 72 7.170 -15.595 1.694 558 HD13 LEU 72 3HD1 LEU 72 7.102 -16.874 0.482 559 HD21 LEU 72 1HD2 LEU 72 5.316 -17.655 -0.023 560 HD22 LEU 72 2HD2 LEU 72 3.841 -17.619 0.944 561 HD23 LEU 72 3HD2 LEU 72 5.021 -18.908 1.183 562 H GLY 73 H GLY 73 2.675 -18.899 5.578 563 HA2 GLY 73 1HA GLY 73 2.763 -20.562 7.309 564 HA3 GLY 73 2HA GLY 73 4.518 -20.509 7.215 565 H LYS 74 H LYS 74 4.400 -17.509 7.107 566 HA LYS 74 HA LYS 74 4.158 -17.116 10.003 567 HB2 LYS 74 1HB LYS 74 5.549 -15.434 7.910 568 HB3 LYS 74 2HB LYS 74 5.538 -15.102 9.637 569 HG2 LYS 74 1HG LYS 74 6.540 -17.733 8.655 570 HG3 LYS 74 2HG LYS 74 7.568 -16.303 8.540 571 HD2 LYS 74 1HD LYS 74 7.441 -15.952 10.913 572 HD3 LYS 74 2HD LYS 74 6.242 -17.234 11.084 573 HE2 LYS 74 1HE LYS 74 8.465 -18.361 9.765 574 HE3 LYS 74 2HE LYS 74 9.099 -17.411 11.109 575 HZ1 LYS 74 1HZ LYS 74 8.678 -19.351 12.177 576 HZ2 LYS 74 2HZ LYS 74 7.410 -19.796 11.150 577 HZ3 LYS 74 3HZ LYS 74 7.154 -18.643 12.362 578 H GLU 75 H GLU 75 2.915 -15.503 10.896 579 HA GLU 75 HA GLU 75 0.734 -14.549 9.251 580 HB2 GLU 75 1HB GLU 75 0.174 -15.381 11.438 581 HB3 GLU 75 2HB GLU 75 1.325 -14.295 12.201 582 HG2 GLU 75 1HG GLU 75 -0.271 -12.544 10.866 583 HG3 GLU 75 2HG GLU 75 -1.414 -13.810 11.307 584 H MET 76 H MET 76 0.653 -12.631 8.296 585 HA MET 76 HA MET 76 2.597 -10.582 9.102 586 HB2 MET 76 1HB MET 76 2.994 -10.868 6.862 587 HB3 MET 76 2HB MET 76 1.333 -11.331 6.516 588 HG2 MET 76 1HG MET 76 0.635 -9.003 6.734 589 HG3 MET 76 2HG MET 76 2.298 -8.538 7.083 590 HE1 MET 76 1HE MET 76 -0.281 -9.766 4.817 591 HE2 MET 76 2HE MET 76 0.230 -9.288 3.199 592 HE3 MET 76 3HE MET 76 0.722 -10.851 3.853 593 H LYS 77 H LYS 77 1.900 -8.326 9.024 594 HA LYS 77 HA LYS 77 -0.933 -8.040 9.786 595 HB2 LYS 77 1HB LYS 77 1.563 -7.006 10.977 596 HB3 LYS 77 2HB LYS 77 0.247 -5.844 10.868 597 HG2 LYS 77 1HG LYS 77 -1.211 -7.431 12.068 598 HG3 LYS 77 2HG LYS 77 0.165 -8.523 12.241 599 HD2 LYS 77 1HD LYS 77 0.935 -5.918 13.117 600 HD3 LYS 77 2HD LYS 77 -0.579 -6.361 13.908 601 HE2 LYS 77 1HE LYS 77 0.874 -7.325 15.368 602 HE3 LYS 77 2HE LYS 77 0.714 -8.660 14.228 603 HZ1 LYS 77 1HZ LYS 77 2.748 -6.884 13.384 604 HZ2 LYS 77 2HZ LYS 77 2.860 -8.529 13.759 605 HZ3 LYS 77 3HZ LYS 77 3.039 -7.370 14.978 606 H LEU 78 H LEU 78 -1.781 -5.777 9.456 607 HA LEU 78 HA LEU 78 -0.540 -4.276 7.308 608 HB2 LEU 78 1HB LEU 78 -2.896 -6.009 6.946 609 HB3 LEU 78 2HB LEU 78 -3.033 -4.385 6.276 610 HG LEU 78 HG LEU 78 -0.629 -6.022 5.609 611 HD11 LEU 78 1HD1 LEU 78 -2.825 -6.307 3.714 612 HD12 LEU 78 2HD1 LEU 78 -3.121 -7.109 5.256 613 HD13 LEU 78 3HD1 LEU 78 -1.682 -7.506 4.318 614 HD21 LEU 78 1HD2 LEU 78 -0.433 -4.607 3.828 615 HD22 LEU 78 2HD2 LEU 78 -1.246 -3.534 4.969 616 HD23 LEU 78 3HD2 LEU 78 -2.172 -4.342 3.702 617 H TYR 79 H TYR 79 -1.052 -2.147 7.366 618 HA TYR 79 HA TYR 79 -3.252 -1.318 9.137 619 HB2 TYR 79 1HB TYR 79 -0.427 -0.258 9.072 620 HB3 TYR 79 2HB TYR 79 -1.759 0.624 9.811 621 HD1 TYR 79 1HD TYR 79 -0.032 -2.679 9.932 622 HD2 TYR 79 2HD TYR 79 -2.285 0.249 12.044 623 HE1 TYR 79 1HE TYR 79 0.305 -3.934 12.021 624 HE2 TYR 79 2HE TYR 79 -1.952 -0.997 14.139 625 HH TYR 79 HH TYR 79 -1.165 -4.029 14.368 626 H PHE 80 H PHE 80 -4.461 0.388 8.456 627 HA PHE 80 HA PHE 80 -4.368 1.078 5.706 628 HB2 PHE 80 1HB PHE 80 -6.099 1.649 8.008 629 HB3 PHE 80 2HB PHE 80 -6.021 2.957 6.831 630 HD1 PHE 80 1HD PHE 80 -5.983 1.821 4.279 631 HD2 PHE 80 2HD PHE 80 -7.970 0.363 7.749 632 HE1 PHE 80 1HE PHE 80 -7.599 0.636 2.851 633 HE2 PHE 80 2HE PHE 80 -9.587 -0.826 6.328 634 HZ PHE 80 HZ PHE 80 -9.402 -0.692 3.876 635 H ALA 81 H ALA 81 -2.328 1.994 5.330 636 HA ALA 81 HA ALA 81 -0.987 3.946 6.655 637 HB1 ALA 81 1HB ALA 81 -0.548 2.747 4.348 638 HB2 ALA 81 2HB ALA 81 -1.178 4.264 3.705 639 HB3 ALA 81 3HB ALA 81 0.239 4.272 4.754 640 H GLN 82 H GLN 82 -0.882 6.228 6.565 641 HA GLN 82 HA GLN 82 -2.972 7.725 5.265 642 HB2 GLN 82 1HB GLN 82 -4.073 8.569 7.174 643 HB3 GLN 82 2HB GLN 82 -3.981 6.832 7.422 644 HG2 GLN 82 1HG GLN 82 -1.814 7.389 8.731 645 HG3 GLN 82 2HG GLN 82 -2.488 9.017 8.798 646 HE21 GLN 82 2HE2 GLN 82 -4.826 9.081 9.521 647 HE22 GLN 82 1HE2 GLN 82 -5.244 8.072 10.859 648 H THR 83 H THR 83 -2.810 10.123 6.016 649 HA THR 83 HA THR 83 -0.071 10.900 5.637 650 HB THR 83 HB THR 83 -0.904 13.194 5.592 651 HG1 THR 83 1HG THR 83 -2.510 13.030 7.207 652 HG21 THR 83 1HG2 THR 83 -1.354 12.662 3.469 653 HG22 THR 83 2HG2 THR 83 -3.029 12.430 3.967 654 HG23 THR 83 3HG2 THR 83 -1.923 11.057 3.922 655 H LEU 84 H LEU 84 0.816 12.755 7.002 656 HA LEU 84 HA LEU 84 1.496 11.947 9.500 657 HB2 LEU 84 1HB LEU 84 1.072 14.813 8.667 658 HB3 LEU 84 2HB LEU 84 2.064 14.262 10.016 659 HG LEU 84 HG LEU 84 3.341 12.959 8.120 660 HD11 LEU 84 1HD1 LEU 84 2.464 13.352 6.102 661 HD12 LEU 84 2HD1 LEU 84 3.275 14.914 6.216 662 HD13 LEU 84 3HD1 LEU 84 1.574 14.769 6.659 663 HD21 LEU 84 1HD2 LEU 84 3.550 15.780 9.036 664 HD22 LEU 84 2HD2 LEU 84 4.606 15.241 7.729 665 HD23 LEU 84 3HD2 LEU 84 4.647 14.421 9.292 666 H HIS 85 H HIS 85 0.783 12.256 11.600 667 HA HIS 85 HA HIS 85 -1.745 13.617 12.062 668 HB2 HIS 85 1HB HIS 85 -1.703 10.848 11.635 669 HB3 HIS 85 2HB HIS 85 -1.827 11.040 13.382 670 HD1 HIS 85 1HD HIS 85 -3.575 12.337 10.260 671 HD2 HIS 85 2HD HIS 85 -4.363 11.438 14.240 672 HE1 HIS 85 1HE HIS 85 -6.053 12.663 10.546 673 H ILE 86 H ILE 86 0.869 14.253 12.877 674 HA ILE 86 HA ILE 86 1.153 13.404 15.637 675 HB ILE 86 HB ILE 86 3.193 13.654 14.394 676 HG12 ILE 86 1HG1 ILE 86 3.333 16.119 16.050 677 HG13 ILE 86 2HG1 ILE 86 2.820 14.642 16.859 678 HG21 ILE 86 1HG2 ILE 86 2.190 16.429 13.820 679 HG22 ILE 86 2HG2 ILE 86 3.875 15.961 13.606 680 HG23 ILE 86 3HG2 ILE 86 2.613 15.160 12.671 681 HD11 ILE 86 1HD1 ILE 86 5.360 14.921 15.274 682 HD12 ILE 86 2HD1 ILE 86 5.242 15.081 17.026 683 HD13 ILE 86 3HD1 ILE 86 4.862 13.542 16.254 684 H GLY 87 H GLY 87 -0.489 15.829 13.955 685 HA2 GLY 87 1HA GLY 87 -1.966 17.373 14.920 686 HA3 GLY 87 2HA GLY 87 -1.148 17.158 16.461 687 H SER 88 H SER 88 1.362 17.828 16.125 688 HA SER 88 HA SER 88 1.246 20.582 15.087 689 HB2 SER 88 1HB SER 88 2.846 19.397 17.362 690 HB3 SER 88 2HB SER 88 3.126 21.015 16.720 691 HG SER 88 HG SER 88 1.684 21.461 18.222 692 H SER 89 H SER 89 3.133 21.452 14.084 693 HA SER 89 HA SER 89 4.545 19.469 12.504 694 HB2 SER 89 1HB SER 89 5.443 21.497 11.306 695 HB3 SER 89 2HB SER 89 3.685 21.355 11.288 696 HG SER 89 HG SER 89 4.953 23.442 11.992 697 H HIS 90 H HIS 90 5.532 22.347 14.371 698 HA HIS 90 HA HIS 90 7.425 22.829 15.538 699 HB2 HIS 90 1HB HIS 90 6.904 19.985 16.040 700 HB3 HIS 90 2HB HIS 90 8.583 20.455 16.290 701 HD1 HIS 90 1HD HIS 90 5.127 21.037 17.617 702 HD2 HIS 90 2HD HIS 90 9.050 22.082 18.504 703 HE1 HIS 90 1HE HIS 90 5.047 22.063 19.911 704 H LEU 91 H LEU 91 8.898 23.712 14.218 705 HA LEU 91 HA LEU 91 10.363 22.041 12.333 706 HB2 LEU 91 1HB LEU 91 9.364 24.487 12.024 707 HB3 LEU 91 2HB LEU 91 10.953 24.933 12.645 708 HG LEU 91 HG LEU 91 10.651 23.103 10.283 709 HD11 LEU 91 1HD1 LEU 91 11.321 25.644 9.345 710 HD12 LEU 91 2HD1 LEU 91 9.947 25.890 10.421 711 HD13 LEU 91 3HD1 LEU 91 9.818 24.763 9.070 712 HD21 LEU 91 1HD2 LEU 91 12.839 24.831 11.407 713 HD22 LEU 91 2HD2 LEU 91 12.893 24.169 9.774 714 HD23 LEU 91 3HD2 LEU 91 12.837 23.085 11.165 715 H ALA 92 H ALA 92 12.054 20.983 13.140 716 HA ALA 92 HA ALA 92 13.504 21.850 15.437 717 HB1 ALA 92 1HB ALA 92 13.601 19.556 13.584 718 HB2 ALA 92 2HB ALA 92 15.111 19.961 14.400 719 HB3 ALA 92 3HB ALA 92 13.667 19.599 15.346 720 HA PRO 93 HA PRO 93 16.443 24.539 13.559 721 HB2 PRO 93 1HB PRO 93 18.403 24.394 15.432 722 HB3 PRO 93 2HB PRO 93 16.895 25.281 15.686 723 HG2 PRO 93 1HG PRO 93 17.662 22.542 16.618 724 HG3 PRO 93 2HG PRO 93 16.823 23.831 17.502 725 HD2 PRO 93 1HD PRO 93 15.516 21.733 16.397 726 HD3 PRO 93 2HD PRO 93 14.791 23.348 16.528 727 HA PRO 94 HA PRO 94 19.287 22.047 11.295 728 HB2 PRO 94 1HB PRO 94 21.098 23.941 10.584 729 HB3 PRO 94 2HB PRO 94 19.490 23.830 9.860 730 HG2 PRO 94 1HG PRO 94 20.465 25.639 12.037 731 HG3 PRO 94 2HG PRO 94 19.428 26.017 10.648 732 HD2 PRO 94 1HD PRO 94 18.440 25.610 13.136 733 HD3 PRO 94 2HD PRO 94 17.541 25.175 11.668 734 H ASN 95 H ASN 95 21.416 21.175 11.343 735 HA ASN 95 HA ASN 95 23.322 22.026 13.307 736 HB2 ASN 95 1HB ASN 95 21.333 20.322 14.240 737 HB3 ASN 95 2HB ASN 95 22.690 19.248 13.909 738 HD21 ASN 95 2HD2 ASN 95 21.608 22.018 15.738 739 HD22 ASN 95 1HD2 ASN 95 22.845 21.949 16.942 740 HA PRO 96 HA PRO 96 25.063 19.831 9.642 741 HB2 PRO 96 1HB PRO 96 27.075 21.614 9.264 742 HB3 PRO 96 2HB PRO 96 25.453 21.839 8.597 743 HG2 PRO 96 1HG PRO 96 26.673 23.032 11.057 744 HG3 PRO 96 2HG PRO 96 25.668 23.806 9.819 745 HD2 PRO 96 1HD PRO 96 24.678 23.004 12.208 746 HD3 PRO 96 2HD PRO 96 23.710 22.990 10.721 747 H ASP 97 H ASP 97 26.704 18.382 9.688 748 HA ASP 97 HA ASP 97 28.300 18.255 12.133 749 HB2 ASP 97 1HB ASP 97 26.930 16.292 11.071 750 HB3 ASP 97 2HB ASP 97 28.330 16.137 10.013 751 H LYS 98 H LYS 98 30.444 18.569 12.193 752 HA LYS 98 HA LYS 98 31.761 19.380 9.715 753 HB2 LYS 98 1HB LYS 98 31.779 20.516 12.179 754 HB3 LYS 98 2HB LYS 98 33.237 19.537 12.270 755 HG2 LYS 98 1HG LYS 98 33.511 20.724 9.831 756 HG3 LYS 98 2HG LYS 98 32.703 21.983 10.766 757 HD2 LYS 98 1HD LYS 98 34.513 22.357 12.047 758 HD3 LYS 98 2HD LYS 98 34.889 20.638 12.185 759 HE2 LYS 98 1HE LYS 98 35.477 21.072 9.582 760 HE3 LYS 98 2HE LYS 98 35.865 22.650 10.266 761 HZ1 LYS 98 1HZ LYS 98 37.142 21.273 12.004 762 HZ2 LYS 98 2HZ LYS 98 37.833 21.494 10.477 763 HZ3 LYS 98 3HZ LYS 98 37.075 20.031 10.858 764 H SER 99 H SER 99 34.337 18.879 10.041 765 HA SER 99 HA SER 99 35.941 17.291 9.750 766 HB2 SER 99 1HB SER 99 34.318 16.151 12.004 767 HB3 SER 99 2HB SER 99 35.645 15.216 11.313 768 HG SER 99 HG SER 99 36.989 16.453 12.336 769 H GLY 100 H GLY 100 36.047 16.253 7.877 770 HA2 GLY 100 1HA GLY 100 34.443 13.871 7.452 771 HA3 GLY 100 2HA GLY 100 34.131 15.188 6.331 772 HA PRO 101 HA PRO 101 37.513 14.032 3.801 773 HB2 PRO 101 1HB PRO 101 38.724 16.387 3.203 774 HB3 PRO 101 2HB PRO 101 37.149 15.923 2.549 775 HG2 PRO 101 1HG PRO 101 37.787 17.729 4.851 776 HG3 PRO 101 2HG PRO 101 36.590 17.943 3.559 777 HD2 PRO 101 1HD PRO 101 35.922 17.077 6.036 778 HD3 PRO 101 2HD PRO 101 35.059 16.551 4.577 779 H SER 102 H SER 102 39.973 14.432 3.449 780 HA SER 102 HA SER 102 41.636 15.344 5.492 781 HB2 SER 102 1HB SER 102 42.357 13.158 6.479 782 HB3 SER 102 2HB SER 102 40.710 13.619 6.910 783 HG SER 102 HG SER 102 40.284 11.675 6.206 784 H SER 103 H SER 103 43.898 14.599 5.235 785 HA SER 103 HA SER 103 44.642 14.568 2.523 786 HB2 SER 103 1HB SER 103 45.944 15.123 4.842 787 HB3 SER 103 2HB SER 103 46.630 13.544 4.458 788 HG SER 103 HG SER 103 47.848 14.601 3.121 789 H GLY 104 H GLY 104 46.094 12.898 1.530 790 HA2 GLY 104 1HA GLY 104 44.749 10.451 1.291 791 HA3 GLY 104 2HA GLY 104 46.373 10.775 0.706 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -3.583 14.253 0.402 2 HA2 GLY 1 1HA GLY 1 -1.350 13.082 0.634 3 HA3 GLY 1 2HA GLY 1 -2.403 12.389 -0.589 4 H SER 2 H SER 2 0.660 13.446 -0.005 5 HA SER 2 HA SER 2 1.153 14.361 -2.741 6 HB2 SER 2 1HB SER 2 2.107 15.426 -0.518 7 HB3 SER 2 2HB SER 2 3.323 14.159 -0.693 8 HG SER 2 HG SER 2 2.716 15.663 -2.955 9 H SER 3 H SER 3 1.280 12.662 -4.091 10 HA SER 3 HA SER 3 1.983 10.721 -5.049 11 HB2 SER 3 1HB SER 3 4.444 11.265 -3.371 12 HB3 SER 3 2HB SER 3 4.361 10.133 -4.720 13 HG SER 3 HG SER 3 3.660 12.846 -5.042 14 H GLY 4 H GLY 4 0.732 9.070 -4.391 15 HA2 GLY 4 1HA GLY 4 1.425 6.884 -3.108 16 HA3 GLY 4 2HA GLY 4 1.141 7.932 -1.725 17 H SER 5 H SER 5 -0.959 8.548 -1.198 18 HA SER 5 HA SER 5 -3.202 8.257 -0.957 19 HB2 SER 5 1HB SER 5 -3.237 7.630 -3.914 20 HB3 SER 5 2HB SER 5 -4.560 8.266 -2.936 21 HG SER 5 HG SER 5 -3.485 10.197 -2.754 22 H SER 6 H SER 6 -4.894 6.658 -0.852 23 HA SER 6 HA SER 6 -5.394 4.533 -0.083 24 HB2 SER 6 1HB SER 6 -5.743 3.006 -1.957 25 HB3 SER 6 2HB SER 6 -6.210 4.642 -2.418 26 HG SER 6 HG SER 6 -3.960 4.757 -3.276 27 H GLY 7 H GLY 7 -2.851 5.051 0.765 28 HA2 GLY 7 1HA GLY 7 -1.063 2.940 -0.079 29 HA3 GLY 7 2HA GLY 7 -0.763 4.122 1.188 30 H LEU 8 H LEU 8 -0.039 1.498 1.539 31 HA LEU 8 HA LEU 8 -1.698 0.788 3.819 32 HB2 LEU 8 1HB LEU 8 -1.370 -0.882 1.377 33 HB3 LEU 8 2HB LEU 8 -1.432 -1.685 2.945 34 HG LEU 8 HG LEU 8 -3.586 0.183 1.975 35 HD11 LEU 8 1HD1 LEU 8 -4.335 -1.376 0.594 36 HD12 LEU 8 2HD1 LEU 8 -4.430 -2.521 1.932 37 HD13 LEU 8 3HD1 LEU 8 -2.951 -2.399 0.980 38 HD21 LEU 8 1HD2 LEU 8 -4.705 -0.337 3.858 39 HD22 LEU 8 2HD2 LEU 8 -3.096 -0.714 4.476 40 HD23 LEU 8 3HD2 LEU 8 -4.131 -2.005 3.865 41 H ILE 9 H ILE 9 -0.474 0.205 5.494 42 HA ILE 9 HA ILE 9 2.380 -0.229 5.036 43 HB ILE 9 HB ILE 9 0.990 0.104 7.690 44 HG12 ILE 9 1HG1 ILE 9 0.657 2.030 6.049 45 HG13 ILE 9 2HG1 ILE 9 1.386 2.439 7.598 46 HG21 ILE 9 1HG2 ILE 9 3.843 0.162 6.776 47 HG22 ILE 9 2HG2 ILE 9 3.342 0.960 8.265 48 HG23 ILE 9 3HG2 ILE 9 3.113 -0.778 8.078 49 HD11 ILE 9 1HD1 ILE 9 2.419 3.515 5.587 50 HD12 ILE 9 2HD1 ILE 9 3.535 2.634 6.631 51 HD13 ILE 9 3HD1 ILE 9 2.991 1.915 5.116 52 H ALA 10 H ALA 10 2.758 -2.318 4.547 53 HA ALA 10 HA ALA 10 1.414 -4.429 6.049 54 HB1 ALA 10 1HB ALA 10 2.879 -5.849 4.394 55 HB2 ALA 10 2HB ALA 10 1.404 -5.052 3.845 56 HB3 ALA 10 3HB ALA 10 2.975 -4.322 3.517 57 H CYS 11 H CYS 11 2.309 -5.339 7.772 58 HA CYS 11 HA CYS 11 5.179 -4.947 8.243 59 HB2 CYS 11 1HB CYS 11 3.170 -4.352 9.907 60 HB3 CYS 11 2HB CYS 11 3.408 -6.032 10.372 61 HG CYS 11 HG CYS 11 5.551 -3.416 10.721 62 H VAL 12 H VAL 12 6.336 -6.597 7.471 63 HA VAL 12 HA VAL 12 5.285 -9.323 7.701 64 HB VAL 12 HB VAL 12 7.858 -8.744 6.312 65 HG11 VAL 12 1HG1 VAL 12 7.069 -10.518 4.829 66 HG12 VAL 12 2HG1 VAL 12 7.040 -11.038 6.515 67 HG13 VAL 12 3HG1 VAL 12 5.540 -10.578 5.708 68 HG21 VAL 12 1HG2 VAL 12 6.719 -8.088 4.273 69 HG22 VAL 12 2HG2 VAL 12 5.160 -8.162 5.093 70 HG23 VAL 12 3HG2 VAL 12 6.348 -6.949 5.567 71 H ALA 13 H ALA 13 6.486 -10.997 8.642 72 HA ALA 13 HA ALA 13 8.390 -10.084 10.674 73 HB1 ALA 13 1HB ALA 13 6.224 -11.755 10.860 74 HB2 ALA 13 2HB ALA 13 7.579 -12.884 10.791 75 HB3 ALA 13 3HB ALA 13 7.534 -11.635 12.035 76 H ASN 14 H ASN 14 8.140 -12.071 7.831 77 HA ASN 14 HA ASN 14 10.558 -13.532 8.225 78 HB2 ASN 14 1HB ASN 14 8.704 -13.088 5.910 79 HB3 ASN 14 2HB ASN 14 10.273 -13.841 5.640 80 HD21 ASN 14 2HD2 ASN 14 7.819 -15.098 5.173 81 HD22 ASN 14 1HD2 ASN 14 7.671 -16.425 6.268 82 H ASP 15 H ASP 15 12.417 -12.447 8.428 83 HA ASP 15 HA ASP 15 12.991 -9.948 7.278 84 HB2 ASP 15 1HB ASP 15 14.162 -11.411 9.203 85 HB3 ASP 15 2HB ASP 15 15.256 -11.775 7.871 86 H ASP 16 H ASP 16 12.982 -13.082 5.940 87 HA ASP 16 HA ASP 16 14.958 -12.687 3.921 88 HB2 ASP 16 1HB ASP 16 12.663 -14.651 4.080 89 HB3 ASP 16 2HB ASP 16 13.951 -14.707 2.881 90 H VAL 17 H VAL 17 11.738 -11.634 4.319 91 HA VAL 17 HA VAL 17 10.967 -11.448 1.592 92 HB VAL 17 HB VAL 17 9.986 -10.091 4.091 93 HG11 VAL 17 1HG1 VAL 17 9.323 -9.498 1.248 94 HG12 VAL 17 2HG1 VAL 17 8.037 -9.437 2.455 95 HG13 VAL 17 3HG1 VAL 17 9.459 -8.406 2.625 96 HG21 VAL 17 1HG2 VAL 17 9.164 -12.236 4.111 97 HG22 VAL 17 2HG2 VAL 17 7.882 -11.403 3.230 98 HG23 VAL 17 3HG2 VAL 17 9.091 -12.341 2.352 99 H PHE 18 H PHE 18 13.117 -9.638 3.529 100 HA PHE 18 HA PHE 18 12.962 -7.290 1.795 101 HB2 PHE 18 1HB PHE 18 14.603 -7.763 4.293 102 HB3 PHE 18 2HB PHE 18 14.491 -6.242 3.412 103 HD1 PHE 18 2HD PHE 18 12.341 -8.753 5.130 104 HD2 PHE 18 1HD PHE 18 12.938 -4.673 4.070 105 HE1 PHE 18 2HE PHE 18 10.389 -8.118 6.485 106 HE2 PHE 18 1HE PHE 18 10.985 -4.033 5.425 107 HZ PHE 18 HZ PHE 18 9.709 -5.756 6.634 108 H SER 19 H SER 19 13.837 -9.491 0.444 109 HA SER 19 HA SER 19 16.625 -8.769 -0.098 110 HB2 SER 19 1HB SER 19 16.124 -11.020 1.308 111 HB3 SER 19 2HB SER 19 15.987 -11.656 -0.332 112 HG SER 19 HG SER 19 18.074 -11.608 -0.425 113 H GLU 20 H GLU 20 17.366 -9.532 -2.231 114 HA GLU 20 HA GLU 20 15.248 -9.195 -4.184 115 HB2 GLU 20 1HB GLU 20 18.254 -9.336 -4.431 116 HB3 GLU 20 2HB GLU 20 17.179 -9.180 -5.813 117 HG2 GLU 20 1HG GLU 20 16.534 -7.033 -5.237 118 HG3 GLU 20 2HG GLU 20 17.029 -7.229 -3.558 119 H SER 21 H SER 21 16.864 -11.756 -2.698 120 HA SER 21 HA SER 21 17.339 -13.692 -4.513 121 HB2 SER 21 1HB SER 21 16.515 -13.646 -1.743 122 HB3 SER 21 2HB SER 21 15.803 -15.029 -2.574 123 HG SER 21 HG SER 21 18.523 -14.443 -2.947 124 H GLU 22 H GLU 22 14.145 -13.660 -2.947 125 HA GLU 22 HA GLU 22 12.634 -13.521 -5.314 126 HB2 GLU 22 1HB GLU 22 13.848 -16.002 -5.015 127 HB3 GLU 22 2HB GLU 22 12.219 -16.258 -4.405 128 HG2 GLU 22 1HG GLU 22 11.247 -15.604 -6.460 129 HG3 GLU 22 2HG GLU 22 12.783 -14.988 -7.067 130 H THR 23 H THR 23 12.833 -14.854 -2.051 131 HA THR 23 HA THR 23 10.284 -15.223 -1.282 132 HB THR 23 HB THR 23 12.192 -13.569 0.377 133 HG1 THR 23 1HG THR 23 12.687 -15.821 1.180 134 HG21 THR 23 1HG2 THR 23 10.821 -13.927 2.117 135 HG22 THR 23 2HG2 THR 23 10.547 -15.610 1.666 136 HG23 THR 23 3HG2 THR 23 9.605 -14.329 0.904 137 H ARG 24 H ARG 24 11.758 -12.129 -2.003 138 HA ARG 24 HA ARG 24 9.790 -10.449 -0.910 139 HB2 ARG 24 1HB ARG 24 11.926 -9.552 -1.578 140 HB3 ARG 24 2HB ARG 24 11.660 -10.040 -3.246 141 HG2 ARG 24 1HG ARG 24 9.746 -8.463 -3.345 142 HG3 ARG 24 2HG ARG 24 10.176 -7.912 -1.723 143 HD2 ARG 24 1HD ARG 24 12.457 -7.370 -2.624 144 HD3 ARG 24 2HD ARG 24 11.826 -7.708 -4.235 145 HE ARG 24 HE ARG 24 10.252 -5.793 -2.801 146 HH11 ARG 24 2HH1 ARG 24 13.095 -6.225 -4.763 147 HH12 ARG 24 1HH1 ARG 24 13.108 -4.589 -5.334 148 HH21 ARG 24 2HH2 ARG 24 10.259 -3.638 -3.545 149 HH22 ARG 24 1HH2 ARG 24 11.496 -3.118 -4.640 150 H ALA 25 H ALA 25 10.234 -11.419 -4.318 151 HA ALA 25 HA ALA 25 8.137 -10.337 -5.566 152 HB1 ALA 25 1HB ALA 25 8.267 -11.989 -7.160 153 HB2 ALA 25 2HB ALA 25 9.818 -12.180 -6.342 154 HB3 ALA 25 3HB ALA 25 8.485 -13.272 -5.969 155 H LYS 26 H LYS 26 7.813 -13.496 -3.932 156 HA LYS 26 HA LYS 26 5.176 -13.982 -4.153 157 HB2 LYS 26 1HB LYS 26 6.810 -14.267 -1.624 158 HB3 LYS 26 2HB LYS 26 5.256 -15.043 -1.906 159 HG2 LYS 26 1HG LYS 26 6.364 -16.764 -2.748 160 HG3 LYS 26 2HG LYS 26 6.811 -15.733 -4.110 161 HD2 LYS 26 1HD LYS 26 8.728 -14.931 -2.572 162 HD3 LYS 26 2HD LYS 26 8.379 -16.389 -1.640 163 HE2 LYS 26 1HE LYS 26 8.488 -17.466 -4.081 164 HE3 LYS 26 2HE LYS 26 9.555 -16.089 -4.343 165 HZ1 LYS 26 1HZ LYS 26 11.122 -16.922 -2.969 166 HZ2 LYS 26 2HZ LYS 26 10.409 -18.396 -3.393 167 HZ3 LYS 26 3HZ LYS 26 10.007 -17.652 -1.928 168 H PHE 27 H PHE 27 6.614 -11.783 -1.763 169 HA PHE 27 HA PHE 27 4.205 -11.051 -0.507 170 HB2 PHE 27 1HB PHE 27 6.266 -10.583 0.611 171 HB3 PHE 27 2HB PHE 27 6.860 -9.633 -0.748 172 HD1 PHE 27 2HD PHE 27 5.732 -7.446 -1.276 173 HD2 PHE 27 1HD PHE 27 5.027 -9.593 2.330 174 HE1 PHE 27 2HE PHE 27 4.841 -5.401 -0.237 175 HE2 PHE 27 1HE PHE 27 4.134 -7.552 3.374 176 HZ PHE 27 HZ PHE 27 4.042 -5.452 2.092 177 H GLU 28 H GLU 28 5.952 -9.675 -3.253 178 HA GLU 28 HA GLU 28 4.237 -7.429 -3.572 179 HB2 GLU 28 1HB GLU 28 6.538 -8.575 -4.933 180 HB3 GLU 28 2HB GLU 28 5.355 -7.938 -6.067 181 HG2 GLU 28 1HG GLU 28 5.391 -5.805 -4.738 182 HG3 GLU 28 2HG GLU 28 6.770 -6.467 -3.863 183 H SER 29 H SER 29 4.602 -10.345 -5.599 184 HA SER 29 HA SER 29 2.623 -10.107 -7.377 185 HB2 SER 29 1HB SER 29 3.955 -12.124 -7.281 186 HB3 SER 29 2HB SER 29 3.227 -12.580 -5.741 187 HG SER 29 HG SER 29 1.179 -12.584 -6.955 188 H LEU 30 H LEU 30 2.159 -10.787 -3.959 189 HA LEU 30 HA LEU 30 -0.535 -11.459 -3.949 190 HB2 LEU 30 1HB LEU 30 1.167 -10.006 -1.944 191 HB3 LEU 30 2HB LEU 30 -0.519 -10.410 -1.630 192 HG LEU 30 HG LEU 30 1.542 -12.492 -2.318 193 HD11 LEU 30 1HD1 LEU 30 2.488 -12.166 -0.336 194 HD12 LEU 30 2HD1 LEU 30 0.966 -12.666 0.402 195 HD13 LEU 30 3HD1 LEU 30 1.284 -10.955 0.108 196 HD21 LEU 30 1HD2 LEU 30 -0.190 -13.824 -0.910 197 HD22 LEU 30 2HD2 LEU 30 -0.544 -13.445 -2.597 198 HD23 LEU 30 3HD2 LEU 30 -1.271 -12.487 -1.305 199 H PHE 31 H PHE 31 0.885 -8.224 -3.455 200 HA PHE 31 HA PHE 31 -1.676 -6.940 -3.641 201 HB2 PHE 31 1HB PHE 31 1.025 -5.603 -3.802 202 HB3 PHE 31 2HB PHE 31 -0.502 -4.893 -3.289 203 HD1 PHE 31 2HD PHE 31 2.157 -7.268 -2.351 204 HD2 PHE 31 1HD PHE 31 -1.246 -5.066 -1.055 205 HE1 PHE 31 2HE PHE 31 2.690 -7.825 -0.015 206 HE2 PHE 31 1HE PHE 31 -0.719 -5.618 1.284 207 HZ PHE 31 HZ PHE 31 1.252 -7.000 1.806 208 H ARG 32 H ARG 32 1.272 -6.794 -5.645 209 HA ARG 32 HA ARG 32 0.480 -5.258 -7.715 210 HB2 ARG 32 1HB ARG 32 2.586 -6.914 -7.306 211 HB3 ARG 32 2HB ARG 32 1.749 -7.779 -8.587 212 HG2 ARG 32 1HG ARG 32 2.183 -4.868 -8.948 213 HG3 ARG 32 2HG ARG 32 3.580 -5.939 -9.088 214 HD2 ARG 32 1HD ARG 32 2.161 -7.319 -10.687 215 HD3 ARG 32 2HD ARG 32 1.046 -5.953 -10.706 216 HE ARG 32 HE ARG 32 3.490 -4.869 -11.284 217 HH11 ARG 32 2HH1 ARG 32 1.505 -7.382 -12.651 218 HH12 ARG 32 1HH1 ARG 32 2.083 -7.140 -14.266 219 HH21 ARG 32 2HH2 ARG 32 4.260 -4.542 -13.407 220 HH22 ARG 32 1HH2 ARG 32 3.651 -5.525 -14.695 221 H THR 33 H THR 33 -0.261 -8.718 -7.381 222 HA THR 33 HA THR 33 -1.523 -9.333 -9.677 223 HB THR 33 HB THR 33 -2.294 -10.032 -6.856 224 HG1 THR 33 1HG THR 33 -1.220 -11.865 -7.323 225 HG21 THR 33 1HG2 THR 33 -3.806 -11.757 -7.829 226 HG22 THR 33 2HG2 THR 33 -3.623 -10.973 -9.398 227 HG23 THR 33 3HG2 THR 33 -4.378 -10.106 -8.061 228 H TYR 34 H TYR 34 -2.937 -7.434 -7.040 229 HA TYR 34 HA TYR 34 -5.491 -7.145 -8.246 230 HB2 TYR 34 1HB TYR 34 -4.278 -5.221 -6.267 231 HB3 TYR 34 2HB TYR 34 -5.978 -5.611 -6.504 232 HD1 TYR 34 2HD TYR 34 -6.270 -8.389 -6.344 233 HD2 TYR 34 1HD TYR 34 -3.479 -5.961 -4.242 234 HE1 TYR 34 2HE TYR 34 -6.131 -10.091 -4.575 235 HE2 TYR 34 1HE TYR 34 -3.331 -7.659 -2.467 236 HH TYR 34 HH TYR 34 -4.684 -10.804 -2.816 237 H ASP 35 H ASP 35 -3.129 -4.552 -7.623 238 HA ASP 35 HA ASP 35 -4.009 -3.277 -10.125 239 HB2 ASP 35 1HB ASP 35 -3.893 -2.232 -7.571 240 HB3 ASP 35 2HB ASP 35 -2.413 -1.629 -8.311 241 H LYS 36 H LYS 36 -2.498 -2.460 -11.580 242 HA LYS 36 HA LYS 36 0.104 -3.771 -11.459 243 HB2 LYS 36 1HB LYS 36 -1.337 -2.313 -13.677 244 HB3 LYS 36 2HB LYS 36 0.291 -2.958 -13.836 245 HG2 LYS 36 1HG LYS 36 -1.278 -5.063 -12.853 246 HG3 LYS 36 2HG LYS 36 -2.228 -4.289 -14.125 247 HD2 LYS 36 1HD LYS 36 0.624 -4.713 -14.739 248 HD3 LYS 36 2HD LYS 36 -0.347 -6.177 -14.576 249 HE2 LYS 36 1HE LYS 36 -0.662 -5.742 -16.797 250 HE3 LYS 36 2HE LYS 36 -2.010 -4.831 -16.118 251 HZ1 LYS 36 1HZ LYS 36 -0.699 -2.825 -16.246 252 HZ2 LYS 36 2HZ LYS 36 -0.768 -3.555 -17.771 253 HZ3 LYS 36 3HZ LYS 36 0.635 -3.684 -16.834 254 H ASP 37 H ASP 37 -1.322 -0.634 -11.181 255 HA ASP 37 HA ASP 37 1.255 0.711 -11.441 256 HB2 ASP 37 1HB ASP 37 -1.569 1.523 -11.571 257 HB3 ASP 37 2HB ASP 37 -0.525 2.664 -10.726 258 H THR 38 H THR 38 0.726 -1.125 -9.229 259 HA THR 38 HA THR 38 0.490 0.608 -6.902 260 HB THR 38 HB THR 38 1.084 -1.843 -5.871 261 HG1 THR 38 1HG THR 38 -0.627 -2.496 -8.008 262 HG21 THR 38 1HG2 THR 38 -1.572 -0.687 -6.702 263 HG22 THR 38 2HG2 THR 38 -0.791 -0.587 -5.124 264 HG23 THR 38 3HG2 THR 38 -1.421 -2.130 -5.700 265 H THR 39 H THR 39 2.177 1.435 -5.863 266 HA THR 39 HA THR 39 4.860 0.479 -6.556 267 HB THR 39 HB THR 39 5.667 2.589 -5.539 268 HG1 THR 39 1HG THR 39 2.911 3.285 -5.352 269 HG21 THR 39 1HG2 THR 39 3.842 3.886 -7.284 270 HG22 THR 39 2HG2 THR 39 4.172 2.283 -7.944 271 HG23 THR 39 3HG2 THR 39 5.503 3.390 -7.610 272 H PHE 40 H PHE 40 6.188 -0.452 -5.108 273 HA PHE 40 HA PHE 40 5.178 -0.758 -2.360 274 HB2 PHE 40 1HB PHE 40 7.145 -2.517 -3.841 275 HB3 PHE 40 2HB PHE 40 6.468 -2.821 -2.244 276 HD1 PHE 40 2HD PHE 40 5.236 -2.072 -5.689 277 HD2 PHE 40 1HD PHE 40 4.787 -4.366 -2.133 278 HE1 PHE 40 2HE PHE 40 3.369 -3.300 -6.721 279 HE2 PHE 40 1HE PHE 40 2.920 -5.599 -3.158 280 HZ PHE 40 HZ PHE 40 2.208 -5.065 -5.454 281 H GLN 41 H GLN 41 6.474 -0.316 -0.624 282 HA GLN 41 HA GLN 41 9.193 0.655 -1.163 283 HB2 GLN 41 1HB GLN 41 7.444 2.520 -0.931 284 HB3 GLN 41 2HB GLN 41 7.359 2.064 0.765 285 HG2 GLN 41 1HG GLN 41 8.861 3.840 0.711 286 HG3 GLN 41 2HG GLN 41 9.881 2.405 0.812 287 HE21 GLN 41 2HE2 GLN 41 9.143 5.211 -0.928 288 HE22 GLN 41 1HE2 GLN 41 10.196 4.950 -2.271 289 H TYR 42 H TYR 42 10.397 -0.822 -0.142 290 HA TYR 42 HA TYR 42 9.528 -1.958 2.386 291 HB2 TYR 42 1HB TYR 42 11.876 -2.504 0.573 292 HB3 TYR 42 2HB TYR 42 11.702 -3.267 2.149 293 HD1 TYR 42 2HD TYR 42 9.275 -2.560 -0.607 294 HD2 TYR 42 1HD TYR 42 11.124 -5.483 1.871 295 HE1 TYR 42 2HE TYR 42 7.858 -4.302 -1.612 296 HE2 TYR 42 1HE TYR 42 9.712 -7.232 0.873 297 HH TYR 42 HH TYR 42 7.747 -6.637 -1.914 298 H PHE 43 H PHE 43 10.616 -1.761 4.337 299 HA PHE 43 HA PHE 43 12.550 0.458 4.475 300 HB2 PHE 43 1HB PHE 43 10.442 -0.373 6.476 301 HB3 PHE 43 2HB PHE 43 11.688 0.828 6.798 302 HD1 PHE 43 1HD PHE 43 8.745 0.065 4.705 303 HD2 PHE 43 2HD PHE 43 11.469 3.049 6.043 304 HE1 PHE 43 1HE PHE 43 7.305 1.809 3.736 305 HE2 PHE 43 2HE PHE 43 10.034 4.798 5.078 306 HZ PHE 43 HZ PHE 43 7.948 4.179 3.923 307 H LYS 44 H LYS 44 14.505 -0.433 4.690 308 HA LYS 44 HA LYS 44 14.912 -2.914 6.093 309 HB2 LYS 44 1HB LYS 44 16.209 -1.835 4.038 310 HB3 LYS 44 2HB LYS 44 17.197 -1.161 5.327 311 HG2 LYS 44 1HG LYS 44 18.093 -3.163 5.878 312 HG3 LYS 44 2HG LYS 44 16.627 -4.057 5.469 313 HD2 LYS 44 1HD LYS 44 17.915 -4.734 3.726 314 HD3 LYS 44 2HD LYS 44 17.311 -3.232 3.021 315 HE2 LYS 44 1HE LYS 44 19.436 -2.242 4.264 316 HE3 LYS 44 2HE LYS 44 20.010 -3.898 4.073 317 HZ1 LYS 44 1HZ LYS 44 19.915 -1.849 2.154 318 HZ2 LYS 44 2HZ LYS 44 18.905 -3.105 1.642 319 HZ3 LYS 44 3HZ LYS 44 20.531 -3.416 1.992 320 H SER 45 H SER 45 13.773 -1.174 7.852 321 HA SER 45 HA SER 45 15.816 -1.010 9.890 322 HB2 SER 45 1HB SER 45 14.380 1.465 8.909 323 HB3 SER 45 2HB SER 45 15.270 1.380 10.430 324 HG SER 45 HG SER 45 16.390 2.176 8.427 325 H PHE 46 H PHE 46 12.473 -0.425 8.929 326 HA PHE 46 HA PHE 46 11.631 -1.164 11.655 327 HB2 PHE 46 1HB PHE 46 10.028 0.465 9.679 328 HB3 PHE 46 2HB PHE 46 9.665 0.188 11.380 329 HD1 PHE 46 2HD PHE 46 11.120 1.218 13.123 330 HD2 PHE 46 1HD PHE 46 11.451 2.211 8.997 331 HE1 PHE 46 2HE PHE 46 12.342 3.269 13.718 332 HE2 PHE 46 1HE PHE 46 12.674 4.263 9.586 333 HZ PHE 46 HZ PHE 46 13.119 4.796 11.948 334 H LYS 47 H LYS 47 12.211 -2.822 9.209 335 HA LYS 47 HA LYS 47 11.235 -4.452 7.904 336 HB2 LYS 47 1HB LYS 47 10.030 -4.939 10.634 337 HB3 LYS 47 2HB LYS 47 9.992 -6.103 9.316 338 HG2 LYS 47 1HG LYS 47 12.654 -5.055 9.987 339 HG3 LYS 47 2HG LYS 47 11.885 -6.037 11.235 340 HD2 LYS 47 1HD LYS 47 11.912 -6.995 8.405 341 HD3 LYS 47 2HD LYS 47 13.361 -7.166 9.398 342 HE2 LYS 47 1HE LYS 47 10.788 -8.035 10.585 343 HE3 LYS 47 2HE LYS 47 11.453 -9.030 9.290 344 HZ1 LYS 47 1HZ LYS 47 13.221 -9.651 10.547 345 HZ2 LYS 47 2HZ LYS 47 12.107 -9.405 11.796 346 HZ3 LYS 47 3HZ LYS 47 13.257 -8.215 11.442 347 H ARG 48 H ARG 48 9.825 -1.978 7.692 348 HA ARG 48 HA ARG 48 7.023 -2.847 7.536 349 HB2 ARG 48 1HB ARG 48 8.355 -0.256 8.001 350 HB3 ARG 48 2HB ARG 48 6.950 -0.195 6.945 351 HG2 ARG 48 1HG ARG 48 5.537 -1.085 8.638 352 HG3 ARG 48 2HG ARG 48 6.918 -1.469 9.668 353 HD2 ARG 48 1HD ARG 48 6.961 1.312 8.968 354 HD3 ARG 48 2HD ARG 48 5.386 0.888 9.638 355 HE ARG 48 HE ARG 48 7.828 1.120 11.063 356 HH11 ARG 48 2HH1 ARG 48 4.878 -0.723 10.920 357 HH12 ARG 48 1HH1 ARG 48 4.901 -1.136 12.602 358 HH21 ARG 48 2HH2 ARG 48 7.870 0.583 13.280 359 HH22 ARG 48 1HH2 ARG 48 6.603 -0.393 13.943 360 H VAL 49 H VAL 49 5.782 -2.093 5.633 361 HA VAL 49 HA VAL 49 7.337 -1.614 3.218 362 HB VAL 49 HB VAL 49 5.428 -3.948 3.353 363 HG11 VAL 49 1HG1 VAL 49 5.425 -3.550 1.140 364 HG12 VAL 49 2HG1 VAL 49 6.891 -2.572 1.210 365 HG13 VAL 49 3HG1 VAL 49 7.005 -4.332 1.181 366 HG21 VAL 49 1HG2 VAL 49 7.293 -5.421 3.388 367 HG22 VAL 49 2HG2 VAL 49 8.432 -4.092 3.184 368 HG23 VAL 49 3HG2 VAL 49 7.536 -4.261 4.693 369 H ARG 50 H ARG 50 6.353 0.277 2.739 370 HA ARG 50 HA ARG 50 3.476 0.551 2.924 371 HB2 ARG 50 1HB ARG 50 5.222 2.365 3.460 372 HB3 ARG 50 2HB ARG 50 5.359 2.564 1.719 373 HG2 ARG 50 1HG ARG 50 2.760 2.807 1.836 374 HG3 ARG 50 2HG ARG 50 3.083 3.206 3.526 375 HD2 ARG 50 1HD ARG 50 4.913 4.602 1.805 376 HD3 ARG 50 2HD ARG 50 3.252 4.902 1.296 377 HE ARG 50 HE ARG 50 2.876 6.049 3.263 378 HH11 ARG 50 2HH1 ARG 50 5.959 4.438 3.383 379 HH12 ARG 50 1HH1 ARG 50 6.484 5.267 4.811 380 HH21 ARG 50 2HH2 ARG 50 3.554 7.147 5.143 381 HH22 ARG 50 1HH2 ARG 50 5.115 6.807 5.812 382 H ILE 51 H ILE 51 2.126 0.043 1.342 383 HA ILE 51 HA ILE 51 3.162 -0.048 -1.417 384 HB ILE 51 HB ILE 51 0.892 -1.655 -0.240 385 HG12 ILE 51 1HG1 ILE 51 3.044 -3.233 -1.281 386 HG13 ILE 51 2HG1 ILE 51 3.699 -2.066 -0.137 387 HG21 ILE 51 1HG2 ILE 51 2.124 -1.641 -2.990 388 HG22 ILE 51 2HG2 ILE 51 1.008 -2.875 -2.407 389 HG23 ILE 51 3HG2 ILE 51 0.472 -1.202 -2.556 390 HD11 ILE 51 1HD1 ILE 51 2.692 -4.481 0.533 391 HD12 ILE 51 2HD1 ILE 51 2.781 -3.098 1.623 392 HD13 ILE 51 3HD1 ILE 51 1.281 -3.450 0.768 393 H ASN 52 H ASN 52 2.548 1.790 -2.382 394 HA ASN 52 HA ASN 52 -0.040 2.975 -1.798 395 HB2 ASN 52 1HB ASN 52 2.382 3.850 -3.341 396 HB3 ASN 52 2HB ASN 52 0.843 4.677 -3.566 397 HD21 ASN 52 2HD2 ASN 52 3.635 5.002 -2.079 398 HD22 ASN 52 1HD2 ASN 52 3.155 5.816 -0.632 399 H PHE 53 H PHE 53 -1.806 2.634 -2.968 400 HA PHE 53 HA PHE 53 -1.547 1.225 -5.523 401 HB2 PHE 53 1HB PHE 53 -3.980 1.679 -3.783 402 HB3 PHE 53 2HB PHE 53 -3.944 0.721 -5.260 403 HD1 PHE 53 2HD PHE 53 -2.102 0.956 -2.021 404 HD2 PHE 53 1HD PHE 53 -3.784 -1.549 -5.024 405 HE1 PHE 53 2HE PHE 53 -1.475 -1.030 -0.711 406 HE2 PHE 53 1HE PHE 53 -3.160 -3.540 -3.717 407 HZ PHE 53 HZ PHE 53 -2.003 -3.281 -1.559 408 H SER 54 H SER 54 -3.732 1.827 -6.895 409 HA SER 54 HA SER 54 -3.371 4.672 -7.507 410 HB2 SER 54 1HB SER 54 -4.346 4.122 -9.706 411 HB3 SER 54 2HB SER 54 -2.942 3.116 -9.351 412 HG SER 54 HG SER 54 -5.450 2.153 -8.601 413 H ASN 55 H ASN 55 -5.543 2.567 -6.031 414 HA ASN 55 HA ASN 55 -7.539 4.656 -5.848 415 HB2 ASN 55 1HB ASN 55 -9.389 3.074 -6.491 416 HB3 ASN 55 2HB ASN 55 -8.351 3.569 -7.825 417 HD21 ASN 55 2HD2 ASN 55 -8.142 1.942 -9.173 418 HD22 ASN 55 1HD2 ASN 55 -7.840 0.295 -8.743 419 HA PRO 56 HA PRO 56 -7.879 3.023 -1.779 420 HB2 PRO 56 1HB PRO 56 -10.324 3.995 -1.106 421 HB3 PRO 56 2HB PRO 56 -8.883 5.013 -1.221 422 HG2 PRO 56 1HG PRO 56 -11.083 4.611 -3.211 423 HG3 PRO 56 2HG PRO 56 -10.279 6.114 -2.720 424 HD2 PRO 56 1HD PRO 56 -9.658 4.810 -5.011 425 HD3 PRO 56 2HD PRO 56 -8.459 5.732 -4.081 426 H LEU 57 H LEU 57 -9.845 2.039 -4.345 427 HA LEU 57 HA LEU 57 -11.678 0.379 -2.932 428 HB2 LEU 57 1HB LEU 57 -10.854 0.730 -5.766 429 HB3 LEU 57 2HB LEU 57 -11.703 -0.750 -5.325 430 HG LEU 57 HG LEU 57 -12.798 2.001 -4.771 431 HD11 LEU 57 1HD1 LEU 57 -13.375 0.211 -7.127 432 HD12 LEU 57 2HD1 LEU 57 -12.459 1.717 -7.182 433 HD13 LEU 57 3HD1 LEU 57 -14.169 1.741 -6.755 434 HD21 LEU 57 1HD2 LEU 57 -14.200 0.771 -3.538 435 HD22 LEU 57 2HD2 LEU 57 -13.649 -0.743 -4.256 436 HD23 LEU 57 3HD2 LEU 57 -14.870 0.230 -5.077 437 H SER 58 H SER 58 -8.913 -0.491 -5.016 438 HA SER 58 HA SER 58 -8.823 -3.188 -4.329 439 HB2 SER 58 1HB SER 58 -7.371 -1.506 -5.992 440 HB3 SER 58 2HB SER 58 -6.175 -2.067 -4.824 441 HG SER 58 HG SER 58 -7.268 -4.231 -5.344 442 H ALA 59 H ALA 59 -7.054 -0.445 -2.926 443 HA ALA 59 HA ALA 59 -5.348 -1.538 -1.181 444 HB1 ALA 59 1HB ALA 59 -7.301 0.638 -0.443 445 HB2 ALA 59 2HB ALA 59 -5.761 0.308 0.351 446 HB3 ALA 59 3HB ALA 59 -5.790 0.868 -1.321 447 H ALA 60 H ALA 60 -8.838 -1.683 -0.920 448 HA ALA 60 HA ALA 60 -8.838 -2.788 1.732 449 HB1 ALA 60 1HB ALA 60 -11.292 -3.393 0.600 450 HB2 ALA 60 2HB ALA 60 -10.903 -1.971 1.569 451 HB3 ALA 60 3HB ALA 60 -10.811 -1.891 -0.191 452 H ASP 61 H ASP 61 -9.922 -4.153 -1.385 453 HA ASP 61 HA ASP 61 -10.287 -6.747 -0.732 454 HB2 ASP 61 1HB ASP 61 -9.771 -5.316 -3.136 455 HB3 ASP 61 2HB ASP 61 -8.784 -6.774 -3.162 456 H ALA 62 H ALA 62 -7.167 -5.183 -1.267 457 HA ALA 62 HA ALA 62 -5.529 -7.440 -1.202 458 HB1 ALA 62 1HB ALA 62 -4.991 -4.605 -0.341 459 HB2 ALA 62 2HB ALA 62 -3.747 -5.851 -0.446 460 HB3 ALA 62 3HB ALA 62 -4.618 -5.350 -1.895 461 H ARG 63 H ARG 63 -6.478 -5.286 1.475 462 HA ARG 63 HA ARG 63 -5.131 -6.509 3.542 463 HB2 ARG 63 1HB ARG 63 -6.573 -4.394 3.583 464 HB3 ARG 63 2HB ARG 63 -7.942 -5.468 3.843 465 HG2 ARG 63 1HG ARG 63 -7.258 -6.053 5.957 466 HG3 ARG 63 2HG ARG 63 -5.565 -5.677 5.628 467 HD2 ARG 63 1HD ARG 63 -6.009 -3.824 6.829 468 HD3 ARG 63 2HD ARG 63 -6.680 -3.240 5.306 469 HE ARG 63 HE ARG 63 -8.702 -3.179 6.340 470 HH11 ARG 63 2HH1 ARG 63 -6.752 -5.597 7.911 471 HH12 ARG 63 1HH1 ARG 63 -7.958 -5.991 9.091 472 HH21 ARG 63 2HH2 ARG 63 -10.298 -3.688 7.887 473 HH22 ARG 63 1HH2 ARG 63 -9.975 -4.905 9.076 474 H LEU 64 H LEU 64 -8.492 -7.188 2.552 475 HA LEU 64 HA LEU 64 -8.979 -9.302 4.278 476 HB2 LEU 64 1HB LEU 64 -10.918 -9.541 3.166 477 HB3 LEU 64 2HB LEU 64 -10.428 -8.022 2.418 478 HG LEU 64 HG LEU 64 -9.372 -9.532 0.599 479 HD11 LEU 64 1HD1 LEU 64 -10.139 -11.540 2.255 480 HD12 LEU 64 2HD1 LEU 64 -9.857 -11.720 0.524 481 HD13 LEU 64 3HD1 LEU 64 -11.497 -11.483 1.131 482 HD21 LEU 64 1HD2 LEU 64 -12.364 -9.592 0.646 483 HD22 LEU 64 2HD2 LEU 64 -11.272 -9.272 -0.701 484 HD23 LEU 64 3HD2 LEU 64 -11.499 -8.058 0.558 485 H ARG 65 H ARG 65 -7.485 -9.318 1.073 486 HA ARG 65 HA ARG 65 -7.243 -12.160 0.936 487 HB2 ARG 65 1HB ARG 65 -6.313 -9.843 -0.670 488 HB3 ARG 65 2HB ARG 65 -5.403 -11.337 -0.835 489 HG2 ARG 65 1HG ARG 65 -8.129 -12.028 -0.987 490 HG3 ARG 65 2HG ARG 65 -7.896 -10.609 -2.009 491 HD2 ARG 65 1HD ARG 65 -6.395 -11.690 -3.394 492 HD3 ARG 65 2HD ARG 65 -5.960 -12.876 -2.165 493 HE ARG 65 HE ARG 65 -7.692 -14.194 -2.874 494 HH11 ARG 65 2HH1 ARG 65 -8.109 -10.980 -4.144 495 HH12 ARG 65 1HH1 ARG 65 -9.434 -11.417 -5.171 496 HH21 ARG 65 2HH2 ARG 65 -9.436 -14.782 -4.223 497 HH22 ARG 65 1HH2 ARG 65 -10.188 -13.579 -5.214 498 H LEU 66 H LEU 66 -5.427 -9.650 2.425 499 HA LEU 66 HA LEU 66 -3.263 -11.563 3.008 500 HB2 LEU 66 1HB LEU 66 -2.954 -8.577 3.057 501 HB3 LEU 66 2HB LEU 66 -1.691 -9.807 3.061 502 HG LEU 66 HG LEU 66 -3.512 -9.372 0.706 503 HD11 LEU 66 1HD1 LEU 66 -1.219 -7.780 1.630 504 HD12 LEU 66 2HD1 LEU 66 -2.539 -7.352 0.541 505 HD13 LEU 66 3HD1 LEU 66 -1.165 -8.279 -0.061 506 HD21 LEU 66 1HD2 LEU 66 -1.849 -11.430 1.258 507 HD22 LEU 66 2HD2 LEU 66 -0.748 -10.342 0.411 508 HD23 LEU 66 3HD2 LEU 66 -2.235 -10.880 -0.373 509 H HIS 67 H HIS 67 -2.122 -9.571 4.893 510 HA HIS 67 HA HIS 67 -2.382 -8.792 7.045 511 HB2 HIS 67 1HB HIS 67 -4.901 -8.566 6.262 512 HB3 HIS 67 2HB HIS 67 -5.118 -9.959 7.320 513 HD1 HIS 67 1HD HIS 67 -2.516 -7.961 8.741 514 HD2 HIS 67 2HD HIS 67 -6.666 -7.773 8.681 515 HE1 HIS 67 1HE HIS 67 -3.149 -6.458 10.655 516 H LYS 68 H LYS 68 -4.102 -10.331 8.970 517 HA LYS 68 HA LYS 68 -2.380 -11.931 10.220 518 HB2 LYS 68 1HB LYS 68 -5.328 -12.352 9.791 519 HB3 LYS 68 2HB LYS 68 -4.389 -13.435 10.811 520 HG2 LYS 68 1HG LYS 68 -4.264 -11.954 12.486 521 HG3 LYS 68 2HG LYS 68 -4.025 -10.586 11.397 522 HD2 LYS 68 1HD LYS 68 -6.120 -10.301 12.535 523 HD3 LYS 68 2HD LYS 68 -6.449 -10.681 10.843 524 HE2 LYS 68 1HE LYS 68 -7.718 -12.381 11.497 525 HE3 LYS 68 2HE LYS 68 -6.303 -13.134 12.233 526 HZ1 LYS 68 1HZ LYS 68 -6.838 -11.529 14.171 527 HZ2 LYS 68 2HZ LYS 68 -7.734 -12.953 14.003 528 HZ3 LYS 68 3HZ LYS 68 -8.386 -11.479 13.487 529 H THR 69 H THR 69 -4.046 -12.760 7.255 530 HA THR 69 HA THR 69 -3.882 -15.390 6.917 531 HB THR 69 HB THR 69 -3.228 -15.082 4.564 532 HG1 THR 69 1HG THR 69 -2.357 -12.613 5.571 533 HG21 THR 69 1HG2 THR 69 -5.393 -13.766 5.910 534 HG22 THR 69 2HG2 THR 69 -5.366 -14.503 4.309 535 HG23 THR 69 3HG2 THR 69 -4.899 -12.815 4.511 536 H GLU 70 H GLU 70 -2.438 -16.990 7.035 537 HA GLU 70 HA GLU 70 0.185 -16.540 7.964 538 HB2 GLU 70 1HB GLU 70 -1.474 -18.850 7.261 539 HB3 GLU 70 2HB GLU 70 0.238 -19.101 6.954 540 HG2 GLU 70 1HG GLU 70 0.759 -18.550 9.256 541 HG3 GLU 70 2HG GLU 70 -0.942 -18.216 9.578 542 H PHE 71 H PHE 71 1.294 -15.199 6.553 543 HA PHE 71 HA PHE 71 1.542 -15.811 3.762 544 HB2 PHE 71 1HB PHE 71 1.694 -13.514 4.308 545 HB3 PHE 71 2HB PHE 71 2.873 -13.812 5.582 546 HD1 PHE 71 2HD PHE 71 2.370 -13.679 1.936 547 HD2 PHE 71 1HD PHE 71 5.192 -13.937 5.113 548 HE1 PHE 71 2HE PHE 71 4.195 -13.227 0.348 549 HE2 PHE 71 1HE PHE 71 7.020 -13.484 3.530 550 HZ PHE 71 HZ PHE 71 6.524 -13.130 1.145 551 H LEU 72 H LEU 72 2.593 -17.617 3.206 552 HA LEU 72 HA LEU 72 4.235 -19.173 2.984 553 HB2 LEU 72 1HB LEU 72 5.694 -16.675 3.639 554 HB3 LEU 72 2HB LEU 72 6.596 -18.187 3.708 555 HG LEU 72 HG LEU 72 5.138 -18.060 1.246 556 HD11 LEU 72 1HD1 LEU 72 6.696 -16.117 0.407 557 HD12 LEU 72 2HD1 LEU 72 6.551 -15.579 2.080 558 HD13 LEU 72 3HD1 LEU 72 5.105 -15.779 1.091 559 HD21 LEU 72 1HD2 LEU 72 7.942 -18.353 2.182 560 HD22 LEU 72 2HD2 LEU 72 7.667 -17.958 0.484 561 HD23 LEU 72 3HD2 LEU 72 6.965 -19.422 1.175 562 H GLY 73 H GLY 73 2.789 -18.947 5.528 563 HA2 GLY 73 1HA GLY 73 2.943 -20.563 7.278 564 HA3 GLY 73 2HA GLY 73 4.694 -20.482 7.155 565 H LYS 74 H LYS 74 4.517 -17.481 7.049 566 HA LYS 74 HA LYS 74 4.193 -17.080 9.945 567 HB2 LYS 74 1HB LYS 74 5.875 -15.580 7.932 568 HB3 LYS 74 2HB LYS 74 5.708 -15.123 9.622 569 HG2 LYS 74 1HG LYS 74 6.474 -17.894 9.356 570 HG3 LYS 74 2HG LYS 74 7.606 -16.823 8.528 571 HD2 LYS 74 1HD LYS 74 8.389 -15.976 10.455 572 HD3 LYS 74 2HD LYS 74 6.779 -15.870 11.170 573 HE2 LYS 74 1HE LYS 74 7.826 -17.443 12.510 574 HE3 LYS 74 2HE LYS 74 6.954 -18.445 11.351 575 HZ1 LYS 74 1HZ LYS 74 9.548 -17.791 10.393 576 HZ2 LYS 74 2HZ LYS 74 8.851 -19.312 10.637 577 HZ3 LYS 74 3HZ LYS 74 9.645 -18.532 11.911 578 H GLU 75 H GLU 75 2.607 -15.811 10.648 579 HA GLU 75 HA GLU 75 0.761 -14.605 8.878 580 HB2 GLU 75 1HB GLU 75 -0.184 -15.245 10.902 581 HB3 GLU 75 2HB GLU 75 1.150 -14.597 11.845 582 HG2 GLU 75 1HG GLU 75 0.318 -12.474 11.833 583 HG3 GLU 75 2HG GLU 75 -0.532 -12.697 10.304 584 H MET 76 H MET 76 0.504 -12.533 8.202 585 HA MET 76 HA MET 76 2.583 -10.608 9.012 586 HB2 MET 76 1HB MET 76 3.081 -10.968 6.784 587 HB3 MET 76 2HB MET 76 1.403 -11.250 6.344 588 HG2 MET 76 1HG MET 76 0.949 -8.850 6.626 589 HG3 MET 76 2HG MET 76 2.653 -8.592 6.993 590 HE1 MET 76 1HE MET 76 0.098 -9.931 4.671 591 HE2 MET 76 2HE MET 76 0.626 -9.471 3.052 592 HE3 MET 76 3HE MET 76 1.221 -10.962 3.785 593 H LYS 77 H LYS 77 1.988 -8.439 9.273 594 HA LYS 77 HA LYS 77 -0.869 -8.056 9.816 595 HB2 LYS 77 1HB LYS 77 1.625 -7.060 11.011 596 HB3 LYS 77 2HB LYS 77 0.380 -5.834 10.817 597 HG2 LYS 77 1HG LYS 77 -1.118 -7.741 11.904 598 HG3 LYS 77 2HG LYS 77 0.446 -8.215 12.573 599 HD2 LYS 77 1HD LYS 77 0.694 -5.769 13.266 600 HD3 LYS 77 2HD LYS 77 -1.030 -5.617 12.914 601 HE2 LYS 77 1HE LYS 77 -0.843 -7.910 14.466 602 HE3 LYS 77 2HE LYS 77 0.303 -6.793 15.205 603 HZ1 LYS 77 1HZ LYS 77 -1.486 -5.128 15.277 604 HZ2 LYS 77 2HZ LYS 77 -1.848 -6.504 16.191 605 HZ3 LYS 77 3HZ LYS 77 -2.573 -6.279 14.680 606 H LEU 78 H LEU 78 -1.722 -5.819 9.411 607 HA LEU 78 HA LEU 78 -0.462 -4.326 7.279 608 HB2 LEU 78 1HB LEU 78 -2.785 -6.111 6.850 609 HB3 LEU 78 2HB LEU 78 -2.852 -4.521 6.093 610 HG LEU 78 HG LEU 78 -0.419 -6.188 5.676 611 HD11 LEU 78 1HD1 LEU 78 -1.357 -7.704 4.299 612 HD12 LEU 78 2HD1 LEU 78 -2.604 -6.590 3.742 613 HD13 LEU 78 3HD1 LEU 78 -2.785 -7.412 5.292 614 HD21 LEU 78 1HD2 LEU 78 -1.994 -4.236 4.003 615 HD22 LEU 78 2HD2 LEU 78 -0.561 -5.102 3.449 616 HD23 LEU 78 3HD2 LEU 78 -0.438 -3.955 4.785 617 H TYR 79 H TYR 79 -1.033 -2.217 7.313 618 HA TYR 79 HA TYR 79 -3.377 -1.444 8.909 619 HB2 TYR 79 1HB TYR 79 -0.576 -0.338 9.112 620 HB3 TYR 79 2HB TYR 79 -1.984 0.513 9.737 621 HD1 TYR 79 2HD TYR 79 0.041 -2.563 10.079 622 HD2 TYR 79 1HD TYR 79 -2.962 -0.095 11.810 623 HE1 TYR 79 2HE TYR 79 0.210 -3.839 12.175 624 HE2 TYR 79 1HE TYR 79 -2.800 -1.363 13.911 625 HH TYR 79 HH TYR 79 -0.313 -3.770 14.419 626 H PHE 80 H PHE 80 -4.384 0.496 8.309 627 HA PHE 80 HA PHE 80 -4.181 1.124 5.527 628 HB2 PHE 80 1HB PHE 80 -5.943 1.899 7.784 629 HB3 PHE 80 2HB PHE 80 -5.829 3.043 6.450 630 HD1 PHE 80 1HD PHE 80 -5.847 1.660 4.058 631 HD2 PHE 80 2HD PHE 80 -7.784 0.553 7.682 632 HE1 PHE 80 1HE PHE 80 -7.474 0.331 2.778 633 HE2 PHE 80 2HE PHE 80 -9.414 -0.778 6.409 634 HZ PHE 80 HZ PHE 80 -9.261 -0.891 3.953 635 H ALA 81 H ALA 81 -2.711 2.427 4.680 636 HA ALA 81 HA ALA 81 -1.243 4.302 6.306 637 HB1 ALA 81 1HB ALA 81 0.290 4.337 4.643 638 HB2 ALA 81 2HB ALA 81 -0.521 2.838 4.187 639 HB3 ALA 81 3HB ALA 81 -0.928 4.346 3.368 640 H GLN 82 H GLN 82 -2.379 6.065 6.901 641 HA GLN 82 HA GLN 82 -3.048 8.000 4.897 642 HB2 GLN 82 1HB GLN 82 -5.075 6.232 5.527 643 HB3 GLN 82 2HB GLN 82 -5.413 7.608 6.569 644 HG2 GLN 82 1HG GLN 82 -4.873 8.796 4.157 645 HG3 GLN 82 2HG GLN 82 -5.716 7.318 3.690 646 HE21 GLN 82 2HE2 GLN 82 -7.394 8.731 2.935 647 HE22 GLN 82 1HE2 GLN 82 -8.553 9.366 4.049 648 H THR 83 H THR 83 -3.906 7.185 8.264 649 HA THR 83 HA THR 83 -2.475 9.543 9.192 650 HB THR 83 HB THR 83 -4.389 10.333 10.550 651 HG1 THR 83 1HG THR 83 -5.466 8.106 10.139 652 HG21 THR 83 1HG2 THR 83 -3.840 11.266 8.273 653 HG22 THR 83 2HG2 THR 83 -5.505 11.509 8.803 654 HG23 THR 83 3HG2 THR 83 -5.127 10.248 7.628 655 H LEU 84 H LEU 84 -2.586 9.654 11.665 656 HA LEU 84 HA LEU 84 -1.814 7.084 12.678 657 HB2 LEU 84 1HB LEU 84 -2.148 9.699 14.140 658 HB3 LEU 84 2HB LEU 84 -1.309 8.269 14.740 659 HG LEU 84 HG LEU 84 -0.069 8.936 12.307 660 HD11 LEU 84 1HD1 LEU 84 -0.568 11.348 14.043 661 HD12 LEU 84 2HD1 LEU 84 -1.034 11.131 12.356 662 HD13 LEU 84 3HD1 LEU 84 0.670 11.255 12.790 663 HD21 LEU 84 1HD2 LEU 84 1.680 9.778 14.154 664 HD22 LEU 84 2HD2 LEU 84 1.377 8.073 13.816 665 HD23 LEU 84 3HD2 LEU 84 0.587 8.856 15.187 666 H HIS 85 H HIS 85 -3.809 5.930 12.461 667 HA HIS 85 HA HIS 85 -5.622 6.422 14.719 668 HB2 HIS 85 1HB HIS 85 -6.317 6.792 12.028 669 HB3 HIS 85 2HB HIS 85 -7.028 5.246 12.479 670 HD1 HIS 85 1HD HIS 85 -7.885 8.655 12.364 671 HD2 HIS 85 2HD HIS 85 -8.463 5.643 15.167 672 HE1 HIS 85 1HE HIS 85 -9.790 9.436 13.807 673 H ILE 86 H ILE 86 -4.741 4.767 15.924 674 HA ILE 86 HA ILE 86 -5.100 2.057 14.820 675 HB ILE 86 HB ILE 86 -3.029 2.951 16.828 676 HG12 ILE 86 1HG1 ILE 86 -1.961 1.696 14.484 677 HG13 ILE 86 2HG1 ILE 86 -3.028 3.007 13.991 678 HG21 ILE 86 1HG2 ILE 86 -3.858 0.265 15.814 679 HG22 ILE 86 2HG2 ILE 86 -2.191 0.550 16.311 680 HG23 ILE 86 3HG2 ILE 86 -3.505 0.780 17.464 681 HD11 ILE 86 1HD1 ILE 86 -1.437 3.977 16.107 682 HD12 ILE 86 2HD1 ILE 86 -0.370 3.140 14.979 683 HD13 ILE 86 3HD1 ILE 86 -1.408 4.445 14.407 684 H GLY 87 H GLY 87 -4.915 3.870 17.889 685 HA2 GLY 87 1HA GLY 87 -6.735 3.843 19.456 686 HA3 GLY 87 2HA GLY 87 -7.170 2.246 18.863 687 H SER 88 H SER 88 -4.003 3.489 19.868 688 HA SER 88 HA SER 88 -4.061 1.676 22.173 689 HB2 SER 88 1HB SER 88 -2.906 0.605 20.175 690 HB3 SER 88 2HB SER 88 -1.667 1.849 20.339 691 HG SER 88 HG SER 88 -2.353 -0.213 22.138 692 H SER 89 H SER 89 -2.091 2.070 23.604 693 HA SER 89 HA SER 89 -1.767 4.969 23.881 694 HB2 SER 89 1HB SER 89 -1.383 4.623 26.177 695 HB3 SER 89 2HB SER 89 -2.636 3.448 25.775 696 HG SER 89 HG SER 89 -0.553 2.830 27.003 697 H HIS 90 H HIS 90 0.173 5.968 23.791 698 HA HIS 90 HA HIS 90 2.298 4.869 22.402 699 HB2 HIS 90 1HB HIS 90 3.581 6.813 23.065 700 HB3 HIS 90 2HB HIS 90 1.919 7.301 22.745 701 HD1 HIS 90 1HD HIS 90 4.435 8.142 24.954 702 HD2 HIS 90 2HD HIS 90 0.473 7.026 25.527 703 HE1 HIS 90 1HE HIS 90 3.811 9.020 27.227 704 H LEU 91 H LEU 91 4.240 3.935 22.952 705 HA LEU 91 HA LEU 91 5.739 2.721 24.156 706 HB2 LEU 91 1HB LEU 91 5.725 4.873 25.508 707 HB3 LEU 91 2HB LEU 91 4.640 4.044 26.623 708 HG LEU 91 HG LEU 91 7.007 2.467 26.144 709 HD11 LEU 91 1HD1 LEU 91 8.601 3.964 27.275 710 HD12 LEU 91 2HD1 LEU 91 7.427 5.274 27.160 711 HD13 LEU 91 3HD1 LEU 91 8.110 4.570 25.693 712 HD21 LEU 91 1HD2 LEU 91 5.409 2.259 28.026 713 HD22 LEU 91 2HD2 LEU 91 5.980 3.810 28.642 714 HD23 LEU 91 3HD2 LEU 91 7.084 2.436 28.550 715 H ALA 92 H ALA 92 5.858 0.767 25.263 716 HA ALA 92 HA ALA 92 3.658 -0.219 26.821 717 HB1 ALA 92 1HB ALA 92 3.394 -0.523 24.086 718 HB2 ALA 92 2HB ALA 92 4.010 -2.084 24.630 719 HB3 ALA 92 3HB ALA 92 2.531 -1.428 25.330 720 HA PRO 93 HA PRO 93 6.697 -2.922 28.468 721 HB2 PRO 93 1HB PRO 93 5.322 -5.221 28.908 722 HB3 PRO 93 2HB PRO 93 5.085 -3.760 29.873 723 HG2 PRO 93 1HG PRO 93 3.455 -4.809 27.592 724 HG3 PRO 93 2HG PRO 93 2.910 -4.113 29.129 725 HD2 PRO 93 1HD PRO 93 2.950 -2.696 26.822 726 HD3 PRO 93 2HD PRO 93 3.231 -1.947 28.407 727 HA PRO 94 HA PRO 94 8.548 -5.567 25.484 728 HB2 PRO 94 1HB PRO 94 9.633 -7.535 27.007 729 HB3 PRO 94 2HB PRO 94 10.277 -5.889 26.962 730 HG2 PRO 94 1HG PRO 94 8.480 -7.166 28.988 731 HG3 PRO 94 2HG PRO 94 9.879 -6.107 29.244 732 HD2 PRO 94 1HD PRO 94 7.328 -5.210 29.381 733 HD3 PRO 94 2HD PRO 94 8.668 -4.194 28.811 734 H ASN 95 H ASN 95 8.329 -7.503 24.322 735 HA ASN 95 HA ASN 95 5.973 -9.099 25.069 736 HB2 ASN 95 1HB ASN 95 6.292 -7.728 22.789 737 HB3 ASN 95 2HB ASN 95 7.076 -9.231 22.310 738 HD21 ASN 95 2HD2 ASN 95 5.558 -9.912 20.885 739 HD22 ASN 95 1HD2 ASN 95 3.950 -10.358 21.333 740 HA PRO 96 HA PRO 96 9.495 -12.003 25.659 741 HB2 PRO 96 1HB PRO 96 8.343 -13.307 27.743 742 HB3 PRO 96 2HB PRO 96 9.276 -11.818 27.938 743 HG2 PRO 96 1HG PRO 96 6.308 -12.192 27.815 744 HG3 PRO 96 2HG PRO 96 7.262 -11.164 28.901 745 HD2 PRO 96 1HD PRO 96 5.979 -10.189 26.725 746 HD3 PRO 96 2HD PRO 96 7.505 -9.504 27.320 747 H ASP 97 H ASP 97 9.473 -13.546 24.148 748 HA ASP 97 HA ASP 97 7.073 -15.235 23.895 749 HB2 ASP 97 1HB ASP 97 8.937 -14.078 21.912 750 HB3 ASP 97 2HB ASP 97 8.446 -15.743 21.614 751 H LYS 98 H LYS 98 7.336 -17.484 23.619 752 HA LYS 98 HA LYS 98 9.342 -18.649 25.221 753 HB2 LYS 98 1HB LYS 98 8.404 -20.776 24.567 754 HB3 LYS 98 2HB LYS 98 7.094 -19.634 24.838 755 HG2 LYS 98 1HG LYS 98 6.398 -19.742 22.715 756 HG3 LYS 98 2HG LYS 98 8.041 -19.739 22.072 757 HD2 LYS 98 1HD LYS 98 7.951 -22.188 23.226 758 HD3 LYS 98 2HD LYS 98 6.267 -21.993 22.733 759 HE2 LYS 98 1HE LYS 98 8.333 -21.260 20.746 760 HE3 LYS 98 2HE LYS 98 8.170 -22.975 21.120 761 HZ1 LYS 98 1HZ LYS 98 6.436 -21.269 19.609 762 HZ2 LYS 98 2HZ LYS 98 5.604 -22.131 20.804 763 HZ3 LYS 98 3HZ LYS 98 6.521 -22.959 19.647 764 H SER 99 H SER 99 10.671 -20.572 24.352 765 HA SER 99 HA SER 99 12.211 -19.579 22.061 766 HB2 SER 99 1HB SER 99 14.073 -20.831 22.914 767 HB3 SER 99 2HB SER 99 13.355 -19.970 24.276 768 HG SER 99 HG SER 99 13.495 -22.681 23.764 769 H GLY 100 H GLY 100 13.280 -21.347 20.723 770 HA2 GLY 100 1HA GLY 100 11.516 -23.678 20.391 771 HA3 GLY 100 2HA GLY 100 11.824 -22.632 19.013 772 HA PRO 101 HA PRO 101 15.019 -26.066 19.256 773 HB2 PRO 101 1HB PRO 101 14.462 -27.158 16.835 774 HB3 PRO 101 2HB PRO 101 13.649 -27.657 18.323 775 HG2 PRO 101 1HG PRO 101 12.709 -25.781 16.188 776 HG3 PRO 101 2HG PRO 101 11.809 -27.049 17.039 777 HD2 PRO 101 1HD PRO 101 11.603 -24.430 17.691 778 HD3 PRO 101 2HD PRO 101 11.452 -25.727 18.894 779 H SER 102 H SER 102 16.644 -26.572 17.399 780 HA SER 102 HA SER 102 17.296 -24.029 16.059 781 HB2 SER 102 1HB SER 102 18.912 -25.878 17.674 782 HB3 SER 102 2HB SER 102 19.674 -25.392 16.160 783 HG SER 102 HG SER 102 18.588 -23.610 18.086 784 H SER 103 H SER 103 18.949 -27.078 15.588 785 HA SER 103 HA SER 103 17.609 -27.576 13.059 786 HB2 SER 103 1HB SER 103 19.584 -27.433 11.695 787 HB3 SER 103 2HB SER 103 19.435 -25.911 12.574 788 HG SER 103 HG SER 103 20.855 -27.345 14.148 789 H GLY 104 H GLY 104 18.660 -29.549 11.959 790 HA2 GLY 104 1HA GLY 104 18.864 -31.612 13.988 791 HA3 GLY 104 2HA GLY 104 18.740 -31.862 12.252 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 4.841 17.869 -4.292 2 HA2 GLY 1 1HA GLY 1 6.582 16.305 -4.567 3 HA3 GLY 1 2HA GLY 1 6.638 16.094 -2.823 4 H SER 2 H SER 2 5.479 14.483 -1.882 5 HA SER 2 HA SER 2 4.126 12.642 -3.719 6 HB2 SER 2 1HB SER 2 6.044 11.884 -2.206 7 HB3 SER 2 2HB SER 2 4.911 12.055 -0.865 8 HG SER 2 HG SER 2 3.889 10.314 -1.498 9 H SER 3 H SER 3 2.206 11.483 -2.877 10 HA SER 3 HA SER 3 0.645 12.968 -0.904 11 HB2 SER 3 1HB SER 3 -1.261 13.237 -2.349 12 HB3 SER 3 2HB SER 3 0.138 13.916 -3.179 13 HG SER 3 HG SER 3 -0.068 12.461 -4.682 14 H GLY 4 H GLY 4 -0.563 11.674 0.354 15 HA2 GLY 4 1HA GLY 4 -0.677 8.823 -0.387 16 HA3 GLY 4 2HA GLY 4 -0.713 9.442 1.257 17 H SER 5 H SER 5 -2.558 7.907 -0.852 18 HA SER 5 HA SER 5 -5.018 9.037 0.267 19 HB2 SER 5 1HB SER 5 -4.236 9.053 -2.555 20 HB3 SER 5 2HB SER 5 -5.810 8.308 -2.275 21 HG SER 5 HG SER 5 -5.561 10.753 -2.554 22 H SER 6 H SER 6 -3.656 6.413 -1.711 23 HA SER 6 HA SER 6 -5.371 4.533 -0.227 24 HB2 SER 6 1HB SER 6 -4.551 3.905 -3.032 25 HB3 SER 6 2HB SER 6 -5.986 3.396 -2.142 26 HG SER 6 HG SER 6 -6.992 5.173 -2.721 27 H GLY 7 H GLY 7 -3.275 4.637 1.078 28 HA2 GLY 7 1HA GLY 7 -1.260 2.817 -0.078 29 HA3 GLY 7 2HA GLY 7 -0.941 3.980 1.200 30 H LEU 8 H LEU 8 -0.110 1.451 1.590 31 HA LEU 8 HA LEU 8 -1.736 0.639 3.851 32 HB2 LEU 8 1HB LEU 8 -1.412 -0.968 1.377 33 HB3 LEU 8 2HB LEU 8 -1.341 -1.818 2.920 34 HG LEU 8 HG LEU 8 -3.651 -0.119 1.984 35 HD11 LEU 8 1HD1 LEU 8 -4.559 -2.682 2.189 36 HD12 LEU 8 2HD1 LEU 8 -2.942 -2.918 1.527 37 HD13 LEU 8 3HD1 LEU 8 -4.096 -1.885 0.685 38 HD21 LEU 8 1HD2 LEU 8 -2.919 -0.929 4.556 39 HD22 LEU 8 2HD2 LEU 8 -4.205 -2.031 4.063 40 HD23 LEU 8 3HD2 LEU 8 -4.479 -0.289 4.038 41 H ILE 9 H ILE 9 -0.436 0.228 5.507 42 HA ILE 9 HA ILE 9 2.405 -0.242 4.986 43 HB ILE 9 HB ILE 9 1.072 0.370 7.624 44 HG12 ILE 9 1HG1 ILE 9 0.842 2.155 5.827 45 HG13 ILE 9 2HG1 ILE 9 1.628 2.659 7.319 46 HG21 ILE 9 1HG2 ILE 9 3.415 1.070 8.226 47 HG22 ILE 9 2HG2 ILE 9 3.173 -0.661 7.995 48 HG23 ILE 9 3HG2 ILE 9 3.943 0.297 6.732 49 HD11 ILE 9 1HD1 ILE 9 2.773 3.554 5.382 50 HD12 ILE 9 2HD1 ILE 9 3.808 2.416 6.246 51 HD13 ILE 9 3HD1 ILE 9 3.012 1.925 4.751 52 H ALA 10 H ALA 10 2.594 -2.400 4.562 53 HA ALA 10 HA ALA 10 1.367 -4.340 6.354 54 HB1 ALA 10 1HB ALA 10 2.667 -4.451 3.689 55 HB2 ALA 10 2HB ALA 10 2.712 -5.904 4.690 56 HB3 ALA 10 3HB ALA 10 1.163 -5.183 4.249 57 H CYS 11 H CYS 11 2.402 -5.379 7.942 58 HA CYS 11 HA CYS 11 5.279 -4.873 8.257 59 HB2 CYS 11 1HB CYS 11 3.391 -4.319 10.044 60 HB3 CYS 11 2HB CYS 11 3.630 -6.010 10.469 61 HG CYS 11 HG CYS 11 5.221 -3.576 11.677 62 H VAL 12 H VAL 12 6.393 -6.485 7.334 63 HA VAL 12 HA VAL 12 5.444 -9.233 7.544 64 HB VAL 12 HB VAL 12 8.048 -8.788 6.267 65 HG11 VAL 12 1HG1 VAL 12 6.807 -10.894 6.139 66 HG12 VAL 12 2HG1 VAL 12 5.482 -10.064 5.321 67 HG13 VAL 12 3HG1 VAL 12 7.060 -10.194 4.541 68 HG21 VAL 12 1HG2 VAL 12 5.578 -7.408 5.245 69 HG22 VAL 12 2HG2 VAL 12 7.159 -6.703 5.577 70 HG23 VAL 12 3HG2 VAL 12 6.952 -7.804 4.214 71 H ALA 13 H ALA 13 6.458 -10.840 8.662 72 HA ALA 13 HA ALA 13 8.467 -9.977 10.610 73 HB1 ALA 13 1HB ALA 13 7.743 -11.660 12.008 74 HB2 ALA 13 2HB ALA 13 6.253 -11.233 11.166 75 HB3 ALA 13 3HB ALA 13 7.163 -12.663 10.678 76 H ASN 14 H ASN 14 8.231 -11.658 7.689 77 HA ASN 14 HA ASN 14 10.485 -13.417 8.183 78 HB2 ASN 14 1HB ASN 14 8.322 -13.385 6.361 79 HB3 ASN 14 2HB ASN 14 9.789 -13.227 5.399 80 HD21 ASN 14 2HD2 ASN 14 8.092 -15.442 5.314 81 HD22 ASN 14 1HD2 ASN 14 8.952 -16.814 5.918 82 H ASP 15 H ASP 15 12.394 -12.406 8.335 83 HA ASP 15 HA ASP 15 13.076 -10.001 7.037 84 HB2 ASP 15 1HB ASP 15 15.116 -10.185 8.087 85 HB3 ASP 15 2HB ASP 15 14.161 -11.275 9.088 86 H ASP 16 H ASP 16 12.749 -13.105 5.811 87 HA ASP 16 HA ASP 16 14.825 -13.004 3.832 88 HB2 ASP 16 1HB ASP 16 12.372 -14.754 3.737 89 HB3 ASP 16 2HB ASP 16 13.956 -15.061 3.029 90 H VAL 17 H VAL 17 11.720 -11.649 4.138 91 HA VAL 17 HA VAL 17 11.052 -11.532 1.358 92 HB VAL 17 HB VAL 17 9.975 -10.149 3.801 93 HG11 VAL 17 1HG1 VAL 17 9.232 -9.654 0.924 94 HG12 VAL 17 2HG1 VAL 17 8.210 -9.209 2.292 95 HG13 VAL 17 3HG1 VAL 17 9.806 -8.479 2.107 96 HG21 VAL 17 1HG2 VAL 17 7.890 -11.374 2.957 97 HG22 VAL 17 2HG2 VAL 17 8.993 -12.264 1.909 98 HG23 VAL 17 3HG2 VAL 17 9.180 -12.347 3.661 99 H PHE 18 H PHE 18 13.184 -9.802 3.365 100 HA PHE 18 HA PHE 18 13.137 -7.400 1.716 101 HB2 PHE 18 1HB PHE 18 14.844 -8.087 4.119 102 HB3 PHE 18 2HB PHE 18 14.776 -6.518 3.322 103 HD1 PHE 18 2HD PHE 18 12.706 -8.985 5.162 104 HD2 PHE 18 1HD PHE 18 13.197 -4.932 3.959 105 HE1 PHE 18 2HE PHE 18 10.842 -8.327 6.628 106 HE2 PHE 18 1HE PHE 18 11.336 -4.268 5.424 107 HZ PHE 18 HZ PHE 18 10.155 -5.966 6.760 108 H SER 19 H SER 19 13.859 -9.654 0.287 109 HA SER 19 HA SER 19 16.631 -8.996 -0.395 110 HB2 SER 19 1HB SER 19 15.589 -11.654 0.450 111 HB3 SER 19 2HB SER 19 16.751 -11.623 -0.877 112 HG SER 19 HG SER 19 17.549 -11.751 1.412 113 H GLU 20 H GLU 20 17.242 -9.731 -2.567 114 HA GLU 20 HA GLU 20 15.007 -9.400 -4.396 115 HB2 GLU 20 1HB GLU 20 17.986 -9.518 -4.892 116 HB3 GLU 20 2HB GLU 20 16.775 -9.210 -6.129 117 HG2 GLU 20 1HG GLU 20 16.056 -7.228 -4.714 118 HG3 GLU 20 2HG GLU 20 17.548 -7.476 -3.807 119 H SER 21 H SER 21 16.588 -11.948 -2.963 120 HA SER 21 HA SER 21 17.117 -13.856 -4.814 121 HB2 SER 21 1HB SER 21 16.233 -15.532 -3.148 122 HB3 SER 21 2HB SER 21 17.370 -14.362 -2.480 123 HG SER 21 HG SER 21 15.116 -14.873 -1.461 124 H GLU 22 H GLU 22 13.919 -13.847 -3.250 125 HA GLU 22 HA GLU 22 12.433 -13.741 -5.649 126 HB2 GLU 22 1HB GLU 22 13.456 -16.349 -4.874 127 HB3 GLU 22 2HB GLU 22 11.699 -16.333 -4.943 128 HG2 GLU 22 1HG GLU 22 11.776 -16.509 -7.140 129 HG3 GLU 22 2HG GLU 22 12.664 -14.989 -7.240 130 H THR 23 H THR 23 12.615 -14.830 -2.310 131 HA THR 23 HA THR 23 10.030 -15.166 -1.571 132 HB THR 23 HB THR 23 11.963 -13.502 0.049 133 HG1 THR 23 1HG THR 23 13.134 -15.253 0.130 134 HG21 THR 23 1HG2 THR 23 9.332 -14.318 0.550 135 HG22 THR 23 2HG2 THR 23 10.485 -13.664 1.713 136 HG23 THR 23 3HG2 THR 23 10.349 -15.408 1.491 137 H ARG 24 H ARG 24 11.657 -12.064 -2.076 138 HA ARG 24 HA ARG 24 9.678 -10.346 -1.171 139 HB2 ARG 24 1HB ARG 24 11.928 -9.611 -1.836 140 HB3 ARG 24 2HB ARG 24 11.538 -9.943 -3.520 141 HG2 ARG 24 1HG ARG 24 9.512 -8.268 -2.798 142 HG3 ARG 24 2HG ARG 24 10.863 -7.644 -1.849 143 HD2 ARG 24 1HD ARG 24 11.955 -8.136 -4.349 144 HD3 ARG 24 2HD ARG 24 10.358 -7.475 -4.699 145 HE ARG 24 HE ARG 24 11.563 -5.873 -2.751 146 HH11 ARG 24 2HH1 ARG 24 11.965 -6.720 -6.104 147 HH12 ARG 24 1HH1 ARG 24 12.691 -5.207 -6.534 148 HH21 ARG 24 2HH2 ARG 24 12.518 -3.877 -3.305 149 HH22 ARG 24 1HH2 ARG 24 13.006 -3.591 -4.941 150 H ALA 25 H ALA 25 10.085 -11.769 -4.397 151 HA ALA 25 HA ALA 25 7.994 -10.495 -5.705 152 HB1 ALA 25 1HB ALA 25 8.680 -11.762 -7.393 153 HB2 ALA 25 2HB ALA 25 9.784 -12.571 -6.278 154 HB3 ALA 25 3HB ALA 25 8.173 -13.232 -6.560 155 H LYS 26 H LYS 26 7.952 -13.298 -3.577 156 HA LYS 26 HA LYS 26 5.298 -14.108 -4.073 157 HB2 LYS 26 1HB LYS 26 7.089 -14.466 -1.670 158 HB3 LYS 26 2HB LYS 26 5.498 -15.205 -1.802 159 HG2 LYS 26 1HG LYS 26 6.161 -16.660 -3.462 160 HG3 LYS 26 2HG LYS 26 7.516 -15.642 -3.957 161 HD2 LYS 26 1HD LYS 26 8.237 -16.202 -1.418 162 HD3 LYS 26 2HD LYS 26 7.342 -17.669 -1.821 163 HE2 LYS 26 1HE LYS 26 8.751 -17.708 -3.960 164 HE3 LYS 26 2HE LYS 26 9.781 -16.529 -3.151 165 HZ1 LYS 26 1HZ LYS 26 10.767 -18.174 -2.077 166 HZ2 LYS 26 2HZ LYS 26 9.788 -19.307 -2.864 167 HZ3 LYS 26 3HZ LYS 26 9.297 -18.649 -1.384 168 H PHE 27 H PHE 27 6.667 -11.611 -2.070 169 HA PHE 27 HA PHE 27 4.226 -11.158 -0.594 170 HB2 PHE 27 1HB PHE 27 6.203 -10.676 0.617 171 HB3 PHE 27 2HB PHE 27 6.883 -9.743 -0.711 172 HD1 PHE 27 1HD PHE 27 5.824 -7.532 -1.296 173 HD2 PHE 27 2HD PHE 27 4.916 -9.655 2.280 174 HE1 PHE 27 1HE PHE 27 4.934 -5.466 -0.300 175 HE2 PHE 27 2HE PHE 27 4.024 -7.592 3.282 176 HZ PHE 27 HZ PHE 27 4.031 -5.494 1.992 177 H GLU 28 H GLU 28 5.984 -9.626 -3.249 178 HA GLU 28 HA GLU 28 4.253 -7.389 -3.493 179 HB2 GLU 28 1HB GLU 28 6.576 -8.447 -4.860 180 HB3 GLU 28 2HB GLU 28 5.386 -7.853 -6.010 181 HG2 GLU 28 1HG GLU 28 5.344 -5.701 -4.804 182 HG3 GLU 28 2HG GLU 28 6.613 -6.306 -3.740 183 H SER 29 H SER 29 4.609 -10.262 -5.582 184 HA SER 29 HA SER 29 2.624 -9.950 -7.361 185 HB2 SER 29 1HB SER 29 4.044 -11.965 -7.231 186 HB3 SER 29 2HB SER 29 3.122 -12.519 -5.834 187 HG SER 29 HG SER 29 2.507 -12.641 -8.496 188 H LEU 30 H LEU 30 2.178 -10.883 -3.986 189 HA LEU 30 HA LEU 30 -0.489 -11.559 -3.961 190 HB2 LEU 30 1HB LEU 30 1.203 -10.113 -1.946 191 HB3 LEU 30 2HB LEU 30 -0.479 -10.529 -1.622 192 HG LEU 30 HG LEU 30 1.633 -12.563 -2.317 193 HD11 LEU 30 1HD1 LEU 30 2.478 -12.199 -0.291 194 HD12 LEU 30 2HD1 LEU 30 0.985 -12.890 0.342 195 HD13 LEU 30 3HD1 LEU 30 1.142 -11.143 0.168 196 HD21 LEU 30 1HD2 LEU 30 0.002 -14.076 -2.224 197 HD22 LEU 30 2HD2 LEU 30 -1.134 -12.728 -2.278 198 HD23 LEU 30 3HD2 LEU 30 -0.638 -13.402 -0.725 199 H PHE 31 H PHE 31 0.916 -8.306 -3.693 200 HA PHE 31 HA PHE 31 -1.699 -7.069 -3.722 201 HB2 PHE 31 1HB PHE 31 0.985 -5.704 -3.952 202 HB3 PHE 31 2HB PHE 31 -0.543 -4.987 -3.451 203 HD1 PHE 31 2HD PHE 31 2.159 -7.285 -2.463 204 HD2 PHE 31 1HD PHE 31 -1.306 -5.152 -1.212 205 HE1 PHE 31 2HE PHE 31 2.705 -7.780 -0.115 206 HE2 PHE 31 1HE PHE 31 -0.765 -5.644 1.137 207 HZ PHE 31 HZ PHE 31 1.242 -6.960 1.688 208 H ARG 32 H ARG 32 1.163 -7.044 -5.843 209 HA ARG 32 HA ARG 32 0.286 -5.487 -7.899 210 HB2 ARG 32 1HB ARG 32 2.413 -7.177 -7.518 211 HB3 ARG 32 2HB ARG 32 1.561 -7.956 -8.845 212 HG2 ARG 32 1HG ARG 32 2.106 -5.030 -8.981 213 HG3 ARG 32 2HG ARG 32 3.406 -6.176 -9.315 214 HD2 ARG 32 1HD ARG 32 1.717 -7.290 -10.909 215 HD3 ARG 32 2HD ARG 32 0.818 -5.779 -10.776 216 HE ARG 32 HE ARG 32 2.342 -4.820 -12.173 217 HH11 ARG 32 2HH1 ARG 32 3.770 -7.663 -10.757 218 HH12 ARG 32 1HH1 ARG 32 5.216 -7.568 -11.706 219 HH21 ARG 32 2HH2 ARG 32 4.241 -4.684 -13.428 220 HH22 ARG 32 1HH2 ARG 32 5.484 -5.873 -13.224 221 H THR 33 H THR 33 -0.408 -8.939 -7.448 222 HA THR 33 HA THR 33 -1.705 -9.652 -9.693 223 HB THR 33 HB THR 33 -1.488 -10.979 -7.511 224 HG1 THR 33 1HG THR 33 -2.533 -11.832 -9.354 225 HG21 THR 33 1HG2 THR 33 -4.244 -9.862 -7.010 226 HG22 THR 33 2HG2 THR 33 -2.798 -9.292 -6.177 227 HG23 THR 33 3HG2 THR 33 -3.324 -10.965 -5.989 228 H TYR 34 H TYR 34 -2.896 -7.404 -7.287 229 HA TYR 34 HA TYR 34 -5.506 -7.211 -8.537 230 HB2 TYR 34 1HB TYR 34 -4.459 -5.378 -6.393 231 HB3 TYR 34 2HB TYR 34 -6.126 -5.827 -6.735 232 HD1 TYR 34 2HD TYR 34 -6.434 -8.549 -6.629 233 HD2 TYR 34 1HD TYR 34 -3.598 -6.247 -4.448 234 HE1 TYR 34 2HE TYR 34 -6.307 -10.325 -4.933 235 HE2 TYR 34 1HE TYR 34 -3.463 -8.016 -2.745 236 HH TYR 34 HH TYR 34 -4.694 -9.874 -1.917 237 H ASP 35 H ASP 35 -3.154 -4.696 -7.620 238 HA ASP 35 HA ASP 35 -3.904 -3.229 -10.054 239 HB2 ASP 35 1HB ASP 35 -3.813 -2.369 -7.440 240 HB3 ASP 35 2HB ASP 35 -2.275 -1.798 -8.083 241 H LYS 36 H LYS 36 -2.361 -2.461 -11.469 242 HA LYS 36 HA LYS 36 0.217 -3.823 -11.334 243 HB2 LYS 36 1HB LYS 36 -1.143 -2.300 -13.562 244 HB3 LYS 36 2HB LYS 36 0.452 -3.027 -13.698 245 HG2 LYS 36 1HG LYS 36 -1.104 -5.106 -12.790 246 HG3 LYS 36 2HG LYS 36 -2.177 -4.245 -13.896 247 HD2 LYS 36 1HD LYS 36 -1.146 -5.288 -15.572 248 HD3 LYS 36 2HD LYS 36 0.291 -4.333 -15.196 249 HE2 LYS 36 1HE LYS 36 1.310 -6.280 -14.813 250 HE3 LYS 36 2HE LYS 36 0.365 -6.358 -13.327 251 HZ1 LYS 36 1HZ LYS 36 -1.404 -7.447 -14.774 252 HZ2 LYS 36 2HZ LYS 36 -0.042 -8.373 -14.389 253 HZ3 LYS 36 3HZ LYS 36 -0.179 -7.667 -15.919 254 H ASP 37 H ASP 37 -1.169 -0.665 -11.057 255 HA ASP 37 HA ASP 37 1.429 0.646 -11.269 256 HB2 ASP 37 1HB ASP 37 -1.302 1.449 -11.657 257 HB3 ASP 37 2HB ASP 37 -0.548 2.498 -10.459 258 H THR 38 H THR 38 0.787 -1.213 -9.072 259 HA THR 38 HA THR 38 0.539 0.475 -6.726 260 HB THR 38 HB THR 38 1.201 -1.991 -5.750 261 HG1 THR 38 1HG THR 38 -0.374 -2.459 -8.076 262 HG21 THR 38 1HG2 THR 38 -1.366 -0.623 -6.391 263 HG22 THR 38 2HG2 THR 38 -0.679 -1.058 -4.825 264 HG23 THR 38 3HG2 THR 38 -1.424 -2.296 -5.838 265 H THR 39 H THR 39 2.193 1.346 -5.675 266 HA THR 39 HA THR 39 4.908 0.462 -6.337 267 HB THR 39 HB THR 39 5.678 2.577 -5.401 268 HG1 THR 39 1HG THR 39 2.921 3.105 -4.890 269 HG21 THR 39 1HG2 THR 39 5.036 3.912 -7.165 270 HG22 THR 39 2HG2 THR 39 3.353 3.391 -7.087 271 HG23 THR 39 3HG2 THR 39 4.577 2.322 -7.774 272 H PHE 40 H PHE 40 6.244 -0.438 -4.877 273 HA PHE 40 HA PHE 40 5.220 -0.759 -2.135 274 HB2 PHE 40 1HB PHE 40 7.203 -2.530 -3.576 275 HB3 PHE 40 2HB PHE 40 6.457 -2.835 -2.010 276 HD1 PHE 40 1HD PHE 40 5.477 -2.169 -5.547 277 HD2 PHE 40 2HD PHE 40 4.656 -4.254 -1.929 278 HE1 PHE 40 1HE PHE 40 3.643 -3.374 -6.661 279 HE2 PHE 40 2HE PHE 40 2.823 -5.463 -3.037 280 HZ PHE 40 HZ PHE 40 2.315 -5.025 -5.406 281 H GLN 41 H GLN 41 6.495 -0.265 -0.408 282 HA GLN 41 HA GLN 41 9.215 0.707 -0.963 283 HB2 GLN 41 1HB GLN 41 7.406 2.525 -0.641 284 HB3 GLN 41 2HB GLN 41 7.432 2.049 1.052 285 HG2 GLN 41 1HG GLN 41 9.421 3.021 1.436 286 HG3 GLN 41 2HG GLN 41 10.059 2.589 -0.149 287 HE21 GLN 41 2HE2 GLN 41 9.319 5.116 1.724 288 HE22 GLN 41 1HE2 GLN 41 8.943 6.300 0.523 289 H TYR 42 H TYR 42 10.452 -0.784 -0.001 290 HA TYR 42 HA TYR 42 9.641 -1.984 2.516 291 HB2 TYR 42 1HB TYR 42 12.056 -2.444 0.755 292 HB3 TYR 42 2HB TYR 42 11.718 -3.341 2.232 293 HD1 TYR 42 1HD TYR 42 10.580 -2.702 -1.218 294 HD2 TYR 42 2HD TYR 42 10.094 -5.092 2.268 295 HE1 TYR 42 1HE TYR 42 9.212 -4.291 -2.506 296 HE2 TYR 42 2HE TYR 42 8.726 -6.688 0.989 297 HH TYR 42 HH TYR 42 8.204 -6.286 -2.490 298 H PHE 43 H PHE 43 10.540 -1.611 4.476 299 HA PHE 43 HA PHE 43 12.530 0.553 4.621 300 HB2 PHE 43 1HB PHE 43 10.419 -0.319 6.600 301 HB3 PHE 43 2HB PHE 43 11.667 0.869 6.962 302 HD1 PHE 43 1HD PHE 43 8.760 0.165 4.791 303 HD2 PHE 43 2HD PHE 43 11.441 3.110 6.292 304 HE1 PHE 43 1HE PHE 43 7.334 1.935 3.852 305 HE2 PHE 43 2HE PHE 43 10.019 4.886 5.356 306 HZ PHE 43 HZ PHE 43 7.963 4.300 4.135 307 H LYS 44 H LYS 44 14.457 -0.485 4.656 308 HA LYS 44 HA LYS 44 14.888 -2.898 6.142 309 HB2 LYS 44 1HB LYS 44 17.032 -1.081 5.057 310 HB3 LYS 44 2HB LYS 44 17.123 -2.813 5.346 311 HG2 LYS 44 1HG LYS 44 15.045 -2.584 3.555 312 HG3 LYS 44 2HG LYS 44 16.191 -1.356 3.013 313 HD2 LYS 44 1HD LYS 44 17.296 -4.013 3.724 314 HD3 LYS 44 2HD LYS 44 16.338 -3.910 2.244 315 HE2 LYS 44 1HE LYS 44 18.197 -1.707 2.454 316 HE3 LYS 44 2HE LYS 44 19.030 -3.256 2.561 317 HZ1 LYS 44 1HZ LYS 44 18.344 -2.058 0.264 318 HZ2 LYS 44 2HZ LYS 44 17.032 -3.102 0.479 319 HZ3 LYS 44 3HZ LYS 44 18.606 -3.721 0.427 320 H SER 45 H SER 45 13.857 -1.239 7.958 321 HA SER 45 HA SER 45 15.951 -1.049 9.907 322 HB2 SER 45 1HB SER 45 16.415 1.072 8.932 323 HB3 SER 45 2HB SER 45 14.702 1.466 8.798 324 HG SER 45 HG SER 45 15.748 0.935 11.336 325 H PHE 46 H PHE 46 12.629 -0.337 8.987 326 HA PHE 46 HA PHE 46 11.804 -0.882 11.762 327 HB2 PHE 46 1HB PHE 46 10.288 0.711 9.686 328 HB3 PHE 46 2HB PHE 46 9.839 0.489 11.374 329 HD1 PHE 46 2HD PHE 46 11.827 1.180 13.056 330 HD2 PHE 46 1HD PHE 46 11.225 2.721 9.134 331 HE1 PHE 46 2HE PHE 46 13.093 3.202 13.659 332 HE2 PHE 46 1HE PHE 46 12.491 4.744 9.731 333 HZ PHE 46 HZ PHE 46 13.425 4.988 11.997 334 H LYS 47 H LYS 47 12.244 -2.624 9.271 335 HA LYS 47 HA LYS 47 11.185 -4.302 8.113 336 HB2 LYS 47 1HB LYS 47 10.274 -4.602 10.965 337 HB3 LYS 47 2HB LYS 47 9.810 -5.766 9.732 338 HG2 LYS 47 1HG LYS 47 12.688 -5.106 9.971 339 HG3 LYS 47 2HG LYS 47 11.958 -6.083 11.247 340 HD2 LYS 47 1HD LYS 47 11.011 -7.501 9.312 341 HD3 LYS 47 2HD LYS 47 12.226 -6.691 8.321 342 HE2 LYS 47 1HE LYS 47 13.374 -8.566 8.992 343 HE3 LYS 47 2HE LYS 47 13.846 -7.414 10.240 344 HZ1 LYS 47 1HZ LYS 47 11.614 -9.347 10.531 345 HZ2 LYS 47 2HZ LYS 47 12.263 -8.352 11.734 346 HZ3 LYS 47 3HZ LYS 47 13.183 -9.623 11.101 347 H ARG 48 H ARG 48 9.870 -1.903 7.657 348 HA ARG 48 HA ARG 48 7.028 -2.674 7.714 349 HB2 ARG 48 1HB ARG 48 8.424 -0.053 7.907 350 HB3 ARG 48 2HB ARG 48 6.880 -0.087 7.067 351 HG2 ARG 48 1HG ARG 48 5.775 -0.949 9.017 352 HG3 ARG 48 2HG ARG 48 7.317 -1.114 9.861 353 HD2 ARG 48 1HD ARG 48 6.951 1.571 8.865 354 HD3 ARG 48 2HD ARG 48 5.602 1.085 9.892 355 HE ARG 48 HE ARG 48 8.268 1.670 10.724 356 HH11 ARG 48 2HH1 ARG 48 5.468 -0.274 11.439 357 HH12 ARG 48 1HH1 ARG 48 5.849 -0.436 13.121 358 HH21 ARG 48 2HH2 ARG 48 8.779 1.462 12.938 359 HH22 ARG 48 1HH2 ARG 48 7.732 0.553 13.973 360 H VAL 49 H VAL 49 5.742 -2.092 5.824 361 HA VAL 49 HA VAL 49 7.237 -1.727 3.339 362 HB VAL 49 HB VAL 49 5.209 -3.944 3.579 363 HG11 VAL 49 1HG1 VAL 49 7.074 -4.376 1.515 364 HG12 VAL 49 2HG1 VAL 49 5.365 -3.959 1.364 365 HG13 VAL 49 3HG1 VAL 49 6.586 -2.685 1.408 366 HG21 VAL 49 1HG2 VAL 49 8.208 -4.250 3.604 367 HG22 VAL 49 2HG2 VAL 49 7.184 -4.369 5.036 368 HG23 VAL 49 3HG2 VAL 49 7.003 -5.533 3.723 369 H ARG 50 H ARG 50 6.320 0.124 2.679 370 HA ARG 50 HA ARG 50 3.447 0.515 2.950 371 HB2 ARG 50 1HB ARG 50 5.177 2.309 3.464 372 HB3 ARG 50 2HB ARG 50 5.435 2.425 1.728 373 HG2 ARG 50 1HG ARG 50 2.762 2.680 1.811 374 HG3 ARG 50 2HG ARG 50 3.188 3.370 3.379 375 HD2 ARG 50 1HD ARG 50 4.932 4.299 1.251 376 HD3 ARG 50 2HD ARG 50 3.237 4.669 0.934 377 HE ARG 50 HE ARG 50 3.732 5.395 3.559 378 HH11 ARG 50 2HH1 ARG 50 4.857 6.285 0.388 379 HH12 ARG 50 1HH1 ARG 50 5.212 7.923 0.831 380 HH21 ARG 50 2HH2 ARG 50 4.195 7.548 4.155 381 HH22 ARG 50 1HH2 ARG 50 4.837 8.639 2.974 382 H ILE 51 H ILE 51 2.121 -0.150 1.405 383 HA ILE 51 HA ILE 51 3.122 -0.261 -1.364 384 HB ILE 51 HB ILE 51 0.755 -1.792 -0.304 385 HG12 ILE 51 1HG1 ILE 51 3.051 -3.453 -0.784 386 HG13 ILE 51 2HG1 ILE 51 3.471 -2.196 0.375 387 HG21 ILE 51 1HG2 ILE 51 1.275 -1.313 -2.825 388 HG22 ILE 51 2HG2 ILE 51 2.454 -2.606 -2.613 389 HG23 ILE 51 3HG2 ILE 51 0.745 -2.914 -2.309 390 HD11 ILE 51 1HD1 ILE 51 2.013 -4.590 0.794 391 HD12 ILE 51 2HD1 ILE 51 2.487 -3.362 1.968 392 HD13 ILE 51 3HD1 ILE 51 0.948 -3.223 1.118 393 H ASN 52 H ASN 52 2.516 1.607 -2.299 394 HA ASN 52 HA ASN 52 -0.064 2.796 -1.736 395 HB2 ASN 52 1HB ASN 52 2.447 3.648 -2.972 396 HB3 ASN 52 2HB ASN 52 1.023 4.225 -3.834 397 HD21 ASN 52 2HD2 ASN 52 1.446 6.352 -3.245 398 HD22 ASN 52 1HD2 ASN 52 1.167 6.931 -1.641 399 H PHE 53 H PHE 53 -1.829 2.752 -3.014 400 HA PHE 53 HA PHE 53 -1.647 1.161 -5.482 401 HB2 PHE 53 1HB PHE 53 -4.038 1.669 -3.698 402 HB3 PHE 53 2HB PHE 53 -4.051 0.699 -5.167 403 HD1 PHE 53 2HD PHE 53 -2.217 0.934 -1.928 404 HD2 PHE 53 1HD PHE 53 -3.834 -1.575 -4.962 405 HE1 PHE 53 2HE PHE 53 -1.591 -1.051 -0.616 406 HE2 PHE 53 1HE PHE 53 -3.211 -3.564 -3.655 407 HZ PHE 53 HZ PHE 53 -2.086 -3.303 -1.479 408 H SER 54 H SER 54 -3.755 1.753 -6.896 409 HA SER 54 HA SER 54 -3.380 4.574 -7.563 410 HB2 SER 54 1HB SER 54 -3.106 3.334 -9.508 411 HB3 SER 54 2HB SER 54 -4.353 2.169 -9.064 412 HG SER 54 HG SER 54 -4.877 3.767 -10.764 413 H ASN 55 H ASN 55 -5.558 2.608 -5.924 414 HA ASN 55 HA ASN 55 -7.442 4.769 -5.657 415 HB2 ASN 55 1HB ASN 55 -9.346 3.023 -6.233 416 HB3 ASN 55 2HB ASN 55 -8.600 4.002 -7.493 417 HD21 ASN 55 2HD2 ASN 55 -8.180 0.905 -5.820 418 HD22 ASN 55 1HD2 ASN 55 -7.687 0.021 -7.219 419 HA PRO 56 HA PRO 56 -7.945 3.000 -1.670 420 HB2 PRO 56 1HB PRO 56 -10.460 3.815 -1.053 421 HB3 PRO 56 2HB PRO 56 -9.078 4.916 -1.097 422 HG2 PRO 56 1HG PRO 56 -11.189 4.442 -3.166 423 HG3 PRO 56 2HG PRO 56 -10.487 5.975 -2.613 424 HD2 PRO 56 1HD PRO 56 -9.723 4.767 -4.914 425 HD3 PRO 56 2HD PRO 56 -8.608 5.730 -3.924 426 H LEU 57 H LEU 57 -9.618 1.882 -4.332 427 HA LEU 57 HA LEU 57 -11.468 0.124 -3.036 428 HB2 LEU 57 1HB LEU 57 -10.378 0.158 -5.845 429 HB3 LEU 57 2HB LEU 57 -11.666 -0.908 -5.287 430 HG LEU 57 HG LEU 57 -12.095 1.993 -4.897 431 HD11 LEU 57 1HD1 LEU 57 -12.333 2.602 -7.068 432 HD12 LEU 57 2HD1 LEU 57 -12.723 0.968 -7.603 433 HD13 LEU 57 3HD1 LEU 57 -11.049 1.412 -7.276 434 HD21 LEU 57 1HD2 LEU 57 -14.150 0.461 -6.230 435 HD22 LEU 57 2HD2 LEU 57 -14.203 1.314 -4.688 436 HD23 LEU 57 3HD2 LEU 57 -13.600 -0.342 -4.760 437 H SER 58 H SER 58 -8.696 -0.707 -5.119 438 HA SER 58 HA SER 58 -8.440 -3.341 -4.380 439 HB2 SER 58 1HB SER 58 -7.005 -1.582 -5.975 440 HB3 SER 58 2HB SER 58 -5.834 -2.084 -4.756 441 HG SER 58 HG SER 58 -6.102 -3.432 -6.741 442 H ALA 59 H ALA 59 -7.079 -0.490 -2.801 443 HA ALA 59 HA ALA 59 -5.351 -1.591 -0.992 444 HB1 ALA 59 1HB ALA 59 -5.650 0.794 -1.168 445 HB2 ALA 59 2HB ALA 59 -7.290 0.670 -0.531 446 HB3 ALA 59 3HB ALA 59 -5.912 0.295 0.504 447 H ALA 60 H ALA 60 -8.808 -1.857 -1.052 448 HA ALA 60 HA ALA 60 -9.013 -2.813 1.668 449 HB1 ALA 60 1HB ALA 60 -11.066 -2.023 1.346 450 HB2 ALA 60 2HB ALA 60 -10.841 -1.957 -0.402 451 HB3 ALA 60 3HB ALA 60 -11.380 -3.453 0.362 452 H ASP 61 H ASP 61 -9.869 -4.272 -1.477 453 HA ASP 61 HA ASP 61 -10.207 -6.869 -0.670 454 HB2 ASP 61 1HB ASP 61 -9.948 -5.524 -3.132 455 HB3 ASP 61 2HB ASP 61 -8.800 -6.859 -3.184 456 H ALA 62 H ALA 62 -7.221 -5.123 -1.103 457 HA ALA 62 HA ALA 62 -5.459 -7.329 -1.169 458 HB1 ALA 62 1HB ALA 62 -4.619 -5.246 -1.899 459 HB2 ALA 62 2HB ALA 62 -5.070 -4.450 -0.390 460 HB3 ALA 62 3HB ALA 62 -3.753 -5.624 -0.408 461 H ARG 63 H ARG 63 -6.651 -5.317 1.501 462 HA ARG 63 HA ARG 63 -5.133 -6.518 3.538 463 HB2 ARG 63 1HB ARG 63 -6.665 -4.360 3.495 464 HB3 ARG 63 2HB ARG 63 -7.870 -5.480 4.116 465 HG2 ARG 63 1HG ARG 63 -6.752 -5.802 6.098 466 HG3 ARG 63 2HG ARG 63 -5.190 -5.352 5.412 467 HD2 ARG 63 1HD ARG 63 -5.525 -3.142 5.753 468 HD3 ARG 63 2HD ARG 63 -7.252 -3.246 5.411 469 HE ARG 63 HE ARG 63 -6.001 -3.362 7.972 470 HH11 ARG 63 2HH1 ARG 63 -8.728 -4.492 6.128 471 HH12 ARG 63 1HH1 ARG 63 -9.740 -4.719 7.517 472 HH21 ARG 63 2HH2 ARG 63 -7.323 -3.657 9.808 473 HH22 ARG 63 1HH2 ARG 63 -8.940 -4.243 9.609 474 H LEU 64 H LEU 64 -8.430 -7.178 2.393 475 HA LEU 64 HA LEU 64 -9.020 -9.224 4.224 476 HB2 LEU 64 1HB LEU 64 -10.984 -9.277 3.175 477 HB3 LEU 64 2HB LEU 64 -10.369 -7.921 2.232 478 HG LEU 64 HG LEU 64 -9.518 -9.695 0.589 479 HD11 LEU 64 1HD1 LEU 64 -10.056 -11.852 0.832 480 HD12 LEU 64 2HD1 LEU 64 -11.679 -11.483 1.413 481 HD13 LEU 64 3HD1 LEU 64 -10.314 -11.441 2.528 482 HD21 LEU 64 1HD2 LEU 64 -11.669 -8.164 0.554 483 HD22 LEU 64 2HD2 LEU 64 -12.490 -9.722 0.679 484 HD23 LEU 64 3HD2 LEU 64 -11.399 -9.404 -0.671 485 H ARG 65 H ARG 65 -7.429 -9.268 1.083 486 HA ARG 65 HA ARG 65 -7.284 -12.143 0.983 487 HB2 ARG 65 1HB ARG 65 -6.351 -9.887 -0.725 488 HB3 ARG 65 2HB ARG 65 -5.536 -11.436 -0.895 489 HG2 ARG 65 1HG ARG 65 -8.238 -12.070 -0.922 490 HG3 ARG 65 2HG ARG 65 -8.113 -10.590 -1.876 491 HD2 ARG 65 1HD ARG 65 -6.939 -11.595 -3.523 492 HD3 ARG 65 2HD ARG 65 -6.055 -12.631 -2.403 493 HE ARG 65 HE ARG 65 -8.715 -13.488 -2.483 494 HH11 ARG 65 2HH1 ARG 65 -5.917 -13.330 -4.547 495 HH12 ARG 65 1HH1 ARG 65 -6.365 -14.719 -5.481 496 HH21 ARG 65 2HH2 ARG 65 -9.316 -15.319 -3.703 497 HH22 ARG 65 1HH2 ARG 65 -8.299 -15.849 -5.000 498 H LEU 66 H LEU 66 -5.515 -9.678 2.499 499 HA LEU 66 HA LEU 66 -3.305 -11.555 3.013 500 HB2 LEU 66 1HB LEU 66 -2.970 -8.571 2.935 501 HB3 LEU 66 2HB LEU 66 -1.717 -9.810 2.966 502 HG LEU 66 HG LEU 66 -3.582 -9.509 0.630 503 HD11 LEU 66 1HD1 LEU 66 -2.623 -7.362 0.769 504 HD12 LEU 66 2HD1 LEU 66 -1.664 -8.240 -0.423 505 HD13 LEU 66 3HD1 LEU 66 -1.043 -8.011 1.212 506 HD21 LEU 66 1HD2 LEU 66 -2.104 -10.863 -0.506 507 HD22 LEU 66 2HD2 LEU 66 -2.030 -11.546 1.118 508 HD23 LEU 66 3HD2 LEU 66 -0.755 -10.464 0.556 509 H HIS 67 H HIS 67 -2.115 -9.455 4.778 510 HA HIS 67 HA HIS 67 -2.327 -8.586 6.902 511 HB2 HIS 67 1HB HIS 67 -4.877 -8.459 6.195 512 HB3 HIS 67 2HB HIS 67 -5.020 -9.808 7.319 513 HD1 HIS 67 1HD HIS 67 -2.431 -7.770 8.633 514 HD2 HIS 67 2HD HIS 67 -6.577 -7.516 8.564 515 HE1 HIS 67 1HE HIS 67 -3.038 -6.177 10.483 516 H LYS 68 H LYS 68 -3.944 -10.085 8.945 517 HA LYS 68 HA LYS 68 -2.134 -11.590 10.196 518 HB2 LYS 68 1HB LYS 68 -5.076 -12.187 9.890 519 HB3 LYS 68 2HB LYS 68 -4.038 -13.064 11.007 520 HG2 LYS 68 1HG LYS 68 -4.117 -11.430 12.513 521 HG3 LYS 68 2HG LYS 68 -3.786 -10.189 11.302 522 HD2 LYS 68 1HD LYS 68 -5.904 -9.596 11.988 523 HD3 LYS 68 2HD LYS 68 -6.268 -10.628 10.604 524 HE2 LYS 68 1HE LYS 68 -7.430 -12.005 11.902 525 HE3 LYS 68 2HE LYS 68 -6.024 -12.254 12.938 526 HZ1 LYS 68 1HZ LYS 68 -8.056 -11.356 14.063 527 HZ2 LYS 68 2HZ LYS 68 -7.828 -9.917 13.205 528 HZ3 LYS 68 3HZ LYS 68 -6.649 -10.445 14.296 529 H THR 69 H THR 69 -3.872 -12.563 7.322 530 HA THR 69 HA THR 69 -3.688 -15.203 7.083 531 HB THR 69 HB THR 69 -3.043 -14.964 4.699 532 HG1 THR 69 1HG THR 69 -2.663 -12.232 5.426 533 HG21 THR 69 1HG2 THR 69 -4.849 -12.771 4.664 534 HG22 THR 69 2HG2 THR 69 -5.281 -13.808 6.024 535 HG23 THR 69 3HG2 THR 69 -5.194 -14.479 4.397 536 H GLU 70 H GLU 70 -2.227 -16.715 7.499 537 HA GLU 70 HA GLU 70 0.417 -16.199 8.231 538 HB2 GLU 70 1HB GLU 70 -1.260 -18.542 7.827 539 HB3 GLU 70 2HB GLU 70 0.412 -18.842 7.371 540 HG2 GLU 70 1HG GLU 70 1.181 -18.211 9.552 541 HG3 GLU 70 2HG GLU 70 -0.439 -17.704 10.023 542 H PHE 71 H PHE 71 1.550 -15.013 6.733 543 HA PHE 71 HA PHE 71 1.715 -15.852 3.980 544 HB2 PHE 71 1HB PHE 71 1.797 -13.502 4.341 545 HB3 PHE 71 2HB PHE 71 3.057 -13.662 5.561 546 HD1 PHE 71 1HD PHE 71 2.322 -13.705 1.972 547 HD2 PHE 71 2HD PHE 71 5.361 -13.921 4.944 548 HE1 PHE 71 1HE PHE 71 4.034 -13.347 0.241 549 HE2 PHE 71 2HE PHE 71 7.078 -13.562 3.219 550 HZ PHE 71 HZ PHE 71 6.416 -13.275 0.865 551 H LEU 72 H LEU 72 2.839 -17.634 3.526 552 HA LEU 72 HA LEU 72 4.500 -19.189 3.466 553 HB2 LEU 72 1HB LEU 72 6.220 -16.806 4.137 554 HB3 LEU 72 2HB LEU 72 6.788 -18.336 3.473 555 HG LEU 72 HG LEU 72 4.922 -16.441 2.047 556 HD11 LEU 72 1HD1 LEU 72 7.376 -15.719 2.539 557 HD12 LEU 72 2HD1 LEU 72 6.710 -15.531 0.917 558 HD13 LEU 72 3HD1 LEU 72 7.773 -16.890 1.281 559 HD21 LEU 72 1HD2 LEU 72 6.526 -18.684 0.861 560 HD22 LEU 72 2HD2 LEU 72 5.151 -17.820 0.172 561 HD23 LEU 72 3HD2 LEU 72 4.907 -18.944 1.510 562 H GLY 73 H GLY 73 3.135 -19.058 5.905 563 HA2 GLY 73 1HA GLY 73 3.359 -20.185 7.920 564 HA3 GLY 73 2HA GLY 73 5.085 -20.319 7.618 565 H LYS 74 H LYS 74 4.093 -17.152 7.203 566 HA LYS 74 HA LYS 74 4.646 -16.466 10.010 567 HB2 LYS 74 1HB LYS 74 5.937 -15.335 7.535 568 HB3 LYS 74 2HB LYS 74 5.906 -14.446 9.052 569 HG2 LYS 74 1HG LYS 74 6.916 -17.239 9.083 570 HG3 LYS 74 2HG LYS 74 7.939 -15.980 8.386 571 HD2 LYS 74 1HD LYS 74 8.189 -14.885 10.392 572 HD3 LYS 74 2HD LYS 74 6.667 -15.500 11.040 573 HE2 LYS 74 1HE LYS 74 8.206 -17.771 10.622 574 HE3 LYS 74 2HE LYS 74 9.349 -16.584 11.247 575 HZ1 LYS 74 1HZ LYS 74 6.857 -16.625 12.674 576 HZ2 LYS 74 2HZ LYS 74 8.440 -16.677 13.265 577 HZ3 LYS 74 3HZ LYS 74 7.683 -18.100 12.749 578 H GLU 75 H GLU 75 3.028 -15.323 10.826 579 HA GLU 75 HA GLU 75 0.955 -14.232 9.224 580 HB2 GLU 75 1HB GLU 75 0.393 -15.010 11.409 581 HB3 GLU 75 2HB GLU 75 1.609 -13.985 12.158 582 HG2 GLU 75 1HG GLU 75 -0.078 -12.259 10.741 583 HG3 GLU 75 2HG GLU 75 -1.132 -13.415 11.553 584 H MET 76 H MET 76 0.866 -12.338 8.224 585 HA MET 76 HA MET 76 2.788 -10.252 9.000 586 HB2 MET 76 1HB MET 76 3.230 -10.622 6.775 587 HB3 MET 76 2HB MET 76 1.569 -11.067 6.407 588 HG2 MET 76 1HG MET 76 0.922 -8.697 6.616 589 HG3 MET 76 2HG MET 76 2.615 -8.287 6.885 590 HE1 MET 76 1HE MET 76 0.023 -9.821 4.823 591 HE2 MET 76 2HE MET 76 0.283 -9.124 3.225 592 HE3 MET 76 3HE MET 76 1.000 -10.684 3.635 593 H LYS 77 H LYS 77 2.104 -8.058 9.073 594 HA LYS 77 HA LYS 77 -0.750 -7.777 9.728 595 HB2 LYS 77 1HB LYS 77 1.739 -6.575 10.807 596 HB3 LYS 77 2HB LYS 77 0.330 -5.525 10.731 597 HG2 LYS 77 1HG LYS 77 -0.941 -7.064 12.089 598 HG3 LYS 77 2HG LYS 77 0.402 -8.210 12.092 599 HD2 LYS 77 1HD LYS 77 1.144 -5.529 12.988 600 HD3 LYS 77 2HD LYS 77 -0.072 -6.304 14.005 601 HE2 LYS 77 1HE LYS 77 1.405 -8.300 14.143 602 HE3 LYS 77 2HE LYS 77 2.634 -7.403 13.252 603 HZ1 LYS 77 1HZ LYS 77 2.129 -7.375 16.000 604 HZ2 LYS 77 2HZ LYS 77 1.772 -5.833 15.406 605 HZ3 LYS 77 3HZ LYS 77 3.303 -6.505 15.145 606 H LEU 78 H LEU 78 -1.685 -5.587 9.282 607 HA LEU 78 HA LEU 78 -0.490 -4.085 7.118 608 HB2 LEU 78 1HB LEU 78 -2.701 -5.996 6.721 609 HB3 LEU 78 2HB LEU 78 -2.920 -4.408 5.990 610 HG LEU 78 HG LEU 78 -0.382 -5.889 5.480 611 HD11 LEU 78 1HD1 LEU 78 -1.948 -6.600 3.359 612 HD12 LEU 78 2HD1 LEU 78 -3.051 -6.800 4.720 613 HD13 LEU 78 3HD1 LEU 78 -1.509 -7.656 4.703 614 HD21 LEU 78 1HD2 LEU 78 -0.475 -3.689 4.610 615 HD22 LEU 78 2HD2 LEU 78 -2.103 -3.930 3.977 616 HD23 LEU 78 3HD2 LEU 78 -0.738 -4.775 3.246 617 H TYR 79 H TYR 79 -0.961 -2.000 7.361 618 HA TYR 79 HA TYR 79 -3.402 -1.276 8.841 619 HB2 TYR 79 1HB TYR 79 -0.673 0.010 9.071 620 HB3 TYR 79 2HB TYR 79 -2.139 0.608 9.840 621 HD1 TYR 79 2HD TYR 79 0.429 -2.005 9.880 622 HD2 TYR 79 1HD TYR 79 -3.084 -0.522 11.766 623 HE1 TYR 79 2HE TYR 79 0.868 -3.451 11.821 624 HE2 TYR 79 1HE TYR 79 -2.655 -1.963 13.713 625 HH TYR 79 HH TYR 79 0.324 -3.680 14.106 626 H PHE 80 H PHE 80 -4.374 0.716 8.283 627 HA PHE 80 HA PHE 80 -4.135 1.366 5.500 628 HB2 PHE 80 1HB PHE 80 -5.939 2.141 7.737 629 HB3 PHE 80 2HB PHE 80 -5.835 3.237 6.364 630 HD1 PHE 80 2HD PHE 80 -6.330 2.325 4.060 631 HD2 PHE 80 1HD PHE 80 -7.232 0.200 7.636 632 HE1 PHE 80 2HE PHE 80 -7.925 0.920 2.820 633 HE2 PHE 80 1HE PHE 80 -8.827 -1.209 6.401 634 HZ PHE 80 HZ PHE 80 -9.177 -0.849 3.990 635 H ALA 81 H ALA 81 -2.677 2.710 4.697 636 HA ALA 81 HA ALA 81 -1.115 4.453 6.313 637 HB1 ALA 81 1HB ALA 81 0.167 4.792 4.460 638 HB2 ALA 81 2HB ALA 81 -0.630 3.292 3.985 639 HB3 ALA 81 3HB ALA 81 -1.220 4.836 3.371 640 H GLN 82 H GLN 82 -3.093 5.539 7.244 641 HA GLN 82 HA GLN 82 -3.341 8.137 6.097 642 HB2 GLN 82 1HB GLN 82 -5.005 6.593 4.824 643 HB3 GLN 82 2HB GLN 82 -5.958 6.683 6.298 644 HG2 GLN 82 1HG GLN 82 -5.612 9.261 5.994 645 HG3 GLN 82 2HG GLN 82 -5.323 8.806 4.315 646 HE21 GLN 82 2HE2 GLN 82 -7.635 9.559 6.610 647 HE22 GLN 82 1HE2 GLN 82 -9.040 9.049 5.744 648 H THR 83 H THR 83 -2.381 7.401 8.515 649 HA THR 83 HA THR 83 -4.403 8.499 10.337 650 HB THR 83 HB THR 83 -3.774 6.961 12.115 651 HG1 THR 83 1HG THR 83 -1.592 6.597 11.186 652 HG21 THR 83 1HG2 THR 83 -5.631 6.189 10.882 653 HG22 THR 83 2HG2 THR 83 -4.563 4.793 11.026 654 HG23 THR 83 3HG2 THR 83 -4.626 5.703 9.518 655 H LEU 84 H LEU 84 -3.528 9.552 12.212 656 HA LEU 84 HA LEU 84 -0.703 10.332 11.902 657 HB2 LEU 84 1HB LEU 84 -3.115 11.981 12.581 658 HB3 LEU 84 2HB LEU 84 -1.491 12.505 13.016 659 HG LEU 84 HG LEU 84 -2.400 13.526 10.927 660 HD11 LEU 84 1HD1 LEU 84 0.147 11.994 11.061 661 HD12 LEU 84 2HD1 LEU 84 -0.123 13.735 11.016 662 HD13 LEU 84 3HD1 LEU 84 -0.296 12.779 9.545 663 HD21 LEU 84 1HD2 LEU 84 -3.505 11.319 10.235 664 HD22 LEU 84 2HD2 LEU 84 -1.912 10.866 9.628 665 HD23 LEU 84 3HD2 LEU 84 -2.733 12.285 8.977 666 H HIS 85 H HIS 85 -1.548 8.161 13.481 667 HA HIS 85 HA HIS 85 -0.298 8.784 15.935 668 HB2 HIS 85 1HB HIS 85 -3.005 9.455 15.901 669 HB3 HIS 85 2HB HIS 85 -2.947 7.905 16.733 670 HD1 HIS 85 1HD HIS 85 -2.502 8.047 19.160 671 HD2 HIS 85 2HD HIS 85 -1.073 11.378 17.129 672 HE1 HIS 85 1HE HIS 85 -1.621 9.592 20.939 673 H ILE 86 H ILE 86 -0.341 6.901 17.457 674 HA ILE 86 HA ILE 86 -0.120 4.458 15.916 675 HB ILE 86 HB ILE 86 1.628 5.047 17.545 676 HG12 ILE 86 1HG1 ILE 86 1.617 2.824 18.783 677 HG13 ILE 86 2HG1 ILE 86 0.039 2.532 18.060 678 HG21 ILE 86 1HG2 ILE 86 -0.090 4.309 19.841 679 HG22 ILE 86 2HG2 ILE 86 1.278 5.418 19.757 680 HG23 ILE 86 3HG2 ILE 86 -0.303 5.920 19.159 681 HD11 ILE 86 1HD1 ILE 86 2.713 2.382 16.882 682 HD12 ILE 86 2HD1 ILE 86 1.227 1.535 16.452 683 HD13 ILE 86 3HD1 ILE 86 1.504 3.178 15.876 684 H GLY 87 H GLY 87 -2.191 5.828 18.389 685 HA2 GLY 87 1HA GLY 87 -4.292 4.004 17.816 686 HA3 GLY 87 2HA GLY 87 -3.493 3.561 19.318 687 H SER 88 H SER 88 -5.685 3.983 20.183 688 HA SER 88 HA SER 88 -5.780 6.377 21.609 689 HB2 SER 88 1HB SER 88 -7.755 7.461 20.533 690 HB3 SER 88 2HB SER 88 -6.312 7.484 19.519 691 HG SER 88 HG SER 88 -8.084 5.340 19.250 692 H SER 89 H SER 89 -8.010 6.703 22.650 693 HA SER 89 HA SER 89 -9.587 4.253 22.783 694 HB2 SER 89 1HB SER 89 -7.579 4.625 24.620 695 HB3 SER 89 2HB SER 89 -8.972 5.315 25.453 696 HG SER 89 HG SER 89 -8.684 2.695 24.414 697 H HIS 90 H HIS 90 -11.672 4.539 23.644 698 HA HIS 90 HA HIS 90 -12.511 7.356 23.812 699 HB2 HIS 90 1HB HIS 90 -13.400 5.721 21.974 700 HB3 HIS 90 2HB HIS 90 -14.418 5.105 23.274 701 HD1 HIS 90 1HD HIS 90 -16.666 6.092 23.078 702 HD2 HIS 90 2HD HIS 90 -13.700 8.832 22.100 703 HE1 HIS 90 1HE HIS 90 -17.874 8.235 22.559 704 H LEU 91 H LEU 91 -14.504 7.706 25.170 705 HA LEU 91 HA LEU 91 -15.317 5.955 27.182 706 HB2 LEU 91 1HB LEU 91 -12.769 6.705 27.692 707 HB3 LEU 91 2HB LEU 91 -13.653 7.973 28.539 708 HG LEU 91 HG LEU 91 -14.565 5.234 29.103 709 HD11 LEU 91 1HD1 LEU 91 -11.753 5.890 29.230 710 HD12 LEU 91 2HD1 LEU 91 -12.566 4.348 29.496 711 HD13 LEU 91 3HD1 LEU 91 -12.405 5.499 30.822 712 HD21 LEU 91 1HD2 LEU 91 -14.110 6.363 31.470 713 HD22 LEU 91 2HD2 LEU 91 -15.555 6.708 30.518 714 HD23 LEU 91 3HD2 LEU 91 -14.191 7.827 30.487 715 H ALA 92 H ALA 92 -16.695 6.981 28.785 716 HA ALA 92 HA ALA 92 -17.216 9.757 28.806 717 HB1 ALA 92 1HB ALA 92 -18.808 10.092 27.270 718 HB2 ALA 92 2HB ALA 92 -18.201 8.610 26.532 719 HB3 ALA 92 3HB ALA 92 -19.595 8.550 27.611 720 HA PRO 93 HA PRO 93 -19.183 8.444 32.520 721 HB2 PRO 93 1HB PRO 93 -20.549 10.717 33.104 722 HB3 PRO 93 2HB PRO 93 -18.799 10.572 33.296 723 HG2 PRO 93 1HG PRO 93 -20.364 11.810 31.065 724 HG3 PRO 93 2HG PRO 93 -18.900 12.407 31.870 725 HD2 PRO 93 1HD PRO 93 -18.836 11.158 29.468 726 HD3 PRO 93 2HD PRO 93 -17.515 11.029 30.646 727 HA PRO 94 HA PRO 94 -23.244 7.047 31.548 728 HB2 PRO 94 1HB PRO 94 -24.299 6.821 34.038 729 HB3 PRO 94 2HB PRO 94 -23.086 5.703 33.404 730 HG2 PRO 94 1HG PRO 94 -22.730 8.047 35.232 731 HG3 PRO 94 2HG PRO 94 -21.998 6.435 35.325 732 HD2 PRO 94 1HD PRO 94 -20.672 8.582 34.345 733 HD3 PRO 94 2HD PRO 94 -20.394 6.935 33.747 734 H ASN 95 H ASN 95 -25.617 7.504 32.181 735 HA ASN 95 HA ASN 95 -26.176 10.210 31.588 736 HB2 ASN 95 1HB ASN 95 -27.662 7.746 31.894 737 HB3 ASN 95 2HB ASN 95 -28.521 9.089 32.643 738 HD21 ASN 95 2HD2 ASN 95 -26.597 8.545 29.707 739 HD22 ASN 95 1HD2 ASN 95 -27.718 9.299 28.631 740 HA PRO 96 HA PRO 96 -26.148 12.080 35.573 741 HB2 PRO 96 1HB PRO 96 -27.798 14.178 35.076 742 HB3 PRO 96 2HB PRO 96 -26.143 14.092 34.463 743 HG2 PRO 96 1HG PRO 96 -28.716 13.476 33.063 744 HG3 PRO 96 2HG PRO 96 -27.302 14.362 32.465 745 HD2 PRO 96 1HD PRO 96 -27.777 11.775 31.825 746 HD3 PRO 96 2HD PRO 96 -26.136 12.432 31.988 747 H ASP 97 H ASP 97 -29.343 11.792 34.022 748 HA ASP 97 HA ASP 97 -31.398 11.260 34.841 749 HB2 ASP 97 1HB ASP 97 -29.535 9.722 36.592 750 HB3 ASP 97 2HB ASP 97 -31.234 9.799 37.050 751 H LYS 98 H LYS 98 -32.608 12.867 35.582 752 HA LYS 98 HA LYS 98 -32.485 13.622 38.361 753 HB2 LYS 98 1HB LYS 98 -32.013 15.933 38.080 754 HB3 LYS 98 2HB LYS 98 -30.761 15.063 37.203 755 HG2 LYS 98 1HG LYS 98 -31.418 15.861 35.204 756 HG3 LYS 98 2HG LYS 98 -33.132 15.812 35.627 757 HD2 LYS 98 1HD LYS 98 -32.454 17.778 37.239 758 HD3 LYS 98 2HD LYS 98 -31.111 17.953 36.105 759 HE2 LYS 98 1HE LYS 98 -32.634 19.327 35.105 760 HE3 LYS 98 2HE LYS 98 -33.061 17.804 34.328 761 HZ1 LYS 98 1HZ LYS 98 -34.650 19.455 35.978 762 HZ2 LYS 98 2HZ LYS 98 -34.511 17.926 36.686 763 HZ3 LYS 98 3HZ LYS 98 -35.102 18.077 35.108 764 H SER 99 H SER 99 -34.236 15.184 38.917 765 HA SER 99 HA SER 99 -36.509 14.904 37.062 766 HB2 SER 99 1HB SER 99 -36.620 14.938 40.087 767 HB3 SER 99 2HB SER 99 -37.989 14.733 38.995 768 HG SER 99 HG SER 99 -36.938 12.804 38.244 769 H GLY 100 H GLY 100 -38.343 16.521 37.870 770 HA2 GLY 100 1HA GLY 100 -37.053 19.143 38.309 771 HA3 GLY 100 2HA GLY 100 -38.305 18.916 37.097 772 HA PRO 101 HA PRO 101 -40.013 20.030 41.413 773 HB2 PRO 101 1HB PRO 101 -40.514 22.666 40.997 774 HB3 PRO 101 2HB PRO 101 -38.991 22.072 41.668 775 HG2 PRO 101 1HG PRO 101 -39.632 22.891 38.861 776 HG3 PRO 101 2HG PRO 101 -38.192 23.251 39.830 777 HD2 PRO 101 1HD PRO 101 -38.232 21.305 37.949 778 HD3 PRO 101 2HD PRO 101 -37.246 21.190 39.420 779 H SER 102 H SER 102 -42.176 21.433 41.660 780 HA SER 102 HA SER 102 -43.912 20.755 39.377 781 HB2 SER 102 1HB SER 102 -44.048 19.861 42.126 782 HB3 SER 102 2HB SER 102 -45.518 20.727 41.677 783 HG SER 102 HG SER 102 -44.410 18.718 40.028 784 H SER 103 H SER 103 -43.971 22.634 42.411 785 HA SER 103 HA SER 103 -45.915 24.415 42.019 786 HB2 SER 103 1HB SER 103 -43.124 25.200 42.896 787 HB3 SER 103 2HB SER 103 -44.605 26.096 43.233 788 HG SER 103 HG SER 103 -45.337 24.193 44.360 789 H GLY 104 H GLY 104 -46.537 25.831 40.525 790 HA2 GLY 104 1HA GLY 104 -46.496 27.238 38.712 791 HA3 GLY 104 2HA GLY 104 -44.825 27.578 39.134 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -9.089 20.193 -4.526 2 HA2 GLY 1 1HA GLY 1 -9.778 18.565 -6.039 3 HA3 GLY 1 2HA GLY 1 -9.027 19.697 -7.153 4 H SER 2 H SER 2 -9.267 16.736 -7.211 5 HA SER 2 HA SER 2 -8.022 14.948 -7.866 6 HB2 SER 2 1HB SER 2 -6.864 17.128 -9.085 7 HB3 SER 2 2HB SER 2 -5.494 16.381 -8.264 8 HG SER 2 HG SER 2 -6.572 14.361 -9.289 9 H SER 3 H SER 3 -8.191 15.349 -5.149 10 HA SER 3 HA SER 3 -5.502 14.618 -4.191 11 HB2 SER 3 1HB SER 3 -6.216 15.404 -1.969 12 HB3 SER 3 2HB SER 3 -6.347 16.688 -3.171 13 HG SER 3 HG SER 3 -8.322 15.381 -1.746 14 H GLY 4 H GLY 4 -5.282 12.863 -2.783 15 HA2 GLY 4 1HA GLY 4 -7.113 11.341 -1.503 16 HA3 GLY 4 2HA GLY 4 -7.268 10.795 -3.166 17 H SER 5 H SER 5 -6.483 9.125 -1.055 18 HA SER 5 HA SER 5 -3.904 8.255 -2.071 19 HB2 SER 5 1HB SER 5 -4.302 9.396 0.627 20 HB3 SER 5 2HB SER 5 -3.402 7.881 0.572 21 HG SER 5 HG SER 5 -2.171 9.019 -1.182 22 H SER 6 H SER 6 -3.365 6.066 -1.421 23 HA SER 6 HA SER 6 -5.451 4.504 -0.139 24 HB2 SER 6 1HB SER 6 -6.173 4.562 -2.491 25 HB3 SER 6 2HB SER 6 -4.597 3.949 -2.992 26 HG SER 6 HG SER 6 -5.745 2.139 -2.839 27 H GLY 7 H GLY 7 -2.702 5.179 0.471 28 HA2 GLY 7 1HA GLY 7 -1.019 2.946 -0.126 29 HA3 GLY 7 2HA GLY 7 -0.703 4.198 1.067 30 H LEU 8 H LEU 8 -0.112 1.473 1.449 31 HA LEU 8 HA LEU 8 -1.792 0.948 3.786 32 HB2 LEU 8 1HB LEU 8 -1.408 -0.824 1.439 33 HB3 LEU 8 2HB LEU 8 -1.422 -1.575 3.032 34 HG LEU 8 HG LEU 8 -3.652 0.198 2.069 35 HD11 LEU 8 1HD1 LEU 8 -4.070 -2.708 2.042 36 HD12 LEU 8 2HD1 LEU 8 -2.997 -2.094 0.784 37 HD13 LEU 8 3HD1 LEU 8 -4.638 -1.465 0.928 38 HD21 LEU 8 1HD2 LEU 8 -3.029 -1.192 4.505 39 HD22 LEU 8 2HD2 LEU 8 -4.528 -1.812 3.813 40 HD23 LEU 8 3HD2 LEU 8 -4.360 -0.089 4.153 41 H ILE 9 H ILE 9 -0.703 0.154 5.522 42 HA ILE 9 HA ILE 9 2.201 -0.127 5.211 43 HB ILE 9 HB ILE 9 0.580 0.341 7.716 44 HG12 ILE 9 1HG1 ILE 9 0.571 2.287 6.239 45 HG13 ILE 9 2HG1 ILE 9 1.570 2.600 7.654 46 HG21 ILE 9 1HG2 ILE 9 2.552 -0.850 8.304 47 HG22 ILE 9 2HG2 ILE 9 3.546 0.153 7.248 48 HG23 ILE 9 3HG2 ILE 9 2.833 0.845 8.704 49 HD11 ILE 9 1HD1 ILE 9 3.388 1.615 5.873 50 HD12 ILE 9 2HD1 ILE 9 2.285 2.519 4.833 51 HD13 ILE 9 3HD1 ILE 9 3.079 3.323 6.188 52 H ALA 10 H ALA 10 2.560 -2.231 4.705 53 HA ALA 10 HA ALA 10 1.265 -4.320 6.293 54 HB1 ALA 10 1HB ALA 10 1.120 -4.903 4.060 55 HB2 ALA 10 2HB ALA 10 2.738 -4.303 3.691 56 HB3 ALA 10 3HB ALA 10 2.539 -5.805 4.592 57 H CYS 11 H CYS 11 2.308 -5.523 7.771 58 HA CYS 11 HA CYS 11 5.185 -5.015 8.141 59 HB2 CYS 11 1HB CYS 11 3.224 -4.512 9.937 60 HB3 CYS 11 2HB CYS 11 3.631 -6.165 10.381 61 HG CYS 11 HG CYS 11 6.449 -4.598 10.042 62 H VAL 12 H VAL 12 6.404 -6.647 7.480 63 HA VAL 12 HA VAL 12 5.340 -9.383 7.650 64 HB VAL 12 HB VAL 12 7.855 -8.994 6.185 65 HG11 VAL 12 1HG1 VAL 12 6.583 -11.094 6.212 66 HG12 VAL 12 2HG1 VAL 12 5.226 -10.272 5.438 67 HG13 VAL 12 3HG1 VAL 12 6.757 -10.449 4.579 68 HG21 VAL 12 1HG2 VAL 12 6.615 -8.063 4.187 69 HG22 VAL 12 2HG2 VAL 12 5.324 -7.623 5.305 70 HG23 VAL 12 3HG2 VAL 12 6.932 -6.925 5.497 71 H ALA 13 H ALA 13 6.508 -11.024 8.617 72 HA ALA 13 HA ALA 13 8.536 -10.130 10.523 73 HB1 ALA 13 1HB ALA 13 7.677 -11.630 11.925 74 HB2 ALA 13 2HB ALA 13 6.383 -11.861 10.749 75 HB3 ALA 13 3HB ALA 13 7.793 -12.920 10.727 76 H ASN 14 H ASN 14 8.150 -12.127 7.699 77 HA ASN 14 HA ASN 14 10.584 -13.584 7.979 78 HB2 ASN 14 1HB ASN 14 8.508 -13.242 5.893 79 HB3 ASN 14 2HB ASN 14 10.107 -13.714 5.325 80 HD21 ASN 14 2HD2 ASN 14 7.590 -15.199 5.348 81 HD22 ASN 14 1HD2 ASN 14 7.906 -16.651 6.229 82 H ASP 15 H ASP 15 12.382 -12.360 8.212 83 HA ASP 15 HA ASP 15 12.918 -9.912 6.992 84 HB2 ASP 15 1HB ASP 15 15.088 -11.887 7.656 85 HB3 ASP 15 2HB ASP 15 15.119 -10.131 7.789 86 H ASP 16 H ASP 16 12.898 -13.053 5.666 87 HA ASP 16 HA ASP 16 14.799 -12.671 3.585 88 HB2 ASP 16 1HB ASP 16 12.454 -14.556 3.443 89 HB3 ASP 16 2HB ASP 16 14.047 -14.735 2.713 90 H VAL 17 H VAL 17 11.540 -11.678 4.047 91 HA VAL 17 HA VAL 17 10.773 -11.408 1.328 92 HB VAL 17 HB VAL 17 9.757 -10.095 3.845 93 HG11 VAL 17 1HG1 VAL 17 7.754 -9.677 2.122 94 HG12 VAL 17 2HG1 VAL 17 9.026 -8.490 2.421 95 HG13 VAL 17 3HG1 VAL 17 9.116 -9.544 1.010 96 HG21 VAL 17 1HG2 VAL 17 8.888 -12.396 2.136 97 HG22 VAL 17 2HG2 VAL 17 9.125 -12.333 3.882 98 HG23 VAL 17 3HG2 VAL 17 7.729 -11.540 3.153 99 H PHE 18 H PHE 18 12.852 -9.599 3.353 100 HA PHE 18 HA PHE 18 12.601 -7.142 1.830 101 HB2 PHE 18 1HB PHE 18 14.452 -7.927 4.090 102 HB3 PHE 18 2HB PHE 18 14.414 -6.332 3.343 103 HD1 PHE 18 1HD PHE 18 12.467 -8.745 5.342 104 HD2 PHE 18 2HD PHE 18 12.775 -4.740 3.933 105 HE1 PHE 18 1HE PHE 18 10.687 -8.064 6.898 106 HE2 PHE 18 2HE PHE 18 10.997 -4.053 5.488 107 HZ PHE 18 HZ PHE 18 9.951 -5.715 6.973 108 H SER 19 H SER 19 13.610 -9.768 0.692 109 HA SER 19 HA SER 19 16.102 -8.689 -0.446 110 HB2 SER 19 1HB SER 19 16.144 -10.812 1.182 111 HB3 SER 19 2HB SER 19 15.751 -11.643 -0.323 112 HG SER 19 HG SER 19 18.105 -11.063 0.406 113 H GLU 20 H GLU 20 15.986 -8.378 -2.561 114 HA GLU 20 HA GLU 20 13.731 -9.089 -4.096 115 HB2 GLU 20 1HB GLU 20 14.946 -8.194 -5.995 116 HB3 GLU 20 2HB GLU 20 15.174 -7.152 -4.598 117 HG2 GLU 20 1HG GLU 20 17.325 -8.664 -4.288 118 HG3 GLU 20 2HG GLU 20 17.120 -8.867 -6.028 119 H SER 21 H SER 21 16.284 -10.966 -3.061 120 HA SER 21 HA SER 21 17.190 -12.565 -5.006 121 HB2 SER 21 1HB SER 21 16.624 -12.915 -2.208 122 HB3 SER 21 2HB SER 21 16.260 -14.407 -3.073 123 HG SER 21 HG SER 21 18.382 -14.567 -2.670 124 H GLU 22 H GLU 22 14.052 -13.192 -3.423 125 HA GLU 22 HA GLU 22 12.675 -13.708 -5.823 126 HB2 GLU 22 1HB GLU 22 14.190 -15.714 -5.760 127 HB3 GLU 22 2HB GLU 22 13.379 -16.206 -4.280 128 HG2 GLU 22 1HG GLU 22 12.027 -17.359 -5.616 129 HG3 GLU 22 2HG GLU 22 11.277 -15.805 -5.971 130 H THR 23 H THR 23 12.892 -14.730 -2.426 131 HA THR 23 HA THR 23 10.327 -15.314 -1.801 132 HB THR 23 HB THR 23 11.912 -13.466 -0.026 133 HG1 THR 23 1HG THR 23 13.435 -14.945 -0.282 134 HG21 THR 23 1HG2 THR 23 9.492 -14.475 0.411 135 HG22 THR 23 2HG2 THR 23 10.677 -14.304 1.706 136 HG23 THR 23 3HG2 THR 23 10.443 -15.868 0.926 137 H ARG 24 H ARG 24 11.672 -12.026 -1.978 138 HA ARG 24 HA ARG 24 9.538 -10.523 -1.180 139 HB2 ARG 24 1HB ARG 24 11.768 -9.654 -1.906 140 HB3 ARG 24 2HB ARG 24 11.264 -9.880 -3.575 141 HG2 ARG 24 1HG ARG 24 9.220 -8.390 -2.717 142 HG3 ARG 24 2HG ARG 24 10.475 -7.818 -1.615 143 HD2 ARG 24 1HD ARG 24 11.916 -7.304 -3.520 144 HD3 ARG 24 2HD ARG 24 10.673 -7.891 -4.624 145 HE ARG 24 HE ARG 24 9.697 -5.827 -2.915 146 HH11 ARG 24 2HH1 ARG 24 11.556 -6.436 -5.795 147 HH12 ARG 24 1HH1 ARG 24 11.218 -4.889 -6.498 148 HH21 ARG 24 2HH2 ARG 24 9.245 -3.787 -3.830 149 HH22 ARG 24 1HH2 ARG 24 9.904 -3.383 -5.379 150 H ALA 25 H ALA 25 10.116 -11.673 -4.503 151 HA ALA 25 HA ALA 25 7.976 -10.657 -5.828 152 HB1 ALA 25 1HB ALA 25 9.109 -13.439 -6.067 153 HB2 ALA 25 2HB ALA 25 8.012 -12.704 -7.235 154 HB3 ALA 25 3HB ALA 25 9.607 -12.003 -6.963 155 H LYS 26 H LYS 26 7.956 -13.422 -3.632 156 HA LYS 26 HA LYS 26 5.326 -14.279 -4.103 157 HB2 LYS 26 1HB LYS 26 6.981 -14.461 -1.579 158 HB3 LYS 26 2HB LYS 26 5.496 -15.353 -1.874 159 HG2 LYS 26 1HG LYS 26 6.478 -16.714 -3.474 160 HG3 LYS 26 2HG LYS 26 7.808 -15.588 -3.756 161 HD2 LYS 26 1HD LYS 26 8.401 -16.078 -1.273 162 HD3 LYS 26 2HD LYS 26 7.397 -17.513 -1.500 163 HE2 LYS 26 1HE LYS 26 9.340 -17.037 -3.643 164 HE3 LYS 26 2HE LYS 26 10.062 -17.351 -2.065 165 HZ1 LYS 26 1HZ LYS 26 9.800 -19.476 -2.700 166 HZ2 LYS 26 2HZ LYS 26 8.566 -19.128 -3.804 167 HZ3 LYS 26 3HZ LYS 26 8.213 -19.261 -2.155 168 H PHE 27 H PHE 27 6.638 -11.864 -1.886 169 HA PHE 27 HA PHE 27 4.142 -11.334 -0.602 170 HB2 PHE 27 1HB PHE 27 6.106 -10.830 0.641 171 HB3 PHE 27 2HB PHE 27 6.776 -9.867 -0.671 172 HD1 PHE 27 1HD PHE 27 5.472 -7.740 -1.328 173 HD2 PHE 27 2HD PHE 27 4.950 -9.803 2.359 174 HE1 PHE 27 1HE PHE 27 4.504 -5.710 -0.333 175 HE2 PHE 27 2HE PHE 27 3.981 -7.774 3.359 176 HZ PHE 27 HZ PHE 27 3.756 -5.724 2.013 177 H GLU 28 H GLU 28 6.016 -9.729 -3.149 178 HA GLU 28 HA GLU 28 4.284 -7.538 -3.505 179 HB2 GLU 28 1HB GLU 28 6.564 -8.720 -4.915 180 HB3 GLU 28 2HB GLU 28 5.412 -7.931 -5.985 181 HG2 GLU 28 1HG GLU 28 5.573 -5.939 -4.397 182 HG3 GLU 28 2HG GLU 28 7.002 -6.739 -3.744 183 H SER 29 H SER 29 4.644 -10.449 -5.540 184 HA SER 29 HA SER 29 2.728 -10.187 -7.373 185 HB2 SER 29 1HB SER 29 3.915 -12.246 -7.305 186 HB3 SER 29 2HB SER 29 3.318 -12.621 -5.689 187 HG SER 29 HG SER 29 1.415 -13.207 -6.503 188 H LEU 30 H LEU 30 2.100 -10.988 -3.985 189 HA LEU 30 HA LEU 30 -0.595 -11.512 -4.050 190 HB2 LEU 30 1HB LEU 30 0.935 -9.946 -1.978 191 HB3 LEU 30 2HB LEU 30 -0.680 -10.614 -1.746 192 HG LEU 30 HG LEU 30 1.627 -12.398 -2.436 193 HD11 LEU 30 1HD1 LEU 30 0.841 -11.863 0.399 194 HD12 LEU 30 2HD1 LEU 30 2.057 -10.864 -0.397 195 HD13 LEU 30 3HD1 LEU 30 2.312 -12.601 -0.236 196 HD21 LEU 30 1HD2 LEU 30 -0.465 -13.244 -0.571 197 HD22 LEU 30 2HD2 LEU 30 0.211 -14.071 -1.975 198 HD23 LEU 30 3HD2 LEU 30 -1.048 -12.853 -2.188 199 H PHE 31 H PHE 31 0.814 -8.299 -3.384 200 HA PHE 31 HA PHE 31 -1.685 -6.967 -3.734 201 HB2 PHE 31 1HB PHE 31 1.027 -5.655 -3.826 202 HB3 PHE 31 2HB PHE 31 -0.503 -4.954 -3.310 203 HD1 PHE 31 2HD PHE 31 2.139 -7.362 -2.396 204 HD2 PHE 31 1HD PHE 31 -1.250 -5.148 -1.082 205 HE1 PHE 31 2HE PHE 31 2.657 -7.958 -0.065 206 HE2 PHE 31 1HE PHE 31 -0.737 -5.739 1.250 207 HZ PHE 31 HZ PHE 31 1.218 -7.146 1.761 208 H ARG 32 H ARG 32 1.325 -6.968 -5.645 209 HA ARG 32 HA ARG 32 0.640 -5.399 -7.748 210 HB2 ARG 32 1HB ARG 32 2.678 -7.157 -7.241 211 HB3 ARG 32 2HB ARG 32 1.887 -7.912 -8.618 212 HG2 ARG 32 1HG ARG 32 2.451 -5.009 -8.788 213 HG3 ARG 32 2HG ARG 32 3.818 -6.121 -8.894 214 HD2 ARG 32 1HD ARG 32 2.517 -7.356 -10.668 215 HD3 ARG 32 2HD ARG 32 1.384 -6.005 -10.661 216 HE ARG 32 HE ARG 32 3.904 -4.920 -11.016 217 HH11 ARG 32 2HH1 ARG 32 1.801 -7.128 -12.695 218 HH12 ARG 32 1HH1 ARG 32 2.408 -6.719 -14.264 219 HH21 ARG 32 2HH2 ARG 32 4.713 -4.373 -13.077 220 HH22 ARG 32 1HH2 ARG 32 4.066 -5.152 -14.480 221 H THR 33 H THR 33 -0.097 -8.874 -7.492 222 HA THR 33 HA THR 33 -1.317 -9.441 -9.816 223 HB THR 33 HB THR 33 -2.235 -10.185 -7.042 224 HG1 THR 33 1HG THR 33 -0.705 -11.613 -7.293 225 HG21 THR 33 1HG2 THR 33 -3.248 -12.107 -8.732 226 HG22 THR 33 2HG2 THR 33 -3.574 -10.607 -9.600 227 HG23 THR 33 3HG2 THR 33 -4.179 -10.825 -7.959 228 H TYR 34 H TYR 34 -2.778 -7.584 -7.179 229 HA TYR 34 HA TYR 34 -5.312 -7.283 -8.436 230 HB2 TYR 34 1HB TYR 34 -4.143 -5.428 -6.364 231 HB3 TYR 34 2HB TYR 34 -5.840 -5.778 -6.670 232 HD1 TYR 34 1HD TYR 34 -6.148 -8.577 -6.637 233 HD2 TYR 34 2HD TYR 34 -3.468 -6.226 -4.314 234 HE1 TYR 34 1HE TYR 34 -6.098 -10.339 -4.923 235 HE2 TYR 34 2HE TYR 34 -3.409 -7.983 -2.593 236 HH TYR 34 HH TYR 34 -4.480 -9.865 -1.847 237 H ASP 35 H ASP 35 -2.982 -4.699 -7.678 238 HA ASP 35 HA ASP 35 -3.804 -3.354 -10.161 239 HB2 ASP 35 1HB ASP 35 -4.129 -2.208 -7.900 240 HB3 ASP 35 2HB ASP 35 -2.375 -2.061 -7.843 241 H LYS 36 H LYS 36 -2.260 -2.480 -11.553 242 HA LYS 36 HA LYS 36 0.351 -3.781 -11.396 243 HB2 LYS 36 1HB LYS 36 0.575 -2.974 -13.768 244 HB3 LYS 36 2HB LYS 36 -0.749 -4.098 -13.490 245 HG2 LYS 36 1HG LYS 36 -2.317 -2.586 -14.021 246 HG3 LYS 36 2HG LYS 36 -1.458 -1.262 -13.229 247 HD2 LYS 36 1HD LYS 36 -0.739 -0.542 -15.204 248 HD3 LYS 36 2HD LYS 36 0.065 -2.088 -15.484 249 HE2 LYS 36 1HE LYS 36 -2.067 -2.995 -16.348 250 HE3 LYS 36 2HE LYS 36 -2.799 -1.403 -16.144 251 HZ1 LYS 36 1HZ LYS 36 -0.757 -0.698 -17.606 252 HZ2 LYS 36 2HZ LYS 36 -2.174 -1.290 -18.314 253 HZ3 LYS 36 3HZ LYS 36 -0.838 -2.308 -18.120 254 H ASP 37 H ASP 37 -1.128 -0.679 -11.095 255 HA ASP 37 HA ASP 37 1.420 0.724 -11.343 256 HB2 ASP 37 1HB ASP 37 -1.092 1.462 -12.071 257 HB3 ASP 37 2HB ASP 37 -0.972 2.228 -10.490 258 H THR 38 H THR 38 0.809 -1.168 -9.136 259 HA THR 38 HA THR 38 0.615 0.544 -6.794 260 HB THR 38 HB THR 38 1.136 -1.869 -5.727 261 HG1 THR 38 1HG THR 38 -0.249 -2.495 -8.134 262 HG21 THR 38 1HG2 THR 38 -1.397 -0.609 -6.686 263 HG22 THR 38 2HG2 THR 38 -0.826 -0.875 -5.037 264 HG23 THR 38 3HG2 THR 38 -1.453 -2.226 -5.983 265 H THR 39 H THR 39 2.306 1.329 -5.724 266 HA THR 39 HA THR 39 4.981 0.330 -6.408 267 HB THR 39 HB THR 39 5.875 2.416 -5.784 268 HG1 THR 39 1HG THR 39 4.976 3.037 -3.924 269 HG21 THR 39 1HG2 THR 39 4.949 3.793 -7.354 270 HG22 THR 39 2HG2 THR 39 3.299 3.471 -6.822 271 HG23 THR 39 3HG2 THR 39 4.154 2.286 -7.807 272 H PHE 40 H PHE 40 6.293 -0.573 -4.925 273 HA PHE 40 HA PHE 40 5.251 -0.814 -2.183 274 HB2 PHE 40 1HB PHE 40 7.225 -2.621 -3.591 275 HB3 PHE 40 2HB PHE 40 6.501 -2.889 -2.009 276 HD1 PHE 40 1HD PHE 40 5.422 -2.242 -5.523 277 HD2 PHE 40 2HD PHE 40 4.748 -4.358 -1.893 278 HE1 PHE 40 1HE PHE 40 3.570 -3.467 -6.585 279 HE2 PHE 40 2HE PHE 40 2.896 -5.586 -2.947 280 HZ PHE 40 HZ PHE 40 2.306 -5.142 -5.297 281 H GLN 41 H GLN 41 6.389 -0.019 -0.528 282 HA GLN 41 HA GLN 41 9.153 0.858 -1.049 283 HB2 GLN 41 1HB GLN 41 6.875 2.371 -0.184 284 HB3 GLN 41 2HB GLN 41 8.085 2.367 1.091 285 HG2 GLN 41 1HG GLN 41 9.487 3.679 -0.056 286 HG3 GLN 41 2HG GLN 41 9.148 2.875 -1.589 287 HE21 GLN 41 2HE2 GLN 41 7.763 5.131 0.753 288 HE22 GLN 41 1HE2 GLN 41 6.900 6.079 -0.404 289 H TYR 42 H TYR 42 10.430 -0.565 -0.048 290 HA TYR 42 HA TYR 42 9.625 -1.711 2.508 291 HB2 TYR 42 1HB TYR 42 11.937 -2.300 0.654 292 HB3 TYR 42 2HB TYR 42 11.709 -3.096 2.207 293 HD1 TYR 42 2HD TYR 42 9.805 -2.387 -0.931 294 HD2 TYR 42 1HD TYR 42 10.602 -5.121 2.230 295 HE1 TYR 42 2HE TYR 42 8.340 -4.046 -2.004 296 HE2 TYR 42 1HE TYR 42 9.141 -6.788 1.165 297 HH TYR 42 HH TYR 42 7.142 -5.997 -1.573 298 H PHE 43 H PHE 43 10.415 -1.094 4.416 299 HA PHE 43 HA PHE 43 12.653 0.820 4.426 300 HB2 PHE 43 1HB PHE 43 10.449 0.526 6.476 301 HB3 PHE 43 2HB PHE 43 11.717 1.747 6.478 302 HD1 PHE 43 2HD PHE 43 11.795 2.705 3.769 303 HD2 PHE 43 1HD PHE 43 8.436 1.578 6.130 304 HE1 PHE 43 2HE PHE 43 10.361 4.195 2.436 305 HE2 PHE 43 1HE PHE 43 6.998 3.066 4.799 306 HZ PHE 43 HZ PHE 43 7.960 4.377 2.950 307 H LYS 44 H LYS 44 14.353 -0.581 4.680 308 HA LYS 44 HA LYS 44 14.413 -2.807 6.387 309 HB2 LYS 44 1HB LYS 44 16.053 -1.999 4.492 310 HB3 LYS 44 2HB LYS 44 16.898 -1.236 5.833 311 HG2 LYS 44 1HG LYS 44 17.490 -3.245 6.783 312 HG3 LYS 44 2HG LYS 44 16.161 -4.120 6.017 313 HD2 LYS 44 1HD LYS 44 17.486 -4.716 4.335 314 HD3 LYS 44 2HD LYS 44 17.855 -3.023 3.991 315 HE2 LYS 44 1HE LYS 44 19.945 -3.933 4.424 316 HE3 LYS 44 2HE LYS 44 19.498 -3.222 5.974 317 HZ1 LYS 44 1HZ LYS 44 20.030 -5.941 5.329 318 HZ2 LYS 44 2HZ LYS 44 18.505 -5.779 6.042 319 HZ3 LYS 44 3HZ LYS 44 19.879 -5.210 6.847 320 H SER 45 H SER 45 14.260 0.442 7.159 321 HA SER 45 HA SER 45 15.816 0.282 9.599 322 HB2 SER 45 1HB SER 45 14.124 2.471 8.383 323 HB3 SER 45 2HB SER 45 14.924 2.628 9.946 324 HG SER 45 HG SER 45 15.989 2.651 7.393 325 H PHE 46 H PHE 46 12.410 0.521 8.659 326 HA PHE 46 HA PHE 46 11.665 -0.108 11.437 327 HB2 PHE 46 1HB PHE 46 9.999 1.193 9.273 328 HB3 PHE 46 2HB PHE 46 9.463 0.860 10.916 329 HD1 PHE 46 2HD PHE 46 10.901 1.924 12.810 330 HD2 PHE 46 1HD PHE 46 10.889 3.255 8.767 331 HE1 PHE 46 2HE PHE 46 11.755 4.116 13.532 332 HE2 PHE 46 1HE PHE 46 11.744 5.448 9.482 333 HZ PHE 46 HZ PHE 46 12.177 5.882 11.868 334 H LYS 47 H LYS 47 12.416 -1.858 9.034 335 HA LYS 47 HA LYS 47 11.636 -3.714 7.917 336 HB2 LYS 47 1HB LYS 47 10.743 -4.123 10.770 337 HB3 LYS 47 2HB LYS 47 10.654 -5.388 9.552 338 HG2 LYS 47 1HG LYS 47 13.218 -3.972 10.206 339 HG3 LYS 47 2HG LYS 47 12.671 -5.404 11.082 340 HD2 LYS 47 1HD LYS 47 12.564 -5.693 8.175 341 HD3 LYS 47 2HD LYS 47 14.192 -5.414 8.799 342 HE2 LYS 47 1HE LYS 47 12.449 -7.417 10.153 343 HE3 LYS 47 2HE LYS 47 13.198 -7.844 8.617 344 HZ1 LYS 47 1HZ LYS 47 15.109 -8.199 9.648 345 HZ2 LYS 47 2HZ LYS 47 14.355 -7.911 11.134 346 HZ3 LYS 47 3HZ LYS 47 15.109 -6.641 10.309 347 H ARG 48 H ARG 48 9.815 -1.443 7.779 348 HA ARG 48 HA ARG 48 7.206 -2.796 7.733 349 HB2 ARG 48 1HB ARG 48 8.064 0.028 8.086 350 HB3 ARG 48 2HB ARG 48 6.549 -0.249 7.239 351 HG2 ARG 48 1HG ARG 48 5.776 -1.597 9.172 352 HG3 ARG 48 2HG ARG 48 7.256 -1.146 10.022 353 HD2 ARG 48 1HD ARG 48 5.611 1.032 8.855 354 HD3 ARG 48 2HD ARG 48 4.988 0.215 10.288 355 HE ARG 48 HE ARG 48 7.537 0.806 10.973 356 HH11 ARG 48 2HH1 ARG 48 4.905 2.691 9.691 357 HH12 ARG 48 1HH1 ARG 48 5.412 4.160 10.457 358 HH21 ARG 48 2HH2 ARG 48 8.214 2.734 11.988 359 HH22 ARG 48 1HH2 ARG 48 7.294 4.183 11.764 360 H VAL 49 H VAL 49 5.746 -2.045 5.903 361 HA VAL 49 HA VAL 49 7.222 -1.569 3.415 362 HB VAL 49 HB VAL 49 5.128 -3.731 3.650 363 HG11 VAL 49 1HG1 VAL 49 5.392 -4.108 1.426 364 HG12 VAL 49 2HG1 VAL 49 5.800 -2.391 1.444 365 HG13 VAL 49 3HG1 VAL 49 7.081 -3.601 1.427 366 HG21 VAL 49 1HG2 VAL 49 7.207 -4.264 4.916 367 HG22 VAL 49 2HG2 VAL 49 6.889 -5.359 3.570 368 HG23 VAL 49 3HG2 VAL 49 8.112 -4.097 3.411 369 H ARG 50 H ARG 50 6.340 0.121 2.440 370 HA ARG 50 HA ARG 50 3.531 0.769 2.959 371 HB2 ARG 50 1HB ARG 50 4.971 2.607 3.409 372 HB3 ARG 50 2HB ARG 50 5.843 2.384 1.897 373 HG2 ARG 50 1HG ARG 50 4.532 3.924 0.998 374 HG3 ARG 50 2HG ARG 50 3.186 2.793 1.155 375 HD2 ARG 50 1HD ARG 50 2.539 3.701 3.239 376 HD3 ARG 50 2HD ARG 50 4.048 4.600 3.396 377 HE ARG 50 HE ARG 50 1.697 5.469 2.083 378 HH11 ARG 50 2HH1 ARG 50 5.168 5.557 1.838 379 HH12 ARG 50 1HH1 ARG 50 5.199 7.052 0.964 380 HH21 ARG 50 2HH2 ARG 50 1.724 7.438 0.933 381 HH22 ARG 50 1HH2 ARG 50 3.239 8.122 0.450 382 H ILE 51 H ILE 51 2.181 -0.146 1.549 383 HA ILE 51 HA ILE 51 2.987 -0.394 -1.259 384 HB ILE 51 HB ILE 51 0.683 -1.645 0.239 385 HG12 ILE 51 1HG1 ILE 51 2.564 -3.441 -1.034 386 HG13 ILE 51 2HG1 ILE 51 3.388 -2.360 0.084 387 HG21 ILE 51 1HG2 ILE 51 1.524 -2.101 -2.620 388 HG22 ILE 51 2HG2 ILE 51 0.177 -2.865 -1.777 389 HG23 ILE 51 3HG2 ILE 51 0.136 -1.136 -2.120 390 HD11 ILE 51 1HD1 ILE 51 2.740 -3.634 1.764 391 HD12 ILE 51 2HD1 ILE 51 1.054 -3.296 1.370 392 HD13 ILE 51 3HD1 ILE 51 1.867 -4.684 0.647 393 H ASN 52 H ASN 52 2.493 1.336 -2.442 394 HA ASN 52 HA ASN 52 0.067 2.855 -1.861 395 HB2 ASN 52 1HB ASN 52 2.068 3.546 -3.999 396 HB3 ASN 52 2HB ASN 52 0.994 4.619 -3.107 397 HD21 ASN 52 2HD2 ASN 52 1.439 4.894 -0.806 398 HD22 ASN 52 1HD2 ASN 52 3.080 4.849 -0.267 399 H PHE 53 H PHE 53 -1.742 2.598 -2.985 400 HA PHE 53 HA PHE 53 -1.643 1.034 -5.464 401 HB2 PHE 53 1HB PHE 53 -3.975 1.694 -3.654 402 HB3 PHE 53 2HB PHE 53 -4.074 0.714 -5.113 403 HD1 PHE 53 1HD PHE 53 -2.235 0.879 -1.877 404 HD2 PHE 53 2HD PHE 53 -3.897 -1.572 -4.934 405 HE1 PHE 53 1HE PHE 53 -1.689 -1.127 -0.561 406 HE2 PHE 53 2HE PHE 53 -3.354 -3.582 -3.622 407 HZ PHE 53 HZ PHE 53 -2.250 -3.360 -1.432 408 H SER 54 H SER 54 -3.793 1.696 -6.831 409 HA SER 54 HA SER 54 -3.331 4.511 -7.525 410 HB2 SER 54 1HB SER 54 -3.633 3.961 -9.715 411 HB3 SER 54 2HB SER 54 -3.217 2.345 -9.142 412 HG SER 54 HG SER 54 -5.097 1.842 -9.939 413 H ASN 55 H ASN 55 -5.567 2.506 -6.015 414 HA ASN 55 HA ASN 55 -7.518 4.644 -5.924 415 HB2 ASN 55 1HB ASN 55 -9.299 2.705 -6.413 416 HB3 ASN 55 2HB ASN 55 -8.637 3.723 -7.690 417 HD21 ASN 55 2HD2 ASN 55 -7.643 0.820 -5.899 418 HD22 ASN 55 1HD2 ASN 55 -7.175 -0.085 -7.294 419 HA PRO 56 HA PRO 56 -8.039 3.155 -1.825 420 HB2 PRO 56 1HB PRO 56 -10.558 4.022 -1.301 421 HB3 PRO 56 2HB PRO 56 -9.168 5.110 -1.399 422 HG2 PRO 56 1HG PRO 56 -11.252 4.509 -3.463 423 HG3 PRO 56 2HG PRO 56 -10.549 6.072 -3.004 424 HD2 PRO 56 1HD PRO 56 -9.758 4.707 -5.206 425 HD3 PRO 56 2HD PRO 56 -8.652 5.729 -4.267 426 H LEU 57 H LEU 57 -9.685 1.871 -4.430 427 HA LEU 57 HA LEU 57 -11.523 0.185 -3.001 428 HB2 LEU 57 1HB LEU 57 -10.599 0.353 -5.847 429 HB3 LEU 57 2HB LEU 57 -11.599 -0.988 -5.294 430 HG LEU 57 HG LEU 57 -12.426 1.898 -5.053 431 HD11 LEU 57 1HD1 LEU 57 -13.798 1.542 -7.029 432 HD12 LEU 57 2HD1 LEU 57 -13.132 -0.079 -7.217 433 HD13 LEU 57 3HD1 LEU 57 -12.089 1.329 -7.410 434 HD21 LEU 57 1HD2 LEU 57 -14.656 0.306 -5.219 435 HD22 LEU 57 2HD2 LEU 57 -13.966 0.963 -3.734 436 HD23 LEU 57 3HD2 LEU 57 -13.547 -0.670 -4.255 437 H SER 58 H SER 58 -8.781 -0.665 -5.120 438 HA SER 58 HA SER 58 -8.484 -3.287 -4.416 439 HB2 SER 58 1HB SER 58 -7.041 -1.506 -5.940 440 HB3 SER 58 2HB SER 58 -5.899 -1.924 -4.663 441 HG SER 58 HG SER 58 -5.944 -4.008 -5.280 442 H ALA 59 H ALA 59 -6.833 -0.538 -2.862 443 HA ALA 59 HA ALA 59 -5.295 -1.643 -0.986 444 HB1 ALA 59 1HB ALA 59 -5.412 0.664 -0.882 445 HB2 ALA 59 2HB ALA 59 -7.173 0.674 -0.772 446 HB3 ALA 59 3HB ALA 59 -6.205 0.178 0.617 447 H ALA 60 H ALA 60 -8.819 -1.615 -0.887 448 HA ALA 60 HA ALA 60 -9.055 -2.730 1.718 449 HB1 ALA 60 1HB ALA 60 -10.822 -1.856 -0.370 450 HB2 ALA 60 2HB ALA 60 -11.356 -3.409 0.271 451 HB3 ALA 60 3HB ALA 60 -11.132 -2.038 1.357 452 H ASP 61 H ASP 61 -9.821 -4.219 -1.437 453 HA ASP 61 HA ASP 61 -10.084 -6.824 -0.584 454 HB2 ASP 61 1HB ASP 61 -9.784 -5.472 -3.099 455 HB3 ASP 61 2HB ASP 61 -8.822 -6.948 -3.113 456 H ALA 62 H ALA 62 -7.192 -4.962 -1.013 457 HA ALA 62 HA ALA 62 -5.348 -7.111 -1.163 458 HB1 ALA 62 1HB ALA 62 -3.788 -5.199 -0.218 459 HB2 ALA 62 2HB ALA 62 -4.371 -5.179 -1.882 460 HB3 ALA 62 3HB ALA 62 -5.166 -4.190 -0.659 461 H ARG 63 H ARG 63 -6.878 -5.414 1.488 462 HA ARG 63 HA ARG 63 -5.160 -6.468 3.519 463 HB2 ARG 63 1HB ARG 63 -6.423 -4.353 3.784 464 HB3 ARG 63 2HB ARG 63 -7.923 -5.272 3.782 465 HG2 ARG 63 1HG ARG 63 -6.878 -6.540 5.774 466 HG3 ARG 63 2HG ARG 63 -5.787 -5.156 5.867 467 HD2 ARG 63 1HD ARG 63 -8.110 -3.850 5.689 468 HD3 ARG 63 2HD ARG 63 -8.688 -5.339 6.435 469 HE ARG 63 HE ARG 63 -6.431 -4.442 7.836 470 HH11 ARG 63 2HH1 ARG 63 -9.746 -3.552 7.257 471 HH12 ARG 63 1HH1 ARG 63 -9.932 -2.743 8.777 472 HH21 ARG 63 2HH2 ARG 63 -6.662 -3.379 9.842 473 HH22 ARG 63 1HH2 ARG 63 -8.176 -2.644 10.247 474 H LEU 64 H LEU 64 -8.512 -7.164 2.536 475 HA LEU 64 HA LEU 64 -8.987 -9.265 4.304 476 HB2 LEU 64 1HB LEU 64 -10.949 -9.476 3.237 477 HB3 LEU 64 2HB LEU 64 -10.453 -7.982 2.445 478 HG LEU 64 HG LEU 64 -9.453 -9.550 0.643 479 HD11 LEU 64 1HD1 LEU 64 -11.595 -11.454 1.279 480 HD12 LEU 64 2HD1 LEU 64 -10.200 -11.509 2.356 481 HD13 LEU 64 3HD1 LEU 64 -9.983 -11.731 0.620 482 HD21 LEU 64 1HD2 LEU 64 -12.330 -9.819 0.385 483 HD22 LEU 64 2HD2 LEU 64 -11.191 -8.877 -0.577 484 HD23 LEU 64 3HD2 LEU 64 -11.852 -8.206 0.914 485 H ARG 65 H ARG 65 -7.480 -9.256 1.115 486 HA ARG 65 HA ARG 65 -7.249 -12.115 0.986 487 HB2 ARG 65 1HB ARG 65 -6.374 -9.812 -0.687 488 HB3 ARG 65 2HB ARG 65 -5.514 -11.334 -0.881 489 HG2 ARG 65 1HG ARG 65 -8.237 -11.987 -0.902 490 HG3 ARG 65 2HG ARG 65 -8.070 -10.544 -1.905 491 HD2 ARG 65 1HD ARG 65 -6.572 -11.592 -3.363 492 HD3 ARG 65 2HD ARG 65 -6.215 -12.880 -2.213 493 HE ARG 65 HE ARG 65 -8.022 -14.031 -3.007 494 HH11 ARG 65 2HH1 ARG 65 -8.284 -10.701 -3.987 495 HH12 ARG 65 1HH1 ARG 65 -9.659 -10.974 -5.006 496 HH21 ARG 65 2HH2 ARG 65 -9.832 -14.403 -4.345 497 HH22 ARG 65 1HH2 ARG 65 -10.539 -13.080 -5.208 498 H LEU 66 H LEU 66 -5.636 -9.761 2.714 499 HA LEU 66 HA LEU 66 -3.363 -11.569 3.147 500 HB2 LEU 66 1HB LEU 66 -3.045 -8.583 3.097 501 HB3 LEU 66 2HB LEU 66 -1.786 -9.815 3.119 502 HG LEU 66 HG LEU 66 -3.647 -9.471 0.782 503 HD11 LEU 66 1HD1 LEU 66 -2.034 -8.062 -0.277 504 HD12 LEU 66 2HD1 LEU 66 -0.927 -8.214 1.087 505 HD13 LEU 66 3HD1 LEU 66 -2.449 -7.343 1.279 506 HD21 LEU 66 1HD2 LEU 66 -2.138 -10.795 -0.391 507 HD22 LEU 66 2HD2 LEU 66 -2.204 -11.563 1.196 508 HD23 LEU 66 3HD2 LEU 66 -0.842 -10.523 0.775 509 H HIS 67 H HIS 67 -2.192 -9.490 4.940 510 HA HIS 67 HA HIS 67 -2.422 -8.637 7.069 511 HB2 HIS 67 1HB HIS 67 -4.964 -8.497 6.342 512 HB3 HIS 67 2HB HIS 67 -5.122 -9.857 7.449 513 HD1 HIS 67 1HD HIS 67 -2.537 -7.816 8.791 514 HD2 HIS 67 2HD HIS 67 -6.686 -7.601 8.725 515 HE1 HIS 67 1HE HIS 67 -3.159 -6.248 10.656 516 H LYS 68 H LYS 68 -4.076 -10.164 9.074 517 HA LYS 68 HA LYS 68 -2.265 -11.686 10.321 518 HB2 LYS 68 1HB LYS 68 -5.205 -12.312 10.016 519 HB3 LYS 68 2HB LYS 68 -4.153 -13.105 11.181 520 HG2 LYS 68 1HG LYS 68 -4.033 -11.281 12.531 521 HG3 LYS 68 2HG LYS 68 -4.229 -10.142 11.197 522 HD2 LYS 68 1HD LYS 68 -6.570 -11.826 11.600 523 HD3 LYS 68 2HD LYS 68 -6.170 -10.859 13.021 524 HE2 LYS 68 1HE LYS 68 -5.988 -9.356 10.534 525 HE3 LYS 68 2HE LYS 68 -7.600 -10.010 10.821 526 HZ1 LYS 68 1HZ LYS 68 -7.490 -9.001 13.068 527 HZ2 LYS 68 2HZ LYS 68 -7.471 -7.866 11.815 528 HZ3 LYS 68 3HZ LYS 68 -6.038 -8.249 12.630 529 H THR 69 H THR 69 -3.953 -12.577 7.408 530 HA THR 69 HA THR 69 -3.860 -15.216 7.128 531 HB THR 69 HB THR 69 -2.995 -14.919 4.769 532 HG1 THR 69 1HG THR 69 -2.219 -13.019 4.175 533 HG21 THR 69 1HG2 THR 69 -5.012 -12.826 4.919 534 HG22 THR 69 2HG2 THR 69 -5.421 -14.230 5.906 535 HG23 THR 69 3HG2 THR 69 -5.099 -14.426 4.183 536 H GLU 70 H GLU 70 -2.452 -16.875 7.142 537 HA GLU 70 HA GLU 70 0.182 -16.464 8.132 538 HB2 GLU 70 1HB GLU 70 -1.551 -18.747 7.513 539 HB3 GLU 70 2HB GLU 70 0.156 -19.060 7.233 540 HG2 GLU 70 1HG GLU 70 0.711 -18.630 9.479 541 HG3 GLU 70 2HG GLU 70 -0.861 -17.904 9.808 542 H PHE 71 H PHE 71 1.271 -15.177 6.633 543 HA PHE 71 HA PHE 71 1.499 -15.897 3.879 544 HB2 PHE 71 1HB PHE 71 1.757 -13.590 4.413 545 HB3 PHE 71 2HB PHE 71 2.989 -13.937 5.622 546 HD1 PHE 71 1HD PHE 71 2.288 -13.838 2.005 547 HD2 PHE 71 2HD PHE 71 5.268 -14.159 5.026 548 HE1 PHE 71 1HE PHE 71 4.038 -13.494 0.310 549 HE2 PHE 71 2HE PHE 71 7.023 -13.815 3.337 550 HZ PHE 71 HZ PHE 71 6.409 -13.481 0.975 551 H LEU 72 H LEU 72 2.385 -17.850 3.478 552 HA LEU 72 HA LEU 72 3.972 -19.461 3.240 553 HB2 LEU 72 1HB LEU 72 5.536 -17.011 3.770 554 HB3 LEU 72 2HB LEU 72 6.382 -18.541 3.986 555 HG LEU 72 HG LEU 72 5.003 -18.592 1.484 556 HD11 LEU 72 1HD1 LEU 72 6.974 -16.344 1.569 557 HD12 LEU 72 2HD1 LEU 72 5.266 -16.049 1.890 558 HD13 LEU 72 3HD1 LEU 72 5.766 -16.730 0.343 559 HD21 LEU 72 1HD2 LEU 72 7.938 -18.262 1.606 560 HD22 LEU 72 2HD2 LEU 72 6.963 -19.469 0.769 561 HD23 LEU 72 3HD2 LEU 72 7.256 -19.620 2.502 562 H GLY 73 H GLY 73 2.691 -18.709 5.943 563 HA2 GLY 73 1HA GLY 73 2.734 -20.442 7.680 564 HA3 GLY 73 2HA GLY 73 4.487 -20.404 7.567 565 H LYS 74 H LYS 74 4.488 -17.444 7.369 566 HA LYS 74 HA LYS 74 4.245 -16.925 10.238 567 HB2 LYS 74 1HB LYS 74 5.643 -15.382 8.046 568 HB3 LYS 74 2HB LYS 74 5.611 -14.903 9.737 569 HG2 LYS 74 1HG LYS 74 6.688 -17.559 8.845 570 HG3 LYS 74 2HG LYS 74 7.686 -16.105 8.919 571 HD2 LYS 74 1HD LYS 74 7.873 -16.237 11.142 572 HD3 LYS 74 2HD LYS 74 6.142 -16.511 11.347 573 HE2 LYS 74 1HE LYS 74 6.358 -18.795 11.265 574 HE3 LYS 74 2HE LYS 74 7.825 -18.729 10.290 575 HZ1 LYS 74 1HZ LYS 74 9.015 -18.938 12.127 576 HZ2 LYS 74 2HZ LYS 74 7.607 -19.013 13.060 577 HZ3 LYS 74 3HZ LYS 74 8.346 -17.520 12.763 578 H GLU 75 H GLU 75 2.786 -15.563 11.080 579 HA GLU 75 HA GLU 75 0.680 -14.563 9.429 580 HB2 GLU 75 1HB GLU 75 -0.097 -15.184 11.516 581 HB3 GLU 75 2HB GLU 75 1.301 -14.522 12.350 582 HG2 GLU 75 1HG GLU 75 0.460 -12.244 11.826 583 HG3 GLU 75 2HG GLU 75 -0.997 -12.986 11.165 584 H MET 76 H MET 76 0.668 -12.719 8.341 585 HA MET 76 HA MET 76 2.582 -10.624 9.071 586 HB2 MET 76 1HB MET 76 2.905 -10.973 6.829 587 HB3 MET 76 2HB MET 76 1.233 -11.443 6.550 588 HG2 MET 76 1HG MET 76 0.524 -9.143 6.647 589 HG3 MET 76 2HG MET 76 2.156 -8.628 7.065 590 HE1 MET 76 1HE MET 76 0.922 -11.128 3.862 591 HE2 MET 76 2HE MET 76 -0.235 -10.077 4.680 592 HE3 MET 76 3HE MET 76 0.357 -9.655 3.073 593 H LYS 77 H LYS 77 1.897 -8.382 9.013 594 HA LYS 77 HA LYS 77 -0.929 -8.059 9.785 595 HB2 LYS 77 1HB LYS 77 1.547 -7.208 11.071 596 HB3 LYS 77 2HB LYS 77 0.423 -5.876 10.831 597 HG2 LYS 77 1HG LYS 77 -1.311 -7.105 12.016 598 HG3 LYS 77 2HG LYS 77 -0.211 -8.468 12.229 599 HD2 LYS 77 1HD LYS 77 1.257 -6.387 13.223 600 HD3 LYS 77 2HD LYS 77 -0.383 -5.938 13.693 601 HE2 LYS 77 1HE LYS 77 -0.428 -8.522 14.385 602 HE3 LYS 77 2HE LYS 77 1.298 -8.212 14.570 603 HZ1 LYS 77 1HZ LYS 77 -0.168 -6.108 15.736 604 HZ2 LYS 77 2HZ LYS 77 0.901 -7.189 16.476 605 HZ3 LYS 77 3HZ LYS 77 -0.740 -7.579 16.346 606 H LEU 78 H LEU 78 -1.759 -5.802 9.452 607 HA LEU 78 HA LEU 78 -0.475 -4.229 7.402 608 HB2 LEU 78 1HB LEU 78 -2.802 -5.987 6.850 609 HB3 LEU 78 2HB LEU 78 -2.797 -4.383 6.120 610 HG LEU 78 HG LEU 78 -0.288 -5.800 5.715 611 HD11 LEU 78 1HD1 LEU 78 -2.798 -7.231 5.264 612 HD12 LEU 78 2HD1 LEU 78 -1.143 -7.834 5.344 613 HD13 LEU 78 3HD1 LEU 78 -1.755 -7.135 3.845 614 HD21 LEU 78 1HD2 LEU 78 -0.799 -5.168 3.360 615 HD22 LEU 78 2HD2 LEU 78 -0.820 -3.813 4.490 616 HD23 LEU 78 3HD2 LEU 78 -2.337 -4.510 3.920 617 H TYR 79 H TYR 79 -1.177 -2.130 7.372 618 HA TYR 79 HA TYR 79 -3.516 -1.448 9.011 619 HB2 TYR 79 1HB TYR 79 -0.750 -0.259 9.233 620 HB3 TYR 79 2HB TYR 79 -2.186 0.524 9.887 621 HD1 TYR 79 1HD TYR 79 -0.229 -2.639 10.057 622 HD2 TYR 79 2HD TYR 79 -2.946 -0.022 12.026 623 HE1 TYR 79 1HE TYR 79 0.000 -3.962 12.119 624 HE2 TYR 79 2HE TYR 79 -2.724 -1.337 14.093 625 HH TYR 79 HH TYR 79 -2.090 -3.600 14.775 626 H PHE 80 H PHE 80 -4.529 0.530 8.482 627 HA PHE 80 HA PHE 80 -4.378 1.190 5.700 628 HB2 PHE 80 1HB PHE 80 -6.131 1.872 7.983 629 HB3 PHE 80 2HB PHE 80 -6.020 3.090 6.716 630 HD1 PHE 80 2HD PHE 80 -5.932 1.697 4.260 631 HD2 PHE 80 1HD PHE 80 -8.073 0.679 7.796 632 HE1 PHE 80 2HE PHE 80 -7.559 0.439 2.909 633 HE2 PHE 80 1HE PHE 80 -9.703 -0.581 6.450 634 HZ PHE 80 HZ PHE 80 -9.448 -0.701 4.003 635 H ALA 81 H ALA 81 -2.668 2.322 5.013 636 HA ALA 81 HA ALA 81 -1.180 4.149 6.539 637 HB1 ALA 81 1HB ALA 81 -1.224 4.526 3.609 638 HB2 ALA 81 2HB ALA 81 0.141 4.355 4.713 639 HB3 ALA 81 3HB ALA 81 -0.758 2.929 4.195 640 H GLN 82 H GLN 82 -1.060 6.423 6.460 641 HA GLN 82 HA GLN 82 -2.789 8.073 4.982 642 HB2 GLN 82 1HB GLN 82 -4.181 6.798 6.960 643 HB3 GLN 82 2HB GLN 82 -3.706 8.287 7.768 644 HG2 GLN 82 1HG GLN 82 -5.081 9.558 6.529 645 HG3 GLN 82 2HG GLN 82 -4.801 8.620 5.062 646 HE21 GLN 82 2HE2 GLN 82 -6.420 8.462 8.203 647 HE22 GLN 82 1HE2 GLN 82 -7.767 7.528 7.658 648 H THR 83 H THR 83 -1.780 8.113 8.403 649 HA THR 83 HA THR 83 0.267 10.085 7.822 650 HB THR 83 HB THR 83 -0.600 11.669 9.556 651 HG1 THR 83 1HG THR 83 -2.826 9.916 9.387 652 HG21 THR 83 1HG2 THR 83 -0.899 12.058 7.124 653 HG22 THR 83 2HG2 THR 83 -2.189 12.764 8.097 654 HG23 THR 83 3HG2 THR 83 -2.467 11.260 7.218 655 H LEU 84 H LEU 84 1.586 8.340 8.587 656 HA LEU 84 HA LEU 84 2.664 7.057 10.146 657 HB2 LEU 84 1HB LEU 84 2.226 9.652 11.601 658 HB3 LEU 84 2HB LEU 84 3.235 8.354 12.235 659 HG LEU 84 HG LEU 84 4.326 8.705 9.772 660 HD11 LEU 84 1HD1 LEU 84 4.169 11.522 10.522 661 HD12 LEU 84 2HD1 LEU 84 2.646 10.855 9.936 662 HD13 LEU 84 3HD1 LEU 84 4.093 10.762 8.933 663 HD21 LEU 84 1HD2 LEU 84 5.788 10.441 11.273 664 HD22 LEU 84 2HD2 LEU 84 5.936 8.684 11.334 665 HD23 LEU 84 3HD2 LEU 84 4.937 9.528 12.519 666 H HIS 85 H HIS 85 1.155 5.416 10.487 667 HA HIS 85 HA HIS 85 -0.579 5.733 12.845 668 HB2 HIS 85 1HB HIS 85 -1.271 4.894 10.331 669 HB3 HIS 85 2HB HIS 85 -0.995 3.362 11.157 670 HD1 HIS 85 1HD HIS 85 -2.591 6.502 12.572 671 HD2 HIS 85 2HD HIS 85 -3.533 2.552 11.693 672 HE1 HIS 85 1HE HIS 85 -4.915 6.150 13.467 673 H ILE 86 H ILE 86 -0.764 3.932 14.312 674 HA ILE 86 HA ILE 86 1.343 1.922 14.201 675 HB ILE 86 HB ILE 86 2.383 3.769 15.422 676 HG12 ILE 86 1HG1 ILE 86 1.663 1.675 17.461 677 HG13 ILE 86 2HG1 ILE 86 2.647 1.276 16.056 678 HG21 ILE 86 1HG2 ILE 86 0.074 4.577 16.263 679 HG22 ILE 86 2HG2 ILE 86 0.359 3.469 17.604 680 HG23 ILE 86 3HG2 ILE 86 1.485 4.791 17.299 681 HD11 ILE 86 1HD1 ILE 86 3.616 2.117 18.439 682 HD12 ILE 86 2HD1 ILE 86 4.462 2.271 16.899 683 HD13 ILE 86 3HD1 ILE 86 3.546 3.634 17.541 684 H GLY 87 H GLY 87 0.992 0.128 15.601 685 HA2 GLY 87 1HA GLY 87 -1.838 -0.160 16.345 686 HA3 GLY 87 2HA GLY 87 -0.726 -1.482 16.019 687 H SER 88 H SER 88 -1.194 -2.537 17.950 688 HA SER 88 HA SER 88 0.009 -1.282 20.321 689 HB2 SER 88 1HB SER 88 -2.416 -1.111 20.573 690 HB3 SER 88 2HB SER 88 -2.587 -2.840 20.270 691 HG SER 88 HG SER 88 -2.515 -2.809 22.408 692 H SER 89 H SER 89 1.881 -2.519 19.926 693 HA SER 89 HA SER 89 1.643 -5.422 19.953 694 HB2 SER 89 1HB SER 89 3.758 -3.469 19.249 695 HB3 SER 89 2HB SER 89 4.312 -4.994 19.940 696 HG SER 89 HG SER 89 2.953 -4.510 17.539 697 H HIS 90 H HIS 90 0.810 -5.554 22.125 698 HA HIS 90 HA HIS 90 2.678 -4.868 24.265 699 HB2 HIS 90 1HB HIS 90 -0.225 -5.328 24.077 700 HB3 HIS 90 2HB HIS 90 0.532 -5.988 25.523 701 HD1 HIS 90 1HD HIS 90 1.106 -2.686 23.714 702 HD2 HIS 90 2HD HIS 90 0.092 -4.163 27.463 703 HE1 HIS 90 1HE HIS 90 0.945 -0.671 25.210 704 H LEU 91 H LEU 91 3.725 -6.347 25.502 705 HA LEU 91 HA LEU 91 4.601 -8.715 24.632 706 HB2 LEU 91 1HB LEU 91 4.615 -7.400 27.076 707 HB3 LEU 91 2HB LEU 91 3.946 -8.988 27.443 708 HG LEU 91 HG LEU 91 6.080 -9.750 26.025 709 HD11 LEU 91 1HD1 LEU 91 7.798 -8.308 25.937 710 HD12 LEU 91 2HD1 LEU 91 7.422 -7.601 27.507 711 HD13 LEU 91 3HD1 LEU 91 6.539 -7.080 26.072 712 HD21 LEU 91 1HD2 LEU 91 5.329 -9.629 28.749 713 HD22 LEU 91 2HD2 LEU 91 7.038 -9.203 28.651 714 HD23 LEU 91 3HD2 LEU 91 6.469 -10.731 27.975 715 H ALA 92 H ALA 92 3.811 -10.648 24.123 716 HA ALA 92 HA ALA 92 1.059 -11.283 24.932 717 HB1 ALA 92 1HB ALA 92 0.729 -12.231 22.921 718 HB2 ALA 92 2HB ALA 92 2.123 -11.260 22.445 719 HB3 ALA 92 3HB ALA 92 2.336 -12.957 22.882 720 HA PRO 93 HA PRO 93 2.451 -14.513 27.581 721 HB2 PRO 93 1HB PRO 93 0.218 -16.056 27.589 722 HB3 PRO 93 2HB PRO 93 0.323 -14.515 28.447 723 HG2 PRO 93 1HG PRO 93 -0.902 -15.121 25.783 724 HG3 PRO 93 2HG PRO 93 -1.524 -14.101 27.095 725 HD2 PRO 93 1HD PRO 93 -0.302 -13.076 24.906 726 HD3 PRO 93 2HD PRO 93 -0.191 -12.314 26.506 727 HA PRO 94 HA PRO 94 3.918 -17.868 25.139 728 HB2 PRO 94 1HB PRO 94 4.087 -19.832 27.007 729 HB3 PRO 94 2HB PRO 94 5.203 -18.462 26.948 730 HG2 PRO 94 1HG PRO 94 2.802 -18.874 28.687 731 HG3 PRO 94 2HG PRO 94 4.400 -18.236 29.117 732 HD2 PRO 94 1HD PRO 94 2.261 -16.634 28.679 733 HD3 PRO 94 2HD PRO 94 3.922 -16.137 28.297 734 H ASN 95 H ASN 95 3.261 -19.720 24.056 735 HA ASN 95 HA ASN 95 0.602 -20.777 24.750 736 HB2 ASN 95 1HB ASN 95 0.996 -19.159 22.610 737 HB3 ASN 95 2HB ASN 95 1.310 -20.730 21.879 738 HD21 ASN 95 2HD2 ASN 95 -1.014 -19.236 24.109 739 HD22 ASN 95 1HD2 ASN 95 -2.413 -19.965 23.406 740 HA PRO 96 HA PRO 96 2.525 -24.731 24.536 741 HB2 PRO 96 1HB PRO 96 0.321 -26.260 24.113 742 HB3 PRO 96 2HB PRO 96 0.690 -25.518 25.674 743 HG2 PRO 96 1HG PRO 96 -1.193 -24.597 23.537 744 HG3 PRO 96 2HG PRO 96 -1.426 -24.633 25.295 745 HD2 PRO 96 1HD PRO 96 -0.775 -22.370 23.957 746 HD3 PRO 96 2HD PRO 96 -0.235 -22.687 25.619 747 H ASP 97 H ASP 97 3.424 -26.012 23.010 748 HA ASP 97 HA ASP 97 2.256 -26.778 20.585 749 HB2 ASP 97 1HB ASP 97 3.059 -24.120 20.493 750 HB3 ASP 97 2HB ASP 97 4.382 -24.986 19.718 751 H LYS 98 H LYS 98 4.057 -27.525 18.974 752 HA LYS 98 HA LYS 98 5.854 -28.860 18.561 753 HB2 LYS 98 1HB LYS 98 6.960 -26.845 19.854 754 HB3 LYS 98 2HB LYS 98 7.172 -28.048 21.119 755 HG2 LYS 98 1HG LYS 98 8.020 -29.202 18.674 756 HG3 LYS 98 2HG LYS 98 8.755 -27.603 18.812 757 HD2 LYS 98 1HD LYS 98 9.422 -28.261 21.164 758 HD3 LYS 98 2HD LYS 98 8.938 -29.906 20.744 759 HE2 LYS 98 1HE LYS 98 10.548 -29.918 18.911 760 HE3 LYS 98 2HE LYS 98 11.014 -28.262 19.296 761 HZ1 LYS 98 1HZ LYS 98 11.765 -29.040 21.473 762 HZ2 LYS 98 2HZ LYS 98 12.589 -29.819 20.219 763 HZ3 LYS 98 3HZ LYS 98 11.362 -30.629 21.057 764 H SER 99 H SER 99 6.830 -30.869 19.224 765 HA SER 99 HA SER 99 5.774 -32.044 21.690 766 HB2 SER 99 1HB SER 99 5.643 -34.031 19.633 767 HB3 SER 99 2HB SER 99 4.338 -33.403 20.639 768 HG SER 99 HG SER 99 4.070 -31.726 19.122 769 H GLY 100 H GLY 100 7.801 -32.623 18.819 770 HA2 GLY 100 1HA GLY 100 10.246 -32.863 19.549 771 HA3 GLY 100 2HA GLY 100 9.628 -34.189 20.522 772 HA PRO 101 HA PRO 101 9.377 -35.372 15.801 773 HB2 PRO 101 1HB PRO 101 11.210 -34.091 14.260 774 HB3 PRO 101 2HB PRO 101 9.563 -33.492 14.494 775 HG2 PRO 101 1HG PRO 101 12.097 -32.643 15.844 776 HG3 PRO 101 2HG PRO 101 10.773 -31.643 15.217 777 HD2 PRO 101 1HD PRO 101 11.035 -32.231 17.848 778 HD3 PRO 101 2HD PRO 101 9.454 -32.004 17.073 779 H SER 102 H SER 102 11.158 -36.362 14.276 780 HA SER 102 HA SER 102 13.522 -37.129 15.834 781 HB2 SER 102 1HB SER 102 11.315 -38.884 14.955 782 HB3 SER 102 2HB SER 102 12.937 -39.491 14.621 783 HG SER 102 HG SER 102 12.478 -38.438 17.154 784 H SER 103 H SER 103 14.933 -38.639 14.324 785 HA SER 103 HA SER 103 14.900 -37.591 11.582 786 HB2 SER 103 1HB SER 103 16.614 -36.556 13.423 787 HB3 SER 103 2HB SER 103 17.584 -37.882 12.783 788 HG SER 103 HG SER 103 16.701 -36.873 10.655 789 H GLY 104 H GLY 104 16.683 -38.786 10.260 790 HA2 GLY 104 1HA GLY 104 17.953 -40.905 10.157 791 HA3 GLY 104 2HA GLY 104 16.614 -41.640 11.026 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -8.634 17.837 -9.657 2 HA2 GLY 1 1HA GLY 1 -6.562 16.471 -10.603 3 HA3 GLY 1 2HA GLY 1 -5.729 17.604 -9.548 4 H SER 2 H SER 2 -8.148 15.034 -9.629 5 HA SER 2 HA SER 2 -8.903 14.652 -7.099 6 HB2 SER 2 1HB SER 2 -8.022 12.689 -9.176 7 HB3 SER 2 2HB SER 2 -8.400 12.098 -7.558 8 HG SER 2 HG SER 2 -10.108 13.568 -9.285 9 H SER 3 H SER 3 -8.073 14.188 -5.144 10 HA SER 3 HA SER 3 -5.166 13.728 -4.992 11 HB2 SER 3 1HB SER 3 -6.954 15.556 -3.563 12 HB3 SER 3 2HB SER 3 -5.909 14.625 -2.491 13 HG SER 3 HG SER 3 -4.235 15.697 -3.196 14 H GLY 4 H GLY 4 -5.332 11.465 -5.061 15 HA2 GLY 4 1HA GLY 4 -6.470 10.280 -2.605 16 HA3 GLY 4 2HA GLY 4 -6.619 9.497 -4.171 17 H SER 5 H SER 5 -5.113 9.125 -1.405 18 HA SER 5 HA SER 5 -2.445 8.580 -2.468 19 HB2 SER 5 1HB SER 5 -1.818 8.182 -0.115 20 HB3 SER 5 2HB SER 5 -2.577 9.761 -0.322 21 HG SER 5 HG SER 5 -3.621 8.934 1.382 22 H SER 6 H SER 6 -5.025 6.896 -0.683 23 HA SER 6 HA SER 6 -5.467 4.675 -0.391 24 HB2 SER 6 1HB SER 6 -6.209 4.911 -2.693 25 HB3 SER 6 2HB SER 6 -4.566 4.661 -3.282 26 HG SER 6 HG SER 6 -5.738 2.738 -3.420 27 H GLY 7 H GLY 7 -3.260 5.049 0.912 28 HA2 GLY 7 1HA GLY 7 -1.223 3.186 -0.097 29 HA3 GLY 7 2HA GLY 7 -0.990 4.360 1.190 30 H LEU 8 H LEU 8 -0.143 1.800 1.559 31 HA LEU 8 HA LEU 8 -1.827 0.971 3.778 32 HB2 LEU 8 1HB LEU 8 -1.351 -0.648 1.328 33 HB3 LEU 8 2HB LEU 8 -1.394 -1.475 2.882 34 HG LEU 8 HG LEU 8 -3.620 0.174 1.686 35 HD11 LEU 8 1HD1 LEU 8 -4.134 -2.622 2.270 36 HD12 LEU 8 2HD1 LEU 8 -2.858 -2.404 1.073 37 HD13 LEU 8 3HD1 LEU 8 -4.450 -1.693 0.804 38 HD21 LEU 8 1HD2 LEU 8 -3.106 -0.795 4.388 39 HD22 LEU 8 2HD2 LEU 8 -4.660 -1.321 3.740 40 HD23 LEU 8 3HD2 LEU 8 -4.270 0.398 3.813 41 H ILE 9 H ILE 9 -0.641 0.345 5.477 42 HA ILE 9 HA ILE 9 2.248 0.005 5.064 43 HB ILE 9 HB ILE 9 0.771 0.602 7.630 44 HG12 ILE 9 1HG1 ILE 9 0.786 2.389 5.776 45 HG13 ILE 9 2HG1 ILE 9 1.344 2.868 7.375 46 HG21 ILE 9 1HG2 ILE 9 2.830 -0.535 8.081 47 HG22 ILE 9 2HG2 ILE 9 3.707 0.510 6.964 48 HG23 ILE 9 3HG2 ILE 9 3.047 1.175 8.458 49 HD11 ILE 9 1HD1 ILE 9 3.477 3.167 6.687 50 HD12 ILE 9 2HD1 ILE 9 3.385 1.892 5.472 51 HD13 ILE 9 3HD1 ILE 9 2.662 3.468 5.153 52 H ALA 10 H ALA 10 2.446 -2.150 4.595 53 HA ALA 10 HA ALA 10 1.217 -4.112 6.373 54 HB1 ALA 10 1HB ALA 10 2.437 -4.194 3.669 55 HB2 ALA 10 2HB ALA 10 2.507 -5.660 4.649 56 HB3 ALA 10 3HB ALA 10 0.949 -4.929 4.266 57 H CYS 11 H CYS 11 2.308 -5.321 7.824 58 HA CYS 11 HA CYS 11 5.210 -4.863 8.038 59 HB2 CYS 11 1HB CYS 11 3.624 -4.002 9.887 60 HB3 CYS 11 2HB CYS 11 3.461 -5.694 10.340 61 HG CYS 11 HG CYS 11 5.692 -5.923 11.621 62 H VAL 12 H VAL 12 6.322 -6.577 7.386 63 HA VAL 12 HA VAL 12 5.170 -9.253 7.735 64 HB VAL 12 HB VAL 12 7.697 -9.010 6.246 65 HG11 VAL 12 1HG1 VAL 12 6.346 -11.074 6.419 66 HG12 VAL 12 2HG1 VAL 12 5.048 -10.265 5.539 67 HG13 VAL 12 3HG1 VAL 12 6.600 -10.554 4.753 68 HG21 VAL 12 1HG2 VAL 12 6.303 -8.225 4.205 69 HG22 VAL 12 2HG2 VAL 12 5.230 -7.530 5.420 70 HG23 VAL 12 3HG2 VAL 12 6.918 -7.024 5.339 71 H ALA 13 H ALA 13 6.258 -10.890 8.790 72 HA ALA 13 HA ALA 13 8.253 -10.008 10.714 73 HB1 ALA 13 1HB ALA 13 6.146 -11.836 10.793 74 HB2 ALA 13 2HB ALA 13 7.612 -12.812 10.879 75 HB3 ALA 13 3HB ALA 13 7.339 -11.526 12.055 76 H ASN 14 H ASN 14 7.995 -12.046 7.886 77 HA ASN 14 HA ASN 14 10.474 -13.400 8.218 78 HB2 ASN 14 1HB ASN 14 8.375 -13.228 6.184 79 HB3 ASN 14 2HB ASN 14 9.987 -13.420 5.503 80 HD21 ASN 14 2HD2 ASN 14 8.051 -15.349 5.215 81 HD22 ASN 14 1HD2 ASN 14 8.505 -16.753 6.115 82 H ASP 15 H ASP 15 12.219 -12.113 8.500 83 HA ASP 15 HA ASP 15 12.704 -9.650 7.289 84 HB2 ASP 15 1HB ASP 15 15.044 -9.966 7.949 85 HB3 ASP 15 2HB ASP 15 13.952 -10.453 9.243 86 H ASP 16 H ASP 16 12.831 -12.792 5.970 87 HA ASP 16 HA ASP 16 14.779 -12.374 3.951 88 HB2 ASP 16 1HB ASP 16 13.021 -14.480 4.774 89 HB3 ASP 16 2HB ASP 16 12.867 -14.259 3.035 90 H VAL 17 H VAL 17 11.350 -11.720 4.184 91 HA VAL 17 HA VAL 17 10.714 -11.357 1.500 92 HB VAL 17 HB VAL 17 9.636 -10.086 4.001 93 HG11 VAL 17 1HG1 VAL 17 8.899 -9.509 1.149 94 HG12 VAL 17 2HG1 VAL 17 7.740 -9.311 2.465 95 HG13 VAL 17 3HG1 VAL 17 9.235 -8.373 2.456 96 HG21 VAL 17 1HG2 VAL 17 8.811 -12.213 3.957 97 HG22 VAL 17 2HG2 VAL 17 7.585 -11.413 2.973 98 HG23 VAL 17 3HG2 VAL 17 8.881 -12.324 2.198 99 H PHE 18 H PHE 18 12.703 -9.468 3.562 100 HA PHE 18 HA PHE 18 12.489 -7.057 1.971 101 HB2 PHE 18 1HB PHE 18 14.291 -7.780 4.291 102 HB3 PHE 18 2HB PHE 18 14.256 -6.201 3.512 103 HD1 PHE 18 2HD PHE 18 12.147 -8.627 5.360 104 HD2 PHE 18 1HD PHE 18 12.728 -4.578 4.184 105 HE1 PHE 18 2HE PHE 18 10.325 -7.934 6.861 106 HE2 PHE 18 1HE PHE 18 10.908 -3.878 5.684 107 HZ PHE 18 HZ PHE 18 9.702 -5.556 7.023 108 H SER 19 H SER 19 13.342 -9.417 0.583 109 HA SER 19 HA SER 19 15.913 -8.433 -0.410 110 HB2 SER 19 1HB SER 19 15.887 -10.600 1.228 111 HB3 SER 19 2HB SER 19 15.678 -11.379 -0.341 112 HG SER 19 HG SER 19 17.914 -10.517 0.707 113 H GLU 20 H GLU 20 15.695 -8.049 -2.502 114 HA GLU 20 HA GLU 20 13.496 -8.888 -4.039 115 HB2 GLU 20 1HB GLU 20 14.684 -7.936 -5.948 116 HB3 GLU 20 2HB GLU 20 14.792 -6.870 -4.554 117 HG2 GLU 20 1HG GLU 20 16.990 -6.861 -4.723 118 HG3 GLU 20 2HG GLU 20 17.023 -8.607 -4.481 119 H SER 21 H SER 21 16.142 -10.634 -3.025 120 HA SER 21 HA SER 21 17.065 -12.164 -5.060 121 HB2 SER 21 1HB SER 21 16.914 -12.426 -2.247 122 HB3 SER 21 2HB SER 21 16.363 -13.959 -2.924 123 HG SER 21 HG SER 21 18.849 -13.062 -2.715 124 H GLU 22 H GLU 22 14.131 -12.983 -3.199 125 HA GLU 22 HA GLU 22 12.675 -13.749 -5.518 126 HB2 GLU 22 1HB GLU 22 14.373 -15.738 -4.372 127 HB3 GLU 22 2HB GLU 22 12.703 -16.194 -4.067 128 HG2 GLU 22 1HG GLU 22 12.354 -16.745 -6.192 129 HG3 GLU 22 2HG GLU 22 13.138 -15.286 -6.792 130 H THR 23 H THR 23 12.922 -14.726 -2.094 131 HA THR 23 HA THR 23 10.390 -15.172 -1.376 132 HB THR 23 HB THR 23 12.060 -13.268 0.263 133 HG1 THR 23 1HG THR 23 12.448 -15.974 -0.357 134 HG21 THR 23 1HG2 THR 23 9.580 -14.427 0.717 135 HG22 THR 23 2HG2 THR 23 10.640 -13.715 1.932 136 HG23 THR 23 3HG2 THR 23 10.701 -15.448 1.616 137 H ARG 24 H ARG 24 11.735 -11.958 -1.980 138 HA ARG 24 HA ARG 24 9.556 -10.422 -1.158 139 HB2 ARG 24 1HB ARG 24 11.784 -9.509 -1.733 140 HB3 ARG 24 2HB ARG 24 11.463 -9.839 -3.430 141 HG2 ARG 24 1HG ARG 24 9.721 -8.224 -3.500 142 HG3 ARG 24 2HG ARG 24 9.752 -8.029 -1.747 143 HD2 ARG 24 1HD ARG 24 11.043 -6.247 -2.223 144 HD3 ARG 24 2HD ARG 24 12.320 -7.455 -2.347 145 HE ARG 24 HE ARG 24 11.284 -7.363 -4.852 146 HH11 ARG 24 2HH1 ARG 24 12.518 -4.956 -2.659 147 HH12 ARG 24 1HH1 ARG 24 13.083 -3.911 -3.919 148 HH21 ARG 24 2HH2 ARG 24 12.026 -5.995 -6.519 149 HH22 ARG 24 1HH2 ARG 24 12.802 -4.502 -6.114 150 H ALA 25 H ALA 25 10.361 -11.459 -4.478 151 HA ALA 25 HA ALA 25 8.341 -10.539 -5.956 152 HB1 ALA 25 1HB ALA 25 8.916 -13.468 -6.159 153 HB2 ALA 25 2HB ALA 25 8.646 -12.289 -7.443 154 HB3 ALA 25 3HB ALA 25 10.161 -12.279 -6.542 155 H LYS 26 H LYS 26 8.038 -13.522 -4.024 156 HA LYS 26 HA LYS 26 5.416 -14.149 -4.526 157 HB2 LYS 26 1HB LYS 26 6.904 -14.378 -1.905 158 HB3 LYS 26 2HB LYS 26 5.381 -15.183 -2.260 159 HG2 LYS 26 1HG LYS 26 6.533 -16.890 -3.065 160 HG3 LYS 26 2HG LYS 26 7.104 -15.844 -4.367 161 HD2 LYS 26 1HD LYS 26 8.895 -15.074 -2.700 162 HD3 LYS 26 2HD LYS 26 8.434 -16.492 -1.754 163 HE2 LYS 26 1HE LYS 26 8.764 -17.756 -4.009 164 HE3 LYS 26 2HE LYS 26 9.720 -16.342 -4.449 165 HZ1 LYS 26 1HZ LYS 26 11.381 -17.410 -3.445 166 HZ2 LYS 26 2HZ LYS 26 10.352 -18.489 -2.647 167 HZ3 LYS 26 3HZ LYS 26 10.649 -16.961 -1.987 168 H PHE 27 H PHE 27 6.569 -12.104 -1.839 169 HA PHE 27 HA PHE 27 4.117 -11.372 -0.800 170 HB2 PHE 27 1HB PHE 27 6.078 -10.789 0.413 171 HB3 PHE 27 2HB PHE 27 6.726 -9.867 -0.940 172 HD1 PHE 27 1HD PHE 27 5.616 -7.714 -1.586 173 HD2 PHE 27 2HD PHE 27 4.684 -9.788 2.013 174 HE1 PHE 27 1HE PHE 27 4.622 -5.661 -0.665 175 HE2 PHE 27 2HE PHE 27 3.688 -7.738 2.939 176 HZ PHE 27 HZ PHE 27 3.655 -5.672 1.600 177 H GLU 28 H GLU 28 6.052 -9.465 -3.115 178 HA GLU 28 HA GLU 28 4.334 -7.417 -3.631 179 HB2 GLU 28 1HB GLU 28 6.421 -8.805 -5.182 180 HB3 GLU 28 2HB GLU 28 5.268 -7.894 -6.145 181 HG2 GLU 28 1HG GLU 28 5.745 -5.908 -4.731 182 HG3 GLU 28 2HG GLU 28 7.007 -6.842 -3.930 183 H SER 29 H SER 29 4.451 -10.372 -5.632 184 HA SER 29 HA SER 29 2.376 -10.049 -7.290 185 HB2 SER 29 1HB SER 29 3.734 -12.123 -7.125 186 HB3 SER 29 2HB SER 29 2.813 -12.587 -5.695 187 HG SER 29 HG SER 29 0.934 -12.581 -7.017 188 H LEU 30 H LEU 30 2.077 -10.890 -3.869 189 HA LEU 30 HA LEU 30 -0.598 -11.436 -3.658 190 HB2 LEU 30 1HB LEU 30 0.938 -9.718 -1.719 191 HB3 LEU 30 2HB LEU 30 -0.481 -10.705 -1.373 192 HG LEU 30 HG LEU 30 2.215 -11.797 -2.174 193 HD11 LEU 30 1HD1 LEU 30 2.196 -10.648 0.038 194 HD12 LEU 30 2HD1 LEU 30 2.543 -12.375 0.121 195 HD13 LEU 30 3HD1 LEU 30 0.942 -11.776 0.555 196 HD21 LEU 30 1HD2 LEU 30 0.333 -13.525 -0.775 197 HD22 LEU 30 2HD2 LEU 30 1.283 -13.824 -2.231 198 HD23 LEU 30 3HD2 LEU 30 -0.262 -12.980 -2.343 199 H PHE 31 H PHE 31 0.927 -8.227 -3.630 200 HA PHE 31 HA PHE 31 -1.690 -6.948 -3.689 201 HB2 PHE 31 1HB PHE 31 1.009 -5.598 -3.754 202 HB3 PHE 31 2HB PHE 31 -0.539 -4.887 -3.308 203 HD1 PHE 31 1HD PHE 31 2.032 -7.325 -2.257 204 HD2 PHE 31 2HD PHE 31 -1.327 -4.984 -1.099 205 HE1 PHE 31 1HE PHE 31 2.469 -7.873 0.102 206 HE2 PHE 31 2HE PHE 31 -0.896 -5.526 1.262 207 HZ PHE 31 HZ PHE 31 1.005 -6.972 1.865 208 H ARG 32 H ARG 32 1.275 -7.022 -5.652 209 HA ARG 32 HA ARG 32 0.552 -5.402 -7.737 210 HB2 ARG 32 1HB ARG 32 2.640 -7.090 -7.248 211 HB3 ARG 32 2HB ARG 32 1.850 -7.904 -8.591 212 HG2 ARG 32 1HG ARG 32 2.655 -5.007 -8.633 213 HG3 ARG 32 2HG ARG 32 3.661 -6.322 -9.241 214 HD2 ARG 32 1HD ARG 32 1.711 -6.956 -10.720 215 HD3 ARG 32 2HD ARG 32 0.972 -5.426 -10.249 216 HE ARG 32 HE ARG 32 2.373 -4.368 -11.702 217 HH11 ARG 32 2HH1 ARG 32 3.711 -7.491 -10.943 218 HH12 ARG 32 1HH1 ARG 32 5.012 -7.354 -12.078 219 HH21 ARG 32 2HH2 ARG 32 4.083 -4.175 -13.199 220 HH22 ARG 32 1HH2 ARG 32 5.224 -5.467 -13.360 221 H THR 33 H THR 33 -0.222 -8.846 -7.351 222 HA THR 33 HA THR 33 -1.423 -9.453 -9.709 223 HB THR 33 HB THR 33 -1.214 -11.014 -7.782 224 HG1 THR 33 1HG THR 33 -3.330 -12.017 -8.203 225 HG21 THR 33 1HG2 THR 33 -3.794 -10.513 -6.619 226 HG22 THR 33 2HG2 THR 33 -2.775 -9.081 -6.471 227 HG23 THR 33 3HG2 THR 33 -2.221 -10.628 -5.832 228 H TYR 34 H TYR 34 -2.589 -7.254 -7.293 229 HA TYR 34 HA TYR 34 -5.255 -7.111 -8.422 230 HB2 TYR 34 1HB TYR 34 -4.089 -5.240 -6.368 231 HB3 TYR 34 2HB TYR 34 -5.782 -5.637 -6.644 232 HD1 TYR 34 2HD TYR 34 -5.758 -8.556 -6.725 233 HD2 TYR 34 1HD TYR 34 -3.613 -5.894 -4.193 234 HE1 TYR 34 2HE TYR 34 -5.632 -10.306 -5.002 235 HE2 TYR 34 1HE TYR 34 -3.480 -7.637 -2.462 236 HH TYR 34 HH TYR 34 -5.362 -10.278 -2.366 237 H ASP 35 H ASP 35 -2.890 -4.548 -7.692 238 HA ASP 35 HA ASP 35 -3.747 -3.183 -10.152 239 HB2 ASP 35 1HB ASP 35 -3.455 -2.256 -7.503 240 HB3 ASP 35 2HB ASP 35 -2.148 -1.522 -8.429 241 H LYS 36 H LYS 36 -2.215 -2.302 -11.562 242 HA LYS 36 HA LYS 36 0.365 -3.666 -11.498 243 HB2 LYS 36 1HB LYS 36 -1.051 -2.099 -13.656 244 HB3 LYS 36 2HB LYS 36 0.567 -2.763 -13.841 245 HG2 LYS 36 1HG LYS 36 -0.842 -4.945 -13.009 246 HG3 LYS 36 2HG LYS 36 -2.036 -4.081 -13.981 247 HD2 LYS 36 1HD LYS 36 0.309 -3.944 -15.469 248 HD3 LYS 36 2HD LYS 36 0.294 -5.585 -14.817 249 HE2 LYS 36 1HE LYS 36 -1.532 -6.188 -16.016 250 HE3 LYS 36 2HE LYS 36 -2.258 -4.586 -15.920 251 HZ1 LYS 36 1HZ LYS 36 -0.811 -3.808 -17.632 252 HZ2 LYS 36 2HZ LYS 36 -1.542 -5.230 -18.182 253 HZ3 LYS 36 3HZ LYS 36 0.061 -5.257 -17.645 254 H ASP 37 H ASP 37 -1.011 -0.540 -11.036 255 HA ASP 37 HA ASP 37 1.599 0.769 -11.236 256 HB2 ASP 37 1HB ASP 37 -1.046 1.597 -11.792 257 HB3 ASP 37 2HB ASP 37 -0.505 2.545 -10.410 258 H THR 38 H THR 38 0.939 -1.121 -9.091 259 HA THR 38 HA THR 38 0.628 0.510 -6.713 260 HB THR 38 HB THR 38 1.281 -1.927 -5.733 261 HG1 THR 38 1HG THR 38 -0.199 -2.577 -8.053 262 HG21 THR 38 1HG2 THR 38 -1.434 -2.172 -6.382 263 HG22 THR 38 2HG2 THR 38 -1.131 -0.439 -6.256 264 HG23 THR 38 3HG2 THR 38 -0.745 -1.503 -4.904 265 H THR 39 H THR 39 2.259 1.436 -5.677 266 HA THR 39 HA THR 39 4.995 0.694 -6.348 267 HB THR 39 HB THR 39 5.649 2.710 -5.099 268 HG1 THR 39 1HG THR 39 2.958 2.606 -4.354 269 HG21 THR 39 1HG2 THR 39 3.402 3.673 -6.789 270 HG22 THR 39 2HG2 THR 39 4.620 2.649 -7.550 271 HG23 THR 39 3HG2 THR 39 5.096 4.161 -6.776 272 H PHE 40 H PHE 40 6.398 -0.283 -4.999 273 HA PHE 40 HA PHE 40 5.419 -0.961 -2.304 274 HB2 PHE 40 1HB PHE 40 7.312 -2.522 -4.074 275 HB3 PHE 40 2HB PHE 40 6.813 -2.988 -2.452 276 HD1 PHE 40 2HD PHE 40 5.520 -2.319 -5.863 277 HD2 PHE 40 1HD PHE 40 4.875 -4.238 -2.118 278 HE1 PHE 40 2HE PHE 40 3.582 -3.503 -6.807 279 HE2 PHE 40 1HE PHE 40 2.936 -5.426 -3.057 280 HZ PHE 40 HZ PHE 40 2.286 -5.058 -5.404 281 H GLN 41 H GLN 41 6.550 -0.235 -0.626 282 HA GLN 41 HA GLN 41 9.339 0.596 -1.071 283 HB2 GLN 41 1HB GLN 41 7.083 2.164 -0.183 284 HB3 GLN 41 2HB GLN 41 8.330 2.126 1.056 285 HG2 GLN 41 1HG GLN 41 9.975 2.881 -0.613 286 HG3 GLN 41 2HG GLN 41 8.680 2.987 -1.806 287 HE21 GLN 41 2HE2 GLN 41 8.786 5.156 -2.142 288 HE22 GLN 41 1HE2 GLN 41 8.392 6.334 -0.940 289 H TYR 42 H TYR 42 10.522 -0.908 -0.069 290 HA TYR 42 HA TYR 42 9.602 -2.070 2.438 291 HB2 TYR 42 1HB TYR 42 11.961 -2.692 0.655 292 HB3 TYR 42 2HB TYR 42 11.643 -3.519 2.177 293 HD1 TYR 42 1HD TYR 42 10.158 -2.804 -1.158 294 HD2 TYR 42 2HD TYR 42 10.199 -5.360 2.243 295 HE1 TYR 42 1HE TYR 42 8.683 -4.383 -2.334 296 HE2 TYR 42 2HE TYR 42 8.725 -6.946 1.077 297 HH TYR 42 HH TYR 42 7.154 -6.158 -1.884 298 H PHE 43 H PHE 43 10.376 -1.562 4.391 299 HA PHE 43 HA PHE 43 12.645 0.311 4.517 300 HB2 PHE 43 1HB PHE 43 10.463 -0.021 6.579 301 HB3 PHE 43 2HB PHE 43 11.687 1.243 6.516 302 HD1 PHE 43 2HD PHE 43 11.558 1.917 3.617 303 HD2 PHE 43 1HD PHE 43 8.476 1.193 6.463 304 HE1 PHE 43 2HE PHE 43 10.027 3.333 2.314 305 HE2 PHE 43 1HE PHE 43 6.939 2.606 5.162 306 HZ PHE 43 HZ PHE 43 7.713 3.680 3.085 307 H LYS 44 H LYS 44 14.340 -1.072 4.794 308 HA LYS 44 HA LYS 44 14.285 -3.354 6.474 309 HB2 LYS 44 1HB LYS 44 16.108 -2.142 4.659 310 HB3 LYS 44 2HB LYS 44 16.955 -2.379 6.182 311 HG2 LYS 44 1HG LYS 44 15.465 -4.525 4.685 312 HG3 LYS 44 2HG LYS 44 17.211 -4.272 4.634 313 HD2 LYS 44 1HD LYS 44 17.530 -5.178 6.679 314 HD3 LYS 44 2HD LYS 44 16.038 -4.495 7.328 315 HE2 LYS 44 1HE LYS 44 14.965 -6.418 7.026 316 HE3 LYS 44 2HE LYS 44 15.434 -6.463 5.328 317 HZ1 LYS 44 1HZ LYS 44 16.965 -7.514 7.640 318 HZ2 LYS 44 2HZ LYS 44 17.604 -7.384 6.079 319 HZ3 LYS 44 3HZ LYS 44 16.284 -8.401 6.371 320 H SER 45 H SER 45 14.290 -0.113 7.226 321 HA SER 45 HA SER 45 15.911 -0.344 9.629 322 HB2 SER 45 1HB SER 45 14.342 1.967 8.465 323 HB3 SER 45 2HB SER 45 15.286 2.062 9.951 324 HG SER 45 HG SER 45 16.127 2.313 7.436 325 H PHE 46 H PHE 46 12.522 0.062 8.716 326 HA PHE 46 HA PHE 46 11.770 -0.404 11.525 327 HB2 PHE 46 1HB PHE 46 10.232 0.969 9.313 328 HB3 PHE 46 2HB PHE 46 9.585 0.633 10.915 329 HD1 PHE 46 1HD PHE 46 11.021 1.558 12.907 330 HD2 PHE 46 2HD PHE 46 11.196 3.016 8.912 331 HE1 PHE 46 1HE PHE 46 11.943 3.687 13.728 332 HE2 PHE 46 2HE PHE 46 12.120 5.147 9.726 333 HZ PHE 46 HZ PHE 46 12.495 5.484 12.137 334 H LYS 47 H LYS 47 12.410 -2.311 9.241 335 HA LYS 47 HA LYS 47 11.501 -4.149 8.180 336 HB2 LYS 47 1HB LYS 47 10.680 -4.375 11.070 337 HB3 LYS 47 2HB LYS 47 10.402 -5.674 9.919 338 HG2 LYS 47 1HG LYS 47 13.144 -4.558 10.116 339 HG3 LYS 47 2HG LYS 47 12.562 -5.583 11.430 340 HD2 LYS 47 1HD LYS 47 11.802 -7.027 9.258 341 HD3 LYS 47 2HD LYS 47 13.285 -6.274 8.665 342 HE2 LYS 47 1HE LYS 47 14.249 -8.065 9.644 343 HE3 LYS 47 2HE LYS 47 14.115 -7.068 11.092 344 HZ1 LYS 47 1HZ LYS 47 12.384 -8.300 11.894 345 HZ2 LYS 47 2HZ LYS 47 13.243 -9.507 11.078 346 HZ3 LYS 47 3HZ LYS 47 11.873 -8.815 10.365 347 H ARG 48 H ARG 48 9.838 -1.829 7.864 348 HA ARG 48 HA ARG 48 7.149 -3.026 7.922 349 HB2 ARG 48 1HB ARG 48 8.157 -0.283 8.317 350 HB3 ARG 48 2HB ARG 48 6.713 -0.408 7.322 351 HG2 ARG 48 1HG ARG 48 5.701 -1.782 9.181 352 HG3 ARG 48 2HG ARG 48 7.081 -1.295 10.166 353 HD2 ARG 48 1HD ARG 48 5.251 0.651 8.776 354 HD3 ARG 48 2HD ARG 48 5.020 0.112 10.439 355 HE ARG 48 HE ARG 48 7.560 1.012 10.454 356 HH11 ARG 48 2HH1 ARG 48 4.564 2.400 9.350 357 HH12 ARG 48 1HH1 ARG 48 5.049 4.031 9.675 358 HH21 ARG 48 2HH2 ARG 48 8.210 3.155 10.887 359 HH22 ARG 48 1HH2 ARG 48 7.123 4.460 10.548 360 H VAL 49 H VAL 49 5.718 -2.301 6.081 361 HA VAL 49 HA VAL 49 7.218 -1.990 3.574 362 HB VAL 49 HB VAL 49 4.920 -3.921 3.875 363 HG11 VAL 49 1HG1 VAL 49 6.710 -4.391 1.676 364 HG12 VAL 49 2HG1 VAL 49 4.971 -4.087 1.659 365 HG13 VAL 49 3HG1 VAL 49 6.106 -2.736 1.633 366 HG21 VAL 49 1HG2 VAL 49 7.864 -4.559 3.730 367 HG22 VAL 49 2HG2 VAL 49 6.876 -4.660 5.187 368 HG23 VAL 49 3HG2 VAL 49 6.539 -5.719 3.817 369 H ARG 50 H ARG 50 6.540 -0.131 2.737 370 HA ARG 50 HA ARG 50 3.760 0.700 3.126 371 HB2 ARG 50 1HB ARG 50 6.037 2.128 3.398 372 HB3 ARG 50 2HB ARG 50 5.657 2.482 1.717 373 HG2 ARG 50 1HG ARG 50 3.241 2.835 2.970 374 HG3 ARG 50 2HG ARG 50 4.397 3.433 4.160 375 HD2 ARG 50 1HD ARG 50 5.283 4.446 1.720 376 HD3 ARG 50 2HD ARG 50 3.530 4.618 1.673 377 HE ARG 50 HE ARG 50 5.331 6.164 3.208 378 HH11 ARG 50 2HH1 ARG 50 2.188 4.674 3.359 379 HH12 ARG 50 1HH1 ARG 50 1.559 5.814 4.502 380 HH21 ARG 50 2HH2 ARG 50 4.514 7.671 4.712 381 HH22 ARG 50 1HH2 ARG 50 2.883 7.519 5.271 382 H ILE 51 H ILE 51 2.375 0.090 1.606 383 HA ILE 51 HA ILE 51 3.304 -0.014 -1.188 384 HB ILE 51 HB ILE 51 0.935 -1.469 -0.014 385 HG12 ILE 51 1HG1 ILE 51 2.973 -3.256 -0.862 386 HG13 ILE 51 2HG1 ILE 51 3.731 -2.056 0.179 387 HG21 ILE 51 1HG2 ILE 51 2.307 -2.114 -2.593 388 HG22 ILE 51 2HG2 ILE 51 0.670 -2.505 -2.071 389 HG23 ILE 51 3HG2 ILE 51 1.080 -0.850 -2.519 390 HD11 ILE 51 1HD1 ILE 51 2.965 -3.118 1.954 391 HD12 ILE 51 2HD1 ILE 51 1.308 -2.872 1.400 392 HD13 ILE 51 3HD1 ILE 51 2.197 -4.314 0.909 393 H ASN 52 H ASN 52 2.490 1.432 -2.548 394 HA ASN 52 HA ASN 52 0.077 2.907 -1.742 395 HB2 ASN 52 1HB ASN 52 2.582 3.821 -2.585 396 HB3 ASN 52 2HB ASN 52 1.522 4.072 -3.970 397 HD21 ASN 52 2HD2 ASN 52 2.823 5.871 -1.914 398 HD22 ASN 52 1HD2 ASN 52 1.531 6.876 -1.361 399 H PHE 53 H PHE 53 -1.707 2.893 -2.986 400 HA PHE 53 HA PHE 53 -1.584 1.353 -5.491 401 HB2 PHE 53 1HB PHE 53 -3.955 1.830 -3.674 402 HB3 PHE 53 2HB PHE 53 -3.961 0.854 -5.140 403 HD1 PHE 53 1HD PHE 53 -1.967 1.114 -1.992 404 HD2 PHE 53 2HD PHE 53 -3.871 -1.411 -4.841 405 HE1 PHE 53 1HE PHE 53 -1.315 -0.859 -0.674 406 HE2 PHE 53 2HE PHE 53 -3.222 -3.388 -3.527 407 HZ PHE 53 HZ PHE 53 -1.944 -3.113 -1.441 408 H SER 54 H SER 54 -3.673 1.983 -6.879 409 HA SER 54 HA SER 54 -3.402 4.864 -7.360 410 HB2 SER 54 1HB SER 54 -2.837 3.602 -9.302 411 HB3 SER 54 2HB SER 54 -4.263 2.579 -9.136 412 HG SER 54 HG SER 54 -4.123 5.289 -9.924 413 H ASN 55 H ASN 55 -5.605 2.498 -6.257 414 HA ASN 55 HA ASN 55 -7.711 4.528 -6.117 415 HB2 ASN 55 1HB ASN 55 -9.404 2.760 -6.709 416 HB3 ASN 55 2HB ASN 55 -8.363 3.255 -8.040 417 HD21 ASN 55 2HD2 ASN 55 -7.448 1.704 -9.174 418 HD22 ASN 55 1HD2 ASN 55 -7.235 0.066 -8.667 419 HA PRO 56 HA PRO 56 -8.023 3.131 -1.955 420 HB2 PRO 56 1HB PRO 56 -10.522 4.024 -1.385 421 HB3 PRO 56 2HB PRO 56 -9.129 5.101 -1.535 422 HG2 PRO 56 1HG PRO 56 -11.267 4.479 -3.537 423 HG3 PRO 56 2HG PRO 56 -10.543 6.044 -3.123 424 HD2 PRO 56 1HD PRO 56 -9.815 4.638 -5.319 425 HD3 PRO 56 2HD PRO 56 -8.678 5.668 -4.425 426 H LEU 57 H LEU 57 -9.618 1.740 -4.490 427 HA LEU 57 HA LEU 57 -11.474 0.112 -2.992 428 HB2 LEU 57 1HB LEU 57 -10.597 0.167 -5.864 429 HB3 LEU 57 2HB LEU 57 -11.660 -1.090 -5.234 430 HG LEU 57 HG LEU 57 -12.466 1.737 -4.807 431 HD11 LEU 57 1HD1 LEU 57 -12.797 2.283 -6.941 432 HD12 LEU 57 2HD1 LEU 57 -13.424 0.685 -7.340 433 HD13 LEU 57 3HD1 LEU 57 -11.684 0.973 -7.336 434 HD21 LEU 57 1HD2 LEU 57 -13.992 0.260 -3.908 435 HD22 LEU 57 2HD2 LEU 57 -13.766 -0.925 -5.194 436 HD23 LEU 57 3HD2 LEU 57 -14.677 0.553 -5.506 437 H SER 58 H SER 58 -8.793 -0.787 -5.167 438 HA SER 58 HA SER 58 -8.478 -3.393 -4.416 439 HB2 SER 58 1HB SER 58 -7.055 -1.616 -5.990 440 HB3 SER 58 2HB SER 58 -5.888 -2.078 -4.751 441 HG SER 58 HG SER 58 -6.587 -4.312 -5.278 442 H ALA 59 H ALA 59 -6.975 -0.565 -2.881 443 HA ALA 59 HA ALA 59 -5.314 -1.620 -1.046 444 HB1 ALA 59 1HB ALA 59 -5.914 0.794 -1.290 445 HB2 ALA 59 2HB ALA 59 -7.349 0.478 -0.313 446 HB3 ALA 59 3HB ALA 59 -5.743 0.247 0.379 447 H ALA 60 H ALA 60 -8.794 -1.906 -1.041 448 HA ALA 60 HA ALA 60 -8.905 -3.013 1.627 449 HB1 ALA 60 1HB ALA 60 -10.949 -2.156 1.402 450 HB2 ALA 60 2HB ALA 60 -10.812 -2.081 -0.355 451 HB3 ALA 60 3HB ALA 60 -11.324 -3.577 0.427 452 H ASP 61 H ASP 61 -9.903 -4.301 -1.550 453 HA ASP 61 HA ASP 61 -10.256 -6.920 -0.921 454 HB2 ASP 61 1HB ASP 61 -9.764 -5.430 -3.319 455 HB3 ASP 61 2HB ASP 61 -8.854 -6.937 -3.386 456 H ALA 62 H ALA 62 -7.275 -5.194 -0.952 457 HA ALA 62 HA ALA 62 -5.571 -7.499 -1.122 458 HB1 ALA 62 1HB ALA 62 -5.031 -4.636 -0.359 459 HB2 ALA 62 2HB ALA 62 -3.784 -5.880 -0.456 460 HB3 ALA 62 3HB ALA 62 -4.690 -5.425 -1.900 461 H ARG 63 H ARG 63 -6.545 -5.293 1.497 462 HA ARG 63 HA ARG 63 -5.131 -6.473 3.574 463 HB2 ARG 63 1HB ARG 63 -6.302 -4.325 3.780 464 HB3 ARG 63 2HB ARG 63 -7.850 -5.155 3.689 465 HG2 ARG 63 1HG ARG 63 -7.170 -6.409 5.765 466 HG3 ARG 63 2HG ARG 63 -5.810 -5.292 5.889 467 HD2 ARG 63 1HD ARG 63 -7.273 -4.115 7.149 468 HD3 ARG 63 2HD ARG 63 -7.805 -3.531 5.573 469 HE ARG 63 HE ARG 63 -9.303 -5.768 6.011 470 HH11 ARG 63 2HH1 ARG 63 -8.735 -2.806 7.749 471 HH12 ARG 63 1HH1 ARG 63 -10.303 -2.783 8.485 472 HH21 ARG 63 2HH2 ARG 63 -11.371 -5.750 6.975 473 HH22 ARG 63 1HH2 ARG 63 -11.802 -4.459 8.044 474 H LEU 64 H LEU 64 -8.511 -7.094 2.618 475 HA LEU 64 HA LEU 64 -9.028 -9.135 4.444 476 HB2 LEU 64 1HB LEU 64 -11.012 -9.303 3.413 477 HB3 LEU 64 2HB LEU 64 -10.478 -7.846 2.577 478 HG LEU 64 HG LEU 64 -9.550 -9.518 0.812 479 HD11 LEU 64 1HD1 LEU 64 -10.214 -11.661 0.848 480 HD12 LEU 64 2HD1 LEU 64 -11.805 -11.268 1.500 481 HD13 LEU 64 3HD1 LEU 64 -10.415 -11.379 2.578 482 HD21 LEU 64 1HD2 LEU 64 -11.952 -8.092 1.118 483 HD22 LEU 64 2HD2 LEU 64 -12.388 -9.665 0.450 484 HD23 LEU 64 3HD2 LEU 64 -11.208 -8.650 -0.381 485 H ARG 65 H ARG 65 -7.570 -9.250 1.235 486 HA ARG 65 HA ARG 65 -7.443 -12.114 1.159 487 HB2 ARG 65 1HB ARG 65 -6.474 -9.878 -0.559 488 HB3 ARG 65 2HB ARG 65 -5.703 -11.449 -0.737 489 HG2 ARG 65 1HG ARG 65 -8.423 -12.006 -0.735 490 HG3 ARG 65 2HG ARG 65 -8.263 -10.534 -1.696 491 HD2 ARG 65 1HD ARG 65 -6.675 -11.580 -3.151 492 HD3 ARG 65 2HD ARG 65 -6.587 -13.003 -2.113 493 HE ARG 65 HE ARG 65 -9.202 -12.893 -2.807 494 HH11 ARG 65 2HH1 ARG 65 -6.231 -12.858 -4.620 495 HH12 ARG 65 1HH1 ARG 65 -6.916 -13.632 -6.009 496 HH21 ARG 65 2HH2 ARG 65 -10.118 -13.915 -4.630 497 HH22 ARG 65 1HH2 ARG 65 -9.128 -14.233 -6.014 498 H LEU 66 H LEU 66 -5.595 -9.667 2.625 499 HA LEU 66 HA LEU 66 -3.406 -11.579 3.104 500 HB2 LEU 66 1HB LEU 66 -3.067 -8.595 3.102 501 HB3 LEU 66 2HB LEU 66 -1.815 -9.835 3.093 502 HG LEU 66 HG LEU 66 -3.686 -9.580 0.772 503 HD11 LEU 66 1HD1 LEU 66 -2.873 -7.631 0.099 504 HD12 LEU 66 2HD1 LEU 66 -1.217 -8.195 0.311 505 HD13 LEU 66 3HD1 LEU 66 -2.079 -7.466 1.665 506 HD21 LEU 66 1HD2 LEU 66 -1.806 -11.399 1.314 507 HD22 LEU 66 2HD2 LEU 66 -0.798 -10.181 0.531 508 HD23 LEU 66 3HD2 LEU 66 -2.178 -10.868 -0.326 509 H HIS 67 H HIS 67 -2.196 -9.534 4.916 510 HA HIS 67 HA HIS 67 -2.389 -8.720 7.064 511 HB2 HIS 67 1HB HIS 67 -4.942 -8.565 6.386 512 HB3 HIS 67 2HB HIS 67 -5.081 -9.949 7.466 513 HD1 HIS 67 1HD HIS 67 -2.479 -7.994 8.852 514 HD2 HIS 67 2HD HIS 67 -6.621 -7.663 8.770 515 HE1 HIS 67 1HE HIS 67 -3.068 -6.453 10.751 516 H LYS 68 H LYS 68 -4.017 -10.292 9.062 517 HA LYS 68 HA LYS 68 -2.199 -11.823 10.273 518 HB2 LYS 68 1HB LYS 68 -5.136 -12.429 9.942 519 HB3 LYS 68 2HB LYS 68 -4.095 -13.329 11.037 520 HG2 LYS 68 1HG LYS 68 -4.189 -11.740 12.588 521 HG3 LYS 68 2HG LYS 68 -3.863 -10.462 11.414 522 HD2 LYS 68 1HD LYS 68 -6.009 -10.011 12.306 523 HD3 LYS 68 2HD LYS 68 -6.277 -10.681 10.695 524 HE2 LYS 68 1HE LYS 68 -7.693 -12.092 11.692 525 HE3 LYS 68 2HE LYS 68 -6.255 -12.917 12.292 526 HZ1 LYS 68 1HZ LYS 68 -7.539 -10.685 13.756 527 HZ2 LYS 68 2HZ LYS 68 -6.396 -11.788 14.335 528 HZ3 LYS 68 3HZ LYS 68 -7.972 -12.302 14.001 529 H THR 69 H THR 69 -3.909 -12.706 7.357 530 HA THR 69 HA THR 69 -3.722 -15.337 7.035 531 HB THR 69 HB THR 69 -3.113 -15.039 4.670 532 HG1 THR 69 1HG THR 69 -1.559 -13.448 4.744 533 HG21 THR 69 1HG2 THR 69 -5.260 -14.479 4.456 534 HG22 THR 69 2HG2 THR 69 -4.797 -12.785 4.618 535 HG23 THR 69 3HG2 THR 69 -5.257 -13.713 6.044 536 H GLU 70 H GLU 70 -2.260 -16.912 7.189 537 HA GLU 70 HA GLU 70 0.396 -16.387 8.014 538 HB2 GLU 70 1HB GLU 70 -1.294 -18.721 7.593 539 HB3 GLU 70 2HB GLU 70 0.374 -19.018 7.127 540 HG2 GLU 70 1HG GLU 70 1.167 -18.484 9.299 541 HG3 GLU 70 2HG GLU 70 -0.409 -17.863 9.787 542 H PHE 71 H PHE 71 1.509 -15.184 6.515 543 HA PHE 71 HA PHE 71 1.669 -16.061 3.759 544 HB2 PHE 71 1HB PHE 71 1.644 -13.724 3.939 545 HB3 PHE 71 2HB PHE 71 2.770 -13.724 5.293 546 HD1 PHE 71 2HD PHE 71 5.154 -13.931 4.932 547 HD2 PHE 71 1HD PHE 71 2.425 -13.905 1.665 548 HE1 PHE 71 2HE PHE 71 7.021 -13.527 3.380 549 HE2 PHE 71 1HE PHE 71 4.289 -13.502 0.108 550 HZ PHE 71 HZ PHE 71 6.589 -13.311 0.965 551 H LEU 72 H LEU 72 2.944 -17.714 3.262 552 HA LEU 72 HA LEU 72 4.728 -19.121 3.163 553 HB2 LEU 72 1HB LEU 72 5.840 -16.445 3.548 554 HB3 LEU 72 2HB LEU 72 6.920 -17.741 4.058 555 HG LEU 72 HG LEU 72 6.283 -18.685 1.651 556 HD11 LEU 72 1HD1 LEU 72 5.621 -17.182 0.100 557 HD12 LEU 72 2HD1 LEU 72 6.427 -15.833 0.899 558 HD13 LEU 72 3HD1 LEU 72 4.875 -16.415 1.502 559 HD21 LEU 72 1HD2 LEU 72 8.261 -16.558 1.392 560 HD22 LEU 72 2HD2 LEU 72 8.445 -18.305 1.233 561 HD23 LEU 72 3HD2 LEU 72 8.488 -17.555 2.829 562 H GLY 73 H GLY 73 3.196 -18.805 5.696 563 HA2 GLY 73 1HA GLY 73 3.308 -20.156 7.610 564 HA3 GLY 73 2HA GLY 73 5.039 -20.327 7.362 565 H LYS 74 H LYS 74 4.219 -17.116 7.056 566 HA LYS 74 HA LYS 74 4.719 -16.591 9.911 567 HB2 LYS 74 1HB LYS 74 6.003 -15.335 7.495 568 HB3 LYS 74 2HB LYS 74 5.971 -14.515 9.051 569 HG2 LYS 74 1HG LYS 74 6.932 -17.282 9.154 570 HG3 LYS 74 2HG LYS 74 7.940 -16.180 8.212 571 HD2 LYS 74 1HD LYS 74 8.688 -15.145 10.046 572 HD3 LYS 74 2HD LYS 74 7.065 -15.011 10.727 573 HE2 LYS 74 1HE LYS 74 8.117 -17.734 10.750 574 HE3 LYS 74 2HE LYS 74 9.090 -16.602 11.688 575 HZ1 LYS 74 1HZ LYS 74 7.558 -16.551 13.271 576 HZ2 LYS 74 2HZ LYS 74 6.771 -17.828 12.491 577 HZ3 LYS 74 3HZ LYS 74 6.312 -16.231 12.172 578 H GLU 75 H GLU 75 3.006 -15.617 10.756 579 HA GLU 75 HA GLU 75 0.926 -14.447 9.293 580 HB2 GLU 75 1HB GLU 75 0.496 -15.231 11.510 581 HB3 GLU 75 2HB GLU 75 1.726 -14.174 12.189 582 HG2 GLU 75 1HG GLU 75 0.289 -12.249 11.301 583 HG3 GLU 75 2HG GLU 75 -0.981 -13.460 11.128 584 H MET 76 H MET 76 0.756 -12.550 8.308 585 HA MET 76 HA MET 76 2.687 -10.439 8.997 586 HB2 MET 76 1HB MET 76 3.081 -10.788 6.767 587 HB3 MET 76 2HB MET 76 1.433 -11.312 6.446 588 HG2 MET 76 1HG MET 76 0.643 -9.056 6.462 589 HG3 MET 76 2HG MET 76 2.212 -8.463 7.001 590 HE1 MET 76 1HE MET 76 0.130 -8.660 3.612 591 HE2 MET 76 2HE MET 76 1.005 -10.018 2.903 592 HE3 MET 76 3HE MET 76 0.180 -10.212 4.450 593 H LYS 77 H LYS 77 1.994 -8.313 9.265 594 HA LYS 77 HA LYS 77 -0.870 -8.043 9.866 595 HB2 LYS 77 1HB LYS 77 1.606 -6.880 11.026 596 HB3 LYS 77 2HB LYS 77 0.179 -5.853 11.002 597 HG2 LYS 77 1HG LYS 77 0.182 -8.628 12.156 598 HG3 LYS 77 2HG LYS 77 0.542 -7.182 13.102 599 HD2 LYS 77 1HD LYS 77 -1.700 -6.292 12.217 600 HD3 LYS 77 2HD LYS 77 -2.029 -7.965 11.762 601 HE2 LYS 77 1HE LYS 77 -1.635 -8.643 14.104 602 HE3 LYS 77 2HE LYS 77 -1.399 -6.949 14.533 603 HZ1 LYS 77 1HZ LYS 77 -3.838 -7.316 13.124 604 HZ2 LYS 77 2HZ LYS 77 -3.580 -6.653 14.659 605 HZ3 LYS 77 3HZ LYS 77 -3.781 -8.323 14.481 606 H LEU 78 H LEU 78 -1.758 -5.793 9.542 607 HA LEU 78 HA LEU 78 -0.538 -4.255 7.411 608 HB2 LEU 78 1HB LEU 78 -2.859 -6.035 7.018 609 HB3 LEU 78 2HB LEU 78 -3.002 -4.415 6.338 610 HG LEU 78 HG LEU 78 -0.485 -5.752 5.676 611 HD11 LEU 78 1HD1 LEU 78 -2.977 -7.208 5.402 612 HD12 LEU 78 2HD1 LEU 78 -1.318 -7.748 5.156 613 HD13 LEU 78 3HD1 LEU 78 -2.183 -6.940 3.849 614 HD21 LEU 78 1HD2 LEU 78 -0.909 -3.802 4.500 615 HD22 LEU 78 2HD2 LEU 78 -2.620 -4.176 4.291 616 HD23 LEU 78 3HD2 LEU 78 -1.405 -5.051 3.358 617 H TYR 79 H TYR 79 -1.091 -2.141 7.492 618 HA TYR 79 HA TYR 79 -3.385 -1.365 9.154 619 HB2 TYR 79 1HB TYR 79 -0.567 -0.300 9.370 620 HB3 TYR 79 2HB TYR 79 -1.964 0.507 10.075 621 HD1 TYR 79 1HD TYR 79 0.037 -2.611 10.169 622 HD2 TYR 79 2HD TYR 79 -2.853 -0.195 12.148 623 HE1 TYR 79 1HE TYR 79 0.256 -4.008 12.182 624 HE2 TYR 79 2HE TYR 79 -2.640 -1.585 14.166 625 HH TYR 79 HH TYR 79 -1.176 -4.584 14.187 626 H PHE 80 H PHE 80 -4.540 0.341 8.415 627 HA PHE 80 HA PHE 80 -4.189 1.166 5.730 628 HB2 PHE 80 1HB PHE 80 -6.088 1.748 7.923 629 HB3 PHE 80 2HB PHE 80 -5.943 2.990 6.684 630 HD1 PHE 80 2HD PHE 80 -5.737 1.726 4.206 631 HD2 PHE 80 1HD PHE 80 -7.922 0.421 7.616 632 HE1 PHE 80 2HE PHE 80 -7.247 0.447 2.744 633 HE2 PHE 80 1HE PHE 80 -9.434 -0.862 6.160 634 HZ PHE 80 HZ PHE 80 -9.099 -0.849 3.721 635 H ALA 81 H ALA 81 -2.594 2.452 5.088 636 HA ALA 81 HA ALA 81 -1.016 4.107 6.622 637 HB1 ALA 81 1HB ALA 81 -1.329 3.542 3.864 638 HB2 ALA 81 2HB ALA 81 -1.247 5.295 4.050 639 HB3 ALA 81 3HB ALA 81 0.048 4.280 4.685 640 H GLN 82 H GLN 82 -3.745 5.147 4.568 641 HA GLN 82 HA GLN 82 -4.834 7.177 4.496 642 HB2 GLN 82 1HB GLN 82 -6.157 7.553 6.480 643 HB3 GLN 82 2HB GLN 82 -6.025 5.821 6.199 644 HG2 GLN 82 1HG GLN 82 -4.345 5.633 7.923 645 HG3 GLN 82 2HG GLN 82 -4.361 7.380 8.164 646 HE21 GLN 82 2HE2 GLN 82 -6.393 4.499 8.320 647 HE22 GLN 82 1HE2 GLN 82 -7.412 5.068 9.593 648 H THR 83 H THR 83 -2.047 7.574 4.675 649 HA THR 83 HA THR 83 -2.004 10.133 6.117 650 HB THR 83 HB THR 83 0.470 9.644 6.591 651 HG1 THR 83 1HG THR 83 0.786 7.776 5.424 652 HG21 THR 83 1HG2 THR 83 -1.825 8.321 8.005 653 HG22 THR 83 2HG2 THR 83 -0.936 9.775 8.458 654 HG23 THR 83 3HG2 THR 83 -0.175 8.192 8.614 655 H LEU 84 H LEU 84 -2.290 11.227 4.161 656 HA LEU 84 HA LEU 84 -0.074 12.135 2.834 657 HB2 LEU 84 1HB LEU 84 -0.824 9.519 1.932 658 HB3 LEU 84 2HB LEU 84 -1.042 10.681 0.625 659 HG LEU 84 HG LEU 84 1.536 10.777 2.082 660 HD11 LEU 84 1HD1 LEU 84 2.466 8.925 0.836 661 HD12 LEU 84 2HD1 LEU 84 0.896 8.589 0.110 662 HD13 LEU 84 3HD1 LEU 84 1.132 8.361 1.842 663 HD21 LEU 84 1HD2 LEU 84 1.989 12.061 0.333 664 HD22 LEU 84 2HD2 LEU 84 0.406 11.713 -0.361 665 HD23 LEU 84 3HD2 LEU 84 1.780 10.670 -0.731 666 H HIS 85 H HIS 85 -1.131 14.060 2.795 667 HA HIS 85 HA HIS 85 -2.347 15.717 1.780 668 HB2 HIS 85 1HB HIS 85 -2.412 13.708 -0.137 669 HB3 HIS 85 2HB HIS 85 -4.111 14.088 0.129 670 HD1 HIS 85 1HD HIS 85 -1.122 15.270 -1.595 671 HD2 HIS 85 2HD HIS 85 -4.729 16.899 -0.334 672 HE1 HIS 85 1HE HIS 85 -1.364 17.428 -2.863 673 H ILE 86 H ILE 86 -4.164 12.744 2.452 674 HA ILE 86 HA ILE 86 -6.179 12.379 3.457 675 HB ILE 86 HB ILE 86 -5.497 14.822 5.090 676 HG12 ILE 86 1HG1 ILE 86 -4.732 12.380 6.367 677 HG13 ILE 86 2HG1 ILE 86 -3.988 12.434 4.773 678 HG21 ILE 86 1HG2 ILE 86 -7.764 13.445 5.177 679 HG22 ILE 86 2HG2 ILE 86 -6.791 12.400 6.211 680 HG23 ILE 86 3HG2 ILE 86 -7.009 14.099 6.630 681 HD11 ILE 86 1HD1 ILE 86 -3.823 14.760 6.647 682 HD12 ILE 86 2HD1 ILE 86 -2.692 13.410 6.739 683 HD13 ILE 86 3HD1 ILE 86 -2.799 14.372 5.265 684 H GLY 87 H GLY 87 -7.735 12.757 1.945 685 HA2 GLY 87 1HA GLY 87 -8.499 15.279 0.964 686 HA3 GLY 87 2HA GLY 87 -9.472 13.817 0.885 687 H SER 88 H SER 88 -10.269 13.209 3.271 688 HA SER 88 HA SER 88 -12.084 15.295 3.969 689 HB2 SER 88 1HB SER 88 -11.874 12.498 4.419 690 HB3 SER 88 2HB SER 88 -12.005 13.276 5.996 691 HG SER 88 HG SER 88 -14.047 12.768 4.987 692 H SER 89 H SER 89 -11.855 16.872 5.408 693 HA SER 89 HA SER 89 -10.490 16.625 7.867 694 HB2 SER 89 1HB SER 89 -8.443 16.693 6.624 695 HB3 SER 89 2HB SER 89 -9.012 18.045 5.644 696 HG SER 89 HG SER 89 -7.751 18.968 7.164 697 H HIS 90 H HIS 90 -11.071 18.238 9.234 698 HA HIS 90 HA HIS 90 -13.151 19.988 8.479 699 HB2 HIS 90 1HB HIS 90 -13.137 20.750 10.725 700 HB3 HIS 90 2HB HIS 90 -12.684 19.050 10.797 701 HD1 HIS 90 1HD HIS 90 -10.811 18.635 12.340 702 HD2 HIS 90 2HD HIS 90 -10.584 22.418 10.637 703 HE1 HIS 90 1HE HIS 90 -8.771 19.706 13.349 704 H LEU 91 H LEU 91 -13.165 22.316 8.545 705 HA LEU 91 HA LEU 91 -10.610 23.681 8.295 706 HB2 LEU 91 1HB LEU 91 -11.594 22.747 6.017 707 HB3 LEU 91 2HB LEU 91 -12.567 24.213 6.121 708 HG LEU 91 HG LEU 91 -9.599 24.411 6.390 709 HD11 LEU 91 1HD1 LEU 91 -10.533 23.034 4.287 710 HD12 LEU 91 2HD1 LEU 91 -9.135 24.107 4.201 711 HD13 LEU 91 3HD1 LEU 91 -10.718 24.678 3.672 712 HD21 LEU 91 1HD2 LEU 91 -11.603 26.222 5.058 713 HD22 LEU 91 2HD2 LEU 91 -9.943 26.599 5.519 714 HD23 LEU 91 3HD2 LEU 91 -11.166 26.335 6.762 715 H ALA 92 H ALA 92 -14.087 24.199 7.664 716 HA ALA 92 HA ALA 92 -13.929 26.603 9.365 717 HB1 ALA 92 1HB ALA 92 -16.021 27.262 7.944 718 HB2 ALA 92 2HB ALA 92 -14.396 27.505 7.302 719 HB3 ALA 92 3HB ALA 92 -15.349 26.113 6.787 720 HA PRO 93 HA PRO 93 -17.015 24.912 11.991 721 HB2 PRO 93 1HB PRO 93 -18.351 27.151 12.747 722 HB3 PRO 93 2HB PRO 93 -16.726 26.761 13.323 723 HG2 PRO 93 1HG PRO 93 -17.565 28.629 11.139 724 HG3 PRO 93 2HG PRO 93 -16.336 28.858 12.396 725 HD2 PRO 93 1HD PRO 93 -15.709 28.159 9.856 726 HD3 PRO 93 2HD PRO 93 -14.759 27.622 11.257 727 HA PRO 94 HA PRO 94 -20.796 24.270 9.837 728 HB2 PRO 94 1HB PRO 94 -22.531 23.878 11.889 729 HB3 PRO 94 2HB PRO 94 -21.305 22.691 11.428 730 HG2 PRO 94 1HG PRO 94 -21.251 24.711 13.637 731 HG3 PRO 94 2HG PRO 94 -20.739 23.012 13.660 732 HD2 PRO 94 1HD PRO 94 -18.983 25.060 13.427 733 HD3 PRO 94 2HD PRO 94 -18.713 23.479 12.666 734 H ASN 95 H ASN 95 -23.237 24.947 9.990 735 HA ASN 95 HA ASN 95 -23.422 27.787 10.733 736 HB2 ASN 95 1HB ASN 95 -23.570 26.625 8.079 737 HB3 ASN 95 2HB ASN 95 -25.053 27.484 8.482 738 HD21 ASN 95 2HD2 ASN 95 -21.666 28.084 9.330 739 HD22 ASN 95 1HD2 ASN 95 -21.605 29.680 8.668 740 HA PRO 96 HA PRO 96 -27.359 26.941 12.474 741 HB2 PRO 96 1HB PRO 96 -28.896 29.015 11.635 742 HB3 PRO 96 2HB PRO 96 -27.613 29.196 12.836 743 HG2 PRO 96 1HG PRO 96 -27.564 29.805 9.905 744 HG3 PRO 96 2HG PRO 96 -26.911 30.751 11.256 745 HD2 PRO 96 1HD PRO 96 -25.356 29.183 9.689 746 HD3 PRO 96 2HD PRO 96 -25.011 29.455 11.409 747 H ASP 97 H ASP 97 -29.694 26.576 12.021 748 HA ASP 97 HA ASP 97 -30.072 25.582 9.273 749 HB2 ASP 97 1HB ASP 97 -31.764 24.020 10.364 750 HB3 ASP 97 2HB ASP 97 -30.068 23.703 10.714 751 H LYS 98 H LYS 98 -32.542 25.304 8.813 752 HA LYS 98 HA LYS 98 -33.863 27.825 9.580 753 HB2 LYS 98 1HB LYS 98 -33.121 27.105 7.065 754 HB3 LYS 98 2HB LYS 98 -34.761 26.473 7.115 755 HG2 LYS 98 1HG LYS 98 -35.090 28.972 8.159 756 HG3 LYS 98 2HG LYS 98 -33.809 29.231 6.972 757 HD2 LYS 98 1HD LYS 98 -35.204 28.156 5.256 758 HD3 LYS 98 2HD LYS 98 -36.488 27.942 6.447 759 HE2 LYS 98 1HE LYS 98 -35.771 30.649 6.565 760 HE3 LYS 98 2HE LYS 98 -35.841 30.245 4.851 761 HZ1 LYS 98 1HZ LYS 98 -37.967 30.909 6.339 762 HZ2 LYS 98 2HZ LYS 98 -38.038 29.221 6.427 763 HZ3 LYS 98 3HZ LYS 98 -38.051 29.991 4.920 764 H SER 99 H SER 99 -36.105 27.803 9.944 765 HA SER 99 HA SER 99 -37.226 25.122 10.443 766 HB2 SER 99 1HB SER 99 -37.518 27.685 12.009 767 HB3 SER 99 2HB SER 99 -38.626 26.328 12.212 768 HG SER 99 HG SER 99 -36.609 25.068 12.571 769 H GLY 100 H GLY 100 -39.615 25.013 10.363 770 HA2 GLY 100 1HA GLY 100 -40.839 27.049 8.637 771 HA3 GLY 100 2HA GLY 100 -40.840 25.377 8.096 772 HA PRO 101 HA PRO 101 -44.331 26.464 11.240 773 HB2 PRO 101 1HB PRO 101 -46.269 27.416 9.594 774 HB3 PRO 101 2HB PRO 101 -45.102 28.462 10.409 775 HG2 PRO 101 1HG PRO 101 -45.091 27.446 7.593 776 HG3 PRO 101 2HG PRO 101 -44.716 29.070 8.197 777 HD2 PRO 101 1HD PRO 101 -42.793 27.284 7.531 778 HD3 PRO 101 2HD PRO 101 -42.578 28.480 8.825 779 H SER 102 H SER 102 -46.864 25.830 10.631 780 HA SER 102 HA SER 102 -46.976 23.542 8.866 781 HB2 SER 102 1HB SER 102 -47.745 22.006 10.694 782 HB3 SER 102 2HB SER 102 -46.044 22.459 10.810 783 HG SER 102 HG SER 102 -46.538 23.086 12.748 784 H SER 103 H SER 103 -49.220 22.462 9.097 785 HA SER 103 HA SER 103 -51.200 24.620 9.376 786 HB2 SER 103 1HB SER 103 -51.082 22.204 7.584 787 HB3 SER 103 2HB SER 103 -52.599 23.054 7.878 788 HG SER 103 HG SER 103 -51.536 24.967 7.121 789 H GLY 104 H GLY 104 -53.509 23.605 9.730 790 HA2 GLY 104 1HA GLY 104 -53.400 21.405 11.662 791 HA3 GLY 104 2HA GLY 104 -54.027 22.951 12.213 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -16.703 8.200 2.112 2 HA2 GLY 1 1HA GLY 1 -15.147 5.758 1.521 3 HA3 GLY 1 2HA GLY 1 -15.901 6.762 0.291 4 H SER 2 H SER 2 -15.159 9.290 1.165 5 HA SER 2 HA SER 2 -13.476 10.805 0.948 6 HB2 SER 2 1HB SER 2 -11.848 8.605 2.245 7 HB3 SER 2 2HB SER 2 -11.334 10.284 2.074 8 HG SER 2 HG SER 2 -12.220 10.032 4.104 9 H SER 3 H SER 3 -11.537 11.336 -0.262 10 HA SER 3 HA SER 3 -10.970 9.365 -2.380 11 HB2 SER 3 1HB SER 3 -12.290 11.526 -2.961 12 HB3 SER 3 2HB SER 3 -10.730 12.332 -2.800 13 HG SER 3 HG SER 3 -11.671 10.758 -4.810 14 H GLY 4 H GLY 4 -9.491 9.424 -0.008 15 HA2 GLY 4 1HA GLY 4 -6.853 9.821 -1.080 16 HA3 GLY 4 2HA GLY 4 -7.255 10.974 0.184 17 H SER 5 H SER 5 -7.552 7.465 -0.387 18 HA SER 5 HA SER 5 -5.976 6.858 1.930 19 HB2 SER 5 1HB SER 5 -8.863 7.046 2.189 20 HB3 SER 5 2HB SER 5 -8.283 5.427 2.580 21 HG SER 5 HG SER 5 -8.320 7.186 4.286 22 H SER 6 H SER 6 -4.834 5.761 0.251 23 HA SER 6 HA SER 6 -6.072 3.192 -0.486 24 HB2 SER 6 1HB SER 6 -4.861 3.255 -2.613 25 HB3 SER 6 2HB SER 6 -5.899 4.672 -2.456 26 HG SER 6 HG SER 6 -3.808 5.605 -1.507 27 H GLY 7 H GLY 7 -3.066 4.938 0.179 28 HA2 GLY 7 1HA GLY 7 -1.199 2.939 0.059 29 HA3 GLY 7 2HA GLY 7 -1.152 4.233 1.247 30 H LEU 8 H LEU 8 -0.281 1.484 1.553 31 HA LEU 8 HA LEU 8 -1.839 0.850 3.940 32 HB2 LEU 8 1HB LEU 8 -1.388 -0.988 1.616 33 HB3 LEU 8 2HB LEU 8 -1.621 -1.622 3.244 34 HG LEU 8 HG LEU 8 -3.621 0.187 1.908 35 HD11 LEU 8 1HD1 LEU 8 -4.433 -2.563 2.013 36 HD12 LEU 8 2HD1 LEU 8 -2.947 -2.402 1.079 37 HD13 LEU 8 3HD1 LEU 8 -4.373 -1.465 0.634 38 HD21 LEU 8 1HD2 LEU 8 -4.963 -1.437 3.613 39 HD22 LEU 8 2HD2 LEU 8 -4.354 0.164 4.034 40 HD23 LEU 8 3HD2 LEU 8 -3.420 -1.273 4.450 41 H ILE 9 H ILE 9 -0.619 0.135 5.604 42 HA ILE 9 HA ILE 9 2.260 -0.150 5.103 43 HB ILE 9 HB ILE 9 0.870 0.329 7.741 44 HG12 ILE 9 1HG1 ILE 9 0.579 2.203 6.127 45 HG13 ILE 9 2HG1 ILE 9 1.538 2.648 7.535 46 HG21 ILE 9 1HG2 ILE 9 2.866 -0.395 8.485 47 HG22 ILE 9 2HG2 ILE 9 3.654 -0.138 6.929 48 HG23 ILE 9 3HG2 ILE 9 3.411 1.219 8.029 49 HD11 ILE 9 1HD1 ILE 9 2.849 1.764 4.997 50 HD12 ILE 9 2HD1 ILE 9 2.313 3.429 5.224 51 HD13 ILE 9 3HD1 ILE 9 3.509 2.731 6.315 52 H ALA 10 H ALA 10 2.484 -2.290 4.579 53 HA ALA 10 HA ALA 10 1.302 -4.329 6.286 54 HB1 ALA 10 1HB ALA 10 1.739 -4.270 3.620 55 HB2 ALA 10 2HB ALA 10 3.159 -5.163 4.165 56 HB3 ALA 10 3HB ALA 10 1.543 -5.750 4.559 57 H CYS 11 H CYS 11 2.377 -5.527 7.754 58 HA CYS 11 HA CYS 11 5.257 -4.996 8.074 59 HB2 CYS 11 1HB CYS 11 3.356 -4.390 9.883 60 HB3 CYS 11 2HB CYS 11 3.704 -6.044 10.374 61 HG CYS 11 HG CYS 11 5.351 -3.319 11.077 62 H VAL 12 H VAL 12 6.437 -6.660 7.417 63 HA VAL 12 HA VAL 12 5.357 -9.377 7.680 64 HB VAL 12 HB VAL 12 7.899 -8.885 6.221 65 HG11 VAL 12 1HG1 VAL 12 5.479 -10.622 5.754 66 HG12 VAL 12 2HG1 VAL 12 6.897 -10.575 4.704 67 HG13 VAL 12 3HG1 VAL 12 7.050 -11.132 6.370 68 HG21 VAL 12 1HG2 VAL 12 6.620 -7.020 5.425 69 HG22 VAL 12 2HG2 VAL 12 6.620 -8.262 4.174 70 HG23 VAL 12 3HG2 VAL 12 5.196 -8.034 5.190 71 H ALA 13 H ALA 13 6.554 -11.037 8.633 72 HA ALA 13 HA ALA 13 8.533 -10.111 10.583 73 HB1 ALA 13 1HB ALA 13 7.386 -12.872 10.563 74 HB2 ALA 13 2HB ALA 13 7.956 -11.905 11.924 75 HB3 ALA 13 3HB ALA 13 6.421 -11.515 11.145 76 H ASN 14 H ASN 14 8.142 -12.274 7.859 77 HA ASN 14 HA ASN 14 10.526 -13.747 8.171 78 HB2 ASN 14 1HB ASN 14 8.586 -13.261 5.975 79 HB3 ASN 14 2HB ASN 14 10.182 -13.841 5.509 80 HD21 ASN 14 2HD2 ASN 14 7.690 -15.215 5.238 81 HD22 ASN 14 1HD2 ASN 14 7.801 -16.661 6.178 82 H ASP 15 H ASP 15 12.417 -12.720 8.418 83 HA ASP 15 HA ASP 15 13.099 -10.236 7.298 84 HB2 ASP 15 1HB ASP 15 14.281 -11.050 9.233 85 HB3 ASP 15 2HB ASP 15 14.838 -12.472 8.355 86 H ASP 16 H ASP 16 12.874 -13.292 5.872 87 HA ASP 16 HA ASP 16 14.918 -12.991 3.893 88 HB2 ASP 16 1HB ASP 16 13.133 -15.036 4.727 89 HB3 ASP 16 2HB ASP 16 12.854 -14.765 3.009 90 H VAL 17 H VAL 17 11.654 -11.925 4.235 91 HA VAL 17 HA VAL 17 11.000 -11.574 1.507 92 HB VAL 17 HB VAL 17 9.977 -10.183 3.982 93 HG11 VAL 17 1HG1 VAL 17 9.231 -8.618 2.553 94 HG12 VAL 17 2HG1 VAL 17 9.482 -9.644 1.139 95 HG13 VAL 17 3HG1 VAL 17 8.030 -9.836 2.122 96 HG21 VAL 17 1HG2 VAL 17 9.186 -12.323 4.155 97 HG22 VAL 17 2HG2 VAL 17 7.914 -11.609 3.164 98 HG23 VAL 17 3HG2 VAL 17 9.178 -12.581 2.410 99 H PHE 18 H PHE 18 13.038 -9.823 3.653 100 HA PHE 18 HA PHE 18 13.025 -7.438 1.969 101 HB2 PHE 18 1HB PHE 18 14.568 -7.987 4.513 102 HB3 PHE 18 2HB PHE 18 14.431 -6.434 3.694 103 HD1 PHE 18 2HD PHE 18 12.366 -9.071 5.312 104 HD2 PHE 18 1HD PHE 18 12.761 -4.955 4.300 105 HE1 PHE 18 2HE PHE 18 10.357 -8.556 6.635 106 HE2 PHE 18 1HE PHE 18 10.753 -4.433 5.623 107 HZ PHE 18 HZ PHE 18 9.547 -6.235 6.792 108 H SER 19 H SER 19 13.965 -9.687 0.664 109 HA SER 19 HA SER 19 16.789 -8.972 0.291 110 HB2 SER 19 1HB SER 19 16.535 -11.109 1.629 111 HB3 SER 19 2HB SER 19 15.797 -11.826 0.198 112 HG SER 19 HG SER 19 18.432 -11.258 0.725 113 H GLU 20 H GLU 20 17.646 -9.732 -1.825 114 HA GLU 20 HA GLU 20 15.667 -9.217 -3.890 115 HB2 GLU 20 1HB GLU 20 17.550 -8.949 -5.386 116 HB3 GLU 20 2HB GLU 20 17.842 -8.036 -3.912 117 HG2 GLU 20 1HG GLU 20 19.049 -10.317 -3.236 118 HG3 GLU 20 2HG GLU 20 19.237 -10.406 -4.986 119 H SER 21 H SER 21 17.086 -11.891 -2.412 120 HA SER 21 HA SER 21 17.652 -13.780 -4.226 121 HB2 SER 21 1HB SER 21 16.201 -13.861 -1.642 122 HB3 SER 21 2HB SER 21 16.062 -15.295 -2.659 123 HG SER 21 HG SER 21 18.594 -14.171 -2.256 124 H GLU 22 H GLU 22 14.289 -13.570 -3.070 125 HA GLU 22 HA GLU 22 13.057 -13.254 -5.545 126 HB2 GLU 22 1HB GLU 22 14.090 -15.896 -5.141 127 HB3 GLU 22 2HB GLU 22 12.333 -15.965 -5.155 128 HG2 GLU 22 1HG GLU 22 12.317 -15.811 -7.356 129 HG3 GLU 22 2HG GLU 22 13.188 -14.279 -7.281 130 H THR 23 H THR 23 12.959 -14.645 -2.340 131 HA THR 23 HA THR 23 10.338 -15.145 -1.866 132 HB THR 23 HB THR 23 11.951 -13.495 0.075 133 HG1 THR 23 1HG THR 23 12.768 -15.587 0.766 134 HG21 THR 23 1HG2 THR 23 10.525 -14.229 1.672 135 HG22 THR 23 2HG2 THR 23 10.341 -15.817 0.928 136 HG23 THR 23 3HG2 THR 23 9.432 -14.440 0.305 137 H ARG 24 H ARG 24 11.850 -11.944 -1.972 138 HA ARG 24 HA ARG 24 9.777 -10.357 -1.113 139 HB2 ARG 24 1HB ARG 24 11.949 -9.428 -1.628 140 HB3 ARG 24 2HB ARG 24 11.760 -9.830 -3.329 141 HG2 ARG 24 1HG ARG 24 9.544 -8.253 -2.670 142 HG3 ARG 24 2HG ARG 24 10.937 -7.480 -1.912 143 HD2 ARG 24 1HD ARG 24 12.070 -7.868 -4.219 144 HD3 ARG 24 2HD ARG 24 10.416 -8.033 -4.804 145 HE ARG 24 HE ARG 24 10.207 -5.770 -4.656 146 HH11 ARG 24 2HH1 ARG 24 12.804 -6.779 -2.568 147 HH12 ARG 24 1HH1 ARG 24 13.261 -5.163 -2.139 148 HH21 ARG 24 2HH2 ARG 24 10.798 -3.639 -4.098 149 HH22 ARG 24 1HH2 ARG 24 12.118 -3.378 -3.008 150 H ALA 25 H ALA 25 10.253 -11.785 -4.306 151 HA ALA 25 HA ALA 25 8.212 -10.483 -5.688 152 HB1 ALA 25 1HB ALA 25 9.916 -11.882 -6.763 153 HB2 ALA 25 2HB ALA 25 9.161 -13.320 -6.074 154 HB3 ALA 25 3HB ALA 25 8.284 -12.342 -7.250 155 H LYS 26 H LYS 26 8.106 -13.525 -3.849 156 HA LYS 26 HA LYS 26 5.478 -14.246 -4.326 157 HB2 LYS 26 1HB LYS 26 7.024 -14.579 -1.748 158 HB3 LYS 26 2HB LYS 26 5.585 -15.480 -2.203 159 HG2 LYS 26 1HG LYS 26 6.701 -16.774 -3.717 160 HG3 LYS 26 2HG LYS 26 7.925 -15.543 -4.034 161 HD2 LYS 26 1HD LYS 26 8.562 -15.999 -1.522 162 HD3 LYS 26 2HD LYS 26 7.761 -17.542 -1.828 163 HE2 LYS 26 1HE LYS 26 9.757 -16.573 -3.808 164 HE3 LYS 26 2HE LYS 26 10.348 -17.198 -2.270 165 HZ1 LYS 26 1HZ LYS 26 8.660 -19.117 -2.894 166 HZ2 LYS 26 2HZ LYS 26 10.266 -19.122 -3.428 167 HZ3 LYS 26 3HZ LYS 26 9.031 -18.601 -4.461 168 H PHE 27 H PHE 27 6.769 -11.885 -2.063 169 HA PHE 27 HA PHE 27 4.256 -11.421 -0.759 170 HB2 PHE 27 1HB PHE 27 6.157 -10.964 0.565 171 HB3 PHE 27 2HB PHE 27 6.923 -10.025 -0.712 172 HD1 PHE 27 1HD PHE 27 5.847 -7.812 -1.366 173 HD2 PHE 27 2HD PHE 27 4.877 -9.920 2.202 174 HE1 PHE 27 1HE PHE 27 4.932 -5.743 -0.396 175 HE2 PHE 27 2HE PHE 27 3.960 -7.856 3.177 176 HZ PHE 27 HZ PHE 27 3.986 -5.764 1.878 177 H GLU 28 H GLU 28 6.002 -10.032 -3.452 178 HA GLU 28 HA GLU 28 4.392 -7.686 -3.676 179 HB2 GLU 28 1HB GLU 28 6.492 -9.010 -5.316 180 HB3 GLU 28 2HB GLU 28 5.421 -7.879 -6.132 181 HG2 GLU 28 1HG GLU 28 6.033 -6.143 -4.517 182 HG3 GLU 28 2HG GLU 28 7.124 -7.278 -3.723 183 H SER 29 H SER 29 4.645 -10.533 -5.815 184 HA SER 29 HA SER 29 2.633 -10.153 -7.542 185 HB2 SER 29 1HB SER 29 4.063 -12.220 -7.348 186 HB3 SER 29 2HB SER 29 2.965 -12.787 -6.089 187 HG SER 29 HG SER 29 2.693 -13.026 -8.705 188 H LEU 30 H LEU 30 2.240 -11.004 -4.155 189 HA LEU 30 HA LEU 30 -0.443 -11.671 -4.087 190 HB2 LEU 30 1HB LEU 30 1.329 -10.277 -2.108 191 HB3 LEU 30 2HB LEU 30 -0.361 -10.621 -1.748 192 HG LEU 30 HG LEU 30 1.800 -12.646 -2.321 193 HD11 LEU 30 1HD1 LEU 30 0.842 -11.375 0.091 194 HD12 LEU 30 2HD1 LEU 30 2.229 -12.436 -0.151 195 HD13 LEU 30 3HD1 LEU 30 0.635 -13.125 0.151 196 HD21 LEU 30 1HD2 LEU 30 -0.204 -14.124 -1.404 197 HD22 LEU 30 2HD2 LEU 30 -0.009 -13.774 -3.121 198 HD23 LEU 30 3HD2 LEU 30 -1.156 -12.845 -2.156 199 H PHE 31 H PHE 31 0.999 -8.436 -3.705 200 HA PHE 31 HA PHE 31 -1.589 -7.164 -3.750 201 HB2 PHE 31 1HB PHE 31 1.154 -5.897 -3.906 202 HB3 PHE 31 2HB PHE 31 -0.359 -5.082 -3.524 203 HD1 PHE 31 1HD PHE 31 2.090 -7.559 -2.305 204 HD2 PHE 31 2HD PHE 31 -1.225 -5.073 -1.332 205 HE1 PHE 31 1HE PHE 31 2.456 -8.013 0.085 206 HE2 PHE 31 2HE PHE 31 -0.864 -5.523 1.060 207 HZ PHE 31 HZ PHE 31 0.979 -6.994 1.771 208 H ARG 32 H ARG 32 1.276 -7.124 -5.870 209 HA ARG 32 HA ARG 32 0.484 -5.524 -7.895 210 HB2 ARG 32 1HB ARG 32 2.479 -7.378 -7.576 211 HB3 ARG 32 2HB ARG 32 1.554 -8.064 -8.905 212 HG2 ARG 32 1HG ARG 32 2.342 -5.188 -8.980 213 HG3 ARG 32 2HG ARG 32 3.518 -6.438 -9.387 214 HD2 ARG 32 1HD ARG 32 1.822 -7.342 -11.016 215 HD3 ARG 32 2HD ARG 32 0.877 -5.884 -10.719 216 HE ARG 32 HE ARG 32 3.376 -4.986 -11.394 217 HH11 ARG 32 2HH1 ARG 32 0.971 -7.015 -12.885 218 HH12 ARG 32 1HH1 ARG 32 1.419 -6.581 -14.502 219 HH21 ARG 32 2HH2 ARG 32 3.975 -4.407 -13.517 220 HH22 ARG 32 1HH2 ARG 32 3.129 -5.098 -14.860 221 H THR 33 H THR 33 -0.441 -8.936 -7.537 222 HA THR 33 HA THR 33 -1.830 -9.472 -9.777 223 HB THR 33 HB THR 33 -2.715 -10.082 -6.953 224 HG1 THR 33 1HG THR 33 -0.971 -11.242 -8.800 225 HG21 THR 33 1HG2 THR 33 -4.131 -10.453 -9.409 226 HG22 THR 33 2HG2 THR 33 -4.602 -10.931 -7.777 227 HG23 THR 33 3HG2 THR 33 -3.652 -12.028 -8.779 228 H TYR 34 H TYR 34 -3.005 -7.475 -7.100 229 HA TYR 34 HA TYR 34 -5.586 -7.034 -8.214 230 HB2 TYR 34 1HB TYR 34 -4.200 -5.214 -6.252 231 HB3 TYR 34 2HB TYR 34 -5.927 -5.496 -6.440 232 HD1 TYR 34 1HD TYR 34 -6.202 -8.363 -6.419 233 HD2 TYR 34 2HD TYR 34 -3.569 -5.916 -4.142 234 HE1 TYR 34 1HE TYR 34 -6.111 -10.095 -4.675 235 HE2 TYR 34 2HE TYR 34 -3.470 -7.641 -2.393 236 HH TYR 34 HH TYR 34 -4.410 -9.550 -1.633 237 H ASP 35 H ASP 35 -3.053 -4.597 -7.636 238 HA ASP 35 HA ASP 35 -3.932 -3.236 -10.091 239 HB2 ASP 35 1HB ASP 35 -3.720 -2.220 -7.558 240 HB3 ASP 35 2HB ASP 35 -2.173 -1.753 -8.259 241 H LYS 36 H LYS 36 -2.400 -2.440 -11.559 242 HA LYS 36 HA LYS 36 0.098 -3.946 -11.573 243 HB2 LYS 36 1HB LYS 36 0.279 -3.189 -13.917 244 HB3 LYS 36 2HB LYS 36 -1.234 -4.028 -13.599 245 HG2 LYS 36 1HG LYS 36 -2.457 -2.248 -14.145 246 HG3 LYS 36 2HG LYS 36 -1.434 -1.152 -13.214 247 HD2 LYS 36 1HD LYS 36 0.244 -1.588 -15.206 248 HD3 LYS 36 2HD LYS 36 -1.246 -1.969 -16.071 249 HE2 LYS 36 1HE LYS 36 -2.037 0.180 -15.931 250 HE3 LYS 36 2HE LYS 36 -1.138 0.529 -14.454 251 HZ1 LYS 36 1HZ LYS 36 -0.181 0.538 -17.244 252 HZ2 LYS 36 2HZ LYS 36 0.908 0.341 -15.964 253 HZ3 LYS 36 3HZ LYS 36 -0.033 1.743 -16.065 254 H ASP 37 H ASP 37 -1.056 -0.799 -10.921 255 HA ASP 37 HA ASP 37 1.631 0.352 -11.219 256 HB2 ASP 37 1HB ASP 37 -1.008 1.369 -11.702 257 HB3 ASP 37 2HB ASP 37 -0.224 2.355 -10.471 258 H THR 38 H THR 38 0.761 -1.440 -9.040 259 HA THR 38 HA THR 38 0.475 0.199 -6.693 260 HB THR 38 HB THR 38 1.199 -2.237 -5.713 261 HG1 THR 38 1HG THR 38 -0.036 -3.694 -7.190 262 HG21 THR 38 1HG2 THR 38 -1.407 -2.675 -5.970 263 HG22 THR 38 2HG2 THR 38 -1.390 -0.984 -6.470 264 HG23 THR 38 3HG2 THR 38 -0.777 -1.440 -4.881 265 H THR 39 H THR 39 2.059 1.149 -5.605 266 HA THR 39 HA THR 39 4.827 0.478 -6.234 267 HB THR 39 HB THR 39 5.455 2.537 -5.219 268 HG1 THR 39 1HG THR 39 3.015 2.248 -3.917 269 HG21 THR 39 1HG2 THR 39 4.499 4.007 -6.692 270 HG22 THR 39 2HG2 THR 39 2.866 3.410 -6.398 271 HG23 THR 39 3HG2 THR 39 3.973 2.489 -7.416 272 H PHE 40 H PHE 40 6.324 -0.224 -4.751 273 HA PHE 40 HA PHE 40 5.277 -0.978 -2.103 274 HB2 PHE 40 1HB PHE 40 7.279 -2.504 -3.781 275 HB3 PHE 40 2HB PHE 40 6.712 -2.967 -2.180 276 HD1 PHE 40 2HD PHE 40 5.495 -2.283 -5.625 277 HD2 PHE 40 1HD PHE 40 4.874 -4.356 -1.960 278 HE1 PHE 40 2HE PHE 40 3.640 -3.533 -6.650 279 HE2 PHE 40 1HE PHE 40 3.019 -5.610 -2.978 280 HZ PHE 40 HZ PHE 40 2.398 -5.198 -5.326 281 H GLN 41 H GLN 41 6.408 -0.317 -0.382 282 HA GLN 41 HA GLN 41 9.122 0.737 -0.832 283 HB2 GLN 41 1HB GLN 41 6.824 2.144 0.030 284 HB3 GLN 41 2HB GLN 41 7.877 1.987 1.430 285 HG2 GLN 41 1HG GLN 41 9.554 3.237 0.484 286 HG3 GLN 41 2HG GLN 41 9.029 2.890 -1.163 287 HE21 GLN 41 2HE2 GLN 41 6.908 3.835 -1.782 288 HE22 GLN 41 1HE2 GLN 41 6.538 5.421 -1.206 289 H TYR 42 H TYR 42 10.451 -0.713 0.056 290 HA TYR 42 HA TYR 42 9.692 -2.056 2.535 291 HB2 TYR 42 1HB TYR 42 11.895 -2.511 0.530 292 HB3 TYR 42 2HB TYR 42 11.864 -3.334 2.085 293 HD1 TYR 42 2HD TYR 42 10.213 -3.007 -1.179 294 HD2 TYR 42 1HD TYR 42 10.267 -5.086 2.533 295 HE1 TYR 42 2HE TYR 42 8.728 -4.724 -2.126 296 HE2 TYR 42 1HE TYR 42 8.783 -6.810 1.595 297 HH TYR 42 HH TYR 42 7.524 -6.548 -1.712 298 H PHE 43 H PHE 43 10.345 -1.331 4.438 299 HA PHE 43 HA PHE 43 12.674 0.467 4.536 300 HB2 PHE 43 1HB PHE 43 10.434 0.221 6.553 301 HB3 PHE 43 2HB PHE 43 11.716 1.426 6.548 302 HD1 PHE 43 2HD PHE 43 11.823 3.028 4.562 303 HD2 PHE 43 1HD PHE 43 8.427 0.624 5.457 304 HE1 PHE 43 2HE PHE 43 10.413 4.523 3.211 305 HE2 PHE 43 1HE PHE 43 7.010 2.115 4.107 306 HZ PHE 43 HZ PHE 43 8.002 4.069 2.982 307 H LYS 44 H LYS 44 14.384 -0.829 4.935 308 HA LYS 44 HA LYS 44 14.318 -3.137 6.568 309 HB2 LYS 44 1HB LYS 44 16.118 -2.024 4.802 310 HB3 LYS 44 2HB LYS 44 16.929 -1.829 6.351 311 HG2 LYS 44 1HG LYS 44 17.102 -4.098 6.700 312 HG3 LYS 44 2HG LYS 44 15.750 -4.473 5.630 313 HD2 LYS 44 1HD LYS 44 18.383 -3.361 4.673 314 HD3 LYS 44 2HD LYS 44 18.014 -5.087 4.736 315 HE2 LYS 44 1HE LYS 44 17.393 -4.670 2.587 316 HE3 LYS 44 2HE LYS 44 15.872 -4.286 3.390 317 HZ1 LYS 44 1HZ LYS 44 17.262 -2.640 1.728 318 HZ2 LYS 44 2HZ LYS 44 17.646 -2.043 3.263 319 HZ3 LYS 44 3HZ LYS 44 16.028 -2.166 2.784 320 H SER 45 H SER 45 14.631 0.218 7.270 321 HA SER 45 HA SER 45 15.904 -0.109 9.823 322 HB2 SER 45 1HB SER 45 14.416 2.272 8.687 323 HB3 SER 45 2HB SER 45 15.447 2.287 10.118 324 HG SER 45 HG SER 45 17.070 2.558 8.832 325 H PHE 46 H PHE 46 12.750 -0.499 8.653 326 HA PHE 46 HA PHE 46 11.742 -0.705 11.396 327 HB2 PHE 46 1HB PHE 46 10.254 0.686 9.159 328 HB3 PHE 46 2HB PHE 46 9.645 0.404 10.787 329 HD1 PHE 46 2HD PHE 46 10.509 1.671 12.677 330 HD2 PHE 46 1HD PHE 46 11.849 2.418 8.706 331 HE1 PHE 46 2HE PHE 46 11.466 3.817 13.407 332 HE2 PHE 46 1HE PHE 46 12.809 4.566 9.430 333 HZ PHE 46 HZ PHE 46 12.617 5.268 11.783 334 H LYS 47 H LYS 47 12.505 -2.435 8.945 335 HA LYS 47 HA LYS 47 11.653 -4.212 7.747 336 HB2 LYS 47 1HB LYS 47 10.711 -4.710 10.572 337 HB3 LYS 47 2HB LYS 47 10.656 -5.925 9.302 338 HG2 LYS 47 1HG LYS 47 13.247 -4.576 9.842 339 HG3 LYS 47 2HG LYS 47 12.666 -5.779 10.996 340 HD2 LYS 47 1HD LYS 47 12.640 -7.481 9.358 341 HD3 LYS 47 2HD LYS 47 12.812 -6.319 8.040 342 HE2 LYS 47 1HE LYS 47 14.962 -7.076 8.173 343 HE3 LYS 47 2HE LYS 47 15.049 -5.737 9.314 344 HZ1 LYS 47 1HZ LYS 47 14.832 -8.627 9.907 345 HZ2 LYS 47 2HZ LYS 47 14.499 -7.447 11.071 346 HZ3 LYS 47 3HZ LYS 47 16.043 -7.547 10.387 347 H ARG 48 H ARG 48 9.915 -1.879 7.684 348 HA ARG 48 HA ARG 48 7.249 -3.109 7.650 349 HB2 ARG 48 1HB ARG 48 8.265 -0.385 8.093 350 HB3 ARG 48 2HB ARG 48 6.846 -0.469 7.059 351 HG2 ARG 48 1HG ARG 48 5.696 -1.774 8.824 352 HG3 ARG 48 2HG ARG 48 7.100 -1.526 9.865 353 HD2 ARG 48 1HD ARG 48 6.687 1.000 9.262 354 HD3 ARG 48 2HD ARG 48 5.054 0.427 8.927 355 HE ARG 48 HE ARG 48 5.759 -0.560 11.419 356 HH11 ARG 48 2HH1 ARG 48 5.283 2.539 9.906 357 HH12 ARG 48 1HH1 ARG 48 4.780 3.322 11.368 358 HH21 ARG 48 2HH2 ARG 48 5.099 0.458 13.350 359 HH22 ARG 48 1HH2 ARG 48 4.677 2.138 13.327 360 H VAL 49 H VAL 49 5.825 -2.581 5.822 361 HA VAL 49 HA VAL 49 7.240 -2.023 3.314 362 HB VAL 49 HB VAL 49 5.294 -4.314 3.573 363 HG11 VAL 49 1HG1 VAL 49 5.453 -3.310 1.352 364 HG12 VAL 49 2HG1 VAL 49 7.204 -3.528 1.373 365 HG13 VAL 49 3HG1 VAL 49 6.140 -4.934 1.367 366 HG21 VAL 49 1HG2 VAL 49 7.248 -4.870 4.876 367 HG22 VAL 49 2HG2 VAL 49 7.274 -5.788 3.370 368 HG23 VAL 49 3HG2 VAL 49 8.310 -4.374 3.558 369 H ARG 50 H ARG 50 6.260 -0.190 2.710 370 HA ARG 50 HA ARG 50 3.385 0.125 3.073 371 HB2 ARG 50 1HB ARG 50 5.053 1.953 3.610 372 HB3 ARG 50 2HB ARG 50 5.318 2.109 1.878 373 HG2 ARG 50 1HG ARG 50 2.512 2.192 2.420 374 HG3 ARG 50 2HG ARG 50 3.353 3.354 3.447 375 HD2 ARG 50 1HD ARG 50 4.585 3.751 1.053 376 HD3 ARG 50 2HD ARG 50 2.948 3.343 0.542 377 HE ARG 50 HE ARG 50 2.846 5.252 2.610 378 HH11 ARG 50 2HH1 ARG 50 3.711 4.942 -0.748 379 HH12 ARG 50 1HH1 ARG 50 3.356 6.594 -1.127 380 HH21 ARG 50 2HH2 ARG 50 2.375 7.430 2.123 381 HH22 ARG 50 1HH2 ARG 50 2.597 8.009 0.507 382 H ILE 51 H ILE 51 2.062 -0.592 1.549 383 HA ILE 51 HA ILE 51 2.995 -0.625 -1.242 384 HB ILE 51 HB ILE 51 0.690 -2.166 -0.047 385 HG12 ILE 51 1HG1 ILE 51 2.681 -3.947 -0.851 386 HG13 ILE 51 2HG1 ILE 51 3.554 -2.660 -0.025 387 HG21 ILE 51 1HG2 ILE 51 1.875 -3.163 -2.502 388 HG22 ILE 51 2HG2 ILE 51 0.186 -2.846 -2.110 389 HG23 ILE 51 3HG2 ILE 51 1.218 -1.536 -2.683 390 HD11 ILE 51 1HD1 ILE 51 2.975 -3.510 1.927 391 HD12 ILE 51 2HD1 ILE 51 1.267 -3.343 1.519 392 HD13 ILE 51 3HD1 ILE 51 2.134 -4.819 1.096 393 H ASN 52 H ASN 52 2.388 1.221 -2.200 394 HA ASN 52 HA ASN 52 -0.201 2.408 -1.593 395 HB2 ASN 52 1HB ASN 52 2.260 3.500 -2.184 396 HB3 ASN 52 2HB ASN 52 1.388 3.673 -3.704 397 HD21 ASN 52 2HD2 ASN 52 0.984 4.188 -0.223 398 HD22 ASN 52 1HD2 ASN 52 0.068 5.645 -0.370 399 H PHE 53 H PHE 53 -1.929 2.382 -2.914 400 HA PHE 53 HA PHE 53 -1.667 0.887 -5.429 401 HB2 PHE 53 1HB PHE 53 -4.197 1.487 -3.888 402 HB3 PHE 53 2HB PHE 53 -4.016 0.370 -5.237 403 HD1 PHE 53 2HD PHE 53 -2.803 0.982 -1.774 404 HD2 PHE 53 1HD PHE 53 -3.612 -1.869 -4.830 405 HE1 PHE 53 2HE PHE 53 -2.331 -0.842 -0.193 406 HE2 PHE 53 1HE PHE 53 -3.142 -3.698 -3.253 407 HZ PHE 53 HZ PHE 53 -2.500 -3.186 -0.931 408 H SER 54 H SER 54 -3.665 1.576 -6.943 409 HA SER 54 HA SER 54 -3.231 4.430 -7.458 410 HB2 SER 54 1HB SER 54 -2.681 2.834 -9.275 411 HB3 SER 54 2HB SER 54 -4.364 2.306 -9.294 412 HG SER 54 HG SER 54 -4.979 4.296 -10.025 413 H ASN 55 H ASN 55 -5.410 2.574 -5.902 414 HA ASN 55 HA ASN 55 -7.451 4.597 -6.048 415 HB2 ASN 55 1HB ASN 55 -9.244 2.853 -6.597 416 HB3 ASN 55 2HB ASN 55 -8.242 3.413 -7.933 417 HD21 ASN 55 2HD2 ASN 55 -6.888 2.008 -8.950 418 HD22 ASN 55 1HD2 ASN 55 -6.853 0.313 -8.622 419 HA PRO 56 HA PRO 56 -7.957 3.290 -1.876 420 HB2 PRO 56 1HB PRO 56 -10.413 4.337 -1.383 421 HB3 PRO 56 2HB PRO 56 -8.955 5.328 -1.516 422 HG2 PRO 56 1HG PRO 56 -11.079 4.796 -3.559 423 HG3 PRO 56 2HG PRO 56 -10.274 6.324 -3.152 424 HD2 PRO 56 1HD PRO 56 -9.579 4.840 -5.307 425 HD3 PRO 56 2HD PRO 56 -8.405 5.818 -4.403 426 H LEU 57 H LEU 57 -9.537 1.927 -4.422 427 HA LEU 57 HA LEU 57 -11.499 0.418 -2.910 428 HB2 LEU 57 1HB LEU 57 -10.651 0.173 -5.792 429 HB3 LEU 57 2HB LEU 57 -12.033 -0.630 -5.047 430 HG LEU 57 HG LEU 57 -11.833 2.363 -5.130 431 HD11 LEU 57 1HD1 LEU 57 -11.962 2.318 -7.348 432 HD12 LEU 57 2HD1 LEU 57 -13.568 1.614 -7.154 433 HD13 LEU 57 3HD1 LEU 57 -12.167 0.566 -7.375 434 HD21 LEU 57 1HD2 LEU 57 -14.406 0.993 -5.396 435 HD22 LEU 57 2HD2 LEU 57 -13.936 2.337 -4.356 436 HD23 LEU 57 3HD2 LEU 57 -13.571 0.679 -3.874 437 H SER 58 H SER 58 -8.853 -0.548 -5.103 438 HA SER 58 HA SER 58 -8.685 -3.196 -4.375 439 HB2 SER 58 1HB SER 58 -7.168 -1.424 -5.946 440 HB3 SER 58 2HB SER 58 -6.028 -2.144 -4.809 441 HG SER 58 HG SER 58 -7.873 -3.756 -6.196 442 H ALA 59 H ALA 59 -7.094 -0.415 -2.869 443 HA ALA 59 HA ALA 59 -5.379 -1.555 -1.104 444 HB1 ALA 59 1HB ALA 59 -7.281 0.682 -0.413 445 HB2 ALA 59 2HB ALA 59 -5.738 0.332 0.369 446 HB3 ALA 59 3HB ALA 59 -5.774 0.868 -1.312 447 H ALA 60 H ALA 60 -8.874 -1.609 -0.948 448 HA ALA 60 HA ALA 60 -9.019 -2.615 1.729 449 HB1 ALA 60 1HB ALA 60 -10.879 -1.829 -0.349 450 HB2 ALA 60 2HB ALA 60 -11.398 -3.295 0.482 451 HB3 ALA 60 3HB ALA 60 -11.076 -1.827 1.404 452 H ASP 61 H ASP 61 -9.792 -4.123 -1.415 453 HA ASP 61 HA ASP 61 -10.131 -6.718 -0.535 454 HB2 ASP 61 1HB ASP 61 -9.846 -5.402 -3.045 455 HB3 ASP 61 2HB ASP 61 -8.802 -6.821 -3.059 456 H ALA 62 H ALA 62 -7.170 -4.954 -1.119 457 HA ALA 62 HA ALA 62 -5.382 -7.128 -1.161 458 HB1 ALA 62 1HB ALA 62 -3.825 -5.188 -0.180 459 HB2 ALA 62 2HB ALA 62 -4.299 -5.273 -1.877 460 HB3 ALA 62 3HB ALA 62 -5.165 -4.206 -0.772 461 H ARG 63 H ARG 63 -7.036 -5.524 1.428 462 HA ARG 63 HA ARG 63 -5.303 -6.475 3.513 463 HB2 ARG 63 1HB ARG 63 -6.678 -4.405 3.710 464 HB3 ARG 63 2HB ARG 63 -8.122 -5.409 3.729 465 HG2 ARG 63 1HG ARG 63 -7.609 -6.315 5.822 466 HG3 ARG 63 2HG ARG 63 -5.928 -5.781 5.736 467 HD2 ARG 63 1HD ARG 63 -6.418 -3.758 6.557 468 HD3 ARG 63 2HD ARG 63 -7.839 -3.591 5.526 469 HE ARG 63 HE ARG 63 -7.795 -4.391 8.259 470 HH11 ARG 63 2HH1 ARG 63 -9.478 -4.832 5.244 471 HH12 ARG 63 1HH1 ARG 63 -10.981 -5.256 5.995 472 HH21 ARG 63 2HH2 ARG 63 -9.768 -4.949 9.259 473 HH22 ARG 63 1HH2 ARG 63 -11.145 -5.322 8.279 474 H LEU 64 H LEU 64 -8.728 -7.176 2.789 475 HA LEU 64 HA LEU 64 -9.059 -9.345 4.446 476 HB2 LEU 64 1HB LEU 64 -11.044 -9.640 3.420 477 HB3 LEU 64 2HB LEU 64 -10.646 -8.072 2.719 478 HG LEU 64 HG LEU 64 -9.616 -9.502 0.796 479 HD11 LEU 64 1HD1 LEU 64 -10.378 -11.567 2.404 480 HD12 LEU 64 2HD1 LEU 64 -10.100 -11.683 0.666 481 HD13 LEU 64 3HD1 LEU 64 -11.736 -11.458 1.283 482 HD21 LEU 64 1HD2 LEU 64 -12.608 -9.518 0.960 483 HD22 LEU 64 2HD2 LEU 64 -11.570 -9.199 -0.430 484 HD23 LEU 64 3HD2 LEU 64 -11.712 -8.003 0.859 485 H ARG 65 H ARG 65 -7.637 -9.249 1.226 486 HA ARG 65 HA ARG 65 -7.396 -12.087 0.974 487 HB2 ARG 65 1HB ARG 65 -6.498 -9.709 -0.566 488 HB3 ARG 65 2HB ARG 65 -5.603 -11.204 -0.807 489 HG2 ARG 65 1HG ARG 65 -8.333 -11.876 -0.922 490 HG3 ARG 65 2HG ARG 65 -8.122 -10.415 -1.889 491 HD2 ARG 65 1HD ARG 65 -6.004 -11.785 -2.751 492 HD3 ARG 65 2HD ARG 65 -7.031 -13.142 -2.290 493 HE ARG 65 HE ARG 65 -8.696 -11.641 -3.773 494 HH11 ARG 65 2HH1 ARG 65 -5.455 -12.788 -4.324 495 HH12 ARG 65 1HH1 ARG 65 -5.640 -12.876 -6.045 496 HH21 ARG 65 2HH2 ARG 65 -8.951 -11.755 -6.036 497 HH22 ARG 65 1HH2 ARG 65 -7.628 -12.287 -7.017 498 H LEU 66 H LEU 66 -5.556 -9.613 2.500 499 HA LEU 66 HA LEU 66 -3.407 -11.557 3.034 500 HB2 LEU 66 1HB LEU 66 -3.011 -8.580 3.002 501 HB3 LEU 66 2HB LEU 66 -1.785 -9.846 3.004 502 HG LEU 66 HG LEU 66 -3.650 -9.364 0.689 503 HD11 LEU 66 1HD1 LEU 66 -2.489 -7.364 0.730 504 HD12 LEU 66 2HD1 LEU 66 -1.479 -8.369 -0.308 505 HD13 LEU 66 3HD1 LEU 66 -1.025 -8.107 1.376 506 HD21 LEU 66 1HD2 LEU 66 -0.975 -10.564 0.370 507 HD22 LEU 66 2HD2 LEU 66 -2.503 -10.967 -0.413 508 HD23 LEU 66 3HD2 LEU 66 -2.168 -11.543 1.222 509 H HIS 67 H HIS 67 -2.191 -9.480 4.823 510 HA HIS 67 HA HIS 67 -2.399 -8.630 6.956 511 HB2 HIS 67 1HB HIS 67 -4.952 -8.492 6.249 512 HB3 HIS 67 2HB HIS 67 -5.096 -9.844 7.369 513 HD1 HIS 67 1HD HIS 67 -2.500 -7.843 8.705 514 HD2 HIS 67 2HD HIS 67 -6.642 -7.528 8.606 515 HE1 HIS 67 1HE HIS 67 -3.098 -6.249 10.556 516 H LYS 68 H LYS 68 -3.993 -10.122 9.002 517 HA LYS 68 HA LYS 68 -2.183 -11.663 10.212 518 HB2 LYS 68 1HB LYS 68 -5.134 -12.259 9.959 519 HB3 LYS 68 2HB LYS 68 -4.071 -13.079 11.095 520 HG2 LYS 68 1HG LYS 68 -4.120 -11.379 12.533 521 HG3 LYS 68 2HG LYS 68 -3.885 -10.179 11.260 522 HD2 LYS 68 1HD LYS 68 -6.013 -9.761 12.250 523 HD3 LYS 68 2HD LYS 68 -6.305 -10.477 10.663 524 HE2 LYS 68 1HE LYS 68 -7.307 -12.274 11.541 525 HE3 LYS 68 2HE LYS 68 -6.078 -12.456 12.793 526 HZ1 LYS 68 1HZ LYS 68 -8.674 -11.471 13.063 527 HZ2 LYS 68 2HZ LYS 68 -7.620 -10.183 13.363 528 HZ3 LYS 68 3HZ LYS 68 -7.483 -11.612 14.257 529 H THR 69 H THR 69 -3.988 -12.587 7.365 530 HA THR 69 HA THR 69 -3.859 -15.230 7.111 531 HB THR 69 HB THR 69 -3.271 -14.995 4.718 532 HG1 THR 69 1HG THR 69 -1.724 -13.323 4.901 533 HG21 THR 69 1HG2 THR 69 -5.426 -13.710 6.104 534 HG22 THR 69 2HG2 THR 69 -5.428 -14.477 4.516 535 HG23 THR 69 3HG2 THR 69 -5.006 -12.772 4.671 536 H GLU 70 H GLU 70 -2.422 -16.825 7.284 537 HA GLU 70 HA GLU 70 0.268 -16.322 8.005 538 HB2 GLU 70 1HB GLU 70 -1.475 -18.643 7.711 539 HB3 GLU 70 2HB GLU 70 0.183 -18.981 7.235 540 HG2 GLU 70 1HG GLU 70 0.992 -18.248 9.391 541 HG3 GLU 70 2HG GLU 70 -0.641 -17.789 9.874 542 H PHE 71 H PHE 71 1.224 -15.120 6.351 543 HA PHE 71 HA PHE 71 1.296 -16.091 3.649 544 HB2 PHE 71 1HB PHE 71 1.422 -13.768 3.747 545 HB3 PHE 71 2HB PHE 71 2.538 -13.786 5.108 546 HD1 PHE 71 1HD PHE 71 4.915 -14.165 4.763 547 HD2 PHE 71 2HD PHE 71 2.203 -13.983 1.488 548 HE1 PHE 71 1HE PHE 71 6.809 -13.884 3.216 549 HE2 PHE 71 2HE PHE 71 4.092 -13.702 -0.064 550 HZ PHE 71 HZ PHE 71 6.398 -13.653 0.799 551 H LEU 72 H LEU 72 2.365 -17.947 3.309 552 HA LEU 72 HA LEU 72 4.088 -19.415 3.100 553 HB2 LEU 72 1HB LEU 72 5.379 -16.805 3.362 554 HB3 LEU 72 2HB LEU 72 6.399 -18.153 3.858 555 HG LEU 72 HG LEU 72 5.092 -18.610 1.294 556 HD11 LEU 72 1HD1 LEU 72 5.258 -16.286 0.912 557 HD12 LEU 72 2HD1 LEU 72 6.646 -17.014 0.106 558 HD13 LEU 72 3HD1 LEU 72 6.854 -16.200 1.656 559 HD21 LEU 72 1HD2 LEU 72 7.300 -19.510 2.651 560 HD22 LEU 72 2HD2 LEU 72 8.002 -18.461 1.419 561 HD23 LEU 72 3HD2 LEU 72 6.952 -19.798 0.946 562 H GLY 73 H GLY 73 2.815 -18.576 5.812 563 HA2 GLY 73 1HA GLY 73 2.999 -20.214 7.632 564 HA3 GLY 73 2HA GLY 73 4.744 -20.088 7.462 565 H LYS 74 H LYS 74 4.594 -17.152 7.116 566 HA LYS 74 HA LYS 74 4.384 -16.492 9.959 567 HB2 LYS 74 1HB LYS 74 5.995 -15.519 7.689 568 HB3 LYS 74 2HB LYS 74 5.438 -14.267 8.792 569 HG2 LYS 74 1HG LYS 74 7.106 -16.678 9.468 570 HG3 LYS 74 2HG LYS 74 7.605 -14.985 9.489 571 HD2 LYS 74 1HD LYS 74 5.554 -14.809 11.173 572 HD3 LYS 74 2HD LYS 74 5.952 -16.510 11.428 573 HE2 LYS 74 1HE LYS 74 8.407 -15.225 11.460 574 HE3 LYS 74 2HE LYS 74 7.336 -14.122 12.321 575 HZ1 LYS 74 1HZ LYS 74 6.621 -16.350 13.483 576 HZ2 LYS 74 2HZ LYS 74 7.962 -15.471 14.019 577 HZ3 LYS 74 3HZ LYS 74 8.180 -16.829 13.035 578 H GLU 75 H GLU 75 3.218 -14.710 10.714 579 HA GLU 75 HA GLU 75 0.946 -13.990 9.033 580 HB2 GLU 75 1HB GLU 75 0.357 -14.724 11.231 581 HB3 GLU 75 2HB GLU 75 1.517 -13.629 11.973 582 HG2 GLU 75 1HG GLU 75 -0.214 -12.037 10.434 583 HG3 GLU 75 2HG GLU 75 -1.225 -13.183 11.313 584 H MET 76 H MET 76 0.814 -12.119 7.994 585 HA MET 76 HA MET 76 2.688 -9.977 8.730 586 HB2 MET 76 1HB MET 76 3.059 -10.600 6.483 587 HB3 MET 76 2HB MET 76 1.338 -10.695 6.138 588 HG2 MET 76 1HG MET 76 2.086 -8.049 7.007 589 HG3 MET 76 2HG MET 76 3.042 -8.568 5.620 590 HE1 MET 76 1HE MET 76 1.804 -10.228 4.063 591 HE2 MET 76 2HE MET 76 0.063 -10.234 3.776 592 HE3 MET 76 3HE MET 76 1.104 -9.145 2.858 593 H LYS 77 H LYS 77 1.975 -8.000 9.318 594 HA LYS 77 HA LYS 77 -0.899 -7.692 9.717 595 HB2 LYS 77 1HB LYS 77 1.548 -6.514 10.916 596 HB3 LYS 77 2HB LYS 77 0.123 -5.486 10.859 597 HG2 LYS 77 1HG LYS 77 -1.150 -7.121 12.104 598 HG3 LYS 77 2HG LYS 77 0.220 -8.234 12.091 599 HD2 LYS 77 1HD LYS 77 0.664 -5.505 13.179 600 HD3 LYS 77 2HD LYS 77 -0.286 -6.632 14.152 601 HE2 LYS 77 1HE LYS 77 1.589 -7.599 14.842 602 HE3 LYS 77 2HE LYS 77 1.970 -8.038 13.177 603 HZ1 LYS 77 1HZ LYS 77 2.548 -5.295 13.967 604 HZ2 LYS 77 2HZ LYS 77 3.423 -6.341 12.966 605 HZ3 LYS 77 3HZ LYS 77 3.529 -6.494 14.648 606 H LEU 78 H LEU 78 -1.843 -5.497 9.337 607 HA LEU 78 HA LEU 78 -0.593 -3.926 7.241 608 HB2 LEU 78 1HB LEU 78 -3.000 -5.637 6.835 609 HB3 LEU 78 2HB LEU 78 -2.905 -4.085 6.006 610 HG LEU 78 HG LEU 78 -0.575 -5.895 5.733 611 HD11 LEU 78 1HD1 LEU 78 -3.272 -6.729 5.098 612 HD12 LEU 78 2HD1 LEU 78 -1.764 -7.643 5.048 613 HD13 LEU 78 3HD1 LEU 78 -2.248 -6.664 3.663 614 HD21 LEU 78 1HD2 LEU 78 -1.139 -3.534 4.673 615 HD22 LEU 78 2HD2 LEU 78 -1.970 -4.541 3.487 616 HD23 LEU 78 3HD2 LEU 78 -0.246 -4.766 3.781 617 H TYR 79 H TYR 79 -0.955 -1.846 7.626 618 HA TYR 79 HA TYR 79 -3.408 -1.084 9.065 619 HB2 TYR 79 1HB TYR 79 -0.635 0.045 9.498 620 HB3 TYR 79 2HB TYR 79 -2.104 0.635 10.266 621 HD1 TYR 79 1HD TYR 79 0.253 -2.196 10.083 622 HD2 TYR 79 2HD TYR 79 -3.053 -0.489 12.146 623 HE1 TYR 79 1HE TYR 79 0.566 -3.812 11.910 624 HE2 TYR 79 2HE TYR 79 -2.748 -2.099 13.980 625 HH TYR 79 HH TYR 79 -1.566 -4.645 14.014 626 H PHE 80 H PHE 80 -4.569 0.452 8.107 627 HA PHE 80 HA PHE 80 -4.027 1.429 5.570 628 HB2 PHE 80 1HB PHE 80 -5.945 2.139 7.727 629 HB3 PHE 80 2HB PHE 80 -5.725 3.313 6.432 630 HD1 PHE 80 2HD PHE 80 -6.900 -0.049 7.278 631 HD2 PHE 80 1HD PHE 80 -6.473 2.855 4.196 632 HE1 PHE 80 2HE PHE 80 -8.447 -1.333 5.859 633 HE2 PHE 80 1HE PHE 80 -8.020 1.576 2.772 634 HZ PHE 80 HZ PHE 80 -9.009 -0.522 3.603 635 H ALA 81 H ALA 81 -2.310 2.608 5.028 636 HA ALA 81 HA ALA 81 -0.759 4.199 6.676 637 HB1 ALA 81 1HB ALA 81 0.067 3.493 4.544 638 HB2 ALA 81 2HB ALA 81 -1.196 4.390 3.702 639 HB3 ALA 81 3HB ALA 81 0.064 5.256 4.577 640 H GLN 82 H GLN 82 -0.823 6.267 7.375 641 HA GLN 82 HA GLN 82 -2.337 8.334 6.195 642 HB2 GLN 82 1HB GLN 82 -4.281 7.200 7.020 643 HB3 GLN 82 2HB GLN 82 -3.552 6.985 8.605 644 HG2 GLN 82 1HG GLN 82 -3.471 9.673 8.390 645 HG3 GLN 82 2HG GLN 82 -4.918 9.312 7.450 646 HE21 GLN 82 2HE2 GLN 82 -5.000 10.754 9.808 647 HE22 GLN 82 1HE2 GLN 82 -5.832 9.829 11.007 648 H THR 83 H THR 83 -0.324 9.351 6.503 649 HA THR 83 HA THR 83 -0.013 10.511 9.161 650 HB THR 83 HB THR 83 2.491 10.181 9.021 651 HG1 THR 83 1HG THR 83 1.638 8.659 6.830 652 HG21 THR 83 1HG2 THR 83 0.752 7.729 9.313 653 HG22 THR 83 2HG2 THR 83 1.144 8.893 10.579 654 HG23 THR 83 3HG2 THR 83 2.410 7.875 9.894 655 H LEU 84 H LEU 84 -1.017 12.166 7.624 656 HA LEU 84 HA LEU 84 1.110 13.935 6.754 657 HB2 LEU 84 1HB LEU 84 0.012 14.345 4.560 658 HB3 LEU 84 2HB LEU 84 0.752 12.753 4.721 659 HG LEU 84 HG LEU 84 -2.122 12.892 5.365 660 HD11 LEU 84 1HD1 LEU 84 -1.534 12.781 2.472 661 HD12 LEU 84 2HD1 LEU 84 -1.484 14.371 3.232 662 HD13 LEU 84 3HD1 LEU 84 -2.950 13.395 3.323 663 HD21 LEU 84 1HD2 LEU 84 -2.125 10.789 4.129 664 HD22 LEU 84 2HD2 LEU 84 -0.864 10.798 5.362 665 HD23 LEU 84 3HD2 LEU 84 -0.443 11.048 3.666 666 H HIS 85 H HIS 85 0.418 15.267 8.441 667 HA HIS 85 HA HIS 85 -0.777 16.928 9.439 668 HB2 HIS 85 1HB HIS 85 -1.524 17.157 6.559 669 HB3 HIS 85 2HB HIS 85 -2.432 18.107 7.732 670 HD1 HIS 85 1HD HIS 85 -1.525 20.385 7.147 671 HD2 HIS 85 2HD HIS 85 1.467 17.612 7.934 672 HE1 HIS 85 1HE HIS 85 0.609 21.709 7.245 673 H ILE 86 H ILE 86 -2.990 17.638 10.088 674 HA ILE 86 HA ILE 86 -5.143 15.766 9.584 675 HB ILE 86 HB ILE 86 -3.763 14.779 11.464 676 HG12 ILE 86 1HG1 ILE 86 -5.858 14.478 12.948 677 HG13 ILE 86 2HG1 ILE 86 -6.671 15.494 11.762 678 HG21 ILE 86 1HG2 ILE 86 -3.575 17.248 12.435 679 HG22 ILE 86 2HG2 ILE 86 -5.003 16.722 13.327 680 HG23 ILE 86 3HG2 ILE 86 -3.495 15.820 13.468 681 HD11 ILE 86 1HD1 ILE 86 -5.169 13.289 10.586 682 HD12 ILE 86 2HD1 ILE 86 -6.479 12.783 11.654 683 HD13 ILE 86 3HD1 ILE 86 -6.816 13.836 10.282 684 H GLY 87 H GLY 87 -7.044 16.795 9.590 685 HA2 GLY 87 1HA GLY 87 -8.571 18.500 9.775 686 HA3 GLY 87 2HA GLY 87 -7.919 18.715 11.393 687 H SER 88 H SER 88 -7.018 19.425 8.016 688 HA SER 88 HA SER 88 -5.619 21.821 8.884 689 HB2 SER 88 1HB SER 88 -4.773 21.960 6.655 690 HB3 SER 88 2HB SER 88 -4.731 20.253 7.097 691 HG SER 88 HG SER 88 -6.642 21.572 5.469 692 H SER 89 H SER 89 -5.982 23.857 7.600 693 HA SER 89 HA SER 89 -8.832 24.228 6.965 694 HB2 SER 89 1HB SER 89 -7.969 25.133 9.267 695 HB3 SER 89 2HB SER 89 -7.263 26.417 8.287 696 HG SER 89 HG SER 89 -9.462 26.634 7.389 697 H HIS 90 H HIS 90 -5.534 25.450 6.591 698 HA HIS 90 HA HIS 90 -4.485 26.510 4.873 699 HB2 HIS 90 1HB HIS 90 -6.611 24.955 3.593 700 HB3 HIS 90 2HB HIS 90 -6.117 26.360 2.654 701 HD1 HIS 90 1HD HIS 90 -5.301 22.925 3.110 702 HD2 HIS 90 2HD HIS 90 -3.107 26.378 2.386 703 HE1 HIS 90 1HE HIS 90 -3.090 22.139 2.205 704 H LEU 91 H LEU 91 -4.444 28.508 3.770 705 HA LEU 91 HA LEU 91 -6.850 30.150 3.821 706 HB2 LEU 91 1HB LEU 91 -4.694 30.378 5.728 707 HB3 LEU 91 2HB LEU 91 -4.869 31.860 4.790 708 HG LEU 91 HG LEU 91 -7.456 31.051 5.646 709 HD11 LEU 91 1HD1 LEU 91 -5.892 29.848 7.367 710 HD12 LEU 91 2HD1 LEU 91 -7.322 30.726 7.912 711 HD13 LEU 91 3HD1 LEU 91 -5.729 31.472 8.037 712 HD21 LEU 91 1HD2 LEU 91 -7.311 33.291 5.398 713 HD22 LEU 91 2HD2 LEU 91 -5.621 33.348 5.899 714 HD23 LEU 91 3HD2 LEU 91 -6.898 33.233 7.112 715 H ALA 92 H ALA 92 -6.936 30.652 1.720 716 HA ALA 92 HA ALA 92 -5.045 32.441 0.594 717 HB1 ALA 92 1HB ALA 92 -4.816 30.502 -1.365 718 HB2 ALA 92 2HB ALA 92 -3.565 30.990 -0.221 719 HB3 ALA 92 3HB ALA 92 -4.603 29.611 0.142 720 HA PRO 93 HA PRO 93 -8.479 33.418 -1.958 721 HB2 PRO 93 1HB PRO 93 -7.261 34.351 -4.197 722 HB3 PRO 93 2HB PRO 93 -7.289 35.248 -2.675 723 HG2 PRO 93 1HG PRO 93 -5.114 33.545 -3.830 724 HG3 PRO 93 2HG PRO 93 -4.993 35.122 -3.029 725 HD2 PRO 93 1HD PRO 93 -4.433 32.796 -1.760 726 HD3 PRO 93 2HD PRO 93 -5.121 34.201 -0.919 727 HA PRO 94 HA PRO 94 -9.426 30.102 -4.694 728 HB2 PRO 94 1HB PRO 94 -11.217 31.296 -6.348 729 HB3 PRO 94 2HB PRO 94 -11.592 30.867 -4.674 730 HG2 PRO 94 1HG PRO 94 -10.804 33.519 -5.821 731 HG3 PRO 94 2HG PRO 94 -12.059 33.145 -4.625 732 HD2 PRO 94 1HD PRO 94 -9.631 34.124 -3.933 733 HD3 PRO 94 2HD PRO 94 -10.545 33.014 -2.892 734 H ASN 95 H ASN 95 -7.482 29.745 -5.787 735 HA ASN 95 HA ASN 95 -6.242 31.265 -7.690 736 HB2 ASN 95 1HB ASN 95 -6.534 28.253 -7.670 737 HB3 ASN 95 2HB ASN 95 -5.349 29.143 -8.621 738 HD21 ASN 95 2HD2 ASN 95 -3.445 29.539 -7.735 739 HD22 ASN 95 1HD2 ASN 95 -3.060 29.370 -6.060 740 HA PRO 96 HA PRO 96 -8.998 31.541 -11.115 741 HB2 PRO 96 1HB PRO 96 -7.193 32.158 -13.047 742 HB3 PRO 96 2HB PRO 96 -7.709 33.312 -11.812 743 HG2 PRO 96 1HG PRO 96 -5.232 31.634 -11.920 744 HG3 PRO 96 2HG PRO 96 -5.412 33.335 -11.454 745 HD2 PRO 96 1HD PRO 96 -5.182 31.343 -9.634 746 HD3 PRO 96 2HD PRO 96 -6.138 32.807 -9.331 747 H ASP 97 H ASP 97 -9.663 30.394 -12.936 748 HA ASP 97 HA ASP 97 -7.999 28.273 -14.000 749 HB2 ASP 97 1HB ASP 97 -9.765 26.540 -13.592 750 HB3 ASP 97 2HB ASP 97 -8.952 27.100 -12.133 751 H LYS 98 H LYS 98 -9.207 27.068 -15.768 752 HA LYS 98 HA LYS 98 -11.482 28.341 -16.951 753 HB2 LYS 98 1HB LYS 98 -9.588 29.903 -17.518 754 HB3 LYS 98 2HB LYS 98 -8.867 28.592 -18.442 755 HG2 LYS 98 1HG LYS 98 -11.663 29.144 -19.115 756 HG3 LYS 98 2HG LYS 98 -10.549 30.472 -19.449 757 HD2 LYS 98 1HD LYS 98 -9.176 29.053 -20.816 758 HD3 LYS 98 2HD LYS 98 -10.116 27.629 -20.361 759 HE2 LYS 98 1HE LYS 98 -10.919 28.198 -22.483 760 HE3 LYS 98 2HE LYS 98 -12.118 28.859 -21.374 761 HZ1 LYS 98 1HZ LYS 98 -10.234 30.843 -21.737 762 HZ2 LYS 98 2HZ LYS 98 -11.806 30.804 -22.358 763 HZ3 LYS 98 3HZ LYS 98 -10.518 30.210 -23.280 764 H SER 99 H SER 99 -12.332 26.267 -16.989 765 HA SER 99 HA SER 99 -11.201 24.522 -19.065 766 HB2 SER 99 1HB SER 99 -12.279 23.558 -16.405 767 HB3 SER 99 2HB SER 99 -11.675 22.540 -17.712 768 HG SER 99 HG SER 99 -9.708 24.065 -17.350 769 H GLY 100 H GLY 100 -12.649 23.870 -20.529 770 HA2 GLY 100 1HA GLY 100 -15.369 24.763 -20.329 771 HA3 GLY 100 2HA GLY 100 -14.665 23.854 -21.658 772 HA PRO 101 HA PRO 101 -17.257 21.206 -18.573 773 HB2 PRO 101 1HB PRO 101 -19.762 21.500 -19.576 774 HB3 PRO 101 2HB PRO 101 -19.120 22.519 -18.283 775 HG2 PRO 101 1HG PRO 101 -19.336 23.089 -21.213 776 HG3 PRO 101 2HG PRO 101 -19.691 24.150 -19.838 777 HD2 PRO 101 1HD PRO 101 -17.383 24.312 -21.243 778 HD3 PRO 101 2HD PRO 101 -17.472 24.676 -19.508 779 H SER 102 H SER 102 -17.894 19.117 -19.087 780 HA SER 102 HA SER 102 -17.726 18.418 -21.944 781 HB2 SER 102 1HB SER 102 -15.993 17.573 -20.104 782 HB3 SER 102 2HB SER 102 -17.243 16.357 -19.844 783 HG SER 102 HG SER 102 -16.053 15.487 -21.421 784 H SER 103 H SER 103 -19.236 17.479 -18.868 785 HA SER 103 HA SER 103 -21.701 16.865 -20.288 786 HB2 SER 103 1HB SER 103 -20.045 14.779 -19.893 787 HB3 SER 103 2HB SER 103 -20.885 14.776 -18.342 788 HG SER 103 HG SER 103 -22.854 14.934 -19.775 789 H GLY 104 H GLY 104 -23.301 17.801 -19.214 790 HA2 GLY 104 1HA GLY 104 -23.264 17.765 -16.278 791 HA3 GLY 104 2HA GLY 104 -23.412 19.315 -17.094 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -4.984 14.983 -14.194 2 HA2 GLY 1 1HA GLY 1 -3.616 14.990 -12.325 3 HA3 GLY 1 2HA GLY 1 -4.362 16.501 -11.827 4 H SER 2 H SER 2 -4.893 13.002 -11.972 5 HA SER 2 HA SER 2 -7.141 13.006 -10.238 6 HB2 SER 2 1HB SER 2 -6.738 10.556 -10.091 7 HB3 SER 2 2HB SER 2 -6.754 11.144 -11.753 8 HG SER 2 HG SER 2 -4.674 10.727 -11.939 9 H SER 3 H SER 3 -7.303 12.712 -8.062 10 HA SER 3 HA SER 3 -4.775 12.757 -6.546 11 HB2 SER 3 1HB SER 3 -5.843 14.107 -4.873 12 HB3 SER 3 2HB SER 3 -6.179 14.850 -6.436 13 HG SER 3 HG SER 3 -7.896 13.707 -4.623 14 H GLY 4 H GLY 4 -4.483 11.319 -4.918 15 HA2 GLY 4 1HA GLY 4 -6.251 10.031 -3.319 16 HA3 GLY 4 2HA GLY 4 -6.303 9.081 -4.798 17 H SER 5 H SER 5 -5.172 8.802 -1.904 18 HA SER 5 HA SER 5 -2.424 8.060 -2.586 19 HB2 SER 5 1HB SER 5 -3.791 8.165 0.114 20 HB3 SER 5 2HB SER 5 -2.080 7.844 -0.163 21 HG SER 5 HG SER 5 -2.335 10.019 -1.381 22 H SER 6 H SER 6 -4.954 6.618 -0.527 23 HA SER 6 HA SER 6 -5.558 4.455 -0.156 24 HB2 SER 6 1HB SER 6 -4.728 4.012 -3.031 25 HB3 SER 6 2HB SER 6 -5.878 3.054 -2.096 26 HG SER 6 HG SER 6 -6.616 4.859 -3.627 27 H GLY 7 H GLY 7 -3.102 4.981 0.836 28 HA2 GLY 7 1HA GLY 7 -1.237 2.945 -0.089 29 HA3 GLY 7 2HA GLY 7 -0.941 4.137 1.167 30 H LEU 8 H LEU 8 -0.169 1.527 1.522 31 HA LEU 8 HA LEU 8 -1.813 0.789 3.809 32 HB2 LEU 8 1HB LEU 8 -1.377 -0.901 1.393 33 HB3 LEU 8 2HB LEU 8 -1.461 -1.676 2.974 34 HG LEU 8 HG LEU 8 -3.635 0.092 1.862 35 HD11 LEU 8 1HD1 LEU 8 -4.527 -1.617 0.738 36 HD12 LEU 8 2HD1 LEU 8 -4.164 -2.770 2.022 37 HD13 LEU 8 3HD1 LEU 8 -2.927 -2.351 0.838 38 HD21 LEU 8 1HD2 LEU 8 -4.238 -1.970 3.851 39 HD22 LEU 8 2HD2 LEU 8 -4.760 -0.288 3.762 40 HD23 LEU 8 3HD2 LEU 8 -3.178 -0.686 4.433 41 H ILE 9 H ILE 9 -0.578 0.290 5.501 42 HA ILE 9 HA ILE 9 2.291 -0.067 5.068 43 HB ILE 9 HB ILE 9 0.793 0.399 7.649 44 HG12 ILE 9 1HG1 ILE 9 0.833 2.249 5.833 45 HG13 ILE 9 2HG1 ILE 9 1.295 2.677 7.476 46 HG21 ILE 9 1HG2 ILE 9 2.767 -0.591 8.317 47 HG22 ILE 9 2HG2 ILE 9 3.683 0.084 6.971 48 HG23 ILE 9 3HG2 ILE 9 3.205 1.117 8.318 49 HD11 ILE 9 1HD1 ILE 9 3.215 2.042 5.249 50 HD12 ILE 9 2HD1 ILE 9 2.773 3.660 5.793 51 HD13 ILE 9 3HD1 ILE 9 3.632 2.569 6.879 52 H ALA 10 H ALA 10 2.587 -2.188 4.539 53 HA ALA 10 HA ALA 10 1.350 -4.275 6.143 54 HB1 ALA 10 1HB ALA 10 3.232 -5.345 4.304 55 HB2 ALA 10 2HB ALA 10 1.471 -5.431 4.255 56 HB3 ALA 10 3HB ALA 10 2.309 -4.086 3.483 57 H CYS 11 H CYS 11 2.355 -5.475 7.657 58 HA CYS 11 HA CYS 11 5.205 -4.914 8.148 59 HB2 CYS 11 1HB CYS 11 3.210 -4.326 9.851 60 HB3 CYS 11 2HB CYS 11 3.520 -5.986 10.344 61 HG CYS 11 HG CYS 11 5.081 -4.881 12.136 62 H VAL 12 H VAL 12 6.373 -6.567 7.414 63 HA VAL 12 HA VAL 12 5.330 -9.295 7.672 64 HB VAL 12 HB VAL 12 7.908 -8.914 6.306 65 HG11 VAL 12 1HG1 VAL 12 5.329 -10.305 5.589 66 HG12 VAL 12 2HG1 VAL 12 6.827 -10.398 4.660 67 HG13 VAL 12 3HG1 VAL 12 6.762 -11.046 6.299 68 HG21 VAL 12 1HG2 VAL 12 7.035 -6.910 5.469 69 HG22 VAL 12 2HG2 VAL 12 6.657 -8.101 4.224 70 HG23 VAL 12 3HG2 VAL 12 5.403 -7.569 5.344 71 H ALA 13 H ALA 13 6.492 -10.936 8.677 72 HA ALA 13 HA ALA 13 8.469 -9.998 10.629 73 HB1 ALA 13 1HB ALA 13 7.397 -12.749 10.801 74 HB2 ALA 13 2HB ALA 13 7.711 -11.568 12.074 75 HB3 ALA 13 3HB ALA 13 6.259 -11.432 11.083 76 H ASN 14 H ASN 14 8.145 -11.908 7.796 77 HA ASN 14 HA ASN 14 10.453 -13.556 8.227 78 HB2 ASN 14 1HB ASN 14 8.406 -13.231 6.165 79 HB3 ASN 14 2HB ASN 14 10.006 -13.547 5.499 80 HD21 ASN 14 2HD2 ASN 14 7.691 -15.248 5.437 81 HD22 ASN 14 1HD2 ASN 14 8.121 -16.708 6.254 82 H ASP 15 H ASP 15 12.349 -12.525 8.457 83 HA ASP 15 HA ASP 15 13.071 -10.094 7.276 84 HB2 ASP 15 1HB ASP 15 14.909 -12.318 8.186 85 HB3 ASP 15 2HB ASP 15 15.357 -10.632 7.952 86 H ASP 16 H ASP 16 12.780 -13.171 5.899 87 HA ASP 16 HA ASP 16 14.793 -12.941 3.885 88 HB2 ASP 16 1HB ASP 16 12.319 -14.681 3.957 89 HB3 ASP 16 2HB ASP 16 13.674 -14.869 2.848 90 H VAL 17 H VAL 17 11.529 -11.834 4.231 91 HA VAL 17 HA VAL 17 10.867 -11.466 1.519 92 HB VAL 17 HB VAL 17 9.913 -10.063 4.009 93 HG11 VAL 17 1HG1 VAL 17 9.211 -9.594 1.143 94 HG12 VAL 17 2HG1 VAL 17 7.990 -9.380 2.399 95 HG13 VAL 17 3HG1 VAL 17 9.473 -8.426 2.438 96 HG21 VAL 17 1HG2 VAL 17 7.784 -11.359 3.176 97 HG22 VAL 17 2HG2 VAL 17 8.982 -12.359 2.354 98 HG23 VAL 17 3HG2 VAL 17 9.036 -12.181 4.107 99 H PHE 18 H PHE 18 13.062 -9.821 3.552 100 HA PHE 18 HA PHE 18 13.029 -7.374 1.979 101 HB2 PHE 18 1HB PHE 18 14.726 -8.210 4.340 102 HB3 PHE 18 2HB PHE 18 14.803 -6.632 3.560 103 HD1 PHE 18 2HD PHE 18 12.679 -8.888 5.554 104 HD2 PHE 18 1HD PHE 18 13.201 -4.953 4.020 105 HE1 PHE 18 2HE PHE 18 10.876 -8.081 7.021 106 HE2 PHE 18 1HE PHE 18 11.399 -4.139 5.486 107 HZ PHE 18 HZ PHE 18 10.234 -5.704 6.987 108 H SER 19 H SER 19 13.897 -10.085 0.949 109 HA SER 19 HA SER 19 16.594 -9.303 0.052 110 HB2 SER 19 1HB SER 19 16.346 -11.439 1.457 111 HB3 SER 19 2HB SER 19 15.555 -12.134 0.043 112 HG SER 19 HG SER 19 18.060 -12.169 0.444 113 H GLU 20 H GLU 20 17.158 -9.794 -2.138 114 HA GLU 20 HA GLU 20 14.910 -9.460 -3.940 115 HB2 GLU 20 1HB GLU 20 16.659 -9.138 -5.669 116 HB3 GLU 20 2HB GLU 20 16.834 -8.047 -4.301 117 HG2 GLU 20 1HG GLU 20 18.897 -8.748 -3.952 118 HG3 GLU 20 2HG GLU 20 18.344 -10.415 -3.804 119 H SER 21 H SER 21 16.591 -12.034 -2.654 120 HA SER 21 HA SER 21 17.119 -13.828 -4.623 121 HB2 SER 21 1HB SER 21 16.396 -13.988 -1.824 122 HB3 SER 21 2HB SER 21 15.733 -15.355 -2.720 123 HG SER 21 HG SER 21 17.818 -15.812 -3.468 124 H GLU 22 H GLU 22 13.989 -13.997 -2.936 125 HA GLU 22 HA GLU 22 12.441 -13.885 -5.318 126 HB2 GLU 22 1HB GLU 22 13.573 -16.415 -4.688 127 HB3 GLU 22 2HB GLU 22 11.848 -16.511 -4.365 128 HG2 GLU 22 1HG GLU 22 11.325 -16.493 -6.529 129 HG3 GLU 22 2HG GLU 22 12.470 -15.203 -6.890 130 H THR 23 H THR 23 12.587 -15.159 -2.013 131 HA THR 23 HA THR 23 10.040 -15.373 -1.226 132 HB THR 23 HB THR 23 11.947 -13.712 0.419 133 HG1 THR 23 1HG THR 23 12.995 -15.559 0.970 134 HG21 THR 23 1HG2 THR 23 9.391 -14.536 0.942 135 HG22 THR 23 2HG2 THR 23 10.603 -14.158 2.167 136 HG23 THR 23 3HG2 THR 23 10.348 -15.830 1.664 137 H ARG 24 H ARG 24 11.649 -12.353 -1.997 138 HA ARG 24 HA ARG 24 9.735 -10.575 -0.969 139 HB2 ARG 24 1HB ARG 24 11.860 -9.706 -1.596 140 HB3 ARG 24 2HB ARG 24 11.709 -10.331 -3.233 141 HG2 ARG 24 1HG ARG 24 10.327 -8.638 -3.904 142 HG3 ARG 24 2HG ARG 24 9.704 -8.356 -2.277 143 HD2 ARG 24 1HD ARG 24 11.050 -6.496 -2.697 144 HD3 ARG 24 2HD ARG 24 12.071 -7.550 -1.719 145 HE ARG 24 HE ARG 24 13.511 -7.681 -3.480 146 HH11 ARG 24 2HH1 ARG 24 10.387 -6.714 -4.675 147 HH12 ARG 24 1HH1 ARG 24 10.939 -6.471 -6.299 148 HH21 ARG 24 2HH2 ARG 24 14.250 -7.364 -5.614 149 HH22 ARG 24 1HH2 ARG 24 13.136 -6.841 -6.833 150 H ALA 25 H ALA 25 10.201 -11.503 -4.385 151 HA ALA 25 HA ALA 25 8.126 -10.397 -5.631 152 HB1 ALA 25 1HB ALA 25 8.369 -13.315 -6.122 153 HB2 ALA 25 2HB ALA 25 8.328 -11.973 -7.266 154 HB3 ALA 25 3HB ALA 25 9.802 -12.315 -6.360 155 H LYS 26 H LYS 26 7.767 -13.551 -3.995 156 HA LYS 26 HA LYS 26 5.120 -14.014 -4.266 157 HB2 LYS 26 1HB LYS 26 6.734 -14.360 -1.733 158 HB3 LYS 26 2HB LYS 26 5.172 -15.111 -2.034 159 HG2 LYS 26 1HG LYS 26 6.249 -16.831 -2.915 160 HG3 LYS 26 2HG LYS 26 6.747 -15.778 -4.240 161 HD2 LYS 26 1HD LYS 26 8.640 -15.056 -2.618 162 HD3 LYS 26 2HD LYS 26 8.249 -16.554 -1.770 163 HE2 LYS 26 1HE LYS 26 9.108 -16.261 -4.645 164 HE3 LYS 26 2HE LYS 26 10.041 -16.967 -3.326 165 HZ1 LYS 26 1HZ LYS 26 8.037 -18.563 -3.156 166 HZ2 LYS 26 2HZ LYS 26 9.185 -18.810 -4.373 167 HZ3 LYS 26 3HZ LYS 26 7.709 -18.071 -4.741 168 H PHE 27 H PHE 27 6.564 -11.891 -1.810 169 HA PHE 27 HA PHE 27 4.140 -11.140 -0.586 170 HB2 PHE 27 1HB PHE 27 6.179 -10.757 0.600 171 HB3 PHE 27 2HB PHE 27 6.836 -9.789 -0.715 172 HD1 PHE 27 1HD PHE 27 5.651 -7.589 -1.261 173 HD2 PHE 27 2HD PHE 27 5.053 -9.747 2.358 174 HE1 PHE 27 1HE PHE 27 4.789 -5.548 -0.190 175 HE2 PHE 27 2HE PHE 27 4.189 -7.710 3.435 176 HZ PHE 27 HZ PHE 27 4.055 -5.608 2.160 177 H GLU 28 H GLU 28 5.904 -9.863 -3.341 178 HA GLU 28 HA GLU 28 4.316 -7.505 -3.612 179 HB2 GLU 28 1HB GLU 28 6.574 -8.727 -4.969 180 HB3 GLU 28 2HB GLU 28 5.418 -8.057 -6.112 181 HG2 GLU 28 1HG GLU 28 5.514 -5.920 -4.789 182 HG3 GLU 28 2HG GLU 28 6.870 -6.623 -3.908 183 H SER 29 H SER 29 4.551 -10.413 -5.668 184 HA SER 29 HA SER 29 2.565 -10.046 -7.433 185 HB2 SER 29 1HB SER 29 3.927 -12.113 -7.269 186 HB3 SER 29 2HB SER 29 2.949 -12.627 -5.894 187 HG SER 29 HG SER 29 2.071 -12.198 -8.558 188 H LEU 30 H LEU 30 2.145 -10.622 -4.018 189 HA LEU 30 HA LEU 30 -0.569 -11.300 -3.976 190 HB2 LEU 30 1HB LEU 30 1.183 -9.887 -1.985 191 HB3 LEU 30 2HB LEU 30 -0.501 -10.287 -1.649 192 HG LEU 30 HG LEU 30 1.575 -12.350 -2.361 193 HD11 LEU 30 1HD1 LEU 30 2.137 -12.643 -0.172 194 HD12 LEU 30 2HD1 LEU 30 0.613 -11.987 0.425 195 HD13 LEU 30 3HD1 LEU 30 1.864 -10.900 -0.175 196 HD21 LEU 30 1HD2 LEU 30 -1.290 -12.362 -1.744 197 HD22 LEU 30 2HD2 LEU 30 -0.342 -13.543 -0.842 198 HD23 LEU 30 3HD2 LEU 30 -0.307 -13.545 -2.606 199 H PHE 31 H PHE 31 0.954 -8.104 -3.562 200 HA PHE 31 HA PHE 31 -1.611 -6.781 -3.741 201 HB2 PHE 31 1HB PHE 31 1.090 -5.442 -3.750 202 HB3 PHE 31 2HB PHE 31 -0.454 -4.775 -3.227 203 HD1 PHE 31 1HD PHE 31 2.185 -7.215 -2.376 204 HD2 PHE 31 2HD PHE 31 -1.208 -5.035 -1.013 205 HE1 PHE 31 1HE PHE 31 2.682 -7.893 -0.063 206 HE2 PHE 31 2HE PHE 31 -0.715 -5.708 1.302 207 HZ PHE 31 HZ PHE 31 1.232 -7.138 1.778 208 H ARG 32 H ARG 32 1.380 -6.889 -5.660 209 HA ARG 32 HA ARG 32 0.740 -5.183 -7.705 210 HB2 ARG 32 1HB ARG 32 2.766 -6.952 -7.234 211 HB3 ARG 32 2HB ARG 32 1.976 -7.691 -8.619 212 HG2 ARG 32 1HG ARG 32 2.848 -4.816 -8.555 213 HG3 ARG 32 2HG ARG 32 3.858 -6.133 -9.157 214 HD2 ARG 32 1HD ARG 32 2.109 -6.691 -10.798 215 HD3 ARG 32 2HD ARG 32 1.150 -5.332 -10.214 216 HE ARG 32 HE ARG 32 2.429 -3.963 -11.508 217 HH11 ARG 32 2HH1 ARG 32 4.214 -6.889 -10.900 218 HH12 ARG 32 1HH1 ARG 32 5.539 -6.447 -11.925 219 HH21 ARG 32 2HH2 ARG 32 4.167 -3.370 -12.860 220 HH22 ARG 32 1HH2 ARG 32 5.512 -4.445 -13.039 221 H THR 33 H THR 33 -0.045 -8.650 -7.536 222 HA THR 33 HA THR 33 -1.251 -9.136 -9.893 223 HB THR 33 HB THR 33 -2.085 -9.991 -7.134 224 HG1 THR 33 1HG THR 33 -0.179 -10.765 -8.599 225 HG21 THR 33 1HG2 THR 33 -4.144 -10.360 -7.999 226 HG22 THR 33 2HG2 THR 33 -3.363 -11.771 -8.712 227 HG23 THR 33 3HG2 THR 33 -3.570 -10.301 -9.664 228 H TYR 34 H TYR 34 -2.668 -7.309 -7.221 229 HA TYR 34 HA TYR 34 -5.220 -6.979 -8.429 230 HB2 TYR 34 1HB TYR 34 -4.003 -5.140 -6.373 231 HB3 TYR 34 2HB TYR 34 -5.708 -5.487 -6.645 232 HD1 TYR 34 1HD TYR 34 -5.879 -8.355 -6.693 233 HD2 TYR 34 2HD TYR 34 -3.423 -5.874 -4.262 234 HE1 TYR 34 1HE TYR 34 -5.793 -10.124 -4.986 235 HE2 TYR 34 2HE TYR 34 -3.329 -7.636 -2.548 236 HH TYR 34 HH TYR 34 -5.395 -10.287 -2.524 237 H ASP 35 H ASP 35 -2.853 -4.421 -7.701 238 HA ASP 35 HA ASP 35 -3.702 -3.060 -10.168 239 HB2 ASP 35 1HB ASP 35 -3.780 -2.048 -7.683 240 HB3 ASP 35 2HB ASP 35 -2.132 -1.597 -8.115 241 H LYS 36 H LYS 36 -2.157 -2.145 -11.549 242 HA LYS 36 HA LYS 36 0.430 -3.495 -11.465 243 HB2 LYS 36 1HB LYS 36 -0.910 -1.884 -13.645 244 HB3 LYS 36 2HB LYS 36 0.661 -2.660 -13.798 245 HG2 LYS 36 1HG LYS 36 -1.212 -4.600 -12.898 246 HG3 LYS 36 2HG LYS 36 -1.896 -3.754 -14.288 247 HD2 LYS 36 1HD LYS 36 0.483 -4.130 -15.311 248 HD3 LYS 36 2HD LYS 36 0.582 -5.412 -14.100 249 HE2 LYS 36 1HE LYS 36 -0.265 -6.511 -15.962 250 HE3 LYS 36 2HE LYS 36 -1.713 -6.146 -15.024 251 HZ1 LYS 36 1HZ LYS 36 -2.258 -4.379 -16.453 252 HZ2 LYS 36 2HZ LYS 36 -1.826 -5.658 -17.473 253 HZ3 LYS 36 3HZ LYS 36 -0.741 -4.390 -17.201 254 H ASP 37 H ASP 37 -0.980 -0.343 -11.132 255 HA ASP 37 HA ASP 37 1.600 0.995 -11.298 256 HB2 ASP 37 1HB ASP 37 -1.187 1.792 -11.503 257 HB3 ASP 37 2HB ASP 37 -0.286 2.850 -10.420 258 H THR 38 H THR 38 0.492 -0.907 -9.081 259 HA THR 38 HA THR 38 0.448 0.689 -6.714 260 HB THR 38 HB THR 38 1.041 -1.790 -5.777 261 HG1 THR 38 1HG THR 38 -0.511 -2.971 -7.437 262 HG21 THR 38 1HG2 THR 38 -1.562 -2.114 -5.962 263 HG22 THR 38 2HG2 THR 38 -1.514 -0.451 -6.547 264 HG23 THR 38 3HG2 THR 38 -0.886 -0.842 -4.946 265 H THR 39 H THR 39 2.125 1.582 -5.728 266 HA THR 39 HA THR 39 4.827 0.762 -6.423 267 HB THR 39 HB THR 39 5.547 2.730 -5.121 268 HG1 THR 39 1HG THR 39 4.173 3.797 -3.882 269 HG21 THR 39 1HG2 THR 39 5.179 4.073 -6.882 270 HG22 THR 39 2HG2 THR 39 3.428 3.978 -6.700 271 HG23 THR 39 3HG2 THR 39 4.295 2.710 -7.565 272 H PHE 40 H PHE 40 6.370 0.036 -4.964 273 HA PHE 40 HA PHE 40 5.329 -0.841 -2.350 274 HB2 PHE 40 1HB PHE 40 7.272 -2.271 -4.174 275 HB3 PHE 40 2HB PHE 40 6.875 -2.786 -2.538 276 HD1 PHE 40 1HD PHE 40 5.314 -2.062 -5.833 277 HD2 PHE 40 2HD PHE 40 5.107 -4.233 -2.178 278 HE1 PHE 40 1HE PHE 40 3.404 -3.344 -6.706 279 HE2 PHE 40 2HE PHE 40 3.197 -5.519 -3.045 280 HZ PHE 40 HZ PHE 40 2.343 -5.076 -5.313 281 H GLN 41 H GLN 41 6.464 -0.271 -0.598 282 HA GLN 41 HA GLN 41 9.179 0.798 -0.990 283 HB2 GLN 41 1HB GLN 41 6.816 2.059 0.199 284 HB3 GLN 41 2HB GLN 41 8.246 2.139 1.219 285 HG2 GLN 41 1HG GLN 41 9.472 3.310 -0.420 286 HG3 GLN 41 2HG GLN 41 8.268 2.975 -1.662 287 HE21 GLN 41 2HE2 GLN 41 6.050 3.848 -1.157 288 HE22 GLN 41 1HE2 GLN 41 5.975 5.436 -0.481 289 H TYR 42 H TYR 42 10.519 -0.619 -0.082 290 HA TYR 42 HA TYR 42 9.700 -2.039 2.340 291 HB2 TYR 42 1HB TYR 42 11.989 -2.455 0.414 292 HB3 TYR 42 2HB TYR 42 11.810 -3.367 1.908 293 HD1 TYR 42 2HD TYR 42 10.197 -2.639 -1.348 294 HD2 TYR 42 1HD TYR 42 10.352 -5.220 2.032 295 HE1 TYR 42 2HE TYR 42 8.729 -4.235 -2.508 296 HE2 TYR 42 1HE TYR 42 8.884 -6.825 0.881 297 HH TYR 42 HH TYR 42 7.046 -6.112 -1.697 298 H PHE 43 H PHE 43 10.476 -1.561 4.291 299 HA PHE 43 HA PHE 43 12.710 0.349 4.458 300 HB2 PHE 43 1HB PHE 43 10.511 -0.137 6.476 301 HB3 PHE 43 2HB PHE 43 11.779 1.079 6.594 302 HD1 PHE 43 1HD PHE 43 11.851 2.901 4.831 303 HD2 PHE 43 2HD PHE 43 8.507 0.326 5.384 304 HE1 PHE 43 1HE PHE 43 10.419 4.511 3.641 305 HE2 PHE 43 2HE PHE 43 7.070 1.931 4.195 306 HZ PHE 43 HZ PHE 43 8.026 4.026 3.321 307 H LYS 44 H LYS 44 14.464 -0.952 4.665 308 HA LYS 44 HA LYS 44 14.581 -3.373 6.065 309 HB2 LYS 44 1HB LYS 44 16.262 -2.198 4.398 310 HB3 LYS 44 2HB LYS 44 16.999 -1.627 5.889 311 HG2 LYS 44 1HG LYS 44 17.688 -3.713 6.515 312 HG3 LYS 44 2HG LYS 44 16.394 -4.526 5.632 313 HD2 LYS 44 1HD LYS 44 18.105 -5.029 4.228 314 HD3 LYS 44 2HD LYS 44 17.700 -3.444 3.565 315 HE2 LYS 44 1HE LYS 44 19.770 -3.875 5.710 316 HE3 LYS 44 2HE LYS 44 20.146 -3.845 3.988 317 HZ1 LYS 44 1HZ LYS 44 18.861 -1.622 5.479 318 HZ2 LYS 44 2HZ LYS 44 19.330 -1.599 3.855 319 HZ3 LYS 44 3HZ LYS 44 20.501 -1.691 5.072 320 H SER 45 H SER 45 15.096 -0.057 7.115 321 HA SER 45 HA SER 45 16.088 -0.760 9.703 322 HB2 SER 45 1HB SER 45 14.965 1.851 8.662 323 HB3 SER 45 2HB SER 45 15.773 1.649 10.216 324 HG SER 45 HG SER 45 16.845 1.500 7.618 325 H PHE 46 H PHE 46 12.989 0.572 8.555 326 HA PHE 46 HA PHE 46 11.747 0.163 11.125 327 HB2 PHE 46 1HB PHE 46 10.672 1.083 8.456 328 HB3 PHE 46 2HB PHE 46 9.673 0.923 9.897 329 HD1 PHE 46 2HD PHE 46 11.336 1.972 12.011 330 HD2 PHE 46 1HD PHE 46 10.880 3.329 8.002 331 HE1 PHE 46 2HE PHE 46 11.978 4.243 12.709 332 HE2 PHE 46 1HE PHE 46 11.523 5.601 8.695 333 HZ PHE 46 HZ PHE 46 12.072 6.060 11.051 334 H LYS 47 H LYS 47 12.591 -1.913 8.761 335 HA LYS 47 HA LYS 47 11.819 -3.920 7.966 336 HB2 LYS 47 1HB LYS 47 10.870 -4.098 10.832 337 HB3 LYS 47 2HB LYS 47 11.122 -5.459 9.747 338 HG2 LYS 47 1HG LYS 47 13.423 -3.653 10.154 339 HG3 LYS 47 2HG LYS 47 12.938 -4.648 11.528 340 HD2 LYS 47 1HD LYS 47 12.877 -6.509 9.602 341 HD3 LYS 47 2HD LYS 47 14.103 -5.436 8.922 342 HE2 LYS 47 1HE LYS 47 15.513 -6.631 10.203 343 HE3 LYS 47 2HE LYS 47 14.929 -5.585 11.495 344 HZ1 LYS 47 1HZ LYS 47 14.905 -8.050 11.946 345 HZ2 LYS 47 2HZ LYS 47 13.630 -8.163 10.842 346 HZ3 LYS 47 3HZ LYS 47 13.454 -7.230 12.242 347 H ARG 48 H ARG 48 10.029 -1.855 7.358 348 HA ARG 48 HA ARG 48 7.443 -3.254 7.570 349 HB2 ARG 48 1HB ARG 48 8.105 -0.338 7.762 350 HB3 ARG 48 2HB ARG 48 6.532 -0.835 7.154 351 HG2 ARG 48 1HG ARG 48 6.182 -2.117 9.244 352 HG3 ARG 48 2HG ARG 48 7.707 -1.471 9.851 353 HD2 ARG 48 1HD ARG 48 5.870 0.562 8.819 354 HD3 ARG 48 2HD ARG 48 5.249 -0.329 10.208 355 HE ARG 48 HE ARG 48 7.929 0.562 10.614 356 HH11 ARG 48 2HH1 ARG 48 4.596 1.567 10.678 357 HH12 ARG 48 1HH1 ARG 48 4.865 2.835 11.827 358 HH21 ARG 48 2HH2 ARG 48 8.296 2.229 12.126 359 HH22 ARG 48 1HH2 ARG 48 6.970 3.212 12.649 360 H VAL 49 H VAL 49 5.904 -2.340 5.764 361 HA VAL 49 HA VAL 49 7.332 -1.899 3.254 362 HB VAL 49 HB VAL 49 5.281 -4.099 3.467 363 HG11 VAL 49 1HG1 VAL 49 5.418 -3.243 1.259 364 HG12 VAL 49 2HG1 VAL 49 7.182 -3.204 1.311 365 HG13 VAL 49 3HG1 VAL 49 6.334 -4.750 1.273 366 HG21 VAL 49 1HG2 VAL 49 8.250 -4.515 3.240 367 HG22 VAL 49 2HG2 VAL 49 7.407 -4.525 4.789 368 HG23 VAL 49 3HG2 VAL 49 6.998 -5.716 3.554 369 H ARG 50 H ARG 50 6.426 -0.017 2.682 370 HA ARG 50 HA ARG 50 3.564 0.401 3.056 371 HB2 ARG 50 1HB ARG 50 4.742 2.299 3.725 372 HB3 ARG 50 2HB ARG 50 5.882 2.182 2.392 373 HG2 ARG 50 1HG ARG 50 4.634 3.478 1.087 374 HG3 ARG 50 2HG ARG 50 3.163 2.582 1.471 375 HD2 ARG 50 1HD ARG 50 2.536 4.048 3.058 376 HD3 ARG 50 2HD ARG 50 4.183 4.265 3.648 377 HE ARG 50 HE ARG 50 2.795 5.929 1.796 378 HH11 ARG 50 2HH1 ARG 50 5.944 4.724 2.664 379 HH12 ARG 50 1HH1 ARG 50 6.791 6.078 1.990 380 HH21 ARG 50 2HH2 ARG 50 3.899 7.715 0.906 381 HH22 ARG 50 1HH2 ARG 50 5.626 7.780 0.991 382 H ILE 51 H ILE 51 2.211 -0.185 1.503 383 HA ILE 51 HA ILE 51 3.160 -0.166 -1.285 384 HB ILE 51 HB ILE 51 0.877 -1.730 -0.074 385 HG12 ILE 51 1HG1 ILE 51 2.974 -3.292 -1.297 386 HG13 ILE 51 2HG1 ILE 51 3.646 -2.236 -0.059 387 HG21 ILE 51 1HG2 ILE 51 0.738 -2.834 -2.252 388 HG22 ILE 51 2HG2 ILE 51 0.436 -1.103 -2.386 389 HG23 ILE 51 3HG2 ILE 51 1.995 -1.766 -2.874 390 HD11 ILE 51 1HD1 ILE 51 2.888 -3.552 1.546 391 HD12 ILE 51 2HD1 ILE 51 1.250 -3.494 0.895 392 HD13 ILE 51 3HD1 ILE 51 2.392 -4.698 0.300 393 H ASN 52 H ASN 52 2.416 1.412 -2.523 394 HA ASN 52 HA ASN 52 -0.037 2.810 -1.734 395 HB2 ASN 52 1HB ASN 52 2.417 3.792 -2.483 396 HB3 ASN 52 2HB ASN 52 1.499 3.915 -3.981 397 HD21 ASN 52 2HD2 ASN 52 2.445 6.128 -2.617 398 HD22 ASN 52 1HD2 ASN 52 1.103 7.024 -2.000 399 H PHE 53 H PHE 53 -1.849 2.729 -2.915 400 HA PHE 53 HA PHE 53 -1.755 1.227 -5.443 401 HB2 PHE 53 1HB PHE 53 -4.098 1.690 -3.585 402 HB3 PHE 53 2HB PHE 53 -4.127 0.723 -5.055 403 HD1 PHE 53 2HD PHE 53 -2.048 0.967 -1.961 404 HD2 PHE 53 1HD PHE 53 -4.061 -1.540 -4.750 405 HE1 PHE 53 2HE PHE 53 -1.371 -1.012 -0.666 406 HE2 PHE 53 1HE PHE 53 -3.388 -3.523 -3.459 407 HZ PHE 53 HZ PHE 53 -2.040 -3.260 -1.414 408 H SER 54 H SER 54 -3.669 1.849 -6.933 409 HA SER 54 HA SER 54 -3.447 4.718 -7.398 410 HB2 SER 54 1HB SER 54 -4.031 4.296 -9.623 411 HB3 SER 54 2HB SER 54 -3.122 2.852 -9.180 412 HG SER 54 HG SER 54 -5.081 2.340 -10.245 413 H ASN 55 H ASN 55 -5.659 2.460 -6.128 414 HA ASN 55 HA ASN 55 -7.680 4.551 -5.898 415 HB2 ASN 55 1HB ASN 55 -8.590 1.796 -6.661 416 HB3 ASN 55 2HB ASN 55 -9.439 3.330 -6.821 417 HD21 ASN 55 2HD2 ASN 55 -7.907 0.968 -8.484 418 HD22 ASN 55 1HD2 ASN 55 -7.473 1.845 -9.908 419 HA PRO 56 HA PRO 56 -7.928 3.018 -1.780 420 HB2 PRO 56 1HB PRO 56 -10.369 3.989 -1.099 421 HB3 PRO 56 2HB PRO 56 -8.937 5.013 -1.257 422 HG2 PRO 56 1HG PRO 56 -11.160 4.552 -3.207 423 HG3 PRO 56 2HG PRO 56 -10.359 6.071 -2.763 424 HD2 PRO 56 1HD PRO 56 -9.759 4.717 -5.030 425 HD3 PRO 56 2HD PRO 56 -8.554 5.667 -4.138 426 H LEU 57 H LEU 57 -9.692 1.808 -4.311 427 HA LEU 57 HA LEU 57 -11.556 0.198 -2.811 428 HB2 LEU 57 1HB LEU 57 -10.767 0.334 -5.704 429 HB3 LEU 57 2HB LEU 57 -11.846 -0.919 -5.093 430 HG LEU 57 HG LEU 57 -12.584 1.883 -4.483 431 HD11 LEU 57 1HD1 LEU 57 -12.975 0.729 -7.238 432 HD12 LEU 57 2HD1 LEU 57 -11.788 1.968 -6.835 433 HD13 LEU 57 3HD1 LEU 57 -13.509 2.304 -6.652 434 HD21 LEU 57 1HD2 LEU 57 -13.770 -0.545 -4.172 435 HD22 LEU 57 2HD2 LEU 57 -14.494 0.009 -5.682 436 HD23 LEU 57 3HD2 LEU 57 -14.628 0.996 -4.226 437 H SER 58 H SER 58 -8.883 -0.654 -5.020 438 HA SER 58 HA SER 58 -8.686 -3.329 -4.393 439 HB2 SER 58 1HB SER 58 -7.271 -1.594 -5.986 440 HB3 SER 58 2HB SER 58 -6.072 -2.044 -4.773 441 HG SER 58 HG SER 58 -7.049 -4.294 -5.323 442 H ALA 59 H ALA 59 -7.010 -0.613 -2.830 443 HA ALA 59 HA ALA 59 -5.352 -1.801 -1.074 444 HB1 ALA 59 1HB ALA 59 -5.707 0.038 0.453 445 HB2 ALA 59 2HB ALA 59 -5.745 0.629 -1.209 446 HB3 ALA 59 3HB ALA 59 -7.250 0.415 -0.314 447 H ALA 60 H ALA 60 -8.857 -1.797 -0.893 448 HA ALA 60 HA ALA 60 -9.022 -2.888 1.737 449 HB1 ALA 60 1HB ALA 60 -10.863 -2.084 -0.353 450 HB2 ALA 60 2HB ALA 60 -11.382 -3.561 0.460 451 HB3 ALA 60 3HB ALA 60 -11.077 -2.099 1.397 452 H ASP 61 H ASP 61 -9.702 -4.337 -1.455 453 HA ASP 61 HA ASP 61 -10.056 -6.951 -0.634 454 HB2 ASP 61 1HB ASP 61 -9.697 -5.582 -3.112 455 HB3 ASP 61 2HB ASP 61 -8.677 -7.017 -3.123 456 H ALA 62 H ALA 62 -7.106 -5.142 -1.031 457 HA ALA 62 HA ALA 62 -5.322 -7.354 -1.051 458 HB1 ALA 62 1HB ALA 62 -4.657 -5.166 -1.889 459 HB2 ALA 62 2HB ALA 62 -4.822 -4.482 -0.272 460 HB3 ALA 62 3HB ALA 62 -3.581 -5.693 -0.595 461 H ARG 63 H ARG 63 -6.957 -5.595 1.459 462 HA ARG 63 HA ARG 63 -5.261 -6.495 3.592 463 HB2 ARG 63 1HB ARG 63 -6.570 -4.394 3.715 464 HB3 ARG 63 2HB ARG 63 -8.051 -5.341 3.718 465 HG2 ARG 63 1HG ARG 63 -7.293 -6.425 5.816 466 HG3 ARG 63 2HG ARG 63 -5.906 -5.334 5.828 467 HD2 ARG 63 1HD ARG 63 -7.300 -4.102 7.126 468 HD3 ARG 63 2HD ARG 63 -7.847 -3.527 5.552 469 HE ARG 63 HE ARG 63 -9.479 -5.600 5.952 470 HH11 ARG 63 2HH1 ARG 63 -8.532 -2.992 8.056 471 HH12 ARG 63 1HH1 ARG 63 -10.027 -2.983 8.931 472 HH21 ARG 63 2HH2 ARG 63 -11.451 -5.597 7.097 473 HH22 ARG 63 1HH2 ARG 63 -11.687 -4.465 8.386 474 H LEU 64 H LEU 64 -8.525 -7.344 2.460 475 HA LEU 64 HA LEU 64 -8.997 -9.376 4.343 476 HB2 LEU 64 1HB LEU 64 -10.953 -9.665 3.276 477 HB3 LEU 64 2HB LEU 64 -10.496 -8.159 2.481 478 HG LEU 64 HG LEU 64 -9.447 -9.726 0.691 479 HD11 LEU 64 1HD1 LEU 64 -9.967 -11.908 0.674 480 HD12 LEU 64 2HD1 LEU 64 -11.593 -11.632 1.298 481 HD13 LEU 64 3HD1 LEU 64 -10.220 -11.679 2.404 482 HD21 LEU 64 1HD2 LEU 64 -12.339 -9.982 0.440 483 HD22 LEU 64 2HD2 LEU 64 -11.185 -9.102 -0.565 484 HD23 LEU 64 3HD2 LEU 64 -11.821 -8.361 0.905 485 H ARG 65 H ARG 65 -7.524 -9.431 1.136 486 HA ARG 65 HA ARG 65 -7.257 -12.279 1.051 487 HB2 ARG 65 1HB ARG 65 -6.383 -9.986 -0.626 488 HB3 ARG 65 2HB ARG 65 -5.469 -11.480 -0.776 489 HG2 ARG 65 1HG ARG 65 -8.189 -12.192 -0.856 490 HG3 ARG 65 2HG ARG 65 -7.993 -10.791 -1.911 491 HD2 ARG 65 1HD ARG 65 -6.435 -11.882 -3.265 492 HD3 ARG 65 2HD ARG 65 -6.099 -13.110 -2.046 493 HE ARG 65 HE ARG 65 -7.811 -14.342 -2.908 494 HH11 ARG 65 2HH1 ARG 65 -8.266 -11.016 -3.834 495 HH12 ARG 65 1HH1 ARG 65 -9.640 -11.347 -4.835 496 HH21 ARG 65 2HH2 ARG 65 -9.620 -14.790 -4.223 497 HH22 ARG 65 1HH2 ARG 65 -10.409 -13.493 -5.056 498 H LEU 66 H LEU 66 -5.446 -9.700 2.433 499 HA LEU 66 HA LEU 66 -3.247 -11.568 3.030 500 HB2 LEU 66 1HB LEU 66 -2.978 -8.578 2.983 501 HB3 LEU 66 2HB LEU 66 -1.699 -9.789 3.003 502 HG LEU 66 HG LEU 66 -3.566 -9.422 0.669 503 HD11 LEU 66 1HD1 LEU 66 -0.990 -8.037 1.327 504 HD12 LEU 66 2HD1 LEU 66 -2.512 -7.344 0.769 505 HD13 LEU 66 3HD1 LEU 66 -1.509 -8.278 -0.342 506 HD21 LEU 66 1HD2 LEU 66 -2.108 -10.794 -0.513 507 HD22 LEU 66 2HD2 LEU 66 -2.188 -11.562 1.073 508 HD23 LEU 66 3HD2 LEU 66 -0.796 -10.565 0.644 509 H HIS 67 H HIS 67 -2.107 -9.482 4.826 510 HA HIS 67 HA HIS 67 -2.339 -8.643 6.959 511 HB2 HIS 67 1HB HIS 67 -4.880 -8.502 6.222 512 HB3 HIS 67 2HB HIS 67 -5.040 -9.861 7.330 513 HD1 HIS 67 1HD HIS 67 -2.457 -7.765 8.632 514 HD2 HIS 67 2HD HIS 67 -6.610 -7.658 8.644 515 HE1 HIS 67 1HE HIS 67 -3.084 -6.210 10.506 516 H LYS 68 H LYS 68 -3.965 -10.144 8.978 517 HA LYS 68 HA LYS 68 -2.167 -11.681 10.215 518 HB2 LYS 68 1HB LYS 68 -5.129 -12.143 9.935 519 HB3 LYS 68 2HB LYS 68 -4.133 -13.166 10.963 520 HG2 LYS 68 1HG LYS 68 -3.934 -11.597 12.554 521 HG3 LYS 68 2HG LYS 68 -3.798 -10.280 11.388 522 HD2 LYS 68 1HD LYS 68 -6.430 -11.346 11.227 523 HD3 LYS 68 2HD LYS 68 -6.055 -11.058 12.928 524 HE2 LYS 68 1HE LYS 68 -5.197 -8.894 11.167 525 HE3 LYS 68 2HE LYS 68 -6.938 -9.175 11.130 526 HZ1 LYS 68 1HZ LYS 68 -7.099 -8.106 13.043 527 HZ2 LYS 68 2HZ LYS 68 -5.425 -7.879 13.103 528 HZ3 LYS 68 3HZ LYS 68 -6.116 -9.259 13.795 529 H THR 69 H THR 69 -3.917 -12.599 7.335 530 HA THR 69 HA THR 69 -3.791 -15.240 7.075 531 HB THR 69 HB THR 69 -3.115 -14.991 4.695 532 HG1 THR 69 1HG THR 69 -2.526 -12.367 5.591 533 HG21 THR 69 1HG2 THR 69 -5.293 -13.563 6.024 534 HG22 THR 69 2HG2 THR 69 -5.329 -14.626 4.616 535 HG23 THR 69 3HG2 THR 69 -4.901 -12.925 4.427 536 H GLU 70 H GLU 70 -2.365 -16.847 7.251 537 HA GLU 70 HA GLU 70 0.278 -16.408 8.107 538 HB2 GLU 70 1HB GLU 70 -1.418 -18.714 7.491 539 HB3 GLU 70 2HB GLU 70 0.285 -18.993 7.160 540 HG2 GLU 70 1HG GLU 70 0.874 -18.462 9.422 541 HG3 GLU 70 2HG GLU 70 -0.783 -17.978 9.782 542 H PHE 71 H PHE 71 1.211 -15.014 6.546 543 HA PHE 71 HA PHE 71 1.447 -15.699 3.805 544 HB2 PHE 71 1HB PHE 71 1.695 -13.406 4.353 545 HB3 PHE 71 2HB PHE 71 2.916 -13.750 5.574 546 HD1 PHE 71 1HD PHE 71 2.254 -13.543 1.963 547 HD2 PHE 71 2HD PHE 71 5.209 -14.003 4.992 548 HE1 PHE 71 1HE PHE 71 4.021 -13.154 0.294 549 HE2 PHE 71 2HE PHE 71 6.979 -13.612 3.329 550 HZ PHE 71 HZ PHE 71 6.387 -13.187 0.977 551 H LEU 72 H LEU 72 2.354 -17.624 3.332 552 HA LEU 72 HA LEU 72 3.946 -19.220 3.039 553 HB2 LEU 72 1HB LEU 72 5.531 -16.776 3.616 554 HB3 LEU 72 2HB LEU 72 6.369 -18.326 3.654 555 HG LEU 72 HG LEU 72 4.857 -18.223 1.255 556 HD11 LEU 72 1HD1 LEU 72 5.389 -16.244 0.221 557 HD12 LEU 72 2HD1 LEU 72 6.733 -15.906 1.311 558 HD13 LEU 72 3HD1 LEU 72 5.073 -15.691 1.866 559 HD21 LEU 72 1HD2 LEU 72 7.371 -17.994 0.419 560 HD22 LEU 72 2HD2 LEU 72 6.734 -19.493 1.095 561 HD23 LEU 72 3HD2 LEU 72 7.693 -18.408 2.103 562 H GLY 73 H GLY 73 2.742 -18.519 5.789 563 HA2 GLY 73 1HA GLY 73 2.863 -20.269 7.503 564 HA3 GLY 73 2HA GLY 73 4.611 -20.206 7.334 565 H LYS 74 H LYS 74 4.570 -17.246 7.172 566 HA LYS 74 HA LYS 74 4.405 -16.762 10.054 567 HB2 LYS 74 1HB LYS 74 5.712 -15.147 7.855 568 HB3 LYS 74 2HB LYS 74 5.758 -14.747 9.567 569 HG2 LYS 74 1HG LYS 74 6.691 -17.447 8.813 570 HG3 LYS 74 2HG LYS 74 7.703 -16.084 8.326 571 HD2 LYS 74 1HD LYS 74 6.715 -16.006 11.100 572 HD3 LYS 74 2HD LYS 74 7.853 -17.305 10.737 573 HE2 LYS 74 1HE LYS 74 9.472 -15.708 9.919 574 HE3 LYS 74 2HE LYS 74 8.323 -14.388 10.130 575 HZ1 LYS 74 1HZ LYS 74 9.941 -15.770 12.106 576 HZ2 LYS 74 2HZ LYS 74 8.364 -15.395 12.586 577 HZ3 LYS 74 3HZ LYS 74 9.407 -14.165 12.074 578 H GLU 75 H GLU 75 3.026 -15.336 10.959 579 HA GLU 75 HA GLU 75 0.830 -14.378 9.391 580 HB2 GLU 75 1HB GLU 75 0.348 -15.110 11.611 581 HB3 GLU 75 2HB GLU 75 1.577 -14.054 12.295 582 HG2 GLU 75 1HG GLU 75 0.150 -12.143 11.302 583 HG3 GLU 75 2HG GLU 75 -1.123 -13.359 11.223 584 H MET 76 H MET 76 0.817 -12.569 8.248 585 HA MET 76 HA MET 76 2.709 -10.435 8.930 586 HB2 MET 76 1HB MET 76 3.042 -10.841 6.696 587 HB3 MET 76 2HB MET 76 1.374 -11.323 6.422 588 HG2 MET 76 1HG MET 76 0.670 -8.999 6.522 589 HG3 MET 76 2HG MET 76 2.330 -8.501 6.840 590 HE1 MET 76 1HE MET 76 -0.175 -10.055 4.640 591 HE2 MET 76 2HE MET 76 0.313 -9.660 2.992 592 HE3 MET 76 3HE MET 76 0.948 -11.107 3.777 593 H LYS 77 H LYS 77 2.028 -8.241 8.990 594 HA LYS 77 HA LYS 77 -0.813 -7.932 9.700 595 HB2 LYS 77 1HB LYS 77 1.677 -6.946 10.903 596 HB3 LYS 77 2HB LYS 77 0.442 -5.708 10.710 597 HG2 LYS 77 1HG LYS 77 -1.075 -6.852 12.086 598 HG3 LYS 77 2HG LYS 77 -0.147 -8.351 12.003 599 HD2 LYS 77 1HD LYS 77 1.184 -5.939 13.123 600 HD3 LYS 77 2HD LYS 77 -0.033 -6.751 14.111 601 HE2 LYS 77 1HE LYS 77 1.308 -8.900 13.446 602 HE3 LYS 77 2HE LYS 77 2.607 -7.749 13.139 603 HZ1 LYS 77 1HZ LYS 77 3.035 -7.903 15.300 604 HZ2 LYS 77 2HZ LYS 77 1.583 -8.705 15.630 605 HZ3 LYS 77 3HZ LYS 77 1.622 -7.015 15.574 606 H LEU 78 H LEU 78 -1.686 -5.698 9.322 607 HA LEU 78 HA LEU 78 -0.448 -4.157 7.216 608 HB2 LEU 78 1HB LEU 78 -2.776 -5.944 6.748 609 HB3 LEU 78 2HB LEU 78 -2.772 -4.367 5.963 610 HG LEU 78 HG LEU 78 -0.269 -5.792 5.581 611 HD11 LEU 78 1HD1 LEU 78 -1.114 -7.845 5.308 612 HD12 LEU 78 2HD1 LEU 78 -1.749 -7.214 3.789 613 HD13 LEU 78 3HD1 LEU 78 -2.774 -7.257 5.223 614 HD21 LEU 78 1HD2 LEU 78 -2.243 -4.946 3.489 615 HD22 LEU 78 2HD2 LEU 78 -0.483 -5.006 3.396 616 HD23 LEU 78 3HD2 LEU 78 -1.273 -3.764 4.368 617 H TYR 79 H TYR 79 -1.022 -2.063 7.330 618 HA TYR 79 HA TYR 79 -3.399 -1.366 8.922 619 HB2 TYR 79 1HB TYR 79 -0.667 -0.078 9.053 620 HB3 TYR 79 2HB TYR 79 -2.110 0.576 9.819 621 HD1 TYR 79 2HD TYR 79 0.174 -2.347 9.791 622 HD2 TYR 79 1HD TYR 79 -2.810 -0.197 11.930 623 HE1 TYR 79 2HE TYR 79 0.613 -3.727 11.780 624 HE2 TYR 79 1HE TYR 79 -2.378 -1.571 13.925 625 HH TYR 79 HH TYR 79 -0.964 -4.384 13.949 626 H PHE 80 H PHE 80 -4.440 0.585 8.371 627 HA PHE 80 HA PHE 80 -4.237 1.246 5.575 628 HB2 PHE 80 1HB PHE 80 -6.131 1.822 7.786 629 HB3 PHE 80 2HB PHE 80 -6.065 2.999 6.479 630 HD1 PHE 80 1HD PHE 80 -6.292 2.067 4.079 631 HD2 PHE 80 2HD PHE 80 -7.453 -0.061 7.578 632 HE1 PHE 80 1HE PHE 80 -7.765 0.641 2.719 633 HE2 PHE 80 2HE PHE 80 -8.926 -1.491 6.224 634 HZ PHE 80 HZ PHE 80 -9.084 -1.141 3.791 635 H ALA 81 H ALA 81 -2.434 2.404 5.117 636 HA ALA 81 HA ALA 81 -1.014 4.192 6.550 637 HB1 ALA 81 1HB ALA 81 -1.269 5.348 3.964 638 HB2 ALA 81 2HB ALA 81 0.051 4.373 4.614 639 HB3 ALA 81 3HB ALA 81 -1.303 3.592 3.797 640 H GLN 82 H GLN 82 -4.168 4.735 5.152 641 HA GLN 82 HA GLN 82 -4.481 7.409 5.029 642 HB2 GLN 82 1HB GLN 82 -6.353 5.997 4.593 643 HB3 GLN 82 2HB GLN 82 -6.350 5.374 6.237 644 HG2 GLN 82 1HG GLN 82 -8.108 6.843 6.295 645 HG3 GLN 82 2HG GLN 82 -6.788 7.844 6.896 646 HE21 GLN 82 2HE2 GLN 82 -9.328 7.730 4.802 647 HE22 GLN 82 1HE2 GLN 82 -8.862 8.992 3.719 648 H THR 83 H THR 83 -5.018 5.599 8.059 649 HA THR 83 HA THR 83 -4.973 6.258 10.243 650 HB THR 83 HB THR 83 -3.018 7.522 10.959 651 HG1 THR 83 1HG THR 83 -1.591 8.152 9.035 652 HG21 THR 83 1HG2 THR 83 -2.550 5.239 10.500 653 HG22 THR 83 2HG2 THR 83 -1.238 6.167 9.774 654 HG23 THR 83 3HG2 THR 83 -2.528 5.521 8.761 655 H LEU 84 H LEU 84 -4.817 8.332 11.720 656 HA LEU 84 HA LEU 84 -7.046 9.911 11.177 657 HB2 LEU 84 1HB LEU 84 -6.104 11.411 12.989 658 HB3 LEU 84 2HB LEU 84 -6.396 9.726 13.417 659 HG LEU 84 HG LEU 84 -3.659 10.445 12.529 660 HD11 LEU 84 1HD1 LEU 84 -3.005 11.459 14.525 661 HD12 LEU 84 2HD1 LEU 84 -4.498 11.014 15.350 662 HD13 LEU 84 3HD1 LEU 84 -4.517 12.269 14.110 663 HD21 LEU 84 1HD2 LEU 84 -3.254 8.437 13.377 664 HD22 LEU 84 2HD2 LEU 84 -4.967 8.272 13.760 665 HD23 LEU 84 3HD2 LEU 84 -3.858 8.949 14.953 666 H HIS 85 H HIS 85 -7.287 11.349 9.606 667 HA HIS 85 HA HIS 85 -5.050 12.628 8.344 668 HB2 HIS 85 1HB HIS 85 -6.721 13.688 6.913 669 HB3 HIS 85 2HB HIS 85 -7.051 11.965 7.068 670 HD1 HIS 85 1HD HIS 85 -9.430 11.457 7.453 671 HD2 HIS 85 2HD HIS 85 -8.404 15.203 8.927 672 HE1 HIS 85 1HE HIS 85 -11.565 12.432 8.355 673 H ILE 86 H ILE 86 -4.830 14.958 8.106 674 HA ILE 86 HA ILE 86 -5.541 16.347 10.599 675 HB ILE 86 HB ILE 86 -3.347 16.970 8.618 676 HG12 ILE 86 1HG1 ILE 86 -2.845 16.216 11.458 677 HG13 ILE 86 2HG1 ILE 86 -3.287 14.936 10.334 678 HG21 ILE 86 1HG2 ILE 86 -4.141 18.305 11.198 679 HG22 ILE 86 2HG2 ILE 86 -2.598 18.572 10.388 680 HG23 ILE 86 3HG2 ILE 86 -4.104 19.016 9.585 681 HD11 ILE 86 1HD1 ILE 86 -0.820 16.546 10.507 682 HD12 ILE 86 2HD1 ILE 86 -1.047 14.850 10.080 683 HD13 ILE 86 3HD1 ILE 86 -1.381 16.110 8.894 684 H GLY 87 H GLY 87 -7.624 17.000 9.946 685 HA2 GLY 87 1HA GLY 87 -7.696 18.919 7.707 686 HA3 GLY 87 2HA GLY 87 -9.085 18.024 8.304 687 H SER 88 H SER 88 -8.239 20.996 8.021 688 HA SER 88 HA SER 88 -7.967 22.298 10.390 689 HB2 SER 88 1HB SER 88 -8.915 24.206 9.376 690 HB3 SER 88 2HB SER 88 -8.270 23.271 8.027 691 HG SER 88 HG SER 88 -10.232 22.927 7.318 692 H SER 89 H SER 89 -9.440 23.273 11.889 693 HA SER 89 HA SER 89 -11.704 21.524 12.476 694 HB2 SER 89 1HB SER 89 -9.928 22.142 14.204 695 HB3 SER 89 2HB SER 89 -10.653 23.749 14.223 696 HG SER 89 HG SER 89 -11.481 22.277 15.839 697 H HIS 90 H HIS 90 -13.563 22.806 13.663 698 HA HIS 90 HA HIS 90 -14.163 25.381 12.513 699 HB2 HIS 90 1HB HIS 90 -16.015 24.781 11.184 700 HB3 HIS 90 2HB HIS 90 -14.762 23.624 10.748 701 HD1 HIS 90 1HD HIS 90 -15.056 21.514 12.880 702 HD2 HIS 90 2HD HIS 90 -18.307 23.351 11.058 703 HE1 HIS 90 1HE HIS 90 -16.979 19.919 13.169 704 H LEU 91 H LEU 91 -16.529 25.986 13.119 705 HA LEU 91 HA LEU 91 -17.554 24.685 15.482 706 HB2 LEU 91 1HB LEU 91 -15.742 26.894 15.701 707 HB3 LEU 91 2HB LEU 91 -17.332 27.374 16.289 708 HG LEU 91 HG LEU 91 -16.443 24.795 17.332 709 HD11 LEU 91 1HD1 LEU 91 -14.997 27.105 18.513 710 HD12 LEU 91 2HD1 LEU 91 -14.337 26.367 17.054 711 HD13 LEU 91 3HD1 LEU 91 -14.581 25.391 18.502 712 HD21 LEU 91 1HD2 LEU 91 -18.385 25.960 18.187 713 HD22 LEU 91 2HD2 LEU 91 -17.399 27.367 18.585 714 HD23 LEU 91 3HD2 LEU 91 -17.153 25.846 19.443 715 H ALA 92 H ALA 92 -19.361 26.254 16.441 716 HA ALA 92 HA ALA 92 -20.795 27.489 14.187 717 HB1 ALA 92 1HB ALA 92 -22.456 26.130 16.206 718 HB2 ALA 92 2HB ALA 92 -22.653 26.239 14.457 719 HB3 ALA 92 3HB ALA 92 -21.517 25.080 15.146 720 HA PRO 93 HA PRO 93 -21.301 30.912 16.912 721 HB2 PRO 93 1HB PRO 93 -23.428 32.099 15.712 722 HB3 PRO 93 2HB PRO 93 -21.795 32.139 15.033 723 HG2 PRO 93 1HG PRO 93 -24.100 30.365 14.323 724 HG3 PRO 93 2HG PRO 93 -22.952 31.191 13.253 725 HD2 PRO 93 1HD PRO 93 -22.733 28.565 13.873 726 HD3 PRO 93 2HD PRO 93 -21.320 29.593 13.561 727 HA PRO 94 HA PRO 94 -24.436 30.068 19.877 728 HB2 PRO 94 1HB PRO 94 -25.112 32.556 20.727 729 HB3 PRO 94 2HB PRO 94 -23.574 31.787 21.135 730 HG2 PRO 94 1HG PRO 94 -24.174 33.813 19.015 731 HG3 PRO 94 2HG PRO 94 -22.798 33.736 20.131 732 HD2 PRO 94 1HD PRO 94 -22.631 32.922 17.554 733 HD3 PRO 94 2HD PRO 94 -21.692 32.165 18.857 734 H ASN 95 H ASN 95 -26.702 30.283 20.389 735 HA ASN 95 HA ASN 95 -28.461 31.797 18.728 736 HB2 ASN 95 1HB ASN 95 -27.825 29.012 17.998 737 HB3 ASN 95 2HB ASN 95 -29.546 29.379 18.083 738 HD21 ASN 95 2HD2 ASN 95 -28.024 28.709 15.758 739 HD22 ASN 95 1HD2 ASN 95 -28.128 30.054 14.677 740 HA PRO 96 HA PRO 96 -31.216 31.161 22.082 741 HB2 PRO 96 1HB PRO 96 -33.639 31.151 20.858 742 HB3 PRO 96 2HB PRO 96 -32.665 32.613 21.047 743 HG2 PRO 96 1HG PRO 96 -32.960 30.826 18.663 744 HG3 PRO 96 2HG PRO 96 -32.931 32.598 18.736 745 HD2 PRO 96 1HD PRO 96 -30.772 31.136 18.008 746 HD3 PRO 96 2HD PRO 96 -30.631 32.681 18.870 747 H ASP 97 H ASP 97 -33.506 29.855 22.419 748 HA ASP 97 HA ASP 97 -32.785 27.183 22.736 749 HB2 ASP 97 1HB ASP 97 -35.543 28.420 22.620 750 HB3 ASP 97 2HB ASP 97 -35.203 26.786 23.183 751 H LYS 98 H LYS 98 -35.360 28.334 20.553 752 HA LYS 98 HA LYS 98 -34.383 26.962 18.282 753 HB2 LYS 98 1HB LYS 98 -35.477 25.208 20.047 754 HB3 LYS 98 2HB LYS 98 -36.891 25.632 19.092 755 HG2 LYS 98 1HG LYS 98 -36.147 24.550 17.264 756 HG3 LYS 98 2HG LYS 98 -34.462 24.989 17.557 757 HD2 LYS 98 1HD LYS 98 -35.258 23.256 19.646 758 HD3 LYS 98 2HD LYS 98 -35.802 22.534 18.130 759 HE2 LYS 98 1HE LYS 98 -33.696 22.151 17.408 760 HE3 LYS 98 2HE LYS 98 -33.071 23.641 18.114 761 HZ1 LYS 98 1HZ LYS 98 -33.021 20.994 19.160 762 HZ2 LYS 98 2HZ LYS 98 -33.740 22.063 20.255 763 HZ3 LYS 98 3HZ LYS 98 -32.180 22.367 19.678 764 H SER 99 H SER 99 -34.888 28.803 17.163 765 HA SER 99 HA SER 99 -37.333 30.196 17.356 766 HB2 SER 99 1HB SER 99 -36.616 31.231 15.172 767 HB3 SER 99 2HB SER 99 -35.417 31.331 16.460 768 HG SER 99 HG SER 99 -35.464 29.498 14.295 769 H GLY 100 H GLY 100 -39.039 28.730 17.193 770 HA2 GLY 100 1HA GLY 100 -39.933 28.213 14.521 771 HA3 GLY 100 2HA GLY 100 -39.454 26.740 15.351 772 HA PRO 101 HA PRO 101 -43.919 27.385 16.272 773 HB2 PRO 101 1HB PRO 101 -44.559 24.754 16.085 774 HB3 PRO 101 2HB PRO 101 -44.494 25.829 14.683 775 HG2 PRO 101 1HG PRO 101 -42.451 23.875 15.667 776 HG3 PRO 101 2HG PRO 101 -42.989 24.191 14.007 777 HD2 PRO 101 1HD PRO 101 -40.687 25.204 15.010 778 HD3 PRO 101 2HD PRO 101 -41.659 26.062 13.798 779 H SER 102 H SER 102 -45.155 26.679 18.095 780 HA SER 102 HA SER 102 -43.537 25.416 20.211 781 HB2 SER 102 1HB SER 102 -44.875 27.979 20.167 782 HB3 SER 102 2HB SER 102 -45.519 26.968 21.460 783 HG SER 102 HG SER 102 -42.796 27.635 21.012 784 H SER 103 H SER 103 -44.314 23.528 20.844 785 HA SER 103 HA SER 103 -47.009 22.738 20.152 786 HB2 SER 103 1HB SER 103 -44.525 21.396 20.905 787 HB3 SER 103 2HB SER 103 -45.940 20.695 21.689 788 HG SER 103 HG SER 103 -46.095 19.692 19.834 789 H GLY 104 H GLY 104 -47.981 21.205 22.049 790 HA2 GLY 104 1HA GLY 104 -48.901 21.091 24.167 791 HA3 GLY 104 2HA GLY 104 -47.752 22.316 24.687 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -3.155 19.692 -2.648 2 HA2 GLY 1 1HA GLY 1 -1.334 19.521 -4.965 3 HA3 GLY 1 2HA GLY 1 -1.019 18.808 -3.390 4 H SER 2 H SER 2 -0.588 16.885 -4.745 5 HA SER 2 HA SER 2 -3.094 15.447 -5.329 6 HB2 SER 2 1HB SER 2 -1.797 14.164 -7.038 7 HB3 SER 2 2HB SER 2 -1.946 15.879 -7.417 8 HG SER 2 HG SER 2 0.265 15.288 -5.919 9 H SER 3 H SER 3 -3.120 13.194 -4.888 10 HA SER 3 HA SER 3 -0.996 11.754 -3.755 11 HB2 SER 3 1HB SER 3 -1.714 11.691 -1.388 12 HB3 SER 3 2HB SER 3 -1.204 13.307 -1.877 13 HG SER 3 HG SER 3 -3.115 13.980 -1.364 14 H GLY 4 H GLY 4 -1.522 9.749 -4.298 15 HA2 GLY 4 1HA GLY 4 -3.862 8.795 -5.265 16 HA3 GLY 4 2HA GLY 4 -2.733 7.781 -4.379 17 H SER 5 H SER 5 -2.963 8.811 -1.828 18 HA SER 5 HA SER 5 -4.235 8.737 0.059 19 HB2 SER 5 1HB SER 5 -5.968 9.896 -1.911 20 HB3 SER 5 2HB SER 5 -6.910 8.824 -0.875 21 HG SER 5 HG SER 5 -5.882 9.960 0.922 22 H SER 6 H SER 6 -3.523 6.356 -1.397 23 HA SER 6 HA SER 6 -5.458 4.539 -0.194 24 HB2 SER 6 1HB SER 6 -4.589 4.220 -3.075 25 HB3 SER 6 2HB SER 6 -5.702 3.180 -2.186 26 HG SER 6 HG SER 6 -6.380 5.182 -3.637 27 H GLY 7 H GLY 7 -3.181 4.911 1.008 28 HA2 GLY 7 1HA GLY 7 -1.218 2.979 0.000 29 HA3 GLY 7 2HA GLY 7 -0.947 4.151 1.281 30 H LEU 8 H LEU 8 -0.218 1.470 1.514 31 HA LEU 8 HA LEU 8 -1.846 0.714 3.812 32 HB2 LEU 8 1HB LEU 8 -1.525 -0.868 1.324 33 HB3 LEU 8 2HB LEU 8 -1.472 -1.741 2.855 34 HG LEU 8 HG LEU 8 -3.758 0.039 2.022 35 HD11 LEU 8 1HD1 LEU 8 -3.052 -2.595 1.111 36 HD12 LEU 8 2HD1 LEU 8 -4.392 -1.559 0.621 37 HD13 LEU 8 3HD1 LEU 8 -4.569 -2.633 2.008 38 HD21 LEU 8 1HD2 LEU 8 -4.771 -1.713 3.779 39 HD22 LEU 8 2HD2 LEU 8 -4.091 -0.154 4.250 40 HD23 LEU 8 3HD2 LEU 8 -3.115 -1.618 4.381 41 H ILE 9 H ILE 9 -0.588 0.220 5.482 42 HA ILE 9 HA ILE 9 2.258 -0.259 4.996 43 HB ILE 9 HB ILE 9 0.914 0.270 7.643 44 HG12 ILE 9 1HG1 ILE 9 0.740 2.077 5.758 45 HG13 ILE 9 2HG1 ILE 9 1.221 2.555 7.382 46 HG21 ILE 9 1HG2 ILE 9 2.991 -0.626 8.125 47 HG22 ILE 9 2HG2 ILE 9 3.746 0.102 6.708 48 HG23 ILE 9 3HG2 ILE 9 3.328 1.105 8.097 49 HD11 ILE 9 1HD1 ILE 9 3.289 1.864 5.344 50 HD12 ILE 9 2HD1 ILE 9 2.529 3.457 5.353 51 HD13 ILE 9 3HD1 ILE 9 3.418 2.895 6.768 52 H ALA 10 H ALA 10 2.460 -2.404 4.536 53 HA ALA 10 HA ALA 10 1.210 -4.363 6.307 54 HB1 ALA 10 1HB ALA 10 2.898 -5.396 4.161 55 HB2 ALA 10 2HB ALA 10 1.225 -5.774 4.572 56 HB3 ALA 10 3HB ALA 10 1.594 -4.351 3.597 57 H CYS 11 H CYS 11 2.280 -5.201 7.964 58 HA CYS 11 HA CYS 11 5.187 -4.877 8.088 59 HB2 CYS 11 1HB CYS 11 3.452 -4.204 9.956 60 HB3 CYS 11 2HB CYS 11 3.564 -5.907 10.380 61 HG CYS 11 HG CYS 11 6.614 -4.881 10.042 62 H VAL 12 H VAL 12 6.337 -6.532 7.353 63 HA VAL 12 HA VAL 12 5.253 -9.243 7.508 64 HB VAL 12 HB VAL 12 7.880 -8.589 6.229 65 HG11 VAL 12 1HG1 VAL 12 7.305 -10.910 6.350 66 HG12 VAL 12 2HG1 VAL 12 5.696 -10.598 5.700 67 HG13 VAL 12 3HG1 VAL 12 7.118 -10.387 4.677 68 HG21 VAL 12 1HG2 VAL 12 6.204 -6.901 5.467 69 HG22 VAL 12 2HG2 VAL 12 6.829 -7.935 4.182 70 HG23 VAL 12 3HG2 VAL 12 5.223 -8.231 4.850 71 H ALA 13 H ALA 13 6.365 -10.961 8.464 72 HA ALA 13 HA ALA 13 8.183 -10.152 10.610 73 HB1 ALA 13 1HB ALA 13 6.947 -12.869 10.267 74 HB2 ALA 13 2HB ALA 13 7.588 -12.129 11.735 75 HB3 ALA 13 3HB ALA 13 6.089 -11.529 11.027 76 H ASN 14 H ASN 14 7.971 -12.383 7.876 77 HA ASN 14 HA ASN 14 10.431 -13.690 8.297 78 HB2 ASN 14 1HB ASN 14 8.452 -13.489 6.129 79 HB3 ASN 14 2HB ASN 14 10.096 -13.808 5.584 80 HD21 ASN 14 2HD2 ASN 14 7.805 -15.543 5.448 81 HD22 ASN 14 1HD2 ASN 14 8.200 -16.962 6.351 82 H ASP 15 H ASP 15 12.221 -12.488 8.584 83 HA ASP 15 HA ASP 15 12.794 -10.036 7.370 84 HB2 ASP 15 1HB ASP 15 15.151 -10.484 8.057 85 HB3 ASP 15 2HB ASP 15 13.983 -10.728 9.353 86 H ASP 16 H ASP 16 12.844 -13.177 6.077 87 HA ASP 16 HA ASP 16 14.887 -12.843 4.128 88 HB2 ASP 16 1HB ASP 16 12.537 -14.737 4.271 89 HB3 ASP 16 2HB ASP 16 13.782 -14.815 3.027 90 H VAL 17 H VAL 17 11.509 -12.012 4.278 91 HA VAL 17 HA VAL 17 10.945 -11.700 1.559 92 HB VAL 17 HB VAL 17 9.861 -10.116 3.892 93 HG11 VAL 17 1HG1 VAL 17 9.389 -9.941 1.027 94 HG12 VAL 17 2HG1 VAL 17 7.911 -10.227 1.948 95 HG13 VAL 17 3HG1 VAL 17 8.928 -8.834 2.320 96 HG21 VAL 17 1HG2 VAL 17 7.885 -11.736 3.407 97 HG22 VAL 17 2HG2 VAL 17 9.124 -12.731 2.643 98 HG23 VAL 17 3HG2 VAL 17 9.264 -12.303 4.347 99 H PHE 18 H PHE 18 13.023 -9.914 3.584 100 HA PHE 18 HA PHE 18 12.953 -7.546 1.875 101 HB2 PHE 18 1HB PHE 18 14.553 -8.084 4.386 102 HB3 PHE 18 2HB PHE 18 14.457 -6.545 3.536 103 HD1 PHE 18 1HD PHE 18 12.397 -9.051 5.336 104 HD2 PHE 18 2HD PHE 18 12.786 -5.012 4.051 105 HE1 PHE 18 1HE PHE 18 10.432 -8.436 6.684 106 HE2 PHE 18 2HE PHE 18 10.822 -4.391 5.398 107 HZ PHE 18 HZ PHE 18 9.643 -6.104 6.717 108 H SER 19 H SER 19 13.783 -9.545 0.360 109 HA SER 19 HA SER 19 16.610 -8.940 -0.047 110 HB2 SER 19 1HB SER 19 15.639 -11.466 0.941 111 HB3 SER 19 2HB SER 19 16.364 -11.686 -0.652 112 HG SER 19 HG SER 19 18.238 -11.443 0.244 113 H GLU 20 H GLU 20 17.375 -9.732 -2.200 114 HA GLU 20 HA GLU 20 15.310 -9.194 -4.178 115 HB2 GLU 20 1HB GLU 20 17.188 -9.033 -5.767 116 HB3 GLU 20 2HB GLU 20 17.403 -7.975 -4.380 117 HG2 GLU 20 1HG GLU 20 19.204 -9.102 -3.618 118 HG3 GLU 20 2HG GLU 20 18.607 -10.661 -4.183 119 H SER 21 H SER 21 17.017 -11.855 -2.870 120 HA SER 21 HA SER 21 17.377 -13.707 -4.763 121 HB2 SER 21 1HB SER 21 15.899 -14.135 -2.158 122 HB3 SER 21 2HB SER 21 16.546 -15.435 -3.158 123 HG SER 21 HG SER 21 18.436 -15.058 -2.341 124 H GLU 22 H GLU 22 14.194 -13.564 -3.161 125 HA GLU 22 HA GLU 22 12.661 -13.347 -5.492 126 HB2 GLU 22 1HB GLU 22 13.817 -15.800 -5.460 127 HB3 GLU 22 2HB GLU 22 12.333 -16.138 -4.582 128 HG2 GLU 22 1HG GLU 22 11.611 -14.604 -6.827 129 HG3 GLU 22 2HG GLU 22 12.737 -15.838 -7.388 130 H THR 23 H THR 23 12.838 -14.860 -2.298 131 HA THR 23 HA THR 23 10.307 -15.166 -1.496 132 HB THR 23 HB THR 23 12.317 -13.629 0.159 133 HG1 THR 23 1HG THR 23 13.288 -15.531 -0.466 134 HG21 THR 23 1HG2 THR 23 9.689 -14.207 0.728 135 HG22 THR 23 2HG2 THR 23 10.950 -13.889 1.919 136 HG23 THR 23 3HG2 THR 23 10.554 -15.549 1.475 137 H ARG 24 H ARG 24 11.823 -12.089 -2.175 138 HA ARG 24 HA ARG 24 9.893 -10.407 -1.000 139 HB2 ARG 24 1HB ARG 24 12.010 -9.480 -1.608 140 HB3 ARG 24 2HB ARG 24 11.818 -9.980 -3.283 141 HG2 ARG 24 1HG ARG 24 9.841 -8.415 -3.394 142 HG3 ARG 24 2HG ARG 24 10.362 -7.794 -1.827 143 HD2 ARG 24 1HD ARG 24 12.398 -7.973 -3.975 144 HD3 ARG 24 2HD ARG 24 11.161 -6.726 -4.133 145 HE ARG 24 HE ARG 24 12.133 -6.541 -1.552 146 HH11 ARG 24 2HH1 ARG 24 13.380 -6.234 -4.789 147 HH12 ARG 24 1HH1 ARG 24 14.603 -5.088 -4.349 148 HH21 ARG 24 2HH2 ARG 24 13.739 -5.032 -0.961 149 HH22 ARG 24 1HH2 ARG 24 14.807 -4.406 -2.171 150 H ALA 25 H ALA 25 10.294 -11.399 -4.403 151 HA ALA 25 HA ALA 25 8.118 -10.177 -5.527 152 HB1 ALA 25 1HB ALA 25 9.958 -11.822 -6.491 153 HB2 ALA 25 2HB ALA 25 8.631 -12.977 -6.361 154 HB3 ALA 25 3HB ALA 25 8.439 -11.521 -7.335 155 H LYS 26 H LYS 26 8.166 -13.353 -3.928 156 HA LYS 26 HA LYS 26 5.584 -14.172 -4.315 157 HB2 LYS 26 1HB LYS 26 7.207 -14.425 -1.776 158 HB3 LYS 26 2HB LYS 26 5.775 -15.372 -2.157 159 HG2 LYS 26 1HG LYS 26 6.895 -16.406 -4.020 160 HG3 LYS 26 2HG LYS 26 8.307 -15.373 -3.787 161 HD2 LYS 26 1HD LYS 26 8.337 -16.394 -1.398 162 HD3 LYS 26 2HD LYS 26 7.329 -17.655 -2.112 163 HE2 LYS 26 1HE LYS 26 9.425 -17.280 -3.916 164 HE3 LYS 26 2HE LYS 26 10.177 -17.233 -2.322 165 HZ1 LYS 26 1HZ LYS 26 9.557 -19.377 -1.865 166 HZ2 LYS 26 2HZ LYS 26 9.830 -19.487 -3.531 167 HZ3 LYS 26 3HZ LYS 26 8.250 -19.364 -2.939 168 H PHE 27 H PHE 27 6.754 -11.711 -2.108 169 HA PHE 27 HA PHE 27 4.175 -11.384 -0.840 170 HB2 PHE 27 1HB PHE 27 5.972 -10.967 0.619 171 HB3 PHE 27 2HB PHE 27 6.835 -10.005 -0.578 172 HD1 PHE 27 2HD PHE 27 5.710 -7.788 -1.295 173 HD2 PHE 27 1HD PHE 27 4.722 -9.921 2.254 174 HE1 PHE 27 2HE PHE 27 4.761 -5.734 -0.328 175 HE2 PHE 27 1HE PHE 27 3.770 -7.871 3.225 176 HZ PHE 27 HZ PHE 27 3.789 -5.774 1.935 177 H GLU 28 H GLU 28 5.950 -10.002 -3.476 178 HA GLU 28 HA GLU 28 4.463 -7.572 -3.653 179 HB2 GLU 28 1HB GLU 28 6.565 -8.925 -5.192 180 HB3 GLU 28 2HB GLU 28 5.451 -7.986 -6.177 181 HG2 GLU 28 1HG GLU 28 5.936 -5.995 -4.939 182 HG3 GLU 28 2HG GLU 28 6.910 -6.900 -3.781 183 H SER 29 H SER 29 4.471 -10.510 -5.677 184 HA SER 29 HA SER 29 2.402 -9.926 -7.369 185 HB2 SER 29 1HB SER 29 3.173 -12.570 -6.126 186 HB3 SER 29 2HB SER 29 1.965 -12.427 -7.402 187 HG SER 29 HG SER 29 3.759 -12.715 -8.543 188 H LEU 30 H LEU 30 2.237 -10.609 -3.988 189 HA LEU 30 HA LEU 30 -0.439 -11.441 -3.781 190 HB2 LEU 30 1HB LEU 30 1.415 -10.045 -1.874 191 HB3 LEU 30 2HB LEU 30 -0.234 -10.477 -1.428 192 HG LEU 30 HG LEU 30 1.900 -12.434 -2.275 193 HD11 LEU 30 1HD1 LEU 30 2.314 -12.910 -0.060 194 HD12 LEU 30 2HD1 LEU 30 0.786 -12.219 0.486 195 HD13 LEU 30 3HD1 LEU 30 2.104 -11.159 -0.015 196 HD21 LEU 30 1HD2 LEU 30 0.312 -13.986 -2.353 197 HD22 LEU 30 2HD2 LEU 30 -0.877 -12.687 -2.264 198 HD23 LEU 30 3HD2 LEU 30 -0.334 -13.489 -0.790 199 H PHE 31 H PHE 31 1.032 -8.231 -3.821 200 HA PHE 31 HA PHE 31 -1.610 -6.991 -3.616 201 HB2 PHE 31 1HB PHE 31 1.072 -5.606 -3.737 202 HB3 PHE 31 2HB PHE 31 -0.465 -4.921 -3.219 203 HD1 PHE 31 2HD PHE 31 2.099 -7.445 -2.337 204 HD2 PHE 31 1HD PHE 31 -1.130 -5.025 -0.984 205 HE1 PHE 31 2HE PHE 31 2.613 -8.065 -0.012 206 HE2 PHE 31 1HE PHE 31 -0.622 -5.640 1.343 207 HZ PHE 31 HZ PHE 31 1.250 -7.163 1.832 208 H ARG 32 H ARG 32 1.235 -7.014 -5.743 209 HA ARG 32 HA ARG 32 0.354 -5.293 -7.715 210 HB2 ARG 32 1HB ARG 32 2.550 -6.870 -7.377 211 HB3 ARG 32 2HB ARG 32 1.747 -7.694 -8.707 212 HG2 ARG 32 1HG ARG 32 2.156 -4.739 -8.819 213 HG3 ARG 32 2HG ARG 32 3.486 -5.836 -9.197 214 HD2 ARG 32 1HD ARG 32 1.867 -6.978 -10.800 215 HD3 ARG 32 2HD ARG 32 0.830 -5.570 -10.578 216 HE ARG 32 HE ARG 32 2.233 -4.374 -11.929 217 HH11 ARG 32 2HH1 ARG 32 3.877 -7.247 -10.850 218 HH12 ARG 32 1HH1 ARG 32 5.251 -7.003 -11.877 219 HH21 ARG 32 2HH2 ARG 32 4.036 -4.042 -13.285 220 HH22 ARG 32 1HH2 ARG 32 5.342 -5.180 -13.261 221 H THR 33 H THR 33 -0.223 -8.784 -7.426 222 HA THR 33 HA THR 33 -1.449 -9.455 -9.719 223 HB THR 33 HB THR 33 -1.283 -11.047 -7.907 224 HG1 THR 33 1HG THR 33 -4.067 -10.776 -8.328 225 HG21 THR 33 1HG2 THR 33 -2.228 -9.074 -6.288 226 HG22 THR 33 2HG2 THR 33 -2.140 -10.776 -5.839 227 HG23 THR 33 3HG2 THR 33 -3.651 -10.102 -6.445 228 H TYR 34 H TYR 34 -2.759 -7.321 -7.273 229 HA TYR 34 HA TYR 34 -5.370 -7.195 -8.496 230 HB2 TYR 34 1HB TYR 34 -4.313 -5.261 -6.447 231 HB3 TYR 34 2HB TYR 34 -5.978 -5.758 -6.729 232 HD1 TYR 34 2HD TYR 34 -5.824 -8.660 -6.743 233 HD2 TYR 34 1HD TYR 34 -3.781 -5.863 -4.273 234 HE1 TYR 34 2HE TYR 34 -5.614 -10.372 -4.990 235 HE2 TYR 34 1HE TYR 34 -3.563 -7.568 -2.514 236 HH TYR 34 HH TYR 34 -3.559 -10.372 -2.659 237 H ASP 35 H ASP 35 -3.084 -4.575 -7.722 238 HA ASP 35 HA ASP 35 -3.896 -3.251 -10.220 239 HB2 ASP 35 1HB ASP 35 -4.138 -2.181 -7.823 240 HB3 ASP 35 2HB ASP 35 -2.429 -1.817 -8.043 241 H LYS 36 H LYS 36 -2.346 -2.359 -11.595 242 HA LYS 36 HA LYS 36 0.277 -3.629 -11.406 243 HB2 LYS 36 1HB LYS 36 -1.157 -2.227 -13.662 244 HB3 LYS 36 2HB LYS 36 0.512 -2.771 -13.779 245 HG2 LYS 36 1HG LYS 36 -0.755 -5.025 -12.909 246 HG3 LYS 36 2HG LYS 36 -1.977 -4.288 -13.948 247 HD2 LYS 36 1HD LYS 36 -0.133 -4.045 -15.682 248 HD3 LYS 36 2HD LYS 36 0.825 -5.120 -14.661 249 HE2 LYS 36 1HE LYS 36 -0.702 -6.901 -14.942 250 HE3 LYS 36 2HE LYS 36 -1.932 -5.838 -15.624 251 HZ1 LYS 36 1HZ LYS 36 0.469 -5.739 -17.142 252 HZ2 LYS 36 2HZ LYS 36 -1.100 -6.123 -17.644 253 HZ3 LYS 36 3HZ LYS 36 -0.093 -7.330 -17.016 254 H ASP 37 H ASP 37 -1.223 -0.591 -10.962 255 HA ASP 37 HA ASP 37 1.291 0.874 -11.260 256 HB2 ASP 37 1HB ASP 37 -1.545 1.562 -11.369 257 HB3 ASP 37 2HB ASP 37 -0.611 2.684 -10.383 258 H THR 38 H THR 38 0.586 -1.084 -9.058 259 HA THR 38 HA THR 38 0.475 0.572 -6.686 260 HB THR 38 HB THR 38 0.985 -1.822 -5.640 261 HG1 THR 38 1HG THR 38 -0.414 -2.651 -7.934 262 HG21 THR 38 1HG2 THR 38 -1.526 -0.601 -6.670 263 HG22 THR 38 2HG2 THR 38 -1.040 -0.960 -5.012 264 HG23 THR 38 3HG2 THR 38 -1.596 -2.257 -6.068 265 H THR 39 H THR 39 2.167 1.311 -5.582 266 HA THR 39 HA THR 39 4.843 0.372 -6.345 267 HB THR 39 HB THR 39 5.725 2.440 -5.559 268 HG1 THR 39 1HG THR 39 4.174 3.992 -4.590 269 HG21 THR 39 1HG2 THR 39 4.190 2.344 -7.706 270 HG22 THR 39 2HG2 THR 39 4.861 3.870 -7.132 271 HG23 THR 39 3HG2 THR 39 3.191 3.446 -6.760 272 H PHE 40 H PHE 40 6.194 -0.564 -4.914 273 HA PHE 40 HA PHE 40 5.182 -0.947 -2.177 274 HB2 PHE 40 1HB PHE 40 7.162 -2.648 -3.708 275 HB3 PHE 40 2HB PHE 40 6.509 -2.995 -2.110 276 HD1 PHE 40 1HD PHE 40 5.210 -2.173 -5.514 277 HD2 PHE 40 2HD PHE 40 4.861 -4.578 -2.020 278 HE1 PHE 40 1HE PHE 40 3.347 -3.401 -6.550 279 HE2 PHE 40 2HE PHE 40 2.998 -5.810 -3.050 280 HZ PHE 40 HZ PHE 40 2.238 -5.223 -5.318 281 H GLN 41 H GLN 41 6.439 -0.468 -0.436 282 HA GLN 41 HA GLN 41 9.131 0.597 -0.967 283 HB2 GLN 41 1HB GLN 41 6.954 2.126 -0.220 284 HB3 GLN 41 2HB GLN 41 7.772 1.826 1.308 285 HG2 GLN 41 1HG GLN 41 9.306 3.345 0.840 286 HG3 GLN 41 2HG GLN 41 9.698 2.539 -0.679 287 HE21 GLN 41 2HE2 GLN 41 7.605 4.910 0.836 288 HE22 GLN 41 1HE2 GLN 41 7.231 5.782 -0.608 289 H TYR 42 H TYR 42 10.445 -0.889 -0.108 290 HA TYR 42 HA TYR 42 9.724 -2.222 2.380 291 HB2 TYR 42 1HB TYR 42 11.925 -2.646 0.365 292 HB3 TYR 42 2HB TYR 42 11.901 -3.483 1.913 293 HD1 TYR 42 1HD TYR 42 10.277 -3.161 -1.358 294 HD2 TYR 42 2HD TYR 42 10.279 -5.225 2.363 295 HE1 TYR 42 1HE TYR 42 8.803 -4.879 -2.318 296 HE2 TYR 42 2HE TYR 42 8.804 -6.949 1.413 297 HH TYR 42 HH TYR 42 7.579 -6.694 -1.906 298 H PHE 43 H PHE 43 10.503 -1.673 4.307 299 HA PHE 43 HA PHE 43 12.780 0.195 4.401 300 HB2 PHE 43 1HB PHE 43 10.524 -0.075 6.399 301 HB3 PHE 43 2HB PHE 43 11.836 1.098 6.463 302 HD1 PHE 43 1HD PHE 43 12.028 2.206 3.859 303 HD2 PHE 43 2HD PHE 43 8.539 0.979 5.964 304 HE1 PHE 43 1HE PHE 43 10.681 3.784 2.538 305 HE2 PHE 43 2HE PHE 43 7.186 2.555 4.645 306 HZ PHE 43 HZ PHE 43 8.257 3.960 2.929 307 H LYS 44 H LYS 44 14.472 -1.161 4.728 308 HA LYS 44 HA LYS 44 14.412 -3.464 6.364 309 HB2 LYS 44 1HB LYS 44 16.332 -2.069 4.734 310 HB3 LYS 44 2HB LYS 44 17.070 -2.525 6.263 311 HG2 LYS 44 1HG LYS 44 15.730 -4.806 5.539 312 HG3 LYS 44 2HG LYS 44 16.297 -4.172 3.992 313 HD2 LYS 44 1HD LYS 44 18.183 -4.275 6.302 314 HD3 LYS 44 2HD LYS 44 17.815 -5.762 5.426 315 HE2 LYS 44 1HE LYS 44 18.318 -4.250 3.329 316 HE3 LYS 44 2HE LYS 44 19.231 -3.307 4.506 317 HZ1 LYS 44 1HZ LYS 44 20.623 -4.954 3.421 318 HZ2 LYS 44 2HZ LYS 44 19.607 -6.200 3.947 319 HZ3 LYS 44 3HZ LYS 44 20.484 -5.293 5.073 320 H SER 45 H SER 45 14.568 -0.157 7.122 321 HA SER 45 HA SER 45 16.037 -0.390 9.573 322 HB2 SER 45 1HB SER 45 15.333 1.933 9.964 323 HB3 SER 45 2HB SER 45 15.957 1.731 8.327 324 HG SER 45 HG SER 45 14.107 2.792 8.000 325 H PHE 46 H PHE 46 12.617 -0.201 8.687 326 HA PHE 46 HA PHE 46 11.933 -0.932 11.458 327 HB2 PHE 46 1HB PHE 46 10.306 0.602 9.423 328 HB3 PHE 46 2HB PHE 46 9.699 0.077 10.989 329 HD1 PHE 46 1HD PHE 46 10.759 0.986 13.071 330 HD2 PHE 46 2HD PHE 46 11.561 2.571 9.202 331 HE1 PHE 46 1HE PHE 46 11.616 3.052 14.098 332 HE2 PHE 46 2HE PHE 46 12.419 4.639 10.223 333 HZ PHE 46 HZ PHE 46 12.448 4.881 12.673 334 H LYS 47 H LYS 47 12.556 -2.509 8.881 335 HA LYS 47 HA LYS 47 11.707 -4.279 7.683 336 HB2 LYS 47 1HB LYS 47 10.745 -4.938 10.473 337 HB3 LYS 47 2HB LYS 47 10.894 -6.090 9.153 338 HG2 LYS 47 1HG LYS 47 13.321 -4.550 9.801 339 HG3 LYS 47 2HG LYS 47 12.781 -5.708 11.019 340 HD2 LYS 47 1HD LYS 47 12.552 -7.098 8.638 341 HD3 LYS 47 2HD LYS 47 14.038 -6.166 8.438 342 HE2 LYS 47 1HE LYS 47 13.508 -7.728 10.942 343 HE3 LYS 47 2HE LYS 47 14.181 -8.506 9.510 344 HZ1 LYS 47 1HZ LYS 47 15.395 -6.077 10.682 345 HZ2 LYS 47 2HZ LYS 47 16.089 -7.184 9.609 346 HZ3 LYS 47 3HZ LYS 47 15.810 -7.627 11.217 347 H ARG 48 H ARG 48 10.008 -2.081 7.436 348 HA ARG 48 HA ARG 48 7.330 -3.300 7.557 349 HB2 ARG 48 1HB ARG 48 8.310 -0.516 7.873 350 HB3 ARG 48 2HB ARG 48 6.770 -0.726 7.053 351 HG2 ARG 48 1HG ARG 48 5.878 -1.912 8.970 352 HG3 ARG 48 2HG ARG 48 7.438 -1.791 9.789 353 HD2 ARG 48 1HD ARG 48 6.813 0.819 9.045 354 HD3 ARG 48 2HD ARG 48 5.289 0.135 9.608 355 HE ARG 48 HE ARG 48 7.544 -0.332 11.350 356 HH11 ARG 48 2HH1 ARG 48 4.885 1.766 10.547 357 HH12 ARG 48 1HH1 ARG 48 4.807 2.485 12.122 358 HH21 ARG 48 2HH2 ARG 48 7.453 0.607 13.426 359 HH22 ARG 48 1HH2 ARG 48 6.269 1.826 13.757 360 H VAL 49 H VAL 49 5.845 -2.522 5.766 361 HA VAL 49 HA VAL 49 7.248 -2.084 3.232 362 HB VAL 49 HB VAL 49 5.163 -4.245 3.542 363 HG11 VAL 49 1HG1 VAL 49 6.630 -3.051 1.276 364 HG12 VAL 49 2HG1 VAL 49 6.473 -4.808 1.265 365 HG13 VAL 49 3HG1 VAL 49 5.031 -3.793 1.331 366 HG21 VAL 49 1HG2 VAL 49 8.142 -4.587 3.223 367 HG22 VAL 49 2HG2 VAL 49 7.266 -4.796 4.740 368 HG23 VAL 49 3HG2 VAL 49 6.938 -5.866 3.376 369 H ARG 50 H ARG 50 6.365 -0.307 2.418 370 HA ARG 50 HA ARG 50 3.543 0.272 2.935 371 HB2 ARG 50 1HB ARG 50 4.956 2.106 3.477 372 HB3 ARG 50 2HB ARG 50 5.840 1.964 1.963 373 HG2 ARG 50 1HG ARG 50 4.320 3.152 0.811 374 HG3 ARG 50 2HG ARG 50 2.957 2.459 1.691 375 HD2 ARG 50 1HD ARG 50 2.927 4.671 2.375 376 HD3 ARG 50 2HD ARG 50 3.826 3.882 3.670 377 HE ARG 50 HE ARG 50 5.528 4.891 1.606 378 HH11 ARG 50 2HH1 ARG 50 3.747 5.750 4.471 379 HH12 ARG 50 1HH1 ARG 50 4.760 7.103 4.854 380 HH21 ARG 50 2HH2 ARG 50 6.869 6.668 2.099 381 HH22 ARG 50 1HH2 ARG 50 6.536 7.625 3.503 382 H ILE 51 H ILE 51 2.157 -0.463 1.472 383 HA ILE 51 HA ILE 51 2.987 -0.557 -1.349 384 HB ILE 51 HB ILE 51 0.691 -2.005 -0.026 385 HG12 ILE 51 1HG1 ILE 51 2.683 -3.766 -1.048 386 HG13 ILE 51 2HG1 ILE 51 3.491 -2.571 -0.040 387 HG21 ILE 51 1HG2 ILE 51 0.838 -1.360 -2.618 388 HG22 ILE 51 2HG2 ILE 51 1.780 -2.850 -2.640 389 HG23 ILE 51 3HG2 ILE 51 0.122 -2.865 -2.042 390 HD11 ILE 51 1HD1 ILE 51 1.063 -3.666 1.150 391 HD12 ILE 51 2HD1 ILE 51 2.327 -4.861 0.854 392 HD13 ILE 51 3HD1 ILE 51 2.671 -3.440 1.841 393 H ASN 52 H ASN 52 2.403 1.271 -2.344 394 HA ASN 52 HA ASN 52 -0.122 2.563 -1.659 395 HB2 ASN 52 1HB ASN 52 2.371 3.390 -3.058 396 HB3 ASN 52 2HB ASN 52 0.875 4.186 -3.537 397 HD21 ASN 52 2HD2 ASN 52 -0.013 5.685 -2.231 398 HD22 ASN 52 1HD2 ASN 52 0.664 6.185 -0.722 399 H PHE 53 H PHE 53 -1.862 2.671 -2.981 400 HA PHE 53 HA PHE 53 -1.685 1.196 -5.523 401 HB2 PHE 53 1HB PHE 53 -4.112 1.631 -3.771 402 HB3 PHE 53 2HB PHE 53 -4.063 0.686 -5.255 403 HD1 PHE 53 1HD PHE 53 -2.341 0.884 -1.954 404 HD2 PHE 53 2HD PHE 53 -3.832 -1.589 -5.080 405 HE1 PHE 53 1HE PHE 53 -1.738 -1.117 -0.654 406 HE2 PHE 53 2HE PHE 53 -3.232 -3.594 -3.785 407 HZ PHE 53 HZ PHE 53 -2.184 -3.359 -1.569 408 H SER 54 H SER 54 -3.639 1.884 -7.007 409 HA SER 54 HA SER 54 -3.313 4.756 -7.421 410 HB2 SER 54 1HB SER 54 -2.884 3.487 -9.387 411 HB3 SER 54 2HB SER 54 -4.345 2.523 -9.172 412 HG SER 54 HG SER 54 -5.555 4.161 -9.889 413 H ASN 55 H ASN 55 -5.665 2.461 -6.385 414 HA ASN 55 HA ASN 55 -7.623 4.628 -6.112 415 HB2 ASN 55 1HB ASN 55 -9.442 3.049 -6.744 416 HB3 ASN 55 2HB ASN 55 -8.339 3.398 -8.071 417 HD21 ASN 55 2HD2 ASN 55 -7.414 1.754 -9.095 418 HD22 ASN 55 1HD2 ASN 55 -7.451 0.106 -8.578 419 HA PRO 56 HA PRO 56 -7.939 3.150 -1.978 420 HB2 PRO 56 1HB PRO 56 -10.370 4.175 -1.336 421 HB3 PRO 56 2HB PRO 56 -8.918 5.171 -1.490 422 HG2 PRO 56 1HG PRO 56 -11.127 4.726 -3.460 423 HG3 PRO 56 2HG PRO 56 -10.304 6.233 -3.025 424 HD2 PRO 56 1HD PRO 56 -9.703 4.842 -5.268 425 HD3 PRO 56 2HD PRO 56 -8.491 5.782 -4.374 426 H LEU 57 H LEU 57 -9.749 1.978 -4.514 427 HA LEU 57 HA LEU 57 -11.663 0.428 -3.040 428 HB2 LEU 57 1HB LEU 57 -10.754 0.439 -5.901 429 HB3 LEU 57 2HB LEU 57 -11.898 -0.754 -5.291 430 HG LEU 57 HG LEU 57 -12.547 2.106 -4.836 431 HD11 LEU 57 1HD1 LEU 57 -11.731 2.107 -7.144 432 HD12 LEU 57 2HD1 LEU 57 -13.476 2.356 -7.069 433 HD13 LEU 57 3HD1 LEU 57 -12.829 0.782 -7.531 434 HD21 LEU 57 1HD2 LEU 57 -14.596 1.288 -4.503 435 HD22 LEU 57 2HD2 LEU 57 -13.829 -0.300 -4.474 436 HD23 LEU 57 3HD2 LEU 57 -14.539 0.310 -5.968 437 H SER 58 H SER 58 -9.004 -0.624 -5.174 438 HA SER 58 HA SER 58 -8.888 -3.256 -4.381 439 HB2 SER 58 1HB SER 58 -7.386 -1.617 -6.043 440 HB3 SER 58 2HB SER 58 -6.222 -2.161 -4.835 441 HG SER 58 HG SER 58 -6.303 -3.651 -6.514 442 H ALA 59 H ALA 59 -7.149 -0.495 -2.981 443 HA ALA 59 HA ALA 59 -5.473 -1.530 -1.187 444 HB1 ALA 59 1HB ALA 59 -7.502 0.608 -0.542 445 HB2 ALA 59 2HB ALA 59 -6.014 0.298 0.354 446 HB3 ALA 59 3HB ALA 59 -5.937 0.853 -1.319 447 H ALA 60 H ALA 60 -8.990 -1.581 -0.853 448 HA ALA 60 HA ALA 60 -9.038 -2.701 1.751 449 HB1 ALA 60 1HB ALA 60 -10.966 -1.999 -0.303 450 HB2 ALA 60 2HB ALA 60 -11.405 -3.477 0.555 451 HB3 ALA 60 3HB ALA 60 -11.128 -1.984 1.454 452 H ASP 61 H ASP 61 -9.843 -4.223 -1.378 453 HA ASP 61 HA ASP 61 -10.070 -6.826 -0.566 454 HB2 ASP 61 1HB ASP 61 -9.700 -5.463 -3.052 455 HB3 ASP 61 2HB ASP 61 -8.666 -6.888 -3.036 456 H ALA 62 H ALA 62 -7.099 -5.061 -1.301 457 HA ALA 62 HA ALA 62 -5.276 -7.153 -1.217 458 HB1 ALA 62 1HB ALA 62 -3.670 -5.331 -0.373 459 HB2 ALA 62 2HB ALA 62 -4.432 -5.109 -1.948 460 HB3 ALA 62 3HB ALA 62 -5.048 -4.242 -0.541 461 H ARG 63 H ARG 63 -6.900 -5.479 1.388 462 HA ARG 63 HA ARG 63 -5.223 -6.471 3.476 463 HB2 ARG 63 1HB ARG 63 -6.690 -4.416 3.599 464 HB3 ARG 63 2HB ARG 63 -8.069 -5.499 3.736 465 HG2 ARG 63 1HG ARG 63 -7.099 -6.451 5.782 466 HG3 ARG 63 2HG ARG 63 -5.751 -5.318 5.651 467 HD2 ARG 63 1HD ARG 63 -7.366 -3.449 5.777 468 HD3 ARG 63 2HD ARG 63 -8.664 -4.619 6.009 469 HE ARG 63 HE ARG 63 -6.497 -4.805 7.911 470 HH11 ARG 63 2HH1 ARG 63 -9.601 -3.414 7.168 471 HH12 ARG 63 1HH1 ARG 63 -10.000 -3.095 8.824 472 HH21 ARG 63 2HH2 ARG 63 -7.010 -4.389 10.094 473 HH22 ARG 63 1HH2 ARG 63 -8.525 -3.649 10.487 474 H LEU 64 H LEU 64 -8.613 -7.229 2.644 475 HA LEU 64 HA LEU 64 -8.963 -9.396 4.307 476 HB2 LEU 64 1HB LEU 64 -10.905 -9.752 3.205 477 HB3 LEU 64 2HB LEU 64 -10.533 -8.152 2.565 478 HG LEU 64 HG LEU 64 -9.426 -9.449 0.618 479 HD11 LEU 64 1HD1 LEU 64 -11.400 -11.571 1.012 480 HD12 LEU 64 2HD1 LEU 64 -10.048 -11.620 2.143 481 HD13 LEU 64 3HD1 LEU 64 -9.745 -11.654 0.406 482 HD21 LEU 64 1HD2 LEU 64 -11.313 -9.095 -0.614 483 HD22 LEU 64 2HD2 LEU 64 -11.726 -8.166 0.827 484 HD23 LEU 64 3HD2 LEU 64 -12.378 -9.790 0.608 485 H ARG 65 H ARG 65 -7.581 -9.333 1.049 486 HA ARG 65 HA ARG 65 -7.245 -12.151 0.851 487 HB2 ARG 65 1HB ARG 65 -6.403 -9.770 -0.703 488 HB3 ARG 65 2HB ARG 65 -5.425 -11.218 -0.901 489 HG2 ARG 65 1HG ARG 65 -8.135 -12.003 -1.062 490 HG3 ARG 65 2HG ARG 65 -7.928 -10.579 -2.082 491 HD2 ARG 65 1HD ARG 65 -6.459 -11.630 -3.488 492 HD3 ARG 65 2HD ARG 65 -5.886 -12.734 -2.238 493 HE ARG 65 HE ARG 65 -7.496 -14.219 -2.880 494 HH11 ARG 65 2HH1 ARG 65 -8.336 -11.064 -4.088 495 HH12 ARG 65 1HH1 ARG 65 -9.683 -11.634 -5.016 496 HH21 ARG 65 2HH2 ARG 65 -9.267 -14.983 -4.099 497 HH22 ARG 65 1HH2 ARG 65 -10.213 -13.864 -5.021 498 H LEU 66 H LEU 66 -5.492 -9.655 2.421 499 HA LEU 66 HA LEU 66 -3.300 -11.546 2.969 500 HB2 LEU 66 1HB LEU 66 -2.982 -8.560 2.973 501 HB3 LEU 66 2HB LEU 66 -1.723 -9.793 2.986 502 HG LEU 66 HG LEU 66 -3.559 -9.427 0.635 503 HD11 LEU 66 1HD1 LEU 66 -0.996 -8.307 0.141 504 HD12 LEU 66 2HD1 LEU 66 -1.668 -7.543 1.580 505 HD13 LEU 66 3HD1 LEU 66 -2.576 -7.526 0.068 506 HD21 LEU 66 1HD2 LEU 66 -2.077 -11.496 1.035 507 HD22 LEU 66 2HD2 LEU 66 -0.732 -10.424 0.644 508 HD23 LEU 66 3HD2 LEU 66 -2.009 -10.704 -0.540 509 H HIS 67 H HIS 67 -2.148 -9.505 4.811 510 HA HIS 67 HA HIS 67 -2.393 -8.695 6.953 511 HB2 HIS 67 1HB HIS 67 -4.920 -8.500 6.195 512 HB3 HIS 67 2HB HIS 67 -5.117 -9.884 7.267 513 HD1 HIS 67 1HD HIS 67 -2.518 -7.810 8.616 514 HD2 HIS 67 2HD HIS 67 -6.672 -7.739 8.653 515 HE1 HIS 67 1HE HIS 67 -3.149 -6.304 10.529 516 H LYS 68 H LYS 68 -4.095 -10.232 8.908 517 HA LYS 68 HA LYS 68 -2.337 -11.793 10.166 518 HB2 LYS 68 1HB LYS 68 -5.278 -12.331 9.769 519 HB3 LYS 68 2HB LYS 68 -4.285 -13.264 10.881 520 HG2 LYS 68 1HG LYS 68 -4.539 -11.724 12.447 521 HG3 LYS 68 2HG LYS 68 -3.873 -10.485 11.380 522 HD2 LYS 68 1HD LYS 68 -6.027 -9.724 11.966 523 HD3 LYS 68 2HD LYS 68 -6.183 -10.364 10.327 524 HE2 LYS 68 1HE LYS 68 -8.011 -11.319 11.324 525 HE3 LYS 68 2HE LYS 68 -6.807 -12.577 11.596 526 HZ1 LYS 68 1HZ LYS 68 -8.323 -11.609 13.525 527 HZ2 LYS 68 2HZ LYS 68 -7.037 -10.517 13.643 528 HZ3 LYS 68 3HZ LYS 68 -6.754 -12.177 13.804 529 H THR 69 H THR 69 -3.993 -12.652 7.213 530 HA THR 69 HA THR 69 -3.853 -15.286 6.901 531 HB THR 69 HB THR 69 -3.060 -14.969 4.546 532 HG1 THR 69 1HG THR 69 -1.661 -13.248 4.730 533 HG21 THR 69 1HG2 THR 69 -5.402 -13.951 5.801 534 HG22 THR 69 2HG2 THR 69 -5.210 -14.548 4.153 535 HG23 THR 69 3HG2 THR 69 -4.943 -12.842 4.510 536 H GLU 70 H GLU 70 -2.429 -16.897 7.072 537 HA GLU 70 HA GLU 70 0.220 -16.418 7.966 538 HB2 GLU 70 1HB GLU 70 -1.522 -18.712 7.565 539 HB3 GLU 70 2HB GLU 70 0.140 -19.064 7.111 540 HG2 GLU 70 1HG GLU 70 0.933 -18.481 9.284 541 HG3 GLU 70 2HG GLU 70 -0.652 -17.871 9.755 542 H PHE 71 H PHE 71 1.221 -15.158 6.364 543 HA PHE 71 HA PHE 71 1.438 -16.061 3.657 544 HB2 PHE 71 1HB PHE 71 1.567 -13.718 3.956 545 HB3 PHE 71 2HB PHE 71 2.771 -13.867 5.233 546 HD1 PHE 71 2HD PHE 71 2.225 -14.275 1.597 547 HD2 PHE 71 1HD PHE 71 5.063 -13.853 4.741 548 HE1 PHE 71 2HE PHE 71 4.014 -13.965 -0.064 549 HE2 PHE 71 1HE PHE 71 6.856 -13.541 3.085 550 HZ PHE 71 HZ PHE 71 6.333 -13.598 0.680 551 H LEU 72 H LEU 72 2.492 -17.915 3.287 552 HA LEU 72 HA LEU 72 4.155 -19.463 3.185 553 HB2 LEU 72 1HB LEU 72 5.602 -16.894 3.550 554 HB3 LEU 72 2HB LEU 72 6.518 -18.389 3.725 555 HG LEU 72 HG LEU 72 5.398 -18.918 1.381 556 HD11 LEU 72 1HD1 LEU 72 4.932 -16.060 1.802 557 HD12 LEU 72 2HD1 LEU 72 4.175 -17.182 0.673 558 HD13 LEU 72 3HD1 LEU 72 5.730 -16.451 0.279 559 HD21 LEU 72 1HD2 LEU 72 7.447 -17.505 0.437 560 HD22 LEU 72 2HD2 LEU 72 7.667 -19.014 1.323 561 HD23 LEU 72 3HD2 LEU 72 7.866 -17.468 2.150 562 H GLY 73 H GLY 73 2.796 -18.842 5.773 563 HA2 GLY 73 1HA GLY 73 2.974 -20.255 7.691 564 HA3 GLY 73 2HA GLY 73 4.718 -20.271 7.478 565 H LYS 74 H LYS 74 4.491 -17.252 6.991 566 HA LYS 74 HA LYS 74 4.558 -16.533 9.837 567 HB2 LYS 74 1HB LYS 74 5.944 -15.500 7.400 568 HB3 LYS 74 2HB LYS 74 5.678 -14.401 8.746 569 HG2 LYS 74 1HG LYS 74 7.028 -17.068 9.053 570 HG3 LYS 74 2HG LYS 74 7.901 -15.573 8.704 571 HD2 LYS 74 1HD LYS 74 7.558 -14.727 10.790 572 HD3 LYS 74 2HD LYS 74 6.000 -15.533 10.980 573 HE2 LYS 74 1HE LYS 74 7.250 -16.752 12.453 574 HE3 LYS 74 2HE LYS 74 7.514 -17.695 10.986 575 HZ1 LYS 74 1HZ LYS 74 9.352 -15.845 12.353 576 HZ2 LYS 74 2HZ LYS 74 9.538 -16.149 10.700 577 HZ3 LYS 74 3HZ LYS 74 9.634 -17.421 11.809 578 H GLU 75 H GLU 75 3.153 -15.116 10.684 579 HA GLU 75 HA GLU 75 0.952 -14.212 9.067 580 HB2 GLU 75 1HB GLU 75 0.270 -14.870 11.194 581 HB3 GLU 75 2HB GLU 75 1.634 -14.090 11.982 582 HG2 GLU 75 1HG GLU 75 0.677 -11.953 11.757 583 HG3 GLU 75 2HG GLU 75 -0.534 -12.532 10.614 584 H MET 76 H MET 76 0.729 -12.295 8.116 585 HA MET 76 HA MET 76 2.650 -10.175 8.809 586 HB2 MET 76 1HB MET 76 2.975 -10.827 6.545 587 HB3 MET 76 2HB MET 76 1.246 -10.833 6.224 588 HG2 MET 76 1HG MET 76 2.088 -8.239 7.124 589 HG3 MET 76 2HG MET 76 3.063 -8.769 5.755 590 HE1 MET 76 1HE MET 76 0.819 -9.422 2.970 591 HE2 MET 76 2HE MET 76 1.809 -10.342 4.103 592 HE3 MET 76 3HE MET 76 0.052 -10.498 4.140 593 H LYS 77 H LYS 77 1.945 -8.119 9.231 594 HA LYS 77 HA LYS 77 -0.942 -7.839 9.681 595 HB2 LYS 77 1HB LYS 77 1.479 -6.548 10.894 596 HB3 LYS 77 2HB LYS 77 -0.087 -5.757 11.000 597 HG2 LYS 77 1HG LYS 77 -1.013 -7.567 12.229 598 HG3 LYS 77 2HG LYS 77 0.405 -8.574 11.927 599 HD2 LYS 77 1HD LYS 77 1.184 -6.091 13.152 600 HD3 LYS 77 2HD LYS 77 -0.061 -6.886 14.118 601 HE2 LYS 77 1HE LYS 77 1.330 -8.996 13.908 602 HE3 LYS 77 2HE LYS 77 2.615 -7.970 13.270 603 HZ1 LYS 77 1HZ LYS 77 2.041 -6.630 15.461 604 HZ2 LYS 77 2HZ LYS 77 3.155 -7.902 15.451 605 HZ3 LYS 77 3HZ LYS 77 1.573 -8.168 15.987 606 H LEU 78 H LEU 78 -1.823 -5.592 9.371 607 HA LEU 78 HA LEU 78 -0.510 -4.013 7.318 608 HB2 LEU 78 1HB LEU 78 -3.009 -5.589 6.882 609 HB3 LEU 78 2HB LEU 78 -2.800 -4.043 6.062 610 HG LEU 78 HG LEU 78 -0.527 -5.870 5.768 611 HD11 LEU 78 1HD1 LEU 78 -2.225 -6.892 3.861 612 HD12 LEU 78 2HD1 LEU 78 -3.231 -6.835 5.307 613 HD13 LEU 78 3HD1 LEU 78 -1.702 -7.712 5.331 614 HD21 LEU 78 1HD2 LEU 78 -0.424 -4.961 3.648 615 HD22 LEU 78 2HD2 LEU 78 -1.125 -3.639 4.580 616 HD23 LEU 78 3HD2 LEU 78 -2.159 -4.658 3.577 617 H TYR 79 H TYR 79 -1.091 -1.887 7.355 618 HA TYR 79 HA TYR 79 -3.345 -1.112 9.073 619 HB2 TYR 79 1HB TYR 79 -0.542 0.013 9.181 620 HB3 TYR 79 2HB TYR 79 -1.931 0.757 9.964 621 HD1 TYR 79 2HD TYR 79 0.160 -2.304 9.904 622 HD2 TYR 79 1HD TYR 79 -2.674 0.012 12.074 623 HE1 TYR 79 2HE TYR 79 0.522 -3.723 11.881 624 HE2 TYR 79 1HE TYR 79 -2.319 -1.400 14.057 625 HH TYR 79 HH TYR 79 -1.521 -3.634 14.607 626 H PHE 80 H PHE 80 -4.588 0.479 8.275 627 HA PHE 80 HA PHE 80 -4.366 1.288 5.607 628 HB2 PHE 80 1HB PHE 80 -6.071 2.022 7.917 629 HB3 PHE 80 2HB PHE 80 -5.991 3.195 6.606 630 HD1 PHE 80 2HD PHE 80 -6.199 2.035 4.185 631 HD2 PHE 80 1HD PHE 80 -7.777 0.505 7.830 632 HE1 PHE 80 2HE PHE 80 -7.855 0.731 2.916 633 HE2 PHE 80 1HE PHE 80 -9.435 -0.803 6.567 634 HZ PHE 80 HZ PHE 80 -9.477 -0.689 4.106 635 H ALA 81 H ALA 81 -2.509 2.293 5.014 636 HA ALA 81 HA ALA 81 -1.018 4.128 6.449 637 HB1 ALA 81 1HB ALA 81 0.028 4.733 4.382 638 HB2 ALA 81 2HB ALA 81 -0.326 3.006 4.336 639 HB3 ALA 81 3HB ALA 81 -1.349 4.140 3.454 640 H GLN 82 H GLN 82 -1.666 5.979 7.319 641 HA GLN 82 HA GLN 82 -3.719 7.566 5.955 642 HB2 GLN 82 1HB GLN 82 -2.809 7.304 8.778 643 HB3 GLN 82 2HB GLN 82 -3.461 8.856 8.269 644 HG2 GLN 82 1HG GLN 82 -5.409 7.381 7.330 645 HG3 GLN 82 2HG GLN 82 -4.813 6.219 8.513 646 HE21 GLN 82 2HE2 GLN 82 -4.987 6.679 10.699 647 HE22 GLN 82 1HE2 GLN 82 -6.006 7.937 11.301 648 H THR 83 H THR 83 -3.454 9.992 6.182 649 HA THR 83 HA THR 83 -1.416 10.960 4.683 650 HB THR 83 HB THR 83 -1.815 13.186 5.652 651 HG1 THR 83 1HG THR 83 -3.698 12.089 7.431 652 HG21 THR 83 1HG2 THR 83 -3.394 12.380 4.002 653 HG22 THR 83 2HG2 THR 83 -4.256 13.291 5.242 654 HG23 THR 83 3HG2 THR 83 -4.306 11.529 5.248 655 H LEU 84 H LEU 84 0.629 11.785 4.979 656 HA LEU 84 HA LEU 84 2.355 10.627 6.747 657 HB2 LEU 84 1HB LEU 84 3.961 12.249 6.142 658 HB3 LEU 84 2HB LEU 84 2.927 12.008 4.735 659 HG LEU 84 HG LEU 84 1.684 14.121 5.731 660 HD11 LEU 84 1HD1 LEU 84 3.918 15.529 6.423 661 HD12 LEU 84 2HD1 LEU 84 4.193 13.981 7.221 662 HD13 LEU 84 3HD1 LEU 84 2.722 14.895 7.553 663 HD21 LEU 84 1HD2 LEU 84 4.170 14.963 4.443 664 HD22 LEU 84 2HD2 LEU 84 2.496 15.149 3.917 665 HD23 LEU 84 3HD2 LEU 84 3.352 13.635 3.618 666 H HIS 85 H HIS 85 2.987 10.911 8.810 667 HA HIS 85 HA HIS 85 2.387 13.348 10.246 668 HB2 HIS 85 1HB HIS 85 0.348 11.674 10.298 669 HB3 HIS 85 2HB HIS 85 1.323 10.857 11.516 670 HD1 HIS 85 1HD HIS 85 0.955 11.647 13.827 671 HD2 HIS 85 2HD HIS 85 -0.033 14.554 11.028 672 HE1 HIS 85 1HE HIS 85 0.025 13.570 15.154 673 H ILE 86 H ILE 86 4.163 13.769 11.363 674 HA ILE 86 HA ILE 86 6.114 11.737 11.914 675 HB ILE 86 HB ILE 86 6.757 14.050 11.313 676 HG12 ILE 86 1HG1 ILE 86 7.876 13.810 14.033 677 HG13 ILE 86 2HG1 ILE 86 7.982 12.351 13.055 678 HG21 ILE 86 1HG2 ILE 86 6.301 15.896 12.589 679 HG22 ILE 86 2HG2 ILE 86 4.846 14.944 12.883 680 HG23 ILE 86 3HG2 ILE 86 6.143 14.964 14.078 681 HD11 ILE 86 1HD1 ILE 86 9.276 13.435 11.413 682 HD12 ILE 86 2HD1 ILE 86 8.932 15.027 12.089 683 HD13 ILE 86 3HD1 ILE 86 9.960 13.898 12.971 684 H GLY 87 H GLY 87 6.682 10.842 13.855 685 HA2 GLY 87 1HA GLY 87 5.249 11.699 16.265 686 HA3 GLY 87 2HA GLY 87 5.061 10.032 15.744 687 H SER 88 H SER 88 6.009 10.402 18.212 688 HA SER 88 HA SER 88 8.617 9.215 18.062 689 HB2 SER 88 1HB SER 88 8.698 11.928 18.122 690 HB3 SER 88 2HB SER 88 8.686 11.570 19.849 691 HG SER 88 HG SER 88 10.597 10.609 19.684 692 H SER 89 H SER 89 6.360 10.873 20.260 693 HA SER 89 HA SER 89 5.355 10.184 22.187 694 HB2 SER 89 1HB SER 89 5.111 8.005 20.882 695 HB3 SER 89 2HB SER 89 6.544 7.445 21.742 696 HG SER 89 HG SER 89 4.631 6.827 22.816 697 H HIS 90 H HIS 90 5.870 9.605 24.417 698 HA HIS 90 HA HIS 90 8.604 9.108 25.144 699 HB2 HIS 90 1HB HIS 90 8.859 11.240 26.427 700 HB3 HIS 90 2HB HIS 90 8.846 11.458 24.680 701 HD1 HIS 90 1HD HIS 90 6.430 12.252 23.691 702 HD2 HIS 90 2HD HIS 90 7.083 12.803 27.756 703 HE1 HIS 90 1HE HIS 90 4.717 13.941 24.424 704 H LEU 91 H LEU 91 8.301 7.660 26.701 705 HA LEU 91 HA LEU 91 6.990 8.335 29.129 706 HB2 LEU 91 1HB LEU 91 5.104 7.732 27.497 707 HB3 LEU 91 2HB LEU 91 5.689 6.076 27.642 708 HG LEU 91 HG LEU 91 3.834 6.319 29.110 709 HD11 LEU 91 1HD1 LEU 91 6.188 6.591 30.944 710 HD12 LEU 91 2HD1 LEU 91 5.981 5.174 29.916 711 HD13 LEU 91 3HD1 LEU 91 4.755 5.577 31.117 712 HD21 LEU 91 1HD2 LEU 91 3.703 8.703 29.302 713 HD22 LEU 91 2HD2 LEU 91 5.247 8.769 30.152 714 HD23 LEU 91 3HD2 LEU 91 3.845 8.026 30.924 715 H ALA 92 H ALA 92 8.319 7.462 30.561 716 HA ALA 92 HA ALA 92 9.277 4.715 30.107 717 HB1 ALA 92 1HB ALA 92 11.272 5.867 31.602 718 HB2 ALA 92 2HB ALA 92 11.325 5.569 29.864 719 HB3 ALA 92 3HB ALA 92 10.834 7.150 30.474 720 HA PRO 93 HA PRO 93 7.769 3.833 34.141 721 HB2 PRO 93 1HB PRO 93 9.413 1.785 34.827 722 HB3 PRO 93 2HB PRO 93 8.118 1.618 33.636 723 HG2 PRO 93 1HG PRO 93 11.049 2.044 33.200 724 HG3 PRO 93 2HG PRO 93 9.938 0.953 32.350 725 HD2 PRO 93 1HD PRO 93 10.705 3.339 31.324 726 HD3 PRO 93 2HD PRO 93 9.103 2.637 31.016 727 HA PRO 94 HA PRO 94 10.227 5.925 37.134 728 HB2 PRO 94 1HB PRO 94 9.315 4.777 39.418 729 HB3 PRO 94 2HB PRO 94 8.362 5.929 38.474 730 HG2 PRO 94 1HG PRO 94 8.223 2.939 38.513 731 HG3 PRO 94 2HG PRO 94 6.901 4.120 38.501 732 HD2 PRO 94 1HD PRO 94 7.705 2.811 36.272 733 HD3 PRO 94 2HD PRO 94 7.061 4.466 36.228 734 H ASN 95 H ASN 95 12.299 5.660 37.657 735 HA ASN 95 HA ASN 95 13.364 2.969 37.990 736 HB2 ASN 95 1HB ASN 95 14.438 5.584 37.182 737 HB3 ASN 95 2HB ASN 95 15.515 4.654 38.219 738 HD21 ASN 95 2HD2 ASN 95 15.901 5.347 35.467 739 HD22 ASN 95 1HD2 ASN 95 16.021 3.867 34.585 740 HA PRO 96 HA PRO 96 13.521 3.222 42.388 741 HB2 PRO 96 1HB PRO 96 15.405 1.317 42.833 742 HB3 PRO 96 2HB PRO 96 13.746 0.936 42.355 743 HG2 PRO 96 1HG PRO 96 16.219 1.072 40.673 744 HG3 PRO 96 2HG PRO 96 14.915 -0.130 40.650 745 HD2 PRO 96 1HD PRO 96 15.076 1.879 38.841 746 HD3 PRO 96 2HD PRO 96 13.526 1.216 39.397 747 H ASP 97 H ASP 97 15.303 3.263 44.154 748 HA ASP 97 HA ASP 97 17.870 4.271 43.493 749 HB2 ASP 97 1HB ASP 97 17.433 6.574 44.549 750 HB3 ASP 97 2HB ASP 97 16.886 6.321 42.894 751 H LYS 98 H LYS 98 18.718 2.938 45.013 752 HA LYS 98 HA LYS 98 18.808 3.777 47.690 753 HB2 LYS 98 1HB LYS 98 16.543 2.173 47.076 754 HB3 LYS 98 2HB LYS 98 17.638 1.194 48.043 755 HG2 LYS 98 1HG LYS 98 17.477 3.781 49.212 756 HG3 LYS 98 2HG LYS 98 15.841 3.197 48.903 757 HD2 LYS 98 1HD LYS 98 16.090 1.369 50.297 758 HD3 LYS 98 2HD LYS 98 17.850 1.378 50.163 759 HE2 LYS 98 1HE LYS 98 17.641 3.688 51.359 760 HE3 LYS 98 2HE LYS 98 16.063 3.077 51.852 761 HZ1 LYS 98 1HZ LYS 98 17.602 2.522 53.543 762 HZ2 LYS 98 2HZ LYS 98 18.715 1.888 52.438 763 HZ3 LYS 98 3HZ LYS 98 17.254 1.084 52.723 764 H SER 99 H SER 99 19.784 1.927 49.118 765 HA SER 99 HA SER 99 21.568 0.566 49.494 766 HB2 SER 99 1HB SER 99 20.121 -1.045 48.247 767 HB3 SER 99 2HB SER 99 20.940 -0.570 46.760 768 HG SER 99 HG SER 99 22.030 -1.878 49.021 769 H GLY 100 H GLY 100 23.397 1.724 49.551 770 HA2 GLY 100 1HA GLY 100 24.832 2.098 47.003 771 HA3 GLY 100 2HA GLY 100 24.685 3.430 48.139 772 HA PRO 101 HA PRO 101 28.328 0.436 49.071 773 HB2 PRO 101 1HB PRO 101 30.327 1.636 47.681 774 HB3 PRO 101 2HB PRO 101 29.333 0.337 47.008 775 HG2 PRO 101 1HG PRO 101 29.107 3.296 46.611 776 HG3 PRO 101 2HG PRO 101 28.969 1.994 45.416 777 HD2 PRO 101 1HD PRO 101 26.808 3.226 46.482 778 HD3 PRO 101 2HD PRO 101 26.791 1.518 45.998 779 H SER 102 H SER 102 29.410 0.901 50.889 780 HA SER 102 HA SER 102 29.719 3.732 51.619 781 HB2 SER 102 1HB SER 102 28.664 1.525 53.037 782 HB3 SER 102 2HB SER 102 30.182 1.951 53.828 783 HG SER 102 HG SER 102 28.435 3.149 54.672 784 H SER 103 H SER 103 31.596 3.988 53.305 785 HA SER 103 HA SER 103 33.999 3.021 51.957 786 HB2 SER 103 1HB SER 103 33.260 5.434 53.393 787 HB3 SER 103 2HB SER 103 34.775 4.763 54.000 788 HG SER 103 HG SER 103 35.249 4.602 51.590 789 H GLY 104 H GLY 104 35.795 2.169 53.142 790 HA2 GLY 104 1HA GLY 104 35.319 1.290 55.877 791 HA3 GLY 104 2HA GLY 104 35.449 0.016 54.673 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -8.734 9.455 -11.344 2 HA2 GLY 1 1HA GLY 1 -7.986 11.435 -10.455 3 HA3 GLY 1 2HA GLY 1 -9.316 12.209 -11.306 4 H SER 2 H SER 2 -8.485 10.447 -8.351 5 HA SER 2 HA SER 2 -9.966 12.241 -6.720 6 HB2 SER 2 1HB SER 2 -11.787 10.790 -7.748 7 HB3 SER 2 2HB SER 2 -11.106 9.446 -6.833 8 HG SER 2 HG SER 2 -12.754 11.388 -5.996 9 H SER 3 H SER 3 -7.854 12.257 -5.787 10 HA SER 3 HA SER 3 -6.581 9.975 -4.736 11 HB2 SER 3 1HB SER 3 -6.185 12.856 -4.680 12 HB3 SER 3 2HB SER 3 -5.767 12.111 -3.138 13 HG SER 3 HG SER 3 -3.967 11.666 -4.137 14 H GLY 4 H GLY 4 -6.152 9.634 -2.374 15 HA2 GLY 4 1HA GLY 4 -7.755 10.569 -0.315 16 HA3 GLY 4 2HA GLY 4 -8.616 9.209 -1.021 17 H SER 5 H SER 5 -8.376 7.513 0.271 18 HA SER 5 HA SER 5 -5.727 7.020 1.458 19 HB2 SER 5 1HB SER 5 -8.515 6.460 2.397 20 HB3 SER 5 2HB SER 5 -7.199 5.420 2.946 21 HG SER 5 HG SER 5 -6.444 7.976 3.154 22 H SER 6 H SER 6 -4.700 5.780 -0.027 23 HA SER 6 HA SER 6 -6.001 3.236 -0.753 24 HB2 SER 6 1HB SER 6 -4.685 3.322 -2.882 25 HB3 SER 6 2HB SER 6 -5.894 4.599 -2.746 26 HG SER 6 HG SER 6 -3.208 4.994 -1.964 27 H GLY 7 H GLY 7 -3.173 4.891 0.370 28 HA2 GLY 7 1HA GLY 7 -1.212 2.940 0.011 29 HA3 GLY 7 2HA GLY 7 -1.222 4.128 1.306 30 H LEU 8 H LEU 8 -0.198 1.578 1.671 31 HA LEU 8 HA LEU 8 -1.882 0.663 3.840 32 HB2 LEU 8 1HB LEU 8 -1.449 -0.885 1.343 33 HB3 LEU 8 2HB LEU 8 -1.406 -1.766 2.869 34 HG LEU 8 HG LEU 8 -3.726 -0.071 1.949 35 HD11 LEU 8 1HD1 LEU 8 -2.945 -2.816 1.308 36 HD12 LEU 8 2HD1 LEU 8 -4.094 -1.744 0.509 37 HD13 LEU 8 3HD1 LEU 8 -4.586 -2.658 1.934 38 HD21 LEU 8 1HD2 LEU 8 -4.733 -1.789 3.739 39 HD22 LEU 8 2HD2 LEU 8 -4.111 -0.198 4.174 40 HD23 LEU 8 3HD2 LEU 8 -3.099 -1.627 4.382 41 H ILE 9 H ILE 9 -0.667 0.068 5.522 42 HA ILE 9 HA ILE 9 2.218 -0.227 5.094 43 HB ILE 9 HB ILE 9 0.694 0.240 7.661 44 HG12 ILE 9 1HG1 ILE 9 0.580 2.190 6.228 45 HG13 ILE 9 2HG1 ILE 9 1.715 2.508 7.536 46 HG21 ILE 9 1HG2 ILE 9 2.695 -0.916 8.190 47 HG22 ILE 9 2HG2 ILE 9 3.637 0.062 7.065 48 HG23 ILE 9 3HG2 ILE 9 2.992 0.788 8.537 49 HD11 ILE 9 1HD1 ILE 9 2.392 1.794 4.694 50 HD12 ILE 9 2HD1 ILE 9 2.601 3.360 5.478 51 HD13 ILE 9 3HD1 ILE 9 3.569 1.980 5.994 52 H ALA 10 H ALA 10 2.483 -2.350 4.526 53 HA ALA 10 HA ALA 10 1.285 -4.437 6.170 54 HB1 ALA 10 1HB ALA 10 1.334 -5.646 4.311 55 HB2 ALA 10 2HB ALA 10 2.003 -4.249 3.465 56 HB3 ALA 10 3HB ALA 10 3.082 -5.448 4.178 57 H CYS 11 H CYS 11 2.307 -5.315 7.838 58 HA CYS 11 HA CYS 11 5.198 -4.890 8.102 59 HB2 CYS 11 1HB CYS 11 3.673 -4.082 9.923 60 HB3 CYS 11 2HB CYS 11 3.241 -5.759 10.235 61 HG CYS 11 HG CYS 11 4.965 -5.534 12.204 62 H VAL 12 H VAL 12 6.410 -6.532 7.440 63 HA VAL 12 HA VAL 12 5.362 -9.263 7.626 64 HB VAL 12 HB VAL 12 7.954 -8.614 6.287 65 HG11 VAL 12 1HG1 VAL 12 7.100 -10.949 6.584 66 HG12 VAL 12 2HG1 VAL 12 5.758 -10.527 5.518 67 HG13 VAL 12 3HG1 VAL 12 7.414 -10.486 4.912 68 HG21 VAL 12 1HG2 VAL 12 6.310 -6.916 5.520 69 HG22 VAL 12 2HG2 VAL 12 6.853 -7.999 4.239 70 HG23 VAL 12 3HG2 VAL 12 5.267 -8.229 4.973 71 H ALA 13 H ALA 13 6.599 -10.951 8.533 72 HA ALA 13 HA ALA 13 8.505 -10.035 10.576 73 HB1 ALA 13 1HB ALA 13 7.542 -11.442 12.011 74 HB2 ALA 13 2HB ALA 13 6.258 -11.626 10.815 75 HB3 ALA 13 3HB ALA 13 7.594 -12.776 10.858 76 H ASN 14 H ASN 14 8.172 -11.994 7.756 77 HA ASN 14 HA ASN 14 10.502 -13.605 8.207 78 HB2 ASN 14 1HB ASN 14 8.396 -13.420 6.225 79 HB3 ASN 14 2HB ASN 14 9.972 -13.593 5.458 80 HD21 ASN 14 2HD2 ASN 14 8.070 -15.543 5.226 81 HD22 ASN 14 1HD2 ASN 14 8.567 -16.948 6.100 82 H ASP 15 H ASP 15 12.338 -12.441 8.464 83 HA ASP 15 HA ASP 15 13.060 -10.065 7.273 84 HB2 ASP 15 1HB ASP 15 14.965 -12.317 7.938 85 HB3 ASP 15 2HB ASP 15 15.350 -10.601 7.843 86 H ASP 16 H ASP 16 12.989 -13.240 5.903 87 HA ASP 16 HA ASP 16 14.791 -12.933 3.784 88 HB2 ASP 16 1HB ASP 16 13.022 -14.903 4.653 89 HB3 ASP 16 2HB ASP 16 12.449 -14.486 3.041 90 H VAL 17 H VAL 17 11.285 -12.329 3.892 91 HA VAL 17 HA VAL 17 10.713 -11.618 1.349 92 HB VAL 17 HB VAL 17 9.829 -10.103 3.810 93 HG11 VAL 17 1HG1 VAL 17 8.723 -8.740 2.453 94 HG12 VAL 17 2HG1 VAL 17 9.355 -9.595 1.045 95 HG13 VAL 17 3HG1 VAL 17 7.848 -10.122 1.794 96 HG21 VAL 17 1HG2 VAL 17 8.994 -12.159 4.267 97 HG22 VAL 17 2HG2 VAL 17 7.730 -11.632 3.156 98 HG23 VAL 17 3HG2 VAL 17 9.032 -12.673 2.579 99 H PHE 18 H PHE 18 12.704 -9.835 3.584 100 HA PHE 18 HA PHE 18 12.809 -7.487 1.885 101 HB2 PHE 18 1HB PHE 18 14.361 -8.140 4.399 102 HB3 PHE 18 2HB PHE 18 14.314 -6.575 3.595 103 HD1 PHE 18 2HD PHE 18 12.202 -9.071 5.339 104 HD2 PHE 18 1HD PHE 18 12.644 -5.025 4.094 105 HE1 PHE 18 2HE PHE 18 10.237 -8.446 6.682 106 HE2 PHE 18 1HE PHE 18 10.681 -4.393 5.436 107 HZ PHE 18 HZ PHE 18 9.474 -6.105 6.731 108 H SER 19 H SER 19 13.722 -10.001 0.777 109 HA SER 19 HA SER 19 16.557 -9.331 0.320 110 HB2 SER 19 1HB SER 19 17.099 -11.625 0.115 111 HB3 SER 19 2HB SER 19 16.051 -11.534 1.530 112 HG SER 19 HG SER 19 15.186 -13.149 0.378 113 H GLU 20 H GLU 20 17.382 -9.896 -1.824 114 HA GLU 20 HA GLU 20 15.433 -9.212 -3.867 115 HB2 GLU 20 1HB GLU 20 18.401 -9.213 -3.666 116 HB3 GLU 20 2HB GLU 20 17.700 -9.409 -5.265 117 HG2 GLU 20 1HG GLU 20 16.558 -7.322 -5.101 118 HG3 GLU 20 2HG GLU 20 17.004 -7.154 -3.404 119 H SER 21 H SER 21 17.038 -11.985 -2.659 120 HA SER 21 HA SER 21 17.459 -13.707 -4.664 121 HB2 SER 21 1HB SER 21 17.040 -14.002 -1.975 122 HB3 SER 21 2HB SER 21 15.684 -14.906 -2.646 123 HG SER 21 HG SER 21 18.449 -15.297 -3.132 124 H GLU 22 H GLU 22 14.226 -13.690 -3.165 125 HA GLU 22 HA GLU 22 12.799 -13.306 -5.562 126 HB2 GLU 22 1HB GLU 22 13.876 -15.841 -5.436 127 HB3 GLU 22 2HB GLU 22 12.250 -16.080 -4.812 128 HG2 GLU 22 1HG GLU 22 11.351 -14.994 -6.837 129 HG3 GLU 22 2HG GLU 22 12.993 -14.872 -7.466 130 H THR 23 H THR 23 12.828 -14.837 -2.382 131 HA THR 23 HA THR 23 10.277 -15.155 -1.671 132 HB THR 23 HB THR 23 12.189 -13.564 0.047 133 HG1 THR 23 1HG THR 23 13.225 -15.450 -0.543 134 HG21 THR 23 1HG2 THR 23 10.683 -13.751 1.682 135 HG22 THR 23 2HG2 THR 23 10.523 -15.485 1.405 136 HG23 THR 23 3HG2 THR 23 9.537 -14.349 0.485 137 H ARG 24 H ARG 24 11.841 -12.013 -2.063 138 HA ARG 24 HA ARG 24 9.888 -10.341 -1.056 139 HB2 ARG 24 1HB ARG 24 12.036 -9.490 -1.777 140 HB3 ARG 24 2HB ARG 24 11.691 -9.931 -3.445 141 HG2 ARG 24 1HG ARG 24 9.602 -8.324 -2.980 142 HG3 ARG 24 2HG ARG 24 10.774 -7.617 -1.865 143 HD2 ARG 24 1HD ARG 24 11.685 -8.244 -4.621 144 HD3 ARG 24 2HD ARG 24 10.603 -6.868 -4.408 145 HE ARG 24 HE ARG 24 12.686 -6.701 -2.530 146 HH11 ARG 24 2HH1 ARG 24 12.129 -6.424 -5.956 147 HH12 ARG 24 1HH1 ARG 24 13.435 -5.315 -6.211 148 HH21 ARG 24 2HH2 ARG 24 14.409 -5.241 -2.854 149 HH22 ARG 24 1HH2 ARG 24 14.732 -4.644 -4.447 150 H ALA 25 H ALA 25 10.237 -11.321 -4.471 151 HA ALA 25 HA ALA 25 8.046 -10.175 -5.584 152 HB1 ALA 25 1HB ALA 25 9.749 -12.367 -6.226 153 HB2 ALA 25 2HB ALA 25 8.085 -12.806 -6.613 154 HB3 ALA 25 3HB ALA 25 8.797 -11.350 -7.308 155 H LYS 26 H LYS 26 8.049 -13.353 -3.970 156 HA LYS 26 HA LYS 26 5.448 -14.101 -4.234 157 HB2 LYS 26 1HB LYS 26 7.208 -14.333 -1.790 158 HB3 LYS 26 2HB LYS 26 5.669 -15.167 -1.965 159 HG2 LYS 26 1HG LYS 26 6.472 -16.529 -3.688 160 HG3 LYS 26 2HG LYS 26 7.868 -15.488 -3.978 161 HD2 LYS 26 1HD LYS 26 8.343 -16.130 -1.426 162 HD3 LYS 26 2HD LYS 26 7.437 -17.566 -1.909 163 HE2 LYS 26 1HE LYS 26 9.433 -16.780 -3.873 164 HE3 LYS 26 2HE LYS 26 10.136 -17.126 -2.295 165 HZ1 LYS 26 1HZ LYS 26 9.509 -18.974 -4.166 166 HZ2 LYS 26 2HZ LYS 26 8.173 -19.055 -3.131 167 HZ3 LYS 26 3HZ LYS 26 9.732 -19.295 -2.519 168 H PHE 27 H PHE 27 6.731 -11.796 -1.867 169 HA PHE 27 HA PHE 27 4.202 -11.324 -0.627 170 HB2 PHE 27 1HB PHE 27 6.068 -10.889 0.741 171 HB3 PHE 27 2HB PHE 27 6.876 -9.951 -0.511 172 HD1 PHE 27 1HD PHE 27 5.868 -7.711 -1.159 173 HD2 PHE 27 2HD PHE 27 4.747 -9.846 2.349 174 HE1 PHE 27 1HE PHE 27 4.962 -5.638 -0.190 175 HE2 PHE 27 2HE PHE 27 3.839 -7.777 3.323 176 HZ PHE 27 HZ PHE 27 3.944 -5.670 2.053 177 H GLU 28 H GLU 28 5.967 -9.912 -3.288 178 HA GLU 28 HA GLU 28 4.395 -7.538 -3.483 179 HB2 GLU 28 1HB GLU 28 6.476 -8.877 -5.125 180 HB3 GLU 28 2HB GLU 28 5.407 -7.756 -5.957 181 HG2 GLU 28 1HG GLU 28 6.000 -6.071 -4.168 182 HG3 GLU 28 2HG GLU 28 7.268 -7.190 -3.671 183 H SER 29 H SER 29 4.599 -10.321 -5.709 184 HA SER 29 HA SER 29 2.583 -9.903 -7.399 185 HB2 SER 29 1HB SER 29 3.085 -12.513 -5.949 186 HB3 SER 29 2HB SER 29 2.138 -12.351 -7.428 187 HG SER 29 HG SER 29 4.862 -12.340 -7.067 188 H LEU 30 H LEU 30 2.169 -10.853 -4.031 189 HA LEU 30 HA LEU 30 -0.514 -11.447 -3.946 190 HB2 LEU 30 1HB LEU 30 1.252 -10.030 -1.972 191 HB3 LEU 30 2HB LEU 30 -0.430 -10.418 -1.613 192 HG LEU 30 HG LEU 30 1.593 -12.512 -2.379 193 HD11 LEU 30 1HD1 LEU 30 0.837 -12.334 0.438 194 HD12 LEU 30 2HD1 LEU 30 1.814 -10.980 -0.130 195 HD13 LEU 30 3HD1 LEU 30 2.410 -12.631 -0.302 196 HD21 LEU 30 1HD2 LEU 30 -0.114 -13.856 -0.964 197 HD22 LEU 30 2HD2 LEU 30 -0.515 -13.432 -2.629 198 HD23 LEU 30 3HD2 LEU 30 -1.194 -12.500 -1.293 199 H PHE 31 H PHE 31 0.931 -8.219 -3.486 200 HA PHE 31 HA PHE 31 -1.643 -6.935 -3.579 201 HB2 PHE 31 1HB PHE 31 1.059 -5.599 -3.764 202 HB3 PHE 31 2HB PHE 31 -0.459 -4.889 -3.226 203 HD1 PHE 31 1HD PHE 31 2.169 -7.332 -2.348 204 HD2 PHE 31 2HD PHE 31 -1.146 -5.039 -0.981 205 HE1 PHE 31 1HE PHE 31 2.727 -7.917 -0.025 206 HE2 PHE 31 2HE PHE 31 -0.593 -5.620 1.345 207 HZ PHE 31 HZ PHE 31 1.347 -7.059 1.826 208 H ARG 32 H ARG 32 1.225 -6.992 -5.685 209 HA ARG 32 HA ARG 32 0.428 -5.343 -7.710 210 HB2 ARG 32 1HB ARG 32 2.502 -7.075 -7.356 211 HB3 ARG 32 2HB ARG 32 1.621 -7.865 -8.658 212 HG2 ARG 32 1HG ARG 32 2.266 -4.955 -8.837 213 HG3 ARG 32 2HG ARG 32 3.490 -6.167 -9.220 214 HD2 ARG 32 1HD ARG 32 1.789 -7.193 -10.787 215 HD3 ARG 32 2HD ARG 32 0.822 -5.739 -10.543 216 HE ARG 32 HE ARG 32 2.263 -4.592 -11.904 217 HH11 ARG 32 2HH1 ARG 32 3.731 -7.605 -10.959 218 HH12 ARG 32 1HH1 ARG 32 5.073 -7.441 -12.044 219 HH21 ARG 32 2HH2 ARG 32 4.026 -4.365 -13.334 220 HH22 ARG 32 1HH2 ARG 32 5.240 -5.597 -13.393 221 H THR 33 H THR 33 -0.448 -8.751 -7.284 222 HA THR 33 HA THR 33 -1.747 -9.371 -9.572 223 HB THR 33 HB THR 33 -2.652 -9.961 -6.751 224 HG1 THR 33 1HG THR 33 -0.584 -10.792 -7.911 225 HG21 THR 33 1HG2 THR 33 -4.534 -10.143 -8.359 226 HG22 THR 33 2HG2 THR 33 -4.073 -11.695 -7.660 227 HG23 THR 33 3HG2 THR 33 -3.579 -11.285 -9.303 228 H TYR 34 H TYR 34 -2.995 -7.308 -6.990 229 HA TYR 34 HA TYR 34 -5.566 -6.961 -8.194 230 HB2 TYR 34 1HB TYR 34 -4.347 -5.081 -6.186 231 HB3 TYR 34 2HB TYR 34 -6.043 -5.491 -6.416 232 HD1 TYR 34 2HD TYR 34 -6.428 -8.192 -6.179 233 HD2 TYR 34 1HD TYR 34 -3.395 -5.905 -4.264 234 HE1 TYR 34 2HE TYR 34 -6.257 -9.904 -4.421 235 HE2 TYR 34 1HE TYR 34 -3.215 -7.611 -2.501 236 HH TYR 34 HH TYR 34 -5.273 -10.508 -2.529 237 H ASP 35 H ASP 35 -3.112 -4.476 -7.497 238 HA ASP 35 HA ASP 35 -3.915 -3.116 -9.978 239 HB2 ASP 35 1HB ASP 35 -3.568 -2.168 -7.328 240 HB3 ASP 35 2HB ASP 35 -2.286 -1.456 -8.305 241 H LYS 36 H LYS 36 -2.368 -2.357 -11.419 242 HA LYS 36 HA LYS 36 0.181 -3.770 -11.297 243 HB2 LYS 36 1HB LYS 36 -1.095 -2.174 -13.527 244 HB3 LYS 36 2HB LYS 36 0.420 -3.057 -13.656 245 HG2 LYS 36 1HG LYS 36 -1.072 -5.076 -12.871 246 HG3 LYS 36 2HG LYS 36 -2.368 -4.076 -13.532 247 HD2 LYS 36 1HD LYS 36 -1.407 -4.083 -15.687 248 HD3 LYS 36 2HD LYS 36 0.132 -4.700 -15.083 249 HE2 LYS 36 1HE LYS 36 -2.267 -6.369 -14.608 250 HE3 LYS 36 2HE LYS 36 -1.696 -6.250 -16.272 251 HZ1 LYS 36 1HZ LYS 36 0.553 -6.679 -14.744 252 HZ2 LYS 36 2HZ LYS 36 -0.217 -7.797 -15.753 253 HZ3 LYS 36 3HZ LYS 36 -0.609 -7.733 -14.109 254 H ASP 37 H ASP 37 -1.127 -0.557 -11.094 255 HA ASP 37 HA ASP 37 1.491 0.691 -11.319 256 HB2 ASP 37 1HB ASP 37 -1.137 1.541 -11.810 257 HB3 ASP 37 2HB ASP 37 -0.602 2.466 -10.410 258 H THR 38 H THR 38 0.822 -1.170 -9.106 259 HA THR 38 HA THR 38 0.643 0.472 -6.740 260 HB THR 38 HB THR 38 1.274 -1.844 -5.657 261 HG1 THR 38 1HG THR 38 0.159 -2.784 -8.082 262 HG21 THR 38 1HG2 THR 38 -1.299 -2.428 -6.557 263 HG22 THR 38 2HG2 THR 38 -1.196 -0.668 -6.601 264 HG23 THR 38 3HG2 THR 38 -0.867 -1.534 -5.101 265 H THR 39 H THR 39 2.265 1.152 -5.460 266 HA THR 39 HA THR 39 5.005 0.547 -6.335 267 HB THR 39 HB THR 39 5.684 2.585 -5.155 268 HG1 THR 39 1HG THR 39 4.363 3.551 -3.808 269 HG21 THR 39 1HG2 THR 39 4.397 2.456 -7.542 270 HG22 THR 39 2HG2 THR 39 5.131 3.920 -6.889 271 HG23 THR 39 3HG2 THR 39 3.403 3.636 -6.689 272 H PHE 40 H PHE 40 6.328 -0.594 -5.073 273 HA PHE 40 HA PHE 40 5.447 -1.194 -2.333 274 HB2 PHE 40 1HB PHE 40 7.368 -2.718 -4.107 275 HB3 PHE 40 2HB PHE 40 6.858 -3.200 -2.492 276 HD1 PHE 40 2HD PHE 40 5.555 -2.487 -5.895 277 HD2 PHE 40 1HD PHE 40 4.974 -4.523 -2.203 278 HE1 PHE 40 2HE PHE 40 3.644 -3.696 -6.866 279 HE2 PHE 40 1HE PHE 40 3.063 -5.735 -3.168 280 HZ PHE 40 HZ PHE 40 2.395 -5.321 -5.502 281 H GLN 41 H GLN 41 6.554 -0.385 -0.684 282 HA GLN 41 HA GLN 41 9.329 0.491 -1.152 283 HB2 GLN 41 1HB GLN 41 7.186 2.128 -0.557 284 HB3 GLN 41 2HB GLN 41 7.933 1.872 1.014 285 HG2 GLN 41 1HG GLN 41 8.933 3.805 0.164 286 HG3 GLN 41 2HG GLN 41 10.122 2.526 -0.080 287 HE21 GLN 41 2HE2 GLN 41 7.519 4.273 -1.712 288 HE22 GLN 41 1HE2 GLN 41 8.225 4.209 -3.288 289 H TYR 42 H TYR 42 10.607 -0.918 -0.145 290 HA TYR 42 HA TYR 42 9.740 -2.209 2.311 291 HB2 TYR 42 1HB TYR 42 12.117 -2.582 0.497 292 HB3 TYR 42 2HB TYR 42 11.995 -3.395 2.054 293 HD1 TYR 42 1HD TYR 42 10.338 -3.021 -1.245 294 HD2 TYR 42 2HD TYR 42 10.707 -5.354 2.295 295 HE1 TYR 42 1HE TYR 42 9.010 -4.808 -2.291 296 HE2 TYR 42 2HE TYR 42 9.381 -7.148 1.258 297 HH TYR 42 HH TYR 42 7.713 -6.700 -1.742 298 H PHE 43 H PHE 43 10.368 -1.644 4.292 299 HA PHE 43 HA PHE 43 12.498 0.376 4.540 300 HB2 PHE 43 1HB PHE 43 10.204 -0.132 6.445 301 HB3 PHE 43 2HB PHE 43 11.387 1.167 6.552 302 HD1 PHE 43 1HD PHE 43 11.527 2.182 3.846 303 HD2 PHE 43 2HD PHE 43 8.152 0.844 6.067 304 HE1 PHE 43 1HE PHE 43 10.066 3.625 2.490 305 HE2 PHE 43 2HE PHE 43 6.687 2.283 4.715 306 HZ PHE 43 HZ PHE 43 7.643 3.676 2.923 307 H LYS 44 H LYS 44 14.270 -0.883 4.887 308 HA LYS 44 HA LYS 44 14.323 -3.203 6.493 309 HB2 LYS 44 1HB LYS 44 16.014 -2.330 4.706 310 HB3 LYS 44 2HB LYS 44 16.748 -1.491 6.067 311 HG2 LYS 44 1HG LYS 44 17.620 -3.372 6.920 312 HG3 LYS 44 2HG LYS 44 16.195 -4.335 6.527 313 HD2 LYS 44 1HD LYS 44 16.904 -4.550 4.240 314 HD3 LYS 44 2HD LYS 44 18.239 -3.425 4.502 315 HE2 LYS 44 1HE LYS 44 19.532 -4.989 5.488 316 HE3 LYS 44 2HE LYS 44 18.168 -5.753 6.304 317 HZ1 LYS 44 1HZ LYS 44 19.348 -6.342 3.717 318 HZ2 LYS 44 2HZ LYS 44 17.657 -6.393 3.773 319 HZ3 LYS 44 3HZ LYS 44 18.568 -7.369 4.813 320 H SER 45 H SER 45 14.468 0.160 7.244 321 HA SER 45 HA SER 45 15.778 -0.040 9.757 322 HB2 SER 45 1HB SER 45 13.958 2.066 8.581 323 HB3 SER 45 2HB SER 45 14.738 2.234 10.155 324 HG SER 45 HG SER 45 16.323 1.569 7.949 325 H PHE 46 H PHE 46 12.388 -0.077 8.760 326 HA PHE 46 HA PHE 46 11.669 -0.885 11.501 327 HB2 PHE 46 1HB PHE 46 9.954 0.584 9.487 328 HB3 PHE 46 2HB PHE 46 9.442 0.081 11.094 329 HD1 PHE 46 2HD PHE 46 10.410 1.156 13.092 330 HD2 PHE 46 1HD PHE 46 11.264 2.534 9.156 331 HE1 PHE 46 2HE PHE 46 11.224 3.285 14.018 332 HE2 PHE 46 1HE PHE 46 12.081 4.665 10.076 333 HZ PHE 46 HZ PHE 46 12.061 5.044 12.509 334 H LYS 47 H LYS 47 12.461 -2.421 9.003 335 HA LYS 47 HA LYS 47 11.691 -4.158 7.688 336 HB2 LYS 47 1HB LYS 47 10.972 -4.824 10.531 337 HB3 LYS 47 2HB LYS 47 10.696 -5.974 9.230 338 HG2 LYS 47 1HG LYS 47 13.381 -4.738 9.760 339 HG3 LYS 47 2HG LYS 47 12.844 -6.238 10.520 340 HD2 LYS 47 1HD LYS 47 13.405 -7.391 8.704 341 HD3 LYS 47 2HD LYS 47 12.351 -6.385 7.709 342 HE2 LYS 47 1HE LYS 47 14.064 -5.179 6.904 343 HE3 LYS 47 2HE LYS 47 14.868 -5.098 8.472 344 HZ1 LYS 47 1HZ LYS 47 15.818 -7.227 8.135 345 HZ2 LYS 47 2HZ LYS 47 16.098 -6.345 6.719 346 HZ3 LYS 47 3HZ LYS 47 14.879 -7.518 6.757 347 H ARG 48 H ARG 48 9.919 -2.081 7.374 348 HA ARG 48 HA ARG 48 7.283 -3.391 7.486 349 HB2 ARG 48 1HB ARG 48 8.165 -0.590 7.839 350 HB3 ARG 48 2HB ARG 48 6.685 -0.814 6.916 351 HG2 ARG 48 1HG ARG 48 5.554 -1.754 8.713 352 HG3 ARG 48 2HG ARG 48 7.047 -2.144 9.569 353 HD2 ARG 48 1HD ARG 48 7.209 0.577 9.319 354 HD3 ARG 48 2HD ARG 48 5.479 0.324 9.546 355 HE ARG 48 HE ARG 48 6.670 -1.192 11.487 356 HH11 ARG 48 2HH1 ARG 48 6.740 2.164 10.566 357 HH12 ARG 48 1HH1 ARG 48 7.030 2.735 12.176 358 HH21 ARG 48 2HH2 ARG 48 7.052 -0.454 13.611 359 HH22 ARG 48 1HH2 ARG 48 7.208 1.244 13.908 360 H VAL 49 H VAL 49 5.797 -2.442 5.666 361 HA VAL 49 HA VAL 49 7.245 -2.131 3.146 362 HB VAL 49 HB VAL 49 5.064 -4.195 3.423 363 HG11 VAL 49 1HG1 VAL 49 5.066 -4.107 1.204 364 HG12 VAL 49 2HG1 VAL 49 6.413 -2.967 1.204 365 HG13 VAL 49 3HG1 VAL 49 6.725 -4.703 1.225 366 HG21 VAL 49 1HG2 VAL 49 6.728 -5.908 3.422 367 HG22 VAL 49 2HG2 VAL 49 8.022 -4.729 3.207 368 HG23 VAL 49 3HG2 VAL 49 7.121 -4.784 4.723 369 H ARG 50 H ARG 50 6.450 -0.291 2.371 370 HA ARG 50 HA ARG 50 3.657 0.409 2.844 371 HB2 ARG 50 1HB ARG 50 5.933 1.916 2.884 372 HB3 ARG 50 2HB ARG 50 5.323 2.253 1.269 373 HG2 ARG 50 1HG ARG 50 3.102 2.450 2.943 374 HG3 ARG 50 2HG ARG 50 4.419 3.241 3.812 375 HD2 ARG 50 1HD ARG 50 4.791 4.216 1.311 376 HD3 ARG 50 2HD ARG 50 3.039 4.025 1.335 377 HE ARG 50 HE ARG 50 3.816 5.307 3.695 378 HH11 ARG 50 2HH1 ARG 50 3.719 5.902 0.267 379 HH12 ARG 50 1HH1 ARG 50 3.540 7.617 0.437 380 HH21 ARG 50 2HH2 ARG 50 3.580 7.564 3.933 381 HH22 ARG 50 1HH2 ARG 50 3.462 8.561 2.523 382 H ILE 51 H ILE 51 2.211 -0.294 1.424 383 HA ILE 51 HA ILE 51 2.995 -0.524 -1.403 384 HB ILE 51 HB ILE 51 0.720 -1.865 0.062 385 HG12 ILE 51 1HG1 ILE 51 2.544 -3.689 -1.148 386 HG13 ILE 51 2HG1 ILE 51 3.483 -2.535 -0.207 387 HG21 ILE 51 1HG2 ILE 51 0.178 -2.982 -1.953 388 HG22 ILE 51 2HG2 ILE 51 0.312 -1.270 -2.355 389 HG23 ILE 51 3HG2 ILE 51 1.625 -2.375 -2.760 390 HD11 ILE 51 1HD1 ILE 51 1.120 -3.590 1.162 391 HD12 ILE 51 2HD1 ILE 51 2.362 -4.785 0.785 392 HD13 ILE 51 3HD1 ILE 51 2.769 -3.362 1.743 393 H ASN 52 H ASN 52 2.439 1.246 -2.498 394 HA ASN 52 HA ASN 52 -0.029 2.658 -1.810 395 HB2 ASN 52 1HB ASN 52 2.474 3.591 -2.457 396 HB3 ASN 52 2HB ASN 52 1.608 3.761 -3.981 397 HD21 ASN 52 2HD2 ASN 52 1.165 4.376 -0.518 398 HD22 ASN 52 1HD2 ASN 52 0.365 5.895 -0.716 399 H PHE 53 H PHE 53 -1.824 2.385 -2.948 400 HA PHE 53 HA PHE 53 -1.669 0.975 -5.510 401 HB2 PHE 53 1HB PHE 53 -4.065 1.546 -3.753 402 HB3 PHE 53 2HB PHE 53 -4.071 0.564 -5.214 403 HD1 PHE 53 1HD PHE 53 -2.198 0.777 -1.992 404 HD2 PHE 53 2HD PHE 53 -4.012 -1.707 -4.935 405 HE1 PHE 53 1HE PHE 53 -1.645 -1.210 -0.651 406 HE2 PHE 53 2HE PHE 53 -3.463 -3.698 -3.598 407 HZ PHE 53 HZ PHE 53 -2.279 -3.452 -1.452 408 H SER 54 H SER 54 -3.610 1.653 -7.016 409 HA SER 54 HA SER 54 -3.236 4.510 -7.520 410 HB2 SER 54 1HB SER 54 -2.796 2.814 -9.328 411 HB3 SER 54 2HB SER 54 -4.522 2.453 -9.328 412 HG SER 54 HG SER 54 -3.277 4.381 -10.625 413 H ASN 55 H ASN 55 -5.465 2.468 -6.097 414 HA ASN 55 HA ASN 55 -7.473 4.565 -6.082 415 HB2 ASN 55 1HB ASN 55 -8.355 1.777 -6.801 416 HB3 ASN 55 2HB ASN 55 -9.264 3.281 -6.924 417 HD21 ASN 55 2HD2 ASN 55 -7.201 1.095 -8.495 418 HD22 ASN 55 1HD2 ASN 55 -7.005 1.971 -9.971 419 HA PRO 56 HA PRO 56 -7.851 3.226 -1.907 420 HB2 PRO 56 1HB PRO 56 -10.282 4.287 -1.328 421 HB3 PRO 56 2HB PRO 56 -8.822 5.268 -1.498 422 HG2 PRO 56 1HG PRO 56 -11.011 4.771 -3.479 423 HG3 PRO 56 2HG PRO 56 -10.183 6.289 -3.083 424 HD2 PRO 56 1HD PRO 56 -9.564 4.819 -5.272 425 HD3 PRO 56 2HD PRO 56 -8.357 5.780 -4.395 426 H LEU 57 H LEU 57 -9.575 1.939 -4.421 427 HA LEU 57 HA LEU 57 -11.494 0.428 -2.873 428 HB2 LEU 57 1HB LEU 57 -10.716 0.458 -5.774 429 HB3 LEU 57 2HB LEU 57 -11.835 -0.736 -5.117 430 HG LEU 57 HG LEU 57 -12.429 2.143 -4.659 431 HD11 LEU 57 1HD1 LEU 57 -13.705 2.026 -6.886 432 HD12 LEU 57 2HD1 LEU 57 -12.570 0.744 -7.304 433 HD13 LEU 57 3HD1 LEU 57 -11.974 2.360 -6.930 434 HD21 LEU 57 1HD2 LEU 57 -13.874 0.511 -3.657 435 HD22 LEU 57 2HD2 LEU 57 -14.063 -0.333 -5.194 436 HD23 LEU 57 3HD2 LEU 57 -14.739 1.284 -4.986 437 H SER 58 H SER 58 -8.868 -0.551 -5.085 438 HA SER 58 HA SER 58 -8.717 -3.205 -4.408 439 HB2 SER 58 1HB SER 58 -7.154 -1.404 -5.897 440 HB3 SER 58 2HB SER 58 -6.045 -2.166 -4.758 441 HG SER 58 HG SER 58 -7.349 -4.163 -5.571 442 H ALA 59 H ALA 59 -6.990 -0.509 -2.866 443 HA ALA 59 HA ALA 59 -5.372 -1.687 -1.080 444 HB1 ALA 59 1HB ALA 59 -5.696 0.163 0.411 445 HB2 ALA 59 2HB ALA 59 -5.811 0.753 -1.248 446 HB3 ALA 59 3HB ALA 59 -7.275 0.513 -0.294 447 H ALA 60 H ALA 60 -8.883 -1.627 -0.889 448 HA ALA 60 HA ALA 60 -9.076 -2.723 1.726 449 HB1 ALA 60 1HB ALA 60 -11.422 -3.414 0.462 450 HB2 ALA 60 2HB ALA 60 -11.118 -1.913 1.337 451 HB3 ALA 60 3HB ALA 60 -10.899 -1.973 -0.412 452 H ASP 61 H ASP 61 -9.804 -4.217 -1.435 453 HA ASP 61 HA ASP 61 -10.090 -6.825 -0.552 454 HB2 ASP 61 1HB ASP 61 -10.073 -5.528 -3.021 455 HB3 ASP 61 2HB ASP 61 -8.782 -6.721 -3.144 456 H ALA 62 H ALA 62 -7.196 -4.974 -1.104 457 HA ALA 62 HA ALA 62 -5.347 -7.097 -1.265 458 HB1 ALA 62 1HB ALA 62 -4.717 -4.402 -0.101 459 HB2 ALA 62 2HB ALA 62 -3.664 -5.482 -1.015 460 HB3 ALA 62 3HB ALA 62 -4.983 -4.638 -1.829 461 H ARG 63 H ARG 63 -7.035 -5.671 1.394 462 HA ARG 63 HA ARG 63 -5.233 -6.687 3.409 463 HB2 ARG 63 1HB ARG 63 -6.708 -4.583 3.573 464 HB3 ARG 63 2HB ARG 63 -8.030 -5.695 3.899 465 HG2 ARG 63 1HG ARG 63 -6.785 -6.572 5.832 466 HG3 ARG 63 2HG ARG 63 -5.511 -5.393 5.519 467 HD2 ARG 63 1HD ARG 63 -6.686 -3.707 6.419 468 HD3 ARG 63 2HD ARG 63 -8.194 -4.237 5.672 469 HE ARG 63 HE ARG 63 -7.397 -4.691 8.339 470 HH11 ARG 63 2HH1 ARG 63 -8.948 -6.286 5.660 471 HH12 ARG 63 1HH1 ARG 63 -9.889 -7.339 6.663 472 HH21 ARG 63 2HH2 ARG 63 -8.631 -6.072 9.670 473 HH22 ARG 63 1HH2 ARG 63 -9.709 -7.216 8.944 474 H LEU 64 H LEU 64 -8.695 -7.270 2.761 475 HA LEU 64 HA LEU 64 -9.128 -9.437 4.344 476 HB2 LEU 64 1HB LEU 64 -11.051 -9.734 3.201 477 HB3 LEU 64 2HB LEU 64 -10.603 -8.169 2.526 478 HG LEU 64 HG LEU 64 -9.457 -9.641 0.680 479 HD11 LEU 64 1HD1 LEU 64 -11.704 -11.497 1.086 480 HD12 LEU 64 2HD1 LEU 64 -10.352 -11.679 2.205 481 HD13 LEU 64 3HD1 LEU 64 -10.080 -11.793 0.466 482 HD21 LEU 64 1HD2 LEU 64 -11.106 -8.871 -0.615 483 HD22 LEU 64 2HD2 LEU 64 -11.788 -8.201 0.867 484 HD23 LEU 64 3HD2 LEU 64 -12.341 -9.766 0.271 485 H ARG 65 H ARG 65 -7.557 -9.418 1.186 486 HA ARG 65 HA ARG 65 -7.315 -12.266 1.032 487 HB2 ARG 65 1HB ARG 65 -6.373 -9.939 -0.561 488 HB3 ARG 65 2HB ARG 65 -5.475 -11.442 -0.728 489 HG2 ARG 65 1HG ARG 65 -8.196 -12.123 -0.897 490 HG3 ARG 65 2HG ARG 65 -7.969 -10.687 -1.896 491 HD2 ARG 65 1HD ARG 65 -6.673 -11.773 -3.394 492 HD3 ARG 65 2HD ARG 65 -5.903 -12.770 -2.160 493 HE ARG 65 HE ARG 65 -7.401 -14.410 -2.656 494 HH11 ARG 65 2HH1 ARG 65 -8.744 -11.358 -3.654 495 HH12 ARG 65 1HH1 ARG 65 -10.155 -12.063 -4.369 496 HH21 ARG 65 2HH2 ARG 65 -9.255 -15.352 -3.594 497 HH22 ARG 65 1HH2 ARG 65 -10.445 -14.336 -4.333 498 H LEU 66 H LEU 66 -5.378 -9.656 2.299 499 HA LEU 66 HA LEU 66 -3.260 -11.583 2.988 500 HB2 LEU 66 1HB LEU 66 -2.963 -8.596 2.994 501 HB3 LEU 66 2HB LEU 66 -1.695 -9.821 3.003 502 HG LEU 66 HG LEU 66 -3.536 -9.397 0.660 503 HD11 LEU 66 1HD1 LEU 66 -1.803 -8.062 -0.362 504 HD12 LEU 66 2HD1 LEU 66 -0.791 -8.221 1.073 505 HD13 LEU 66 3HD1 LEU 66 -2.305 -7.319 1.157 506 HD21 LEU 66 1HD2 LEU 66 -0.769 -10.523 0.587 507 HD22 LEU 66 2HD2 LEU 66 -2.118 -10.788 -0.517 508 HD23 LEU 66 3HD2 LEU 66 -2.122 -11.541 1.079 509 H HIS 67 H HIS 67 -2.112 -9.570 4.839 510 HA HIS 67 HA HIS 67 -2.363 -8.757 6.981 511 HB2 HIS 67 1HB HIS 67 -4.893 -8.564 6.206 512 HB3 HIS 67 2HB HIS 67 -5.089 -9.929 7.302 513 HD1 HIS 67 1HD HIS 67 -2.490 -7.936 8.690 514 HD2 HIS 67 2HD HIS 67 -6.634 -7.658 8.573 515 HE1 HIS 67 1HE HIS 67 -3.111 -6.372 10.558 516 H LYS 68 H LYS 68 -4.057 -10.269 8.944 517 HA LYS 68 HA LYS 68 -2.316 -11.853 10.193 518 HB2 LYS 68 1HB LYS 68 -5.270 -12.295 9.816 519 HB3 LYS 68 2HB LYS 68 -4.308 -13.329 10.863 520 HG2 LYS 68 1HG LYS 68 -4.091 -11.746 12.459 521 HG3 LYS 68 2HG LYS 68 -4.049 -10.420 11.294 522 HD2 LYS 68 1HD LYS 68 -6.609 -11.870 11.489 523 HD3 LYS 68 2HD LYS 68 -6.146 -10.942 12.918 524 HE2 LYS 68 1HE LYS 68 -5.612 -9.119 11.041 525 HE3 LYS 68 2HE LYS 68 -6.868 -10.021 10.195 526 HZ1 LYS 68 1HZ LYS 68 -8.094 -9.743 12.472 527 HZ2 LYS 68 2HZ LYS 68 -8.118 -8.503 11.321 528 HZ3 LYS 68 3HZ LYS 68 -7.060 -8.413 12.637 529 H THR 69 H THR 69 -4.015 -12.710 7.259 530 HA THR 69 HA THR 69 -3.886 -15.346 6.953 531 HB THR 69 HB THR 69 -3.182 -15.060 4.590 532 HG1 THR 69 1HG THR 69 -2.835 -12.325 5.327 533 HG21 THR 69 1HG2 THR 69 -5.317 -14.521 4.254 534 HG22 THR 69 2HG2 THR 69 -4.942 -12.829 4.578 535 HG23 THR 69 3HG2 THR 69 -5.424 -13.894 5.898 536 H GLU 70 H GLU 70 -2.466 -16.950 7.160 537 HA GLU 70 HA GLU 70 0.185 -16.496 8.017 538 HB2 GLU 70 1HB GLU 70 -1.557 -18.776 7.581 539 HB3 GLU 70 2HB GLU 70 0.093 -19.123 7.086 540 HG2 GLU 70 1HG GLU 70 0.917 -18.520 9.274 541 HG3 GLU 70 2HG GLU 70 -0.705 -18.055 9.782 542 H PHE 71 H PHE 71 1.251 -15.236 6.489 543 HA PHE 71 HA PHE 71 1.448 -16.047 3.743 544 HB2 PHE 71 1HB PHE 71 1.605 -13.718 4.104 545 HB3 PHE 71 2HB PHE 71 2.788 -13.913 5.392 546 HD1 PHE 71 2HD PHE 71 2.272 -14.071 1.748 547 HD2 PHE 71 1HD PHE 71 5.106 -14.050 4.925 548 HE1 PHE 71 2HE PHE 71 4.088 -13.733 0.123 549 HE2 PHE 71 1HE PHE 71 6.925 -13.711 3.305 550 HZ PHE 71 HZ PHE 71 6.418 -13.553 0.900 551 H LEU 72 H LEU 72 2.420 -17.980 3.447 552 HA LEU 72 HA LEU 72 4.072 -19.535 3.291 553 HB2 LEU 72 1HB LEU 72 5.539 -16.978 3.589 554 HB3 LEU 72 2HB LEU 72 6.458 -18.462 3.828 555 HG LEU 72 HG LEU 72 4.901 -18.608 1.405 556 HD11 LEU 72 1HD1 LEU 72 5.544 -16.788 0.208 557 HD12 LEU 72 2HD1 LEU 72 7.008 -16.538 1.159 558 HD13 LEU 72 3HD1 LEU 72 5.443 -16.042 1.802 559 HD21 LEU 72 1HD2 LEU 72 7.842 -18.428 1.325 560 HD22 LEU 72 2HD2 LEU 72 6.757 -19.643 0.648 561 HD23 LEU 72 3HD2 LEU 72 7.176 -19.690 2.362 562 H GLY 73 H GLY 73 2.808 -18.752 5.941 563 HA2 GLY 73 1HA GLY 73 3.025 -20.287 7.817 564 HA3 GLY 73 2HA GLY 73 4.769 -20.176 7.627 565 H LYS 74 H LYS 74 4.592 -17.238 7.200 566 HA LYS 74 HA LYS 74 4.411 -16.510 10.033 567 HB2 LYS 74 1HB LYS 74 5.788 -15.210 7.682 568 HB3 LYS 74 2HB LYS 74 5.657 -14.440 9.258 569 HG2 LYS 74 1HG LYS 74 6.797 -17.184 9.092 570 HG3 LYS 74 2HG LYS 74 7.786 -15.810 8.594 571 HD2 LYS 74 1HD LYS 74 7.992 -15.025 10.707 572 HD3 LYS 74 2HD LYS 74 6.359 -15.516 11.161 573 HE2 LYS 74 1HE LYS 74 7.468 -17.932 10.878 574 HE3 LYS 74 2HE LYS 74 8.912 -17.013 11.303 575 HZ1 LYS 74 1HZ LYS 74 7.151 -18.051 13.067 576 HZ2 LYS 74 2HZ LYS 74 6.640 -16.441 12.974 577 HZ3 LYS 74 3HZ LYS 74 8.237 -16.797 13.405 578 H GLU 75 H GLU 75 3.101 -14.899 10.781 579 HA GLU 75 HA GLU 75 0.925 -14.104 9.032 580 HB2 GLU 75 1HB GLU 75 0.237 -14.836 11.185 581 HB3 GLU 75 2HB GLU 75 1.420 -13.816 11.991 582 HG2 GLU 75 1HG GLU 75 -0.193 -12.095 10.474 583 HG3 GLU 75 2HG GLU 75 -1.283 -13.234 11.262 584 H MET 76 H MET 76 0.751 -12.192 8.063 585 HA MET 76 HA MET 76 2.648 -10.078 8.822 586 HB2 MET 76 1HB MET 76 3.013 -10.636 6.566 587 HB3 MET 76 2HB MET 76 1.292 -10.762 6.227 588 HG2 MET 76 1HG MET 76 2.006 -8.113 7.131 589 HG3 MET 76 2HG MET 76 2.940 -8.597 5.716 590 HE1 MET 76 1HE MET 76 0.045 -10.504 4.243 591 HE2 MET 76 2HE MET 76 0.548 -9.330 3.027 592 HE3 MET 76 3HE MET 76 1.756 -10.131 4.032 593 H LYS 77 H LYS 77 1.958 -8.010 9.238 594 HA LYS 77 HA LYS 77 -0.917 -7.724 9.735 595 HB2 LYS 77 1HB LYS 77 1.540 -6.612 10.960 596 HB3 LYS 77 2HB LYS 77 0.156 -5.528 10.881 597 HG2 LYS 77 1HG LYS 77 -0.251 -8.280 11.934 598 HG3 LYS 77 2HG LYS 77 0.555 -7.087 12.954 599 HD2 LYS 77 1HD LYS 77 -1.568 -5.659 12.019 600 HD3 LYS 77 2HD LYS 77 -2.257 -7.280 12.130 601 HE2 LYS 77 1HE LYS 77 -1.639 -7.435 14.452 602 HE3 LYS 77 2HE LYS 77 -0.774 -5.902 14.365 603 HZ1 LYS 77 1HZ LYS 77 -3.375 -5.440 13.487 604 HZ2 LYS 77 2HZ LYS 77 -2.647 -4.885 14.909 605 HZ3 LYS 77 3HZ LYS 77 -3.497 -6.348 14.909 606 H LEU 78 H LEU 78 -1.850 -5.527 9.370 607 HA LEU 78 HA LEU 78 -0.588 -3.955 7.278 608 HB2 LEU 78 1HB LEU 78 -3.058 -5.589 6.900 609 HB3 LEU 78 2HB LEU 78 -2.893 -4.054 6.052 610 HG LEU 78 HG LEU 78 -0.610 -5.897 5.780 611 HD11 LEU 78 1HD1 LEU 78 -3.350 -6.739 5.180 612 HD12 LEU 78 2HD1 LEU 78 -1.877 -7.693 5.353 613 HD13 LEU 78 3HD1 LEU 78 -2.228 -6.882 3.827 614 HD21 LEU 78 1HD2 LEU 78 -2.164 -4.610 3.575 615 HD22 LEU 78 2HD2 LEU 78 -0.435 -4.947 3.684 616 HD23 LEU 78 3HD2 LEU 78 -1.138 -3.627 4.620 617 H TYR 79 H TYR 79 -0.923 -1.866 7.653 618 HA TYR 79 HA TYR 79 -3.271 -1.093 9.258 619 HB2 TYR 79 1HB TYR 79 -0.620 0.350 9.268 620 HB3 TYR 79 2HB TYR 79 -1.975 0.579 10.366 621 HD1 TYR 79 1HD TYR 79 -2.637 -1.517 11.790 622 HD2 TYR 79 2HD TYR 79 1.149 -0.997 9.920 623 HE1 TYR 79 1HE TYR 79 -1.649 -3.139 13.354 624 HE2 TYR 79 2HE TYR 79 2.147 -2.619 11.478 625 HH TYR 79 HH TYR 79 0.982 -4.725 12.938 626 H PHE 80 H PHE 80 -4.565 0.428 8.434 627 HA PHE 80 HA PHE 80 -4.346 1.271 5.777 628 HB2 PHE 80 1HB PHE 80 -6.112 1.874 8.065 629 HB3 PHE 80 2HB PHE 80 -6.034 3.123 6.826 630 HD1 PHE 80 1HD PHE 80 -5.929 1.815 4.337 631 HD2 PHE 80 2HD PHE 80 -8.004 0.607 7.851 632 HE1 PHE 80 1HE PHE 80 -7.522 0.546 2.956 633 HE2 PHE 80 2HE PHE 80 -9.600 -0.665 6.476 634 HZ PHE 80 HZ PHE 80 -9.359 -0.697 4.026 635 H ALA 81 H ALA 81 -2.672 2.454 5.086 636 HA ALA 81 HA ALA 81 -1.175 4.275 6.570 637 HB1 ALA 81 1HB ALA 81 -0.215 3.457 4.587 638 HB2 ALA 81 2HB ALA 81 -1.592 3.970 3.611 639 HB3 ALA 81 3HB ALA 81 -0.497 5.173 4.291 640 H GLN 82 H GLN 82 -0.949 6.667 5.759 641 HA GLN 82 HA GLN 82 -3.283 8.054 4.960 642 HB2 GLN 82 1HB GLN 82 -3.029 7.447 7.782 643 HB3 GLN 82 2HB GLN 82 -3.049 9.184 7.506 644 HG2 GLN 82 1HG GLN 82 -5.146 9.008 6.319 645 HG3 GLN 82 2HG GLN 82 -5.114 7.252 6.477 646 HE21 GLN 82 2HE2 GLN 82 -7.296 7.920 7.394 647 HE22 GLN 82 1HE2 GLN 82 -7.359 8.176 9.101 648 H THR 83 H THR 83 -0.531 8.524 7.183 649 HA THR 83 HA THR 83 0.714 10.368 5.348 650 HB THR 83 HB THR 83 0.844 12.208 7.073 651 HG1 THR 83 1HG THR 83 -1.094 12.088 8.537 652 HG21 THR 83 1HG2 THR 83 -0.815 11.972 5.053 653 HG22 THR 83 2HG2 THR 83 -1.025 13.267 6.233 654 HG23 THR 83 3HG2 THR 83 -2.022 11.816 6.330 655 H LEU 84 H LEU 84 0.693 9.460 8.800 656 HA LEU 84 HA LEU 84 3.173 8.134 8.703 657 HB2 LEU 84 1HB LEU 84 3.366 10.952 8.812 658 HB3 LEU 84 2HB LEU 84 3.813 10.338 10.403 659 HG LEU 84 HG LEU 84 5.069 9.230 7.915 660 HD11 LEU 84 1HD1 LEU 84 6.480 11.358 9.408 661 HD12 LEU 84 2HD1 LEU 84 5.190 11.864 8.318 662 HD13 LEU 84 3HD1 LEU 84 6.551 10.929 7.699 663 HD21 LEU 84 1HD2 LEU 84 6.964 8.979 9.618 664 HD22 LEU 84 2HD2 LEU 84 5.564 7.918 9.787 665 HD23 LEU 84 3HD2 LEU 84 5.739 9.324 10.839 666 H HIS 85 H HIS 85 3.624 7.067 10.610 667 HA HIS 85 HA HIS 85 1.468 6.947 12.509 668 HB2 HIS 85 1HB HIS 85 3.292 5.123 11.594 669 HB3 HIS 85 2HB HIS 85 3.954 5.522 13.177 670 HD1 HIS 85 1HD HIS 85 0.516 4.615 11.798 671 HD2 HIS 85 2HD HIS 85 2.950 3.915 15.092 672 HE1 HIS 85 1HE HIS 85 -0.771 3.023 13.260 673 H ILE 86 H ILE 86 1.801 7.082 14.845 674 HA ILE 86 HA ILE 86 3.543 9.344 15.500 675 HB ILE 86 HB ILE 86 1.264 8.135 17.071 676 HG12 ILE 86 1HG1 ILE 86 0.955 10.888 16.225 677 HG13 ILE 86 2HG1 ILE 86 1.221 9.831 14.843 678 HG21 ILE 86 1HG2 ILE 86 1.726 10.650 18.069 679 HG22 ILE 86 2HG2 ILE 86 2.241 9.136 18.812 680 HG23 ILE 86 3HG2 ILE 86 3.354 10.036 17.781 681 HD11 ILE 86 1HD1 ILE 86 -1.019 9.641 14.965 682 HD12 ILE 86 2HD1 ILE 86 -0.614 8.391 16.141 683 HD13 ILE 86 3HD1 ILE 86 -1.068 10.004 16.690 684 H GLY 87 H GLY 87 5.350 9.077 16.632 685 HA2 GLY 87 1HA GLY 87 6.024 6.450 17.650 686 HA3 GLY 87 2HA GLY 87 7.080 7.855 17.599 687 H SER 88 H SER 88 7.412 6.592 19.801 688 HA SER 88 HA SER 88 7.354 6.716 22.072 689 HB2 SER 88 1HB SER 88 7.624 9.153 21.591 690 HB3 SER 88 2HB SER 88 5.868 9.318 21.640 691 HG SER 88 HG SER 88 7.669 8.773 23.724 692 H SER 89 H SER 89 5.963 6.461 23.927 693 HA SER 89 HA SER 89 3.350 5.414 23.157 694 HB2 SER 89 1HB SER 89 4.936 5.151 25.722 695 HB3 SER 89 2HB SER 89 3.359 4.413 25.444 696 HG SER 89 HG SER 89 5.234 3.911 23.489 697 H HIS 90 H HIS 90 4.733 7.534 25.662 698 HA HIS 90 HA HIS 90 3.855 9.264 26.851 699 HB2 HIS 90 1HB HIS 90 3.457 10.312 24.717 700 HB3 HIS 90 2HB HIS 90 1.998 9.358 24.468 701 HD1 HIS 90 1HD HIS 90 3.100 12.576 25.650 702 HD2 HIS 90 2HD HIS 90 -0.079 10.035 26.485 703 HE1 HIS 90 1HE HIS 90 1.375 14.009 26.789 704 H LEU 91 H LEU 91 3.102 8.368 28.697 705 HA LEU 91 HA LEU 91 0.269 8.151 29.035 706 HB2 LEU 91 1HB LEU 91 0.220 5.828 29.766 707 HB3 LEU 91 2HB LEU 91 0.699 5.963 28.074 708 HG LEU 91 HG LEU 91 2.756 5.666 30.237 709 HD11 LEU 91 1HD1 LEU 91 2.111 3.598 30.699 710 HD12 LEU 91 2HD1 LEU 91 2.297 3.169 28.998 711 HD13 LEU 91 3HD1 LEU 91 0.744 3.753 29.595 712 HD21 LEU 91 1HD2 LEU 91 2.971 6.163 27.575 713 HD22 LEU 91 2HD2 LEU 91 3.066 4.403 27.606 714 HD23 LEU 91 3HD2 LEU 91 4.205 5.364 28.549 715 H ALA 92 H ALA 92 3.487 7.520 30.344 716 HA ALA 92 HA ALA 92 4.423 8.029 32.359 717 HB1 ALA 92 1HB ALA 92 3.512 9.767 33.691 718 HB2 ALA 92 2HB ALA 92 3.174 10.188 32.012 719 HB3 ALA 92 3HB ALA 92 1.896 9.521 33.029 720 HA PRO 93 HA PRO 93 2.014 4.551 34.205 721 HB2 PRO 93 1HB PRO 93 4.196 3.006 34.678 722 HB3 PRO 93 2HB PRO 93 3.347 3.021 33.127 723 HG2 PRO 93 1HG PRO 93 5.855 4.446 33.927 724 HG3 PRO 93 2HG PRO 93 5.490 3.583 32.421 725 HD2 PRO 93 1HD PRO 93 5.373 6.282 32.619 726 HD3 PRO 93 2HD PRO 93 4.305 5.356 31.545 727 HA PRO 94 HA PRO 94 2.758 5.493 38.435 728 HB2 PRO 94 1HB PRO 94 2.412 3.088 39.646 729 HB3 PRO 94 2HB PRO 94 1.075 4.023 38.965 730 HG2 PRO 94 1HG PRO 94 2.555 1.701 37.791 731 HG3 PRO 94 2HG PRO 94 0.813 2.028 37.799 732 HD2 PRO 94 1HD PRO 94 2.378 2.517 35.644 733 HD3 PRO 94 2HD PRO 94 0.956 3.504 36.035 734 H ASN 95 H ASN 95 4.975 6.055 38.354 735 HA ASN 95 HA ASN 95 7.113 4.252 38.320 736 HB2 ASN 95 1HB ASN 95 8.334 6.208 39.511 737 HB3 ASN 95 2HB ASN 95 7.703 6.472 37.887 738 HD21 ASN 95 2HD2 ASN 95 7.269 7.135 41.277 739 HD22 ASN 95 1HD2 ASN 95 6.183 8.465 41.081 740 HA PRO 96 HA PRO 96 7.025 2.422 42.324 741 HB2 PRO 96 1HB PRO 96 9.631 1.684 42.508 742 HB3 PRO 96 2HB PRO 96 8.469 0.851 41.469 743 HG2 PRO 96 1HG PRO 96 10.505 2.924 40.752 744 HG3 PRO 96 2HG PRO 96 10.078 1.432 39.894 745 HD2 PRO 96 1HD PRO 96 9.159 3.864 39.135 746 HD3 PRO 96 2HD PRO 96 8.212 2.377 38.924 747 H ASP 97 H ASP 97 8.030 2.587 44.465 748 HA ASP 97 HA ASP 97 8.741 3.780 46.267 749 HB2 ASP 97 1HB ASP 97 10.790 3.923 44.439 750 HB3 ASP 97 2HB ASP 97 10.498 5.621 44.808 751 H LYS 98 H LYS 98 8.017 5.516 47.393 752 HA LYS 98 HA LYS 98 7.278 7.962 46.013 753 HB2 LYS 98 1HB LYS 98 5.347 5.935 46.681 754 HB3 LYS 98 2HB LYS 98 5.032 7.388 47.620 755 HG2 LYS 98 1HG LYS 98 4.903 8.710 45.601 756 HG3 LYS 98 2HG LYS 98 5.329 7.303 44.625 757 HD2 LYS 98 1HD LYS 98 3.146 6.890 44.445 758 HD3 LYS 98 2HD LYS 98 3.160 6.471 46.160 759 HE2 LYS 98 1HE LYS 98 3.027 9.189 46.260 760 HE3 LYS 98 2HE LYS 98 2.103 8.847 44.799 761 HZ1 LYS 98 1HZ LYS 98 1.602 7.535 47.413 762 HZ2 LYS 98 2HZ LYS 98 0.645 7.439 46.021 763 HZ3 LYS 98 3HZ LYS 98 0.762 8.899 46.866 764 H SER 99 H SER 99 6.268 9.538 47.684 765 HA SER 99 HA SER 99 8.152 9.960 49.717 766 HB2 SER 99 1HB SER 99 5.803 11.297 48.693 767 HB3 SER 99 2HB SER 99 5.835 11.372 50.455 768 HG SER 99 HG SER 99 8.009 12.168 50.253 769 H GLY 100 H GLY 100 4.803 8.767 49.887 770 HA2 GLY 100 1HA GLY 100 3.736 7.498 51.474 771 HA3 GLY 100 2HA GLY 100 5.331 6.978 51.998 772 HA PRO 101 HA PRO 101 4.041 10.930 54.531 773 HB2 PRO 101 1HB PRO 101 1.361 11.339 54.666 774 HB3 PRO 101 2HB PRO 101 2.386 12.086 53.436 775 HG2 PRO 101 1HG PRO 101 0.645 9.659 53.231 776 HG3 PRO 101 2HG PRO 101 0.854 10.987 52.075 777 HD2 PRO 101 1HD PRO 101 2.089 8.594 51.786 778 HD3 PRO 101 2HD PRO 101 2.819 10.118 51.241 779 H SER 102 H SER 102 4.623 9.793 56.331 780 HA SER 102 HA SER 102 2.445 8.527 57.827 781 HB2 SER 102 1HB SER 102 4.046 6.872 56.556 782 HB3 SER 102 2HB SER 102 5.151 7.239 57.880 783 HG SER 102 HG SER 102 3.580 5.396 58.096 784 H SER 103 H SER 103 3.616 7.805 60.090 785 HA SER 103 HA SER 103 5.624 9.403 61.166 786 HB2 SER 103 1HB SER 103 3.362 10.942 60.673 787 HB3 SER 103 2HB SER 103 3.248 10.564 62.392 788 HG SER 103 HG SER 103 4.880 12.296 61.148 789 H GLY 104 H GLY 104 5.846 9.163 63.471 790 HA2 GLY 104 1HA GLY 104 5.046 8.291 65.570 791 HA3 GLY 104 2HA GLY 104 4.018 7.186 64.669 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -8.046 7.877 -14.050 2 HA2 GLY 1 1HA GLY 1 -9.782 8.028 -12.508 3 HA3 GLY 1 2HA GLY 1 -8.963 6.835 -11.510 4 H SER 2 H SER 2 -10.221 9.235 -10.593 5 HA SER 2 HA SER 2 -8.580 11.403 -10.153 6 HB2 SER 2 1HB SER 2 -9.941 11.885 -8.192 7 HB3 SER 2 2HB SER 2 -10.970 11.272 -9.485 8 HG SER 2 HG SER 2 -9.907 9.436 -7.667 9 H SER 3 H SER 3 -7.007 11.954 -8.695 10 HA SER 3 HA SER 3 -5.614 9.726 -7.446 11 HB2 SER 3 1HB SER 3 -4.556 11.664 -8.853 12 HB3 SER 3 2HB SER 3 -4.650 12.566 -7.341 13 HG SER 3 HG SER 3 -3.223 11.223 -6.427 14 H GLY 4 H GLY 4 -4.718 9.990 -5.244 15 HA2 GLY 4 1HA GLY 4 -5.469 11.824 -3.348 16 HA3 GLY 4 2HA GLY 4 -6.811 10.693 -3.418 17 H SER 5 H SER 5 -6.530 9.844 -1.383 18 HA SER 5 HA SER 5 -3.942 8.683 -0.695 19 HB2 SER 5 1HB SER 5 -4.918 9.901 1.102 20 HB3 SER 5 2HB SER 5 -6.486 9.126 0.872 21 HG SER 5 HG SER 5 -4.160 7.673 1.568 22 H SER 6 H SER 6 -3.547 6.531 -0.512 23 HA SER 6 HA SER 6 -5.489 4.509 -0.335 24 HB2 SER 6 1HB SER 6 -5.142 3.546 -2.664 25 HB3 SER 6 2HB SER 6 -6.150 4.991 -2.572 26 HG SER 6 HG SER 6 -4.448 6.207 -3.323 27 H GLY 7 H GLY 7 -3.226 4.898 1.062 28 HA2 GLY 7 1HA GLY 7 -1.276 2.978 -0.038 29 HA3 GLY 7 2HA GLY 7 -0.913 4.195 1.177 30 H LEU 8 H LEU 8 -0.195 1.550 1.531 31 HA LEU 8 HA LEU 8 -1.775 0.896 3.896 32 HB2 LEU 8 1HB LEU 8 -1.348 -0.884 1.535 33 HB3 LEU 8 2HB LEU 8 -1.486 -1.583 3.147 34 HG LEU 8 HG LEU 8 -3.595 0.198 1.944 35 HD11 LEU 8 1HD1 LEU 8 -2.937 -2.555 1.328 36 HD12 LEU 8 2HD1 LEU 8 -4.081 -1.463 0.549 37 HD13 LEU 8 3HD1 LEU 8 -4.572 -2.388 1.968 38 HD21 LEU 8 1HD2 LEU 8 -3.200 -0.630 4.529 39 HD22 LEU 8 2HD2 LEU 8 -4.327 -1.833 3.905 40 HD23 LEU 8 3HD2 LEU 8 -4.740 -0.119 3.836 41 H ILE 9 H ILE 9 -0.614 -0.056 5.536 42 HA ILE 9 HA ILE 9 2.287 -0.244 5.080 43 HB ILE 9 HB ILE 9 0.918 0.104 7.743 44 HG12 ILE 9 1HG1 ILE 9 0.362 2.046 6.436 45 HG13 ILE 9 2HG1 ILE 9 1.646 2.496 7.554 46 HG21 ILE 9 1HG2 ILE 9 3.050 -0.694 8.162 47 HG22 ILE 9 2HG2 ILE 9 3.750 0.162 6.790 48 HG23 ILE 9 3HG2 ILE 9 3.276 1.054 8.235 49 HD11 ILE 9 1HD1 ILE 9 2.104 1.752 4.678 50 HD12 ILE 9 2HD1 ILE 9 1.912 3.405 5.263 51 HD13 ILE 9 3HD1 ILE 9 3.273 2.427 5.811 52 H ALA 10 H ALA 10 2.628 -2.349 4.569 53 HA ALA 10 HA ALA 10 1.388 -4.443 6.180 54 HB1 ALA 10 1HB ALA 10 1.605 -5.777 4.398 55 HB2 ALA 10 2HB ALA 10 1.947 -4.293 3.509 56 HB3 ALA 10 3HB ALA 10 3.275 -5.284 4.113 57 H CYS 11 H CYS 11 2.408 -5.488 7.765 58 HA CYS 11 HA CYS 11 5.288 -5.000 8.109 59 HB2 CYS 11 1HB CYS 11 3.642 -4.257 9.908 60 HB3 CYS 11 2HB CYS 11 3.378 -5.965 10.235 61 HG CYS 11 HG CYS 11 5.107 -5.646 12.165 62 H VAL 12 H VAL 12 6.543 -6.628 7.512 63 HA VAL 12 HA VAL 12 5.510 -9.375 7.744 64 HB VAL 12 HB VAL 12 7.971 -8.904 6.180 65 HG11 VAL 12 1HG1 VAL 12 6.579 -11.063 6.507 66 HG12 VAL 12 2HG1 VAL 12 5.512 -10.358 5.290 67 HG13 VAL 12 3HG1 VAL 12 7.203 -10.679 4.903 68 HG21 VAL 12 1HG2 VAL 12 6.709 -6.943 5.524 69 HG22 VAL 12 2HG2 VAL 12 6.714 -8.118 4.208 70 HG23 VAL 12 3HG2 VAL 12 5.281 -7.932 5.220 71 H ALA 13 H ALA 13 6.557 -10.859 8.953 72 HA ALA 13 HA ALA 13 8.698 -9.912 10.672 73 HB1 ALA 13 1HB ALA 13 8.001 -12.672 11.089 74 HB2 ALA 13 2HB ALA 13 7.821 -11.293 12.174 75 HB3 ALA 13 3HB ALA 13 6.552 -11.668 11.008 76 H ASN 14 H ASN 14 8.306 -11.829 7.853 77 HA ASN 14 HA ASN 14 10.684 -13.401 8.166 78 HB2 ASN 14 1HB ASN 14 9.240 -12.823 5.578 79 HB3 ASN 14 2HB ASN 14 10.248 -14.214 5.965 80 HD21 ASN 14 2HD2 ASN 14 8.398 -15.439 5.225 81 HD22 ASN 14 1HD2 ASN 14 7.103 -15.760 6.322 82 H ASP 15 H ASP 15 12.532 -12.264 8.361 83 HA ASP 15 HA ASP 15 13.117 -9.824 7.113 84 HB2 ASP 15 1HB ASP 15 15.133 -11.900 7.982 85 HB3 ASP 15 2HB ASP 15 15.389 -10.164 7.832 86 H ASP 16 H ASP 16 12.960 -12.951 5.825 87 HA ASP 16 HA ASP 16 14.938 -12.704 3.786 88 HB2 ASP 16 1HB ASP 16 12.509 -14.505 3.917 89 HB3 ASP 16 2HB ASP 16 13.856 -14.681 2.796 90 H VAL 17 H VAL 17 11.536 -11.897 4.041 91 HA VAL 17 HA VAL 17 10.947 -11.516 1.333 92 HB VAL 17 HB VAL 17 9.820 -10.262 3.825 93 HG11 VAL 17 1HG1 VAL 17 7.997 -9.373 2.392 94 HG12 VAL 17 2HG1 VAL 17 9.557 -8.594 2.112 95 HG13 VAL 17 3HG1 VAL 17 8.954 -9.801 0.974 96 HG21 VAL 17 1HG2 VAL 17 8.700 -12.240 1.842 97 HG22 VAL 17 2HG2 VAL 17 9.336 -12.626 3.441 98 HG23 VAL 17 3HG2 VAL 17 7.878 -11.646 3.284 99 H PHE 18 H PHE 18 12.988 -9.747 3.405 100 HA PHE 18 HA PHE 18 12.824 -7.312 1.803 101 HB2 PHE 18 1HB PHE 18 14.446 -7.942 4.278 102 HB3 PHE 18 2HB PHE 18 14.389 -6.375 3.477 103 HD1 PHE 18 1HD PHE 18 12.404 -8.845 5.366 104 HD2 PHE 18 2HD PHE 18 12.607 -4.871 3.854 105 HE1 PHE 18 1HE PHE 18 10.446 -8.231 6.724 106 HE2 PHE 18 2HE PHE 18 10.650 -4.251 5.210 107 HZ PHE 18 HZ PHE 18 9.567 -5.931 6.648 108 H SER 19 H SER 19 13.944 -9.921 0.839 109 HA SER 19 HA SER 19 16.670 -9.004 0.198 110 HB2 SER 19 1HB SER 19 17.368 -11.264 0.005 111 HB3 SER 19 2HB SER 19 16.397 -11.199 1.476 112 HG SER 19 HG SER 19 14.634 -11.998 0.228 113 H GLU 20 H GLU 20 17.445 -9.379 -1.951 114 HA GLU 20 HA GLU 20 15.383 -8.963 -3.937 115 HB2 GLU 20 1HB GLU 20 17.271 -8.595 -5.484 116 HB3 GLU 20 2HB GLU 20 17.384 -7.594 -4.043 117 HG2 GLU 20 1HG GLU 20 18.769 -9.993 -3.504 118 HG3 GLU 20 2HG GLU 20 19.274 -9.437 -5.099 119 H SER 21 H SER 21 16.922 -11.621 -2.617 120 HA SER 21 HA SER 21 17.554 -13.345 -4.624 121 HB2 SER 21 1HB SER 21 16.686 -13.597 -1.880 122 HB3 SER 21 2HB SER 21 16.030 -14.911 -2.855 123 HG SER 21 HG SER 21 17.938 -15.758 -2.760 124 H GLU 22 H GLU 22 14.305 -13.386 -3.154 125 HA GLU 22 HA GLU 22 12.869 -13.148 -5.546 126 HB2 GLU 22 1HB GLU 22 14.061 -15.445 -5.790 127 HB3 GLU 22 2HB GLU 22 12.866 -16.006 -4.628 128 HG2 GLU 22 1HG GLU 22 11.445 -16.317 -6.287 129 HG3 GLU 22 2HG GLU 22 11.451 -14.582 -6.592 130 H THR 23 H THR 23 12.965 -14.711 -2.377 131 HA THR 23 HA THR 23 10.418 -15.140 -1.691 132 HB THR 23 HB THR 23 12.340 -13.575 0.042 133 HG1 THR 23 1HG THR 23 13.378 -15.436 -0.294 134 HG21 THR 23 1HG2 THR 23 10.793 -13.633 1.643 135 HG22 THR 23 2HG2 THR 23 10.640 -15.381 1.469 136 HG23 THR 23 3HG2 THR 23 9.648 -14.305 0.484 137 H ARG 24 H ARG 24 11.890 -11.932 -1.941 138 HA ARG 24 HA ARG 24 9.845 -10.373 -0.925 139 HB2 ARG 24 1HB ARG 24 12.027 -9.467 -1.559 140 HB3 ARG 24 2HB ARG 24 11.669 -9.758 -3.257 141 HG2 ARG 24 1HG ARG 24 9.610 -8.223 -2.784 142 HG3 ARG 24 2HG ARG 24 10.589 -7.676 -1.421 143 HD2 ARG 24 1HD ARG 24 11.732 -7.806 -4.187 144 HD3 ARG 24 2HD ARG 24 10.770 -6.421 -3.671 145 HE ARG 24 HE ARG 24 12.811 -6.988 -1.789 146 HH11 ARG 24 2HH1 ARG 24 12.274 -5.598 -4.935 147 HH12 ARG 24 1HH1 ARG 24 13.643 -4.541 -4.846 148 HH21 ARG 24 2HH2 ARG 24 14.617 -5.600 -1.659 149 HH22 ARG 24 1HH2 ARG 24 14.976 -4.543 -2.982 150 H ALA 25 H ALA 25 10.276 -11.529 -4.259 151 HA ALA 25 HA ALA 25 8.132 -10.298 -5.477 152 HB1 ALA 25 1HB ALA 25 9.988 -12.041 -6.310 153 HB2 ALA 25 2HB ALA 25 8.592 -13.115 -6.237 154 HB3 ALA 25 3HB ALA 25 8.536 -11.661 -7.235 155 H LYS 26 H LYS 26 8.158 -13.378 -3.707 156 HA LYS 26 HA LYS 26 5.572 -14.216 -4.119 157 HB2 LYS 26 1HB LYS 26 7.265 -14.412 -1.627 158 HB3 LYS 26 2HB LYS 26 5.744 -15.270 -1.838 159 HG2 LYS 26 1HG LYS 26 6.612 -16.620 -3.543 160 HG3 LYS 26 2HG LYS 26 8.008 -15.567 -3.782 161 HD2 LYS 26 1HD LYS 26 8.546 -16.174 -1.307 162 HD3 LYS 26 2HD LYS 26 7.471 -17.542 -1.599 163 HE2 LYS 26 1HE LYS 26 8.884 -18.495 -3.144 164 HE3 LYS 26 2HE LYS 26 9.635 -16.955 -3.564 165 HZ1 LYS 26 1HZ LYS 26 11.171 -17.193 -1.981 166 HZ2 LYS 26 2HZ LYS 26 10.730 -18.826 -1.962 167 HZ3 LYS 26 3HZ LYS 26 10.065 -17.758 -0.831 168 H PHE 27 H PHE 27 6.738 -11.707 -1.957 169 HA PHE 27 HA PHE 27 4.192 -11.334 -0.672 170 HB2 PHE 27 1HB PHE 27 6.010 -10.752 0.691 171 HB3 PHE 27 2HB PHE 27 6.822 -9.880 -0.604 172 HD1 PHE 27 2HD PHE 27 5.618 -7.752 -1.474 173 HD2 PHE 27 1HD PHE 27 4.814 -9.588 2.282 174 HE1 PHE 27 2HE PHE 27 4.662 -5.640 -0.650 175 HE2 PHE 27 1HE PHE 27 3.855 -7.479 3.110 176 HZ PHE 27 HZ PHE 27 3.780 -5.501 1.645 177 H GLU 28 H GLU 28 6.006 -9.786 -3.266 178 HA GLU 28 HA GLU 28 4.343 -7.538 -3.596 179 HB2 GLU 28 1HB GLU 28 6.470 -8.875 -5.132 180 HB3 GLU 28 2HB GLU 28 5.317 -7.974 -6.107 181 HG2 GLU 28 1HG GLU 28 5.849 -5.948 -5.081 182 HG3 GLU 28 2HG GLU 28 6.634 -6.743 -3.717 183 H SER 29 H SER 29 4.479 -10.529 -5.539 184 HA SER 29 HA SER 29 2.470 -10.215 -7.282 185 HB2 SER 29 1HB SER 29 3.729 -12.303 -7.108 186 HB3 SER 29 2HB SER 29 2.912 -12.691 -5.594 187 HG SER 29 HG SER 29 2.134 -13.379 -7.959 188 H LEU 30 H LEU 30 2.054 -10.878 -3.841 189 HA LEU 30 HA LEU 30 -0.648 -11.385 -3.712 190 HB2 LEU 30 1HB LEU 30 1.076 -9.800 -1.817 191 HB3 LEU 30 2HB LEU 30 -0.560 -10.340 -1.445 192 HG LEU 30 HG LEU 30 1.763 -12.172 -2.044 193 HD11 LEU 30 1HD1 LEU 30 0.790 -12.406 0.614 194 HD12 LEU 30 2HD1 LEU 30 1.166 -10.710 0.308 195 HD13 LEU 30 3HD1 LEU 30 2.401 -11.946 0.064 196 HD21 LEU 30 1HD2 LEU 30 -0.416 -13.116 -2.614 197 HD22 LEU 30 2HD2 LEU 30 -1.012 -12.733 -0.998 198 HD23 LEU 30 3HD2 LEU 30 0.278 -13.919 -1.205 199 H PHE 31 H PHE 31 0.876 -8.175 -3.382 200 HA PHE 31 HA PHE 31 -1.674 -6.856 -3.672 201 HB2 PHE 31 1HB PHE 31 1.039 -5.539 -3.685 202 HB3 PHE 31 2HB PHE 31 -0.508 -4.828 -3.239 203 HD1 PHE 31 1HD PHE 31 2.081 -7.241 -2.194 204 HD2 PHE 31 2HD PHE 31 -1.339 -4.985 -1.040 205 HE1 PHE 31 1HE PHE 31 2.505 -7.810 0.162 206 HE2 PHE 31 2HE PHE 31 -0.920 -5.550 1.317 207 HZ PHE 31 HZ PHE 31 1.004 -6.964 1.922 208 H ARG 32 H ARG 32 1.362 -6.965 -5.529 209 HA ARG 32 HA ARG 32 0.766 -5.364 -7.646 210 HB2 ARG 32 1HB ARG 32 2.765 -7.120 -7.098 211 HB3 ARG 32 2HB ARG 32 1.965 -7.943 -8.430 212 HG2 ARG 32 1HG ARG 32 2.906 -5.087 -8.533 213 HG3 ARG 32 2HG ARG 32 3.842 -6.467 -9.112 214 HD2 ARG 32 1HD ARG 32 1.917 -7.026 -10.615 215 HD3 ARG 32 2HD ARG 32 1.179 -5.498 -10.134 216 HE ARG 32 HE ARG 32 2.636 -4.402 -11.517 217 HH11 ARG 32 2HH1 ARG 32 3.800 -7.637 -10.973 218 HH12 ARG 32 1HH1 ARG 32 5.070 -7.517 -12.144 219 HH21 ARG 32 2HH2 ARG 32 4.303 -4.232 -13.062 220 HH22 ARG 32 1HH2 ARG 32 5.357 -5.579 -13.332 221 H THR 33 H THR 33 -0.252 -8.728 -7.209 222 HA THR 33 HA THR 33 -1.406 -9.280 -9.629 223 HB THR 33 HB THR 33 -2.242 -10.063 -6.847 224 HG1 THR 33 1HG THR 33 -0.766 -11.171 -8.959 225 HG21 THR 33 1HG2 THR 33 -4.316 -10.237 -7.877 226 HG22 THR 33 2HG2 THR 33 -3.628 -11.838 -8.148 227 HG23 THR 33 3HG2 THR 33 -3.616 -10.643 -9.444 228 H TYR 34 H TYR 34 -2.865 -7.500 -6.929 229 HA TYR 34 HA TYR 34 -5.392 -7.125 -8.116 230 HB2 TYR 34 1HB TYR 34 -4.146 -5.181 -6.185 231 HB3 TYR 34 2HB TYR 34 -5.843 -5.615 -6.361 232 HD1 TYR 34 2HD TYR 34 -5.720 -8.553 -6.347 233 HD2 TYR 34 1HD TYR 34 -3.604 -5.716 -3.986 234 HE1 TYR 34 2HE TYR 34 -5.481 -10.227 -4.561 235 HE2 TYR 34 1HE TYR 34 -3.357 -7.383 -2.194 236 HH TYR 34 HH TYR 34 -4.522 -10.705 -2.602 237 H ASP 35 H ASP 35 -2.976 -4.570 -7.550 238 HA ASP 35 HA ASP 35 -3.882 -3.289 -10.039 239 HB2 ASP 35 1HB ASP 35 -3.602 -2.255 -7.455 240 HB3 ASP 35 2HB ASP 35 -2.231 -1.607 -8.352 241 H LYS 36 H LYS 36 -2.382 -2.495 -11.523 242 HA LYS 36 HA LYS 36 0.180 -3.879 -11.479 243 HB2 LYS 36 1HB LYS 36 -1.192 -2.260 -13.632 244 HB3 LYS 36 2HB LYS 36 0.362 -3.058 -13.828 245 HG2 LYS 36 1HG LYS 36 -1.458 -4.990 -12.860 246 HG3 LYS 36 2HG LYS 36 -2.250 -4.122 -14.178 247 HD2 LYS 36 1HD LYS 36 -0.807 -4.911 -15.740 248 HD3 LYS 36 2HD LYS 36 0.564 -4.904 -14.629 249 HE2 LYS 36 1HE LYS 36 -0.732 -6.863 -13.484 250 HE3 LYS 36 2HE LYS 36 -1.534 -6.990 -15.049 251 HZ1 LYS 36 1HZ LYS 36 0.272 -8.424 -15.201 252 HZ2 LYS 36 2HZ LYS 36 1.327 -7.361 -14.416 253 HZ3 LYS 36 3HZ LYS 36 0.816 -7.032 -15.994 254 H ASP 37 H ASP 37 -1.097 -0.770 -10.866 255 HA ASP 37 HA ASP 37 1.531 0.497 -11.171 256 HB2 ASP 37 1HB ASP 37 -1.137 1.391 -11.620 257 HB3 ASP 37 2HB ASP 37 -0.452 2.362 -10.319 258 H THR 38 H THR 38 0.553 -1.357 -8.969 259 HA THR 38 HA THR 38 0.395 0.261 -6.610 260 HB THR 38 HB THR 38 1.084 -2.208 -5.673 261 HG1 THR 38 1HG THR 38 -0.511 -2.770 -7.942 262 HG21 THR 38 1HG2 THR 38 -1.515 -0.923 -6.383 263 HG22 THR 38 2HG2 THR 38 -0.844 -1.302 -4.797 264 HG23 THR 38 3HG2 THR 38 -1.513 -2.587 -5.802 265 H THR 39 H THR 39 2.091 1.393 -5.927 266 HA THR 39 HA THR 39 4.797 0.574 -6.484 267 HB THR 39 HB THR 39 5.357 2.618 -5.047 268 HG1 THR 39 1HG THR 39 3.564 4.044 -4.748 269 HG21 THR 39 1HG2 THR 39 4.815 4.169 -6.838 270 HG22 THR 39 2HG2 THR 39 3.620 3.043 -7.481 271 HG23 THR 39 3HG2 THR 39 5.333 2.626 -7.515 272 H PHE 40 H PHE 40 6.238 -0.344 -5.124 273 HA PHE 40 HA PHE 40 5.282 -1.010 -2.419 274 HB2 PHE 40 1HB PHE 40 7.256 -2.517 -4.148 275 HB3 PHE 40 2HB PHE 40 6.733 -2.991 -2.535 276 HD1 PHE 40 1HD PHE 40 5.453 -2.330 -5.958 277 HD2 PHE 40 2HD PHE 40 4.880 -4.358 -2.261 278 HE1 PHE 40 1HE PHE 40 3.580 -3.584 -6.942 279 HE2 PHE 40 2HE PHE 40 3.006 -5.617 -3.239 280 HZ PHE 40 HZ PHE 40 2.354 -5.232 -5.582 281 H GLN 41 H GLN 41 6.467 -0.422 -0.699 282 HA GLN 41 HA GLN 41 9.194 0.576 -1.156 283 HB2 GLN 41 1HB GLN 41 7.149 2.280 -0.747 284 HB3 GLN 41 2HB GLN 41 7.583 1.939 0.923 285 HG2 GLN 41 1HG GLN 41 8.958 3.690 0.592 286 HG3 GLN 41 2HG GLN 41 10.017 2.430 -0.038 287 HE21 GLN 41 2HE2 GLN 41 7.322 4.425 -1.211 288 HE22 GLN 41 1HE2 GLN 41 8.071 4.859 -2.706 289 H TYR 42 H TYR 42 10.391 -0.930 -0.162 290 HA TYR 42 HA TYR 42 9.505 -2.148 2.315 291 HB2 TYR 42 1HB TYR 42 11.978 -2.550 0.626 292 HB3 TYR 42 2HB TYR 42 11.653 -3.436 2.111 293 HD1 TYR 42 2HD TYR 42 9.732 -2.551 -0.980 294 HD2 TYR 42 1HD TYR 42 10.894 -5.579 1.774 295 HE1 TYR 42 2HE TYR 42 8.434 -4.203 -2.258 296 HE2 TYR 42 1HE TYR 42 9.599 -7.239 0.502 297 HH TYR 42 HH TYR 42 8.292 -6.562 -2.606 298 H PHE 43 H PHE 43 10.213 -1.679 4.312 299 HA PHE 43 HA PHE 43 12.223 0.454 4.561 300 HB2 PHE 43 1HB PHE 43 10.010 -0.357 6.457 301 HB3 PHE 43 2HB PHE 43 11.194 0.906 6.775 302 HD1 PHE 43 2HD PHE 43 11.337 2.774 4.932 303 HD2 PHE 43 1HD PHE 43 7.983 0.229 5.552 304 HE1 PHE 43 2HE PHE 43 9.889 4.416 3.810 305 HE2 PHE 43 1HE PHE 43 6.529 1.866 4.430 306 HZ PHE 43 HZ PHE 43 7.481 3.964 3.557 307 H LYS 44 H LYS 44 14.141 -0.540 4.827 308 HA LYS 44 HA LYS 44 14.421 -2.949 6.374 309 HB2 LYS 44 1HB LYS 44 15.851 -1.886 4.336 310 HB3 LYS 44 2HB LYS 44 16.834 -1.374 5.703 311 HG2 LYS 44 1HG LYS 44 17.746 -3.382 5.811 312 HG3 LYS 44 2HG LYS 44 16.158 -4.104 6.080 313 HD2 LYS 44 1HD LYS 44 15.802 -4.237 3.669 314 HD3 LYS 44 2HD LYS 44 17.371 -3.481 3.386 315 HE2 LYS 44 1HE LYS 44 18.244 -5.466 4.857 316 HE3 LYS 44 2HE LYS 44 16.728 -6.225 4.371 317 HZ1 LYS 44 1HZ LYS 44 18.506 -6.807 2.860 318 HZ2 LYS 44 2HZ LYS 44 18.815 -5.177 2.536 319 HZ3 LYS 44 3HZ LYS 44 17.349 -5.872 2.055 320 H SER 45 H SER 45 13.264 -1.171 8.034 321 HA SER 45 HA SER 45 15.236 -0.934 10.128 322 HB2 SER 45 1HB SER 45 13.861 1.534 9.037 323 HB3 SER 45 2HB SER 45 14.774 1.478 10.545 324 HG SER 45 HG SER 45 15.925 2.206 8.584 325 H PHE 46 H PHE 46 11.945 -0.416 9.001 326 HA PHE 46 HA PHE 46 10.983 -0.904 11.742 327 HB2 PHE 46 1HB PHE 46 9.470 0.461 9.510 328 HB3 PHE 46 2HB PHE 46 8.983 0.331 11.196 329 HD1 PHE 46 1HD PHE 46 10.125 1.646 12.922 330 HD2 PHE 46 2HD PHE 46 11.042 2.102 8.790 331 HE1 PHE 46 1HE PHE 46 11.242 3.783 13.409 332 HE2 PHE 46 2HE PHE 46 12.161 4.240 9.271 333 HZ PHE 46 HZ PHE 46 12.262 5.083 11.583 334 H LYS 47 H LYS 47 11.680 -2.704 9.331 335 HA LYS 47 HA LYS 47 10.809 -4.506 8.209 336 HB2 LYS 47 1HB LYS 47 9.735 -4.751 11.011 337 HB3 LYS 47 2HB LYS 47 9.454 -6.001 9.805 338 HG2 LYS 47 1HG LYS 47 12.226 -5.043 10.403 339 HG3 LYS 47 2HG LYS 47 11.438 -6.255 11.418 340 HD2 LYS 47 1HD LYS 47 11.578 -7.863 9.832 341 HD3 LYS 47 2HD LYS 47 11.306 -6.727 8.508 342 HE2 LYS 47 1HE LYS 47 13.862 -6.491 9.986 343 HE3 LYS 47 2HE LYS 47 13.663 -7.906 8.952 344 HZ1 LYS 47 1HZ LYS 47 13.203 -6.460 7.091 345 HZ2 LYS 47 2HZ LYS 47 14.691 -6.046 7.780 346 HZ3 LYS 47 3HZ LYS 47 13.327 -5.088 8.073 347 H ARG 48 H ARG 48 9.321 -2.138 7.720 348 HA ARG 48 HA ARG 48 6.593 -3.223 7.461 349 HB2 ARG 48 1HB ARG 48 7.604 -0.542 8.176 350 HB3 ARG 48 2HB ARG 48 6.257 -0.563 7.045 351 HG2 ARG 48 1HG ARG 48 4.850 -1.661 8.584 352 HG3 ARG 48 2HG ARG 48 6.203 -2.060 9.646 353 HD2 ARG 48 1HD ARG 48 6.523 0.323 10.120 354 HD3 ARG 48 2HD ARG 48 5.164 0.711 9.067 355 HE ARG 48 HE ARG 48 4.164 -1.052 10.916 356 HH11 ARG 48 2HH1 ARG 48 5.744 2.048 11.013 357 HH12 ARG 48 1HH1 ARG 48 4.947 2.555 12.465 358 HH21 ARG 48 2HH2 ARG 48 3.108 -0.397 12.828 359 HH22 ARG 48 1HH2 ARG 48 3.449 1.163 13.498 360 H VAL 49 H VAL 49 5.409 -2.532 5.524 361 HA VAL 49 HA VAL 49 7.145 -1.875 3.247 362 HB VAL 49 HB VAL 49 5.042 -4.040 3.157 363 HG11 VAL 49 1HG1 VAL 49 5.926 -2.556 1.101 364 HG12 VAL 49 2HG1 VAL 49 7.156 -3.822 1.108 365 HG13 VAL 49 3HG1 VAL 49 5.452 -4.247 0.944 366 HG21 VAL 49 1HG2 VAL 49 6.801 -5.656 3.144 367 HG22 VAL 49 2HG2 VAL 49 8.035 -4.396 3.123 368 HG23 VAL 49 3HG2 VAL 49 7.033 -4.624 4.556 369 H ARG 50 H ARG 50 6.387 0.006 2.528 370 HA ARG 50 HA ARG 50 3.591 0.697 2.777 371 HB2 ARG 50 1HB ARG 50 6.053 2.115 2.495 372 HB3 ARG 50 2HB ARG 50 4.983 2.595 1.184 373 HG2 ARG 50 1HG ARG 50 3.325 2.649 3.373 374 HG3 ARG 50 2HG ARG 50 4.863 3.222 4.021 375 HD2 ARG 50 1HD ARG 50 4.136 4.367 1.422 376 HD3 ARG 50 2HD ARG 50 3.029 4.773 2.733 377 HE ARG 50 HE ARG 50 4.696 6.021 3.730 378 HH11 ARG 50 2HH1 ARG 50 5.988 4.200 1.059 379 HH12 ARG 50 1HH1 ARG 50 7.498 5.048 1.042 380 HH21 ARG 50 2HH2 ARG 50 6.681 7.145 3.719 381 HH22 ARG 50 1HH2 ARG 50 7.892 6.722 2.556 382 H ILE 51 H ILE 51 2.186 -0.092 1.355 383 HA ILE 51 HA ILE 51 3.025 -0.366 -1.454 384 HB ILE 51 HB ILE 51 0.736 -1.735 -0.035 385 HG12 ILE 51 1HG1 ILE 51 2.720 -3.521 -1.070 386 HG13 ILE 51 2HG1 ILE 51 3.517 -2.317 -0.063 387 HG21 ILE 51 1HG2 ILE 51 0.190 -1.437 -2.342 388 HG22 ILE 51 2HG2 ILE 51 1.791 -1.974 -2.846 389 HG23 ILE 51 3HG2 ILE 51 0.669 -3.119 -2.113 390 HD11 ILE 51 1HD1 ILE 51 2.113 -4.618 0.744 391 HD12 ILE 51 2HD1 ILE 51 2.859 -3.380 1.756 392 HD13 ILE 51 3HD1 ILE 51 1.171 -3.223 1.270 393 H ASN 52 H ASN 52 2.497 1.499 -2.446 394 HA ASN 52 HA ASN 52 -0.016 2.829 -1.849 395 HB2 ASN 52 1HB ASN 52 2.518 3.676 -2.755 396 HB3 ASN 52 2HB ASN 52 1.398 3.982 -4.080 397 HD21 ASN 52 2HD2 ASN 52 2.509 4.983 -1.034 398 HD22 ASN 52 1HD2 ASN 52 1.405 6.292 -0.797 399 H PHE 53 H PHE 53 -1.816 2.665 -3.022 400 HA PHE 53 HA PHE 53 -1.691 1.125 -5.522 401 HB2 PHE 53 1HB PHE 53 -4.087 1.692 -3.764 402 HB3 PHE 53 2HB PHE 53 -4.053 0.631 -5.168 403 HD1 PHE 53 2HD PHE 53 -2.383 1.097 -1.871 404 HD2 PHE 53 1HD PHE 53 -3.728 -1.625 -4.854 405 HE1 PHE 53 2HE PHE 53 -1.764 -0.791 -0.420 406 HE2 PHE 53 1HE PHE 53 -3.112 -3.518 -3.408 407 HZ PHE 53 HZ PHE 53 -2.127 -3.103 -1.189 408 H SER 54 H SER 54 -3.634 1.733 -7.027 409 HA SER 54 HA SER 54 -3.335 4.583 -7.588 410 HB2 SER 54 1HB SER 54 -3.833 4.103 -9.808 411 HB3 SER 54 2HB SER 54 -3.038 2.614 -9.296 412 HG SER 54 HG SER 54 -4.835 1.829 -10.144 413 H ASN 55 H ASN 55 -5.529 2.500 -6.125 414 HA ASN 55 HA ASN 55 -7.528 4.591 -6.000 415 HB2 ASN 55 1HB ASN 55 -9.370 3.016 -6.649 416 HB3 ASN 55 2HB ASN 55 -8.299 3.458 -7.976 417 HD21 ASN 55 2HD2 ASN 55 -7.905 1.820 -9.256 418 HD22 ASN 55 1HD2 ASN 55 -7.701 0.172 -8.778 419 HA PRO 56 HA PRO 56 -8.047 3.037 -1.926 420 HB2 PRO 56 1HB PRO 56 -10.612 3.771 -1.424 421 HB3 PRO 56 2HB PRO 56 -9.279 4.930 -1.497 422 HG2 PRO 56 1HG PRO 56 -11.306 4.242 -3.589 423 HG3 PRO 56 2HG PRO 56 -10.689 5.833 -3.110 424 HD2 PRO 56 1HD PRO 56 -9.806 4.531 -5.313 425 HD3 PRO 56 2HD PRO 56 -8.763 5.599 -4.354 426 H LEU 57 H LEU 57 -10.126 1.979 -4.488 427 HA LEU 57 HA LEU 57 -11.726 0.127 -3.131 428 HB2 LEU 57 1HB LEU 57 -10.676 0.089 -5.955 429 HB3 LEU 57 2HB LEU 57 -11.917 -1.003 -5.342 430 HG LEU 57 HG LEU 57 -12.395 1.923 -5.105 431 HD11 LEU 57 1HD1 LEU 57 -11.935 2.201 -7.290 432 HD12 LEU 57 2HD1 LEU 57 -13.512 1.443 -7.507 433 HD13 LEU 57 3HD1 LEU 57 -12.043 0.476 -7.645 434 HD21 LEU 57 1HD2 LEU 57 -14.691 0.923 -5.900 435 HD22 LEU 57 2HD2 LEU 57 -14.159 0.754 -4.228 436 HD23 LEU 57 3HD2 LEU 57 -13.971 -0.592 -5.354 437 H SER 58 H SER 58 -8.991 -0.751 -5.239 438 HA SER 58 HA SER 58 -8.661 -3.341 -4.403 439 HB2 SER 58 1HB SER 58 -7.190 -1.497 -5.969 440 HB3 SER 58 2HB SER 58 -6.054 -2.205 -4.820 441 HG SER 58 HG SER 58 -6.397 -3.371 -6.865 442 H ALA 59 H ALA 59 -7.258 -0.423 -2.966 443 HA ALA 59 HA ALA 59 -5.504 -1.349 -1.144 444 HB1 ALA 59 1HB ALA 59 -5.977 0.529 0.229 445 HB2 ALA 59 2HB ALA 59 -6.271 1.026 -1.438 446 HB3 ALA 59 3HB ALA 59 -7.629 0.641 -0.380 447 H ALA 60 H ALA 60 -9.016 -1.588 -0.900 448 HA ALA 60 HA ALA 60 -8.992 -2.719 1.732 449 HB1 ALA 60 1HB ALA 60 -11.081 -1.975 1.554 450 HB2 ALA 60 2HB ALA 60 -10.981 -1.892 -0.205 451 HB3 ALA 60 3HB ALA 60 -11.415 -3.408 0.583 452 H ASP 61 H ASP 61 -10.008 -4.125 -1.390 453 HA ASP 61 HA ASP 61 -10.288 -6.729 -0.735 454 HB2 ASP 61 1HB ASP 61 -9.728 -5.281 -3.146 455 HB3 ASP 61 2HB ASP 61 -8.799 -6.777 -3.145 456 H ALA 62 H ALA 62 -7.199 -5.121 -1.399 457 HA ALA 62 HA ALA 62 -5.506 -7.312 -1.258 458 HB1 ALA 62 1HB ALA 62 -4.453 -5.394 -1.970 459 HB2 ALA 62 2HB ALA 62 -5.156 -4.403 -0.691 460 HB3 ALA 62 3HB ALA 62 -3.849 -5.527 -0.318 461 H ARG 63 H ARG 63 -6.476 -5.130 1.390 462 HA ARG 63 HA ARG 63 -5.093 -6.331 3.459 463 HB2 ARG 63 1HB ARG 63 -6.375 -4.194 3.601 464 HB3 ARG 63 2HB ARG 63 -7.860 -5.134 3.652 465 HG2 ARG 63 1HG ARG 63 -7.217 -6.132 5.743 466 HG3 ARG 63 2HG ARG 63 -5.638 -5.348 5.671 467 HD2 ARG 63 1HD ARG 63 -6.475 -3.564 6.693 468 HD3 ARG 63 2HD ARG 63 -7.624 -3.344 5.374 469 HE ARG 63 HE ARG 63 -9.268 -4.307 6.672 470 HH11 ARG 63 2HH1 ARG 63 -6.161 -4.708 8.189 471 HH12 ARG 63 1HH1 ARG 63 -6.821 -5.255 9.694 472 HH21 ARG 63 2HH2 ARG 63 -10.149 -5.027 8.649 473 HH22 ARG 63 1HH2 ARG 63 -9.089 -5.437 9.955 474 H LEU 64 H LEU 64 -8.472 -6.975 2.511 475 HA LEU 64 HA LEU 64 -8.940 -9.068 4.288 476 HB2 LEU 64 1HB LEU 64 -10.948 -9.113 3.329 477 HB3 LEU 64 2HB LEU 64 -10.377 -7.763 2.353 478 HG LEU 64 HG LEU 64 -9.610 -9.517 0.669 479 HD11 LEU 64 1HD1 LEU 64 -10.410 -11.250 2.709 480 HD12 LEU 64 2HD1 LEU 64 -9.923 -11.675 1.068 481 HD13 LEU 64 3HD1 LEU 64 -11.627 -11.412 1.442 482 HD21 LEU 64 1HD2 LEU 64 -12.485 -8.922 1.296 483 HD22 LEU 64 2HD2 LEU 64 -12.018 -9.852 -0.128 484 HD23 LEU 64 3HD2 LEU 64 -11.446 -8.194 0.070 485 H ARG 65 H ARG 65 -7.432 -9.058 1.116 486 HA ARG 65 HA ARG 65 -7.290 -11.933 0.963 487 HB2 ARG 65 1HB ARG 65 -6.371 -9.656 -0.739 488 HB3 ARG 65 2HB ARG 65 -5.638 -11.237 -0.975 489 HG2 ARG 65 1HG ARG 65 -8.373 -11.733 -0.892 490 HG3 ARG 65 2HG ARG 65 -8.205 -10.250 -1.836 491 HD2 ARG 65 1HD ARG 65 -6.194 -11.771 -2.855 492 HD3 ARG 65 2HD ARG 65 -7.397 -13.001 -2.468 493 HE ARG 65 HE ARG 65 -8.683 -10.923 -3.819 494 HH11 ARG 65 2HH1 ARG 65 -6.291 -13.380 -4.419 495 HH12 ARG 65 1HH1 ARG 65 -6.670 -13.522 -6.103 496 HH21 ARG 65 2HH2 ARG 65 -9.191 -11.101 -6.035 497 HH22 ARG 65 1HH2 ARG 65 -8.319 -12.225 -7.021 498 H LEU 66 H LEU 66 -5.692 -9.736 2.792 499 HA LEU 66 HA LEU 66 -3.395 -11.523 3.096 500 HB2 LEU 66 1HB LEU 66 -3.046 -8.540 3.076 501 HB3 LEU 66 2HB LEU 66 -1.798 -9.786 3.059 502 HG LEU 66 HG LEU 66 -3.695 -9.497 0.756 503 HD11 LEU 66 1HD1 LEU 66 -1.062 -8.131 0.663 504 HD12 LEU 66 2HD1 LEU 66 -2.386 -7.320 1.500 505 HD13 LEU 66 3HD1 LEU 66 -2.559 -7.770 -0.196 506 HD21 LEU 66 1HD2 LEU 66 -1.939 -11.408 1.238 507 HD22 LEU 66 2HD2 LEU 66 -0.819 -10.229 0.556 508 HD23 LEU 66 3HD2 LEU 66 -2.199 -10.786 -0.391 509 H HIS 67 H HIS 67 -2.169 -9.469 4.888 510 HA HIS 67 HA HIS 67 -2.346 -8.642 7.031 511 HB2 HIS 67 1HB HIS 67 -4.901 -8.475 6.366 512 HB3 HIS 67 2HB HIS 67 -5.045 -9.854 7.450 513 HD1 HIS 67 1HD HIS 67 -2.420 -7.805 8.737 514 HD2 HIS 67 2HD HIS 67 -6.571 -7.663 8.838 515 HE1 HIS 67 1HE HIS 67 -2.994 -6.282 10.654 516 H LYS 68 H LYS 68 -3.993 -10.207 9.034 517 HA LYS 68 HA LYS 68 -2.168 -11.737 10.249 518 HB2 LYS 68 1HB LYS 68 -5.077 -12.502 9.933 519 HB3 LYS 68 2HB LYS 68 -3.991 -13.123 11.171 520 HG2 LYS 68 1HG LYS 68 -4.588 -11.443 12.477 521 HG3 LYS 68 2HG LYS 68 -3.846 -10.324 11.331 522 HD2 LYS 68 1HD LYS 68 -5.983 -9.497 11.382 523 HD3 LYS 68 2HD LYS 68 -6.125 -10.649 10.052 524 HE2 LYS 68 1HE LYS 68 -7.944 -11.290 11.254 525 HE3 LYS 68 2HE LYS 68 -6.733 -12.285 12.061 526 HZ1 LYS 68 1HZ LYS 68 -7.213 -11.270 13.950 527 HZ2 LYS 68 2HZ LYS 68 -8.371 -10.311 13.175 528 HZ3 LYS 68 3HZ LYS 68 -6.771 -9.774 13.295 529 H THR 69 H THR 69 -3.861 -12.596 7.326 530 HA THR 69 HA THR 69 -3.741 -15.226 6.995 531 HB THR 69 HB THR 69 -2.871 -14.875 4.642 532 HG1 THR 69 1HG THR 69 -2.152 -12.937 4.073 533 HG21 THR 69 1HG2 THR 69 -5.311 -14.442 5.661 534 HG22 THR 69 2HG2 THR 69 -4.931 -14.197 3.956 535 HG23 THR 69 3HG2 THR 69 -4.965 -12.820 5.059 536 H GLU 70 H GLU 70 -2.342 -16.824 7.305 537 HA GLU 70 HA GLU 70 0.294 -16.406 8.182 538 HB2 GLU 70 1HB GLU 70 -1.421 -18.708 7.576 539 HB3 GLU 70 2HB GLU 70 0.291 -19.011 7.314 540 HG2 GLU 70 1HG GLU 70 0.806 -18.437 9.579 541 HG3 GLU 70 2HG GLU 70 -0.851 -17.907 9.868 542 H PHE 71 H PHE 71 1.446 -15.173 6.713 543 HA PHE 71 HA PHE 71 1.669 -15.908 3.953 544 HB2 PHE 71 1HB PHE 71 1.902 -13.589 4.481 545 HB3 PHE 71 2HB PHE 71 3.156 -13.922 5.671 546 HD1 PHE 71 2HD PHE 71 2.399 -13.924 2.056 547 HD2 PHE 71 1HD PHE 71 5.419 -14.056 5.051 548 HE1 PHE 71 2HE PHE 71 4.119 -13.580 0.331 549 HE2 PHE 71 1HE PHE 71 7.145 -13.711 3.332 550 HZ PHE 71 HZ PHE 71 6.496 -13.474 0.968 551 H LEU 72 H LEU 72 2.586 -17.843 3.561 552 HA LEU 72 HA LEU 72 4.170 -19.465 3.384 553 HB2 LEU 72 1HB LEU 72 5.795 -17.031 3.960 554 HB3 LEU 72 2HB LEU 72 6.582 -18.608 3.941 555 HG LEU 72 HG LEU 72 5.380 -18.766 1.582 556 HD11 LEU 72 1HD1 LEU 72 5.291 -15.904 2.306 557 HD12 LEU 72 2HD1 LEU 72 4.264 -16.836 1.217 558 HD13 LEU 72 3HD1 LEU 72 5.851 -16.290 0.678 559 HD21 LEU 72 1HD2 LEU 72 7.729 -19.025 1.821 560 HD22 LEU 72 2HD2 LEU 72 7.943 -17.325 2.236 561 HD23 LEU 72 3HD2 LEU 72 7.473 -17.780 0.598 562 H GLY 73 H GLY 73 2.838 -18.807 6.013 563 HA2 GLY 73 1HA GLY 73 2.917 -20.390 7.835 564 HA3 GLY 73 2HA GLY 73 4.667 -20.412 7.676 565 H LYS 74 H LYS 74 4.529 -17.385 7.341 566 HA LYS 74 HA LYS 74 4.461 -16.802 10.219 567 HB2 LYS 74 1HB LYS 74 5.783 -15.253 7.983 568 HB3 LYS 74 2HB LYS 74 5.905 -14.895 9.701 569 HG2 LYS 74 1HG LYS 74 6.773 -17.546 8.621 570 HG3 LYS 74 2HG LYS 74 7.838 -16.140 8.558 571 HD2 LYS 74 1HD LYS 74 7.897 -15.951 10.905 572 HD3 LYS 74 2HD LYS 74 6.513 -17.027 11.107 573 HE2 LYS 74 1HE LYS 74 7.913 -18.734 11.341 574 HE3 LYS 74 2HE LYS 74 8.469 -18.476 9.688 575 HZ1 LYS 74 1HZ LYS 74 10.432 -18.138 10.682 576 HZ2 LYS 74 2HZ LYS 74 9.749 -17.803 12.193 577 HZ3 LYS 74 3HZ LYS 74 9.831 -16.591 11.015 578 H GLU 75 H GLU 75 2.847 -15.631 11.005 579 HA GLU 75 HA GLU 75 0.804 -14.557 9.377 580 HB2 GLU 75 1HB GLU 75 -0.006 -15.099 11.456 581 HB3 GLU 75 2HB GLU 75 1.441 -14.545 12.283 582 HG2 GLU 75 1HG GLU 75 0.753 -12.215 11.857 583 HG3 GLU 75 2HG GLU 75 -0.736 -12.819 11.130 584 H MET 76 H MET 76 0.736 -12.706 8.301 585 HA MET 76 HA MET 76 2.683 -10.615 8.969 586 HB2 MET 76 1HB MET 76 2.983 -10.991 6.728 587 HB3 MET 76 2HB MET 76 1.308 -11.465 6.472 588 HG2 MET 76 1HG MET 76 0.584 -9.210 6.442 589 HG3 MET 76 2HG MET 76 2.146 -8.633 7.015 590 HE1 MET 76 1HE MET 76 0.559 -9.503 3.008 591 HE2 MET 76 2HE MET 76 1.366 -11.010 3.437 592 HE3 MET 76 3HE MET 76 0.134 -10.335 4.504 593 H LYS 77 H LYS 77 2.026 -8.394 8.990 594 HA LYS 77 HA LYS 77 -0.807 -8.045 9.730 595 HB2 LYS 77 1HB LYS 77 1.692 -7.161 10.994 596 HB3 LYS 77 2HB LYS 77 0.487 -5.889 10.829 597 HG2 LYS 77 1HG LYS 77 -1.056 -7.860 11.807 598 HG3 LYS 77 2HG LYS 77 0.493 -8.286 12.539 599 HD2 LYS 77 1HD LYS 77 -0.456 -5.456 12.646 600 HD3 LYS 77 2HD LYS 77 -1.139 -6.645 13.757 601 HE2 LYS 77 1HE LYS 77 0.669 -5.675 14.911 602 HE3 LYS 77 2HE LYS 77 1.253 -7.243 14.356 603 HZ1 LYS 77 1HZ LYS 77 2.323 -6.123 12.486 604 HZ2 LYS 77 2HZ LYS 77 2.899 -5.541 13.965 605 HZ3 LYS 77 3HZ LYS 77 1.798 -4.624 13.067 606 H LEU 78 H LEU 78 -1.695 -5.871 9.327 607 HA LEU 78 HA LEU 78 -0.361 -4.256 7.325 608 HB2 LEU 78 1HB LEU 78 -2.730 -5.970 6.755 609 HB3 LEU 78 2HB LEU 78 -2.623 -4.389 5.984 610 HG LEU 78 HG LEU 78 -0.175 -5.933 5.694 611 HD11 LEU 78 1HD1 LEU 78 -1.671 -7.242 3.817 612 HD12 LEU 78 2HD1 LEU 78 -2.728 -7.269 5.227 613 HD13 LEU 78 3HD1 LEU 78 -1.099 -7.936 5.334 614 HD21 LEU 78 1HD2 LEU 78 -0.085 -4.782 3.782 615 HD22 LEU 78 2HD2 LEU 78 -1.465 -3.880 4.411 616 HD23 LEU 78 3HD2 LEU 78 -1.723 -5.244 3.321 617 H TYR 79 H TYR 79 -0.970 -2.155 7.409 618 HA TYR 79 HA TYR 79 -3.316 -1.486 9.059 619 HB2 TYR 79 1HB TYR 79 -0.536 -0.345 9.149 620 HB3 TYR 79 2HB TYR 79 -1.919 0.594 9.703 621 HD1 TYR 79 1HD TYR 79 0.132 -2.397 10.335 622 HD2 TYR 79 2HD TYR 79 -3.028 0.066 11.768 623 HE1 TYR 79 1HE TYR 79 0.267 -3.507 12.525 624 HE2 TYR 79 2HE TYR 79 -2.901 -1.038 13.962 625 HH TYR 79 HH TYR 79 -1.507 -2.344 15.288 626 H PHE 80 H PHE 80 -4.465 0.374 8.488 627 HA PHE 80 HA PHE 80 -4.422 0.995 5.696 628 HB2 PHE 80 1HB PHE 80 -6.228 1.355 7.917 629 HB3 PHE 80 2HB PHE 80 -6.076 2.855 7.007 630 HD1 PHE 80 2HD PHE 80 -5.717 1.869 4.272 631 HD2 PHE 80 1HD PHE 80 -8.309 0.512 7.365 632 HE1 PHE 80 2HE PHE 80 -7.276 0.997 2.580 633 HE2 PHE 80 1HE PHE 80 -9.871 -0.363 5.677 634 HZ PHE 80 HZ PHE 80 -9.356 -0.120 3.281 635 H ALA 81 H ALA 81 -2.817 2.221 4.930 636 HA ALA 81 HA ALA 81 -1.490 4.233 6.441 637 HB1 ALA 81 1HB ALA 81 -0.044 4.377 4.701 638 HB2 ALA 81 2HB ALA 81 -0.776 2.824 4.294 639 HB3 ALA 81 3HB ALA 81 -1.321 4.294 3.487 640 H GLN 82 H GLN 82 -2.876 5.813 7.144 641 HA GLN 82 HA GLN 82 -4.281 7.357 5.067 642 HB2 GLN 82 1HB GLN 82 -5.244 6.259 7.472 643 HB3 GLN 82 2HB GLN 82 -5.143 7.994 7.743 644 HG2 GLN 82 1HG GLN 82 -6.462 6.872 5.300 645 HG3 GLN 82 2HG GLN 82 -7.327 7.032 6.827 646 HE21 GLN 82 2HE2 GLN 82 -7.542 8.378 4.142 647 HE22 GLN 82 1HE2 GLN 82 -7.542 10.066 4.510 648 H THR 83 H THR 83 -2.702 7.770 8.237 649 HA THR 83 HA THR 83 -1.717 10.383 7.289 650 HB THR 83 HB THR 83 -1.693 11.073 9.711 651 HG1 THR 83 1HG THR 83 -2.055 8.664 10.276 652 HG21 THR 83 1HG2 THR 83 -4.256 10.466 8.264 653 HG22 THR 83 2HG2 THR 83 -3.422 12.010 8.435 654 HG23 THR 83 3HG2 THR 83 -4.251 11.297 9.819 655 H LEU 84 H LEU 84 0.250 11.119 8.573 656 HA LEU 84 HA LEU 84 1.933 8.960 9.547 657 HB2 LEU 84 1HB LEU 84 3.800 9.772 8.021 658 HB3 LEU 84 2HB LEU 84 2.539 8.772 7.305 659 HG LEU 84 HG LEU 84 2.022 11.641 7.081 660 HD11 LEU 84 1HD1 LEU 84 4.492 11.624 6.923 661 HD12 LEU 84 2HD1 LEU 84 3.700 12.107 5.424 662 HD13 LEU 84 3HD1 LEU 84 4.368 10.483 5.584 663 HD21 LEU 84 1HD2 LEU 84 1.228 11.050 4.980 664 HD22 LEU 84 2HD2 LEU 84 0.901 9.612 5.947 665 HD23 LEU 84 3HD2 LEU 84 2.291 9.648 4.861 666 H HIS 85 H HIS 85 0.680 11.737 10.213 667 HA HIS 85 HA HIS 85 2.436 12.506 12.194 668 HB2 HIS 85 1HB HIS 85 3.499 13.217 9.713 669 HB3 HIS 85 2HB HIS 85 2.813 14.712 10.343 670 HD1 HIS 85 1HD HIS 85 4.873 15.927 11.070 671 HD2 HIS 85 2HD HIS 85 4.744 12.030 12.502 672 HE1 HIS 85 1HE HIS 85 6.808 15.732 12.664 673 H ILE 86 H ILE 86 -0.301 12.288 11.913 674 HA ILE 86 HA ILE 86 -1.129 15.018 12.568 675 HB ILE 86 HB ILE 86 -2.671 13.220 10.695 676 HG12 ILE 86 1HG1 ILE 86 -2.336 15.474 9.304 677 HG13 ILE 86 2HG1 ILE 86 -0.897 15.581 10.311 678 HG21 ILE 86 1HG2 ILE 86 -3.557 15.982 11.025 679 HG22 ILE 86 2HG2 ILE 86 -4.490 14.487 10.994 680 HG23 ILE 86 3HG2 ILE 86 -3.710 15.008 12.487 681 HD11 ILE 86 1HD1 ILE 86 0.131 13.897 9.241 682 HD12 ILE 86 2HD1 ILE 86 -1.360 12.981 9.018 683 HD13 ILE 86 3HD1 ILE 86 -0.982 14.327 7.943 684 H GLY 87 H GLY 87 -1.711 14.844 14.636 685 HA2 GLY 87 1HA GLY 87 -3.858 13.043 15.353 686 HA3 GLY 87 2HA GLY 87 -2.327 12.681 16.135 687 H SER 88 H SER 88 -3.514 13.101 18.124 688 HA SER 88 HA SER 88 -2.931 15.594 19.229 689 HB2 SER 88 1HB SER 88 -5.126 15.865 17.624 690 HB3 SER 88 2HB SER 88 -5.876 15.513 19.180 691 HG SER 88 HG SER 88 -5.528 17.545 19.570 692 H SER 89 H SER 89 -2.631 12.920 19.955 693 HA SER 89 HA SER 89 -4.390 12.714 22.310 694 HB2 SER 89 1HB SER 89 -4.621 10.861 20.630 695 HB3 SER 89 2HB SER 89 -2.938 10.437 20.945 696 HG SER 89 HG SER 89 -3.459 9.766 22.937 697 H HIS 90 H HIS 90 -3.455 12.035 24.284 698 HA HIS 90 HA HIS 90 -0.933 13.155 24.841 699 HB2 HIS 90 1HB HIS 90 -3.036 11.774 26.322 700 HB3 HIS 90 2HB HIS 90 -1.426 11.397 26.928 701 HD1 HIS 90 1HD HIS 90 0.027 13.973 26.878 702 HD2 HIS 90 2HD HIS 90 -4.001 13.754 27.874 703 HE1 HIS 90 1HE HIS 90 -0.449 16.050 28.214 704 H LEU 91 H LEU 91 0.319 12.066 23.144 705 HA LEU 91 HA LEU 91 1.350 9.478 24.099 706 HB2 LEU 91 1HB LEU 91 0.014 9.922 21.706 707 HB3 LEU 91 2HB LEU 91 1.718 9.905 21.255 708 HG LEU 91 HG LEU 91 0.630 7.707 21.009 709 HD11 LEU 91 1HD1 LEU 91 2.389 6.443 21.941 710 HD12 LEU 91 2HD1 LEU 91 2.650 7.613 23.233 711 HD13 LEU 91 3HD1 LEU 91 3.075 8.025 21.572 712 HD21 LEU 91 1HD2 LEU 91 -0.148 6.461 22.871 713 HD22 LEU 91 2HD2 LEU 91 -0.925 8.042 22.958 714 HD23 LEU 91 3HD2 LEU 91 0.439 7.671 24.013 715 H ALA 92 H ALA 92 3.368 9.704 24.772 716 HA ALA 92 HA ALA 92 5.004 11.860 24.615 717 HB1 ALA 92 1HB ALA 92 6.928 10.165 24.771 718 HB2 ALA 92 2HB ALA 92 5.701 10.151 26.039 719 HB3 ALA 92 3HB ALA 92 5.660 8.938 24.759 720 HA PRO 93 HA PRO 93 6.242 12.342 20.414 721 HB2 PRO 93 1HB PRO 93 8.491 13.810 20.810 722 HB3 PRO 93 2HB PRO 93 6.864 14.474 21.004 723 HG2 PRO 93 1HG PRO 93 8.766 13.481 23.093 724 HG3 PRO 93 2HG PRO 93 7.739 14.928 23.109 725 HD2 PRO 93 1HD PRO 93 7.070 12.653 24.415 726 HD3 PRO 93 2HD PRO 93 5.858 13.741 23.710 727 HA PRO 94 HA PRO 94 9.333 9.401 19.350 728 HB2 PRO 94 1HB PRO 94 10.574 10.568 17.235 729 HB3 PRO 94 2HB PRO 94 8.936 9.907 17.145 730 HG2 PRO 94 1HG PRO 94 9.817 12.746 17.501 731 HG3 PRO 94 2HG PRO 94 8.529 12.095 16.470 732 HD2 PRO 94 1HD PRO 94 8.031 13.257 18.865 733 HD3 PRO 94 2HD PRO 94 7.037 11.936 18.220 734 H ASN 95 H ASN 95 10.562 12.730 19.521 735 HA ASN 95 HA ASN 95 12.607 13.572 20.103 736 HB2 ASN 95 1HB ASN 95 11.868 13.138 22.313 737 HB3 ASN 95 2HB ASN 95 12.138 11.406 22.147 738 HD21 ASN 95 2HD2 ASN 95 13.402 11.414 24.023 739 HD22 ASN 95 1HD2 ASN 95 15.020 12.019 24.019 740 HA PRO 96 HA PRO 96 15.033 10.453 17.737 741 HB2 PRO 96 1HB PRO 96 16.165 12.281 16.080 742 HB3 PRO 96 2HB PRO 96 14.578 11.565 15.779 743 HG2 PRO 96 1HG PRO 96 15.261 14.222 16.975 744 HG3 PRO 96 2HG PRO 96 14.011 13.820 15.784 745 HD2 PRO 96 1HD PRO 96 13.459 14.176 18.410 746 HD3 PRO 96 2HD PRO 96 12.553 13.040 17.389 747 H ASP 97 H ASP 97 17.448 10.547 17.213 748 HA ASP 97 HA ASP 97 18.876 12.016 19.331 749 HB2 ASP 97 1HB ASP 97 18.637 9.218 19.018 750 HB3 ASP 97 2HB ASP 97 20.287 9.633 18.565 751 H LYS 98 H LYS 98 21.279 12.158 18.864 752 HA LYS 98 HA LYS 98 21.638 13.417 16.340 753 HB2 LYS 98 1HB LYS 98 22.840 14.232 18.271 754 HB3 LYS 98 2HB LYS 98 23.608 12.668 18.506 755 HG2 LYS 98 1HG LYS 98 24.203 13.503 15.874 756 HG3 LYS 98 2HG LYS 98 24.486 14.878 16.945 757 HD2 LYS 98 1HD LYS 98 26.071 13.715 18.210 758 HD3 LYS 98 2HD LYS 98 25.525 12.145 17.618 759 HE2 LYS 98 1HE LYS 98 26.782 12.269 15.752 760 HE3 LYS 98 2HE LYS 98 26.485 13.995 15.546 761 HZ1 LYS 98 1HZ LYS 98 28.665 14.061 16.100 762 HZ2 LYS 98 2HZ LYS 98 28.612 12.638 17.014 763 HZ3 LYS 98 3HZ LYS 98 28.030 14.085 17.668 764 H SER 99 H SER 99 23.148 10.518 17.770 765 HA SER 99 HA SER 99 24.241 8.757 16.815 766 HB2 SER 99 1HB SER 99 22.979 7.542 15.253 767 HB3 SER 99 2HB SER 99 21.765 8.508 16.092 768 HG SER 99 HG SER 99 21.390 9.578 14.312 769 H GLY 100 H GLY 100 25.106 7.921 14.528 770 HA2 GLY 100 1HA GLY 100 25.789 9.617 12.469 771 HA3 GLY 100 2HA GLY 100 27.007 9.892 13.707 772 HA PRO 101 HA PRO 101 27.622 5.841 11.146 773 HB2 PRO 101 1HB PRO 101 28.886 6.756 8.924 774 HB3 PRO 101 2HB PRO 101 27.135 6.532 9.010 775 HG2 PRO 101 1HG PRO 101 28.741 9.040 9.312 776 HG3 PRO 101 2HG PRO 101 27.228 8.780 8.425 777 HD2 PRO 101 1HD PRO 101 27.299 9.919 10.881 778 HD3 PRO 101 2HD PRO 101 25.939 8.919 10.331 779 H SER 102 H SER 102 29.864 5.115 10.244 780 HA SER 102 HA SER 102 32.207 6.510 10.873 781 HB2 SER 102 1HB SER 102 32.913 5.526 12.947 782 HB3 SER 102 2HB SER 102 31.305 6.205 13.208 783 HG SER 102 HG SER 102 31.522 4.083 14.066 784 H SER 103 H SER 103 34.137 4.961 11.037 785 HA SER 103 HA SER 103 35.346 3.199 10.235 786 HB2 SER 103 1HB SER 103 33.052 1.984 11.081 787 HB3 SER 103 2HB SER 103 33.058 1.553 9.371 788 HG SER 103 HG SER 103 35.442 1.066 9.966 789 H GLY 104 H GLY 104 36.068 2.383 8.215 790 HA2 GLY 104 1HA GLY 104 35.642 2.024 5.839 791 HA3 GLY 104 2HA GLY 104 34.599 3.439 5.880 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -1.341 14.836 -10.267 2 HA2 GLY 1 1HA GLY 1 -3.735 14.121 -10.281 3 HA3 GLY 1 2HA GLY 1 -3.150 12.586 -10.908 4 H SER 2 H SER 2 -3.337 14.663 -8.097 5 HA SER 2 HA SER 2 -3.155 14.252 -5.867 6 HB2 SER 2 1HB SER 2 -3.716 11.432 -6.809 7 HB3 SER 2 2HB SER 2 -3.690 11.917 -5.114 8 HG SER 2 HG SER 2 -5.463 13.164 -5.434 9 H SER 3 H SER 3 -1.928 12.805 -4.202 10 HA SER 3 HA SER 3 0.479 11.555 -5.113 11 HB2 SER 3 1HB SER 3 0.624 14.306 -4.991 12 HB3 SER 3 2HB SER 3 1.258 13.816 -3.421 13 HG SER 3 HG SER 3 2.144 12.630 -5.827 14 H GLY 4 H GLY 4 -0.273 9.877 -3.793 15 HA2 GLY 4 1HA GLY 4 0.341 8.790 -1.741 16 HA3 GLY 4 2HA GLY 4 0.203 10.340 -0.925 17 H SER 5 H SER 5 -1.831 8.117 -2.832 18 HA SER 5 HA SER 5 -3.896 8.371 -0.761 19 HB2 SER 5 1HB SER 5 -5.638 8.483 -2.537 20 HB3 SER 5 2HB SER 5 -4.577 9.892 -2.529 21 HG SER 5 HG SER 5 -5.102 8.386 -4.567 22 H SER 6 H SER 6 -5.019 6.528 -0.324 23 HA SER 6 HA SER 6 -5.575 4.321 -0.303 24 HB2 SER 6 1HB SER 6 -4.609 4.183 -3.163 25 HB3 SER 6 2HB SER 6 -5.775 3.126 -2.368 26 HG SER 6 HG SER 6 -6.907 5.329 -2.058 27 H GLY 7 H GLY 7 -3.375 4.712 0.996 28 HA2 GLY 7 1HA GLY 7 -1.340 2.873 -0.086 29 HA3 GLY 7 2HA GLY 7 -1.037 4.111 1.125 30 H LEU 8 H LEU 8 -0.221 1.476 1.466 31 HA LEU 8 HA LEU 8 -1.771 0.770 3.839 32 HB2 LEU 8 1HB LEU 8 -1.274 -0.983 1.475 33 HB3 LEU 8 2HB LEU 8 -1.350 -1.697 3.085 34 HG LEU 8 HG LEU 8 -3.560 -0.075 1.827 35 HD11 LEU 8 1HD1 LEU 8 -2.755 -2.756 1.326 36 HD12 LEU 8 2HD1 LEU 8 -4.151 -1.884 0.695 37 HD13 LEU 8 3HD1 LEU 8 -4.282 -2.781 2.207 38 HD21 LEU 8 1HD2 LEU 8 -4.019 0.088 4.052 39 HD22 LEU 8 2HD2 LEU 8 -3.162 -1.400 4.454 40 HD23 LEU 8 3HD2 LEU 8 -4.766 -1.476 3.724 41 H ILE 9 H ILE 9 -0.593 -0.306 5.442 42 HA ILE 9 HA ILE 9 2.321 -0.361 4.992 43 HB ILE 9 HB ILE 9 0.970 0.090 7.650 44 HG12 ILE 9 1HG1 ILE 9 0.596 1.888 5.826 45 HG13 ILE 9 2HG1 ILE 9 1.189 2.407 7.400 46 HG21 ILE 9 1HG2 ILE 9 3.155 0.776 8.398 47 HG22 ILE 9 2HG2 ILE 9 3.271 -0.824 7.667 48 HG23 ILE 9 3HG2 ILE 9 3.809 0.596 6.770 49 HD11 ILE 9 1HD1 ILE 9 3.435 2.564 6.541 50 HD12 ILE 9 2HD1 ILE 9 2.910 1.932 4.980 51 HD13 ILE 9 3HD1 ILE 9 2.337 3.505 5.531 52 H ALA 10 H ALA 10 2.572 -2.507 4.506 53 HA ALA 10 HA ALA 10 1.357 -4.556 6.148 54 HB1 ALA 10 1HB ALA 10 3.369 -5.603 4.412 55 HB2 ALA 10 2HB ALA 10 1.618 -5.794 4.328 56 HB3 ALA 10 3HB ALA 10 2.394 -4.425 3.532 57 H CYS 11 H CYS 11 2.230 -5.418 7.910 58 HA CYS 11 HA CYS 11 5.050 -4.850 8.497 59 HB2 CYS 11 1HB CYS 11 2.613 -5.207 10.152 60 HB3 CYS 11 2HB CYS 11 4.117 -5.819 10.830 61 HG CYS 11 HG CYS 11 4.011 -2.637 9.639 62 H VAL 12 H VAL 12 6.314 -6.444 7.769 63 HA VAL 12 HA VAL 12 5.434 -9.226 8.103 64 HB VAL 12 HB VAL 12 7.803 -9.322 6.691 65 HG11 VAL 12 1HG1 VAL 12 4.912 -9.444 5.988 66 HG12 VAL 12 2HG1 VAL 12 6.106 -9.475 4.689 67 HG13 VAL 12 3HG1 VAL 12 6.137 -10.711 5.947 68 HG21 VAL 12 1HG2 VAL 12 6.225 -6.916 5.784 69 HG22 VAL 12 2HG2 VAL 12 7.862 -6.909 6.440 70 HG23 VAL 12 3HG2 VAL 12 7.540 -7.670 4.883 71 H ALA 13 H ALA 13 7.025 -10.815 8.807 72 HA ALA 13 HA ALA 13 8.967 -9.668 10.707 73 HB1 ALA 13 1HB ALA 13 8.605 -11.689 12.088 74 HB2 ALA 13 2HB ALA 13 7.153 -10.703 11.909 75 HB3 ALA 13 3HB ALA 13 7.333 -12.187 10.972 76 H ASN 14 H ASN 14 8.617 -11.447 7.905 77 HA ASN 14 HA ASN 14 10.886 -13.203 8.330 78 HB2 ASN 14 1HB ASN 14 9.001 -12.732 6.030 79 HB3 ASN 14 2HB ASN 14 10.458 -13.701 5.833 80 HD21 ASN 14 2HD2 ASN 14 8.270 -14.997 5.304 81 HD22 ASN 14 1HD2 ASN 14 7.802 -16.063 6.580 82 H ASP 15 H ASP 15 12.743 -12.053 8.498 83 HA ASP 15 HA ASP 15 13.441 -9.703 7.239 84 HB2 ASP 15 1HB ASP 15 15.248 -12.007 8.006 85 HB3 ASP 15 2HB ASP 15 15.799 -10.378 7.621 86 H ASP 16 H ASP 16 13.077 -12.806 5.863 87 HA ASP 16 HA ASP 16 14.853 -12.500 3.655 88 HB2 ASP 16 1HB ASP 16 12.404 -14.252 3.639 89 HB3 ASP 16 2HB ASP 16 13.948 -14.512 2.831 90 H VAL 17 H VAL 17 11.400 -11.912 4.145 91 HA VAL 17 HA VAL 17 10.524 -11.406 1.609 92 HB VAL 17 HB VAL 17 9.842 -9.934 4.152 93 HG11 VAL 17 1HG1 VAL 17 9.376 -8.537 2.162 94 HG12 VAL 17 2HG1 VAL 17 8.357 -9.831 1.528 95 HG13 VAL 17 3HG1 VAL 17 7.916 -9.015 3.030 96 HG21 VAL 17 1HG2 VAL 17 9.302 -12.335 4.072 97 HG22 VAL 17 2HG2 VAL 17 7.856 -11.328 4.139 98 HG23 VAL 17 3HG2 VAL 17 8.351 -12.058 2.612 99 H PHE 18 H PHE 18 12.745 -9.523 3.488 100 HA PHE 18 HA PHE 18 12.545 -7.200 1.765 101 HB2 PHE 18 1HB PHE 18 14.435 -7.824 4.044 102 HB3 PHE 18 2HB PHE 18 14.347 -6.282 3.198 103 HD1 PHE 18 2HD PHE 18 12.399 -8.626 5.303 104 HD2 PHE 18 1HD PHE 18 12.799 -4.651 3.834 105 HE1 PHE 18 2HE PHE 18 10.650 -7.877 6.863 106 HE2 PHE 18 1HE PHE 18 11.052 -3.895 5.392 107 HZ PHE 18 HZ PHE 18 9.974 -5.508 6.909 108 H SER 19 H SER 19 13.247 -9.599 0.433 109 HA SER 19 HA SER 19 15.858 -8.802 -0.627 110 HB2 SER 19 1HB SER 19 16.212 -10.684 0.976 111 HB3 SER 19 2HB SER 19 15.148 -11.680 -0.016 112 HG SER 19 HG SER 19 17.256 -10.401 -1.305 113 H GLU 20 H GLU 20 15.407 -8.252 -2.654 114 HA GLU 20 HA GLU 20 13.197 -9.056 -4.142 115 HB2 GLU 20 1HB GLU 20 14.334 -8.118 -6.076 116 HB3 GLU 20 2HB GLU 20 14.567 -7.081 -4.675 117 HG2 GLU 20 1HG GLU 20 16.784 -8.342 -4.372 118 HG3 GLU 20 2HG GLU 20 16.538 -8.874 -6.034 119 H SER 21 H SER 21 15.972 -10.813 -3.344 120 HA SER 21 HA SER 21 16.712 -12.379 -5.382 121 HB2 SER 21 1HB SER 21 17.333 -12.653 -2.937 122 HB3 SER 21 2HB SER 21 15.866 -13.615 -2.758 123 HG SER 21 HG SER 21 16.886 -15.229 -3.610 124 H GLU 22 H GLU 22 13.918 -13.311 -3.365 125 HA GLU 22 HA GLU 22 12.362 -14.007 -5.683 126 HB2 GLU 22 1HB GLU 22 14.005 -16.002 -4.492 127 HB3 GLU 22 2HB GLU 22 12.333 -16.382 -4.103 128 HG2 GLU 22 1HG GLU 22 11.959 -15.938 -6.654 129 HG3 GLU 22 2HG GLU 22 13.686 -16.270 -6.749 130 H THR 23 H THR 23 12.591 -14.851 -2.223 131 HA THR 23 HA THR 23 10.049 -15.168 -1.477 132 HB THR 23 HB THR 23 11.820 -13.276 0.070 133 HG1 THR 23 1HG THR 23 13.175 -14.902 0.102 134 HG21 THR 23 1HG2 THR 23 10.461 -13.641 1.830 135 HG22 THR 23 2HG2 THR 23 10.258 -15.350 1.442 136 HG23 THR 23 3HG2 THR 23 9.289 -14.135 0.609 137 H ARG 24 H ARG 24 11.527 -11.926 -1.695 138 HA ARG 24 HA ARG 24 9.458 -10.309 -1.078 139 HB2 ARG 24 1HB ARG 24 11.554 -9.348 -1.705 140 HB3 ARG 24 2HB ARG 24 11.442 -10.010 -3.330 141 HG2 ARG 24 1HG ARG 24 9.660 -8.511 -3.888 142 HG3 ARG 24 2HG ARG 24 9.560 -7.943 -2.219 143 HD2 ARG 24 1HD ARG 24 11.983 -7.213 -2.491 144 HD3 ARG 24 2HD ARG 24 11.758 -7.487 -4.218 145 HE ARG 24 HE ARG 24 9.694 -5.834 -3.267 146 HH11 ARG 24 2HH1 ARG 24 13.119 -5.772 -3.886 147 HH12 ARG 24 1HH1 ARG 24 13.164 -4.069 -4.200 148 HH21 ARG 24 2HH2 ARG 24 9.740 -3.591 -3.679 149 HH22 ARG 24 1HH2 ARG 24 11.241 -2.829 -4.081 150 H ALA 25 H ALA 25 10.009 -11.621 -4.348 151 HA ALA 25 HA ALA 25 7.848 -10.596 -5.671 152 HB1 ALA 25 1HB ALA 25 8.398 -13.456 -6.191 153 HB2 ALA 25 2HB ALA 25 8.301 -12.094 -7.309 154 HB3 ALA 25 3HB ALA 25 9.756 -12.341 -6.345 155 H LYS 26 H LYS 26 7.906 -13.435 -3.557 156 HA LYS 26 HA LYS 26 5.276 -14.298 -3.995 157 HB2 LYS 26 1HB LYS 26 6.981 -14.542 -1.510 158 HB3 LYS 26 2HB LYS 26 5.500 -15.442 -1.807 159 HG2 LYS 26 1HG LYS 26 6.471 -16.706 -3.514 160 HG3 LYS 26 2HG LYS 26 7.819 -15.582 -3.699 161 HD2 LYS 26 1HD LYS 26 8.179 -16.285 -1.136 162 HD3 LYS 26 2HD LYS 26 7.408 -17.756 -1.734 163 HE2 LYS 26 1HE LYS 26 9.104 -18.124 -3.320 164 HE3 LYS 26 2HE LYS 26 9.724 -16.482 -3.161 165 HZ1 LYS 26 1HZ LYS 26 10.575 -16.982 -1.013 166 HZ2 LYS 26 2HZ LYS 26 11.089 -18.215 -2.049 167 HZ3 LYS 26 3HZ LYS 26 9.810 -18.490 -0.978 168 H PHE 27 H PHE 27 6.567 -11.719 -2.046 169 HA PHE 27 HA PHE 27 4.034 -11.304 -0.673 170 HB2 PHE 27 1HB PHE 27 5.843 -10.931 0.770 171 HB3 PHE 27 2HB PHE 27 6.766 -10.072 -0.458 172 HD1 PHE 27 1HD PHE 27 5.639 -7.846 -1.314 173 HD2 PHE 27 2HD PHE 27 4.822 -9.712 2.424 174 HE1 PHE 27 1HE PHE 27 4.830 -5.699 -0.423 175 HE2 PHE 27 2HE PHE 27 4.010 -7.569 3.320 176 HZ PHE 27 HZ PHE 27 4.013 -5.559 1.896 177 H GLU 28 H GLU 28 5.938 -9.939 -3.264 178 HA GLU 28 HA GLU 28 4.425 -7.523 -3.493 179 HB2 GLU 28 1HB GLU 28 6.580 -8.863 -5.038 180 HB3 GLU 28 2HB GLU 28 5.574 -7.713 -5.908 181 HG2 GLU 28 1HG GLU 28 6.106 -6.011 -4.201 182 HG3 GLU 28 2HG GLU 28 7.188 -7.168 -3.427 183 H SER 29 H SER 29 4.638 -10.420 -5.565 184 HA SER 29 HA SER 29 2.735 -9.894 -7.422 185 HB2 SER 29 1HB SER 29 2.438 -12.258 -7.706 186 HB3 SER 29 2HB SER 29 4.115 -11.997 -7.226 187 HG SER 29 HG SER 29 3.758 -13.026 -5.417 188 H LEU 30 H LEU 30 2.189 -10.832 -4.079 189 HA LEU 30 HA LEU 30 -0.482 -11.478 -4.092 190 HB2 LEU 30 1HB LEU 30 1.145 -9.964 -2.068 191 HB3 LEU 30 2HB LEU 30 -0.526 -10.444 -1.776 192 HG LEU 30 HG LEU 30 1.634 -12.433 -2.438 193 HD11 LEU 30 1HD1 LEU 30 0.695 -11.907 0.350 194 HD12 LEU 30 2HD1 LEU 30 2.021 -10.969 -0.335 195 HD13 LEU 30 3HD1 LEU 30 2.157 -12.722 -0.206 196 HD21 LEU 30 1HD2 LEU 30 -0.087 -13.797 -0.993 197 HD22 LEU 30 2HD2 LEU 30 -0.356 -13.531 -2.716 198 HD23 LEU 30 3HD2 LEU 30 -1.199 -12.537 -1.527 199 H PHE 31 H PHE 31 0.831 -8.211 -3.507 200 HA PHE 31 HA PHE 31 -1.748 -6.992 -3.780 201 HB2 PHE 31 1HB PHE 31 0.908 -5.564 -3.865 202 HB3 PHE 31 2HB PHE 31 -0.651 -4.926 -3.351 203 HD1 PHE 31 1HD PHE 31 2.079 -7.238 -2.442 204 HD2 PHE 31 2HD PHE 31 -1.395 -5.160 -1.125 205 HE1 PHE 31 1HE PHE 31 2.614 -7.825 -0.114 206 HE2 PHE 31 2HE PHE 31 -0.866 -5.744 1.205 207 HZ PHE 31 HZ PHE 31 1.142 -7.078 1.714 208 H ARG 32 H ARG 32 1.223 -6.977 -5.740 209 HA ARG 32 HA ARG 32 0.530 -5.364 -7.809 210 HB2 ARG 32 1HB ARG 32 2.525 -7.210 -7.362 211 HB3 ARG 32 2HB ARG 32 1.701 -7.871 -8.768 212 HG2 ARG 32 1HG ARG 32 2.277 -4.990 -8.885 213 HG3 ARG 32 2HG ARG 32 3.686 -6.053 -8.885 214 HD2 ARG 32 1HD ARG 32 2.416 -7.364 -10.708 215 HD3 ARG 32 2HD ARG 32 1.428 -5.911 -10.851 216 HE ARG 32 HE ARG 32 4.000 -5.010 -11.015 217 HH11 ARG 32 2HH1 ARG 32 2.094 -7.359 -12.739 218 HH12 ARG 32 1HH1 ARG 32 2.941 -7.141 -14.235 219 HH21 ARG 32 2HH2 ARG 32 5.123 -4.714 -12.979 220 HH22 ARG 32 1HH2 ARG 32 4.664 -5.637 -14.370 221 H THR 33 H THR 33 -0.325 -8.805 -7.520 222 HA THR 33 HA THR 33 -1.582 -9.350 -9.835 223 HB THR 33 HB THR 33 -2.603 -10.022 -7.070 224 HG1 THR 33 1HG THR 33 -1.618 -12.124 -7.876 225 HG21 THR 33 1HG2 THR 33 -3.924 -11.764 -8.088 226 HG22 THR 33 2HG2 THR 33 -3.322 -11.340 -9.690 227 HG23 THR 33 3HG2 THR 33 -4.367 -10.221 -8.814 228 H TYR 34 H TYR 34 -2.964 -7.443 -7.188 229 HA TYR 34 HA TYR 34 -5.488 -7.053 -8.445 230 HB2 TYR 34 1HB TYR 34 -4.294 -5.230 -6.365 231 HB3 TYR 34 2HB TYR 34 -5.992 -5.595 -6.652 232 HD1 TYR 34 1HD TYR 34 -6.239 -8.413 -6.642 233 HD2 TYR 34 2HD TYR 34 -3.622 -6.007 -4.305 234 HE1 TYR 34 1HE TYR 34 -6.152 -10.179 -4.930 235 HE2 TYR 34 2HE TYR 34 -3.528 -7.765 -2.588 236 HH TYR 34 HH TYR 34 -4.686 -9.662 -1.830 237 H ASP 35 H ASP 35 -3.059 -4.567 -7.659 238 HA ASP 35 HA ASP 35 -3.843 -3.154 -10.118 239 HB2 ASP 35 1HB ASP 35 -3.354 -2.281 -7.409 240 HB3 ASP 35 2HB ASP 35 -2.282 -1.440 -8.527 241 H LYS 36 H LYS 36 -2.268 -2.306 -11.499 242 HA LYS 36 HA LYS 36 0.278 -3.732 -11.401 243 HB2 LYS 36 1HB LYS 36 -1.001 -2.093 -13.597 244 HB3 LYS 36 2HB LYS 36 0.537 -2.933 -13.739 245 HG2 LYS 36 1HG LYS 36 -1.177 -4.908 -12.880 246 HG3 LYS 36 2HG LYS 36 -2.174 -3.949 -13.976 247 HD2 LYS 36 1HD LYS 36 -1.218 -5.077 -15.646 248 HD3 LYS 36 2HD LYS 36 0.259 -4.177 -15.292 249 HE2 LYS 36 1HE LYS 36 1.213 -6.155 -14.903 250 HE3 LYS 36 2HE LYS 36 0.265 -6.206 -13.417 251 HZ1 LYS 36 1HZ LYS 36 -1.528 -7.133 -15.107 252 HZ2 LYS 36 2HZ LYS 36 -0.412 -8.142 -14.334 253 HZ3 LYS 36 3HZ LYS 36 -0.135 -7.637 -15.925 254 H ASP 37 H ASP 37 -1.042 -0.554 -11.040 255 HA ASP 37 HA ASP 37 1.589 0.700 -11.203 256 HB2 ASP 37 1HB ASP 37 -1.025 1.570 -11.774 257 HB3 ASP 37 2HB ASP 37 -0.513 2.488 -10.361 258 H THR 38 H THR 38 0.856 -1.186 -9.052 259 HA THR 38 HA THR 38 0.571 0.424 -6.670 260 HB THR 38 HB THR 38 1.234 -1.977 -5.669 261 HG1 THR 38 1HG THR 38 -0.118 -2.738 -8.027 262 HG21 THR 38 1HG2 THR 38 -1.281 -2.532 -5.941 263 HG22 THR 38 2HG2 THR 38 -1.380 -0.956 -6.725 264 HG23 THR 38 3HG2 THR 38 -0.824 -1.078 -5.056 265 H THR 39 H THR 39 2.209 1.460 -5.760 266 HA THR 39 HA THR 39 4.949 0.683 -6.367 267 HB THR 39 HB THR 39 5.634 2.776 -5.473 268 HG1 THR 39 1HG THR 39 3.228 2.595 -4.097 269 HG21 THR 39 1HG2 THR 39 3.486 4.202 -6.503 270 HG22 THR 39 2HG2 THR 39 3.429 2.658 -7.356 271 HG23 THR 39 3HG2 THR 39 4.896 3.637 -7.399 272 H PHE 40 H PHE 40 6.304 -0.287 -4.981 273 HA PHE 40 HA PHE 40 5.320 -0.803 -2.255 274 HB2 PHE 40 1HB PHE 40 7.284 -2.405 -3.908 275 HB3 PHE 40 2HB PHE 40 6.749 -2.806 -2.280 276 HD1 PHE 40 2HD PHE 40 5.400 -2.162 -5.690 277 HD2 PHE 40 1HD PHE 40 4.965 -4.238 -2.000 278 HE1 PHE 40 2HE PHE 40 3.511 -3.427 -6.628 279 HE2 PHE 40 1HE PHE 40 3.076 -5.508 -2.932 280 HZ PHE 40 HZ PHE 40 2.346 -5.102 -5.249 281 H GLN 41 H GLN 41 6.466 -0.115 -0.555 282 HA GLN 41 HA GLN 41 9.198 0.873 -1.034 283 HB2 GLN 41 1HB GLN 41 6.964 2.404 -0.329 284 HB3 GLN 41 2HB GLN 41 7.878 2.222 1.162 285 HG2 GLN 41 1HG GLN 41 9.173 3.881 0.491 286 HG3 GLN 41 2HG GLN 41 9.776 2.828 -0.787 287 HE21 GLN 41 2HE2 GLN 41 6.983 4.896 -0.071 288 HE22 GLN 41 1HE2 GLN 41 6.858 5.569 -1.658 289 H TYR 42 H TYR 42 10.466 -0.602 -0.089 290 HA TYR 42 HA TYR 42 9.666 -1.795 2.451 291 HB2 TYR 42 1HB TYR 42 11.889 -2.410 0.505 292 HB3 TYR 42 2HB TYR 42 11.756 -3.193 2.076 293 HD1 TYR 42 1HD TYR 42 10.132 -2.780 -1.213 294 HD2 TYR 42 2HD TYR 42 10.166 -4.929 2.459 295 HE1 TYR 42 1HE TYR 42 8.596 -4.440 -2.177 296 HE2 TYR 42 2HE TYR 42 8.632 -6.596 1.503 297 HH TYR 42 HH TYR 42 7.193 -6.162 -1.675 298 H PHE 43 H PHE 43 10.576 -1.325 4.363 299 HA PHE 43 HA PHE 43 12.793 0.614 4.367 300 HB2 PHE 43 1HB PHE 43 10.603 0.177 6.406 301 HB3 PHE 43 2HB PHE 43 11.953 1.286 6.615 302 HD1 PHE 43 2HD PHE 43 8.814 0.665 4.854 303 HD2 PHE 43 1HD PHE 43 12.063 3.360 5.386 304 HE1 PHE 43 2HE PHE 43 7.532 2.428 3.713 305 HE2 PHE 43 1HE PHE 43 10.788 5.129 4.247 306 HZ PHE 43 HZ PHE 43 8.519 4.664 3.408 307 H LYS 44 H LYS 44 14.676 -0.233 4.929 308 HA LYS 44 HA LYS 44 14.787 -2.713 6.437 309 HB2 LYS 44 1HB LYS 44 16.228 -2.052 4.369 310 HB3 LYS 44 2HB LYS 44 17.193 -1.160 5.539 311 HG2 LYS 44 1HG LYS 44 18.120 -3.016 6.378 312 HG3 LYS 44 2HG LYS 44 16.610 -3.928 6.305 313 HD2 LYS 44 1HD LYS 44 16.939 -4.503 4.054 314 HD3 LYS 44 2HD LYS 44 18.170 -3.258 3.827 315 HE2 LYS 44 1HE LYS 44 19.150 -4.862 5.880 316 HE3 LYS 44 2HE LYS 44 18.448 -5.994 4.725 317 HZ1 LYS 44 1HZ LYS 44 20.403 -5.781 3.693 318 HZ2 LYS 44 2HZ LYS 44 20.798 -4.340 4.483 319 HZ3 LYS 44 3HZ LYS 44 19.795 -4.310 3.122 320 H SER 45 H SER 45 13.888 -0.259 7.755 321 HA SER 45 HA SER 45 15.852 -0.249 9.935 322 HB2 SER 45 1HB SER 45 15.277 2.237 10.227 323 HB3 SER 45 2HB SER 45 16.345 1.812 8.889 324 HG SER 45 HG SER 45 13.581 1.913 8.442 325 H PHE 46 H PHE 46 12.556 0.264 8.847 326 HA PHE 46 HA PHE 46 11.642 -0.082 11.627 327 HB2 PHE 46 1HB PHE 46 10.181 1.353 9.401 328 HB3 PHE 46 2HB PHE 46 9.665 1.223 11.080 329 HD1 PHE 46 1HD PHE 46 11.431 2.122 12.830 330 HD2 PHE 46 2HD PHE 46 11.246 3.272 8.735 331 HE1 PHE 46 1HE PHE 46 12.637 4.200 13.361 332 HE2 PHE 46 2HE PHE 46 12.451 5.352 9.261 333 HZ PHE 46 HZ PHE 46 13.149 5.817 11.576 334 H LYS 47 H LYS 47 12.222 -2.016 9.360 335 HA LYS 47 HA LYS 47 11.197 -3.745 8.217 336 HB2 LYS 47 1HB LYS 47 10.397 -3.927 11.100 337 HB3 LYS 47 2HB LYS 47 9.820 -5.131 9.955 338 HG2 LYS 47 1HG LYS 47 12.735 -4.480 10.214 339 HG3 LYS 47 2HG LYS 47 11.942 -5.652 11.270 340 HD2 LYS 47 1HD LYS 47 11.166 -6.849 9.209 341 HD3 LYS 47 2HD LYS 47 12.184 -5.757 8.267 342 HE2 LYS 47 1HE LYS 47 13.737 -6.820 10.399 343 HE3 LYS 47 2HE LYS 47 12.913 -8.155 9.597 344 HZ1 LYS 47 1HZ LYS 47 14.406 -6.093 8.089 345 HZ2 LYS 47 2HZ LYS 47 13.892 -7.613 7.553 346 HZ3 LYS 47 3HZ LYS 47 15.151 -7.493 8.677 347 H ARG 48 H ARG 48 9.807 -1.454 7.600 348 HA ARG 48 HA ARG 48 7.000 -2.350 7.674 349 HB2 ARG 48 1HB ARG 48 8.223 0.260 8.152 350 HB3 ARG 48 2HB ARG 48 6.924 0.319 6.968 351 HG2 ARG 48 1HG ARG 48 5.378 -0.640 8.537 352 HG3 ARG 48 2HG ARG 48 6.670 -0.887 9.714 353 HD2 ARG 48 1HD ARG 48 6.217 1.861 8.673 354 HD3 ARG 48 2HD ARG 48 5.057 1.208 9.828 355 HE ARG 48 HE ARG 48 7.748 0.869 10.707 356 HH11 ARG 48 2HH1 ARG 48 5.149 3.171 10.462 357 HH12 ARG 48 1HH1 ARG 48 5.694 4.126 11.802 358 HH21 ARG 48 2HH2 ARG 48 8.477 2.118 12.471 359 HH22 ARG 48 1HH2 ARG 48 7.588 3.527 12.943 360 H VAL 49 H VAL 49 5.721 -1.915 5.772 361 HA VAL 49 HA VAL 49 7.276 -1.505 3.312 362 HB VAL 49 HB VAL 49 5.215 -3.685 3.678 363 HG11 VAL 49 1HG1 VAL 49 5.920 -2.351 1.370 364 HG12 VAL 49 2HG1 VAL 49 6.927 -3.800 1.331 365 HG13 VAL 49 3HG1 VAL 49 5.174 -3.947 1.462 366 HG21 VAL 49 1HG2 VAL 49 7.511 -3.982 4.769 367 HG22 VAL 49 2HG2 VAL 49 6.949 -5.258 3.689 368 HG23 VAL 49 3HG2 VAL 49 8.138 -4.084 3.123 369 H ARG 50 H ARG 50 6.460 0.419 2.698 370 HA ARG 50 HA ARG 50 3.633 0.993 2.932 371 HB2 ARG 50 1HB ARG 50 5.141 2.804 3.387 372 HB3 ARG 50 2HB ARG 50 5.960 2.581 1.846 373 HG2 ARG 50 1HG ARG 50 4.654 4.242 1.134 374 HG3 ARG 50 2HG ARG 50 3.388 3.015 1.054 375 HD2 ARG 50 1HD ARG 50 2.221 4.076 2.616 376 HD3 ARG 50 2HD ARG 50 3.581 3.973 3.734 377 HE ARG 50 HE ARG 50 2.691 6.287 2.396 378 HH11 ARG 50 2HH1 ARG 50 5.619 4.638 3.303 379 HH12 ARG 50 1HH1 ARG 50 6.565 6.088 3.385 380 HH21 ARG 50 2HH2 ARG 50 3.924 8.203 2.500 381 HH22 ARG 50 1HH2 ARG 50 5.600 8.115 2.929 382 H ILE 51 H ILE 51 2.304 0.088 1.499 383 HA ILE 51 HA ILE 51 3.169 -0.095 -1.309 384 HB ILE 51 HB ILE 51 0.936 -1.604 0.054 385 HG12 ILE 51 1HG1 ILE 51 2.991 -3.331 -0.846 386 HG13 ILE 51 2HG1 ILE 51 3.775 -2.033 0.048 387 HG21 ILE 51 1HG2 ILE 51 1.218 -3.031 -2.066 388 HG22 ILE 51 2HG2 ILE 51 0.365 -1.495 -2.200 389 HG23 ILE 51 3HG2 ILE 51 2.042 -1.621 -2.730 390 HD11 ILE 51 1HD1 ILE 51 2.522 -4.307 1.076 391 HD12 ILE 51 2HD1 ILE 51 3.159 -2.927 1.972 392 HD13 ILE 51 3HD1 ILE 51 1.468 -2.951 1.475 393 H ASN 52 H ASN 52 2.452 1.553 -2.485 394 HA ASN 52 HA ASN 52 -0.113 2.794 -1.831 395 HB2 ASN 52 1HB ASN 52 2.257 3.940 -2.459 396 HB3 ASN 52 2HB ASN 52 1.514 3.874 -4.055 397 HD21 ASN 52 2HD2 ASN 52 1.751 5.578 -1.188 398 HD22 ASN 52 1HD2 ASN 52 0.425 6.660 -1.416 399 H PHE 53 H PHE 53 -1.889 2.553 -3.039 400 HA PHE 53 HA PHE 53 -1.650 0.986 -5.514 401 HB2 PHE 53 1HB PHE 53 -4.092 1.438 -3.787 402 HB3 PHE 53 2HB PHE 53 -3.988 0.370 -5.182 403 HD1 PHE 53 2HD PHE 53 -2.148 0.947 -1.984 404 HD2 PHE 53 1HD PHE 53 -3.776 -1.862 -4.737 405 HE1 PHE 53 2HE PHE 53 -1.443 -0.896 -0.515 406 HE2 PHE 53 1HE PHE 53 -3.074 -3.710 -3.271 407 HZ PHE 53 HZ PHE 53 -1.905 -3.229 -1.158 408 H SER 54 H SER 54 -3.233 1.498 -7.240 409 HA SER 54 HA SER 54 -3.179 4.329 -7.784 410 HB2 SER 54 1HB SER 54 -2.880 2.250 -9.414 411 HB3 SER 54 2HB SER 54 -4.628 2.424 -9.568 412 HG SER 54 HG SER 54 -4.177 4.687 -10.058 413 H ASN 55 H ASN 55 -5.370 2.166 -6.368 414 HA ASN 55 HA ASN 55 -7.411 4.236 -6.287 415 HB2 ASN 55 1HB ASN 55 -9.150 2.362 -6.794 416 HB3 ASN 55 2HB ASN 55 -8.321 3.148 -8.134 417 HD21 ASN 55 2HD2 ASN 55 -8.469 1.477 -9.554 418 HD22 ASN 55 1HD2 ASN 55 -7.653 -0.032 -9.345 419 HA PRO 56 HA PRO 56 -7.872 2.811 -2.157 420 HB2 PRO 56 1HB PRO 56 -10.426 3.584 -1.658 421 HB3 PRO 56 2HB PRO 56 -9.082 4.726 -1.774 422 HG2 PRO 56 1HG PRO 56 -11.132 4.000 -3.830 423 HG3 PRO 56 2HG PRO 56 -10.495 5.598 -3.401 424 HD2 PRO 56 1HD PRO 56 -9.642 4.224 -5.573 425 HD3 PRO 56 2HD PRO 56 -8.581 5.310 -4.651 426 H LEU 57 H LEU 57 -9.996 1.708 -4.667 427 HA LEU 57 HA LEU 57 -11.585 -0.099 -3.232 428 HB2 LEU 57 1HB LEU 57 -10.642 -0.056 -6.084 429 HB3 LEU 57 2HB LEU 57 -11.721 -1.306 -5.468 430 HG LEU 57 HG LEU 57 -12.567 1.496 -5.038 431 HD11 LEU 57 1HD1 LEU 57 -11.571 1.074 -7.473 432 HD12 LEU 57 2HD1 LEU 57 -13.005 2.060 -7.188 433 HD13 LEU 57 3HD1 LEU 57 -13.177 0.385 -7.712 434 HD21 LEU 57 1HD2 LEU 57 -14.187 -0.733 -6.194 435 HD22 LEU 57 2HD2 LEU 57 -14.693 0.603 -5.158 436 HD23 LEU 57 3HD2 LEU 57 -13.772 -0.740 -4.480 437 H SER 58 H SER 58 -8.597 -0.713 -5.080 438 HA SER 58 HA SER 58 -8.339 -3.411 -4.370 439 HB2 SER 58 1HB SER 58 -6.742 -1.412 -5.729 440 HB3 SER 58 2HB SER 58 -5.733 -2.443 -4.715 441 HG SER 58 HG SER 58 -7.152 -4.179 -5.803 442 H ALA 59 H ALA 59 -6.991 -0.487 -2.885 443 HA ALA 59 HA ALA 59 -5.307 -1.479 -1.002 444 HB1 ALA 59 1HB ALA 59 -7.325 0.732 -0.638 445 HB2 ALA 59 2HB ALA 59 -5.962 0.424 0.440 446 HB3 ALA 59 3HB ALA 59 -5.673 0.888 -1.236 447 H ALA 60 H ALA 60 -8.746 -1.879 -1.118 448 HA ALA 60 HA ALA 60 -8.917 -2.821 1.626 449 HB1 ALA 60 1HB ALA 60 -10.804 -2.001 -0.445 450 HB2 ALA 60 2HB ALA 60 -11.328 -3.416 0.470 451 HB3 ALA 60 3HB ALA 60 -10.937 -1.916 1.312 452 H ASP 61 H ASP 61 -9.833 -4.214 -1.533 453 HA ASP 61 HA ASP 61 -10.185 -6.824 -0.758 454 HB2 ASP 61 1HB ASP 61 -9.783 -5.424 -3.239 455 HB3 ASP 61 2HB ASP 61 -8.915 -6.957 -3.274 456 H ALA 62 H ALA 62 -7.243 -5.055 -0.961 457 HA ALA 62 HA ALA 62 -5.475 -7.288 -1.193 458 HB1 ALA 62 1HB ALA 62 -4.942 -4.485 -0.211 459 HB2 ALA 62 2HB ALA 62 -3.715 -5.686 -0.617 460 HB3 ALA 62 3HB ALA 62 -4.781 -5.057 -1.873 461 H ARG 63 H ARG 63 -6.912 -5.515 1.477 462 HA ARG 63 HA ARG 63 -5.287 -6.603 3.527 463 HB2 ARG 63 1HB ARG 63 -6.942 -4.558 3.527 464 HB3 ARG 63 2HB ARG 63 -8.114 -5.767 4.033 465 HG2 ARG 63 1HG ARG 63 -6.788 -6.305 5.973 466 HG3 ARG 63 2HG ARG 63 -5.513 -5.207 5.442 467 HD2 ARG 63 1HD ARG 63 -6.582 -3.816 6.886 468 HD3 ARG 63 2HD ARG 63 -7.538 -3.485 5.443 469 HE ARG 63 HE ARG 63 -8.390 -4.911 7.814 470 HH11 ARG 63 2HH1 ARG 63 -9.021 -4.159 4.474 471 HH12 ARG 63 1HH1 ARG 63 -10.708 -4.540 4.572 472 HH21 ARG 63 2HH2 ARG 63 -10.609 -5.415 7.956 473 HH22 ARG 63 1HH2 ARG 63 -11.610 -5.253 6.553 474 H LEU 64 H LEU 64 -8.650 -7.358 2.597 475 HA LEU 64 HA LEU 64 -9.032 -9.535 4.266 476 HB2 LEU 64 1HB LEU 64 -10.971 -9.863 3.152 477 HB3 LEU 64 2HB LEU 64 -10.588 -8.258 2.534 478 HG LEU 64 HG LEU 64 -9.458 -9.579 0.589 479 HD11 LEU 64 1HD1 LEU 64 -11.541 -11.606 0.920 480 HD12 LEU 64 2HD1 LEU 64 -10.219 -11.730 2.080 481 HD13 LEU 64 3HD1 LEU 64 -9.879 -11.763 0.350 482 HD21 LEU 64 1HD2 LEU 64 -11.354 -9.232 -0.689 483 HD22 LEU 64 2HD2 LEU 64 -11.618 -8.145 0.674 484 HD23 LEU 64 3HD2 LEU 64 -12.446 -9.702 0.614 485 H ARG 65 H ARG 65 -7.483 -9.376 1.110 486 HA ARG 65 HA ARG 65 -7.193 -12.222 0.866 487 HB2 ARG 65 1HB ARG 65 -6.337 -9.834 -0.692 488 HB3 ARG 65 2HB ARG 65 -5.431 -11.322 -0.925 489 HG2 ARG 65 1HG ARG 65 -8.138 -12.040 -1.036 490 HG3 ARG 65 2HG ARG 65 -7.978 -10.561 -1.984 491 HD2 ARG 65 1HD ARG 65 -6.495 -11.525 -3.478 492 HD3 ARG 65 2HD ARG 65 -6.007 -12.779 -2.338 493 HE ARG 65 HE ARG 65 -7.809 -14.056 -3.000 494 HH11 ARG 65 2HH1 ARG 65 -8.058 -10.851 -4.337 495 HH12 ARG 65 1HH1 ARG 65 -9.349 -11.261 -5.417 496 HH21 ARG 65 2HH2 ARG 65 -9.509 -14.607 -4.418 497 HH22 ARG 65 1HH2 ARG 65 -10.174 -13.397 -5.462 498 H LEU 66 H LEU 66 -5.560 -9.790 2.569 499 HA LEU 66 HA LEU 66 -3.323 -11.628 3.078 500 HB2 LEU 66 1HB LEU 66 -2.984 -8.646 2.995 501 HB3 LEU 66 2HB LEU 66 -1.734 -9.888 3.039 502 HG LEU 66 HG LEU 66 -3.576 -9.544 0.685 503 HD11 LEU 66 1HD1 LEU 66 -2.110 -7.491 1.391 504 HD12 LEU 66 2HD1 LEU 66 -2.196 -8.000 -0.295 505 HD13 LEU 66 3HD1 LEU 66 -0.806 -8.451 0.691 506 HD21 LEU 66 1HD2 LEU 66 -2.205 -11.004 -0.411 507 HD22 LEU 66 2HD2 LEU 66 -2.045 -11.625 1.232 508 HD23 LEU 66 3HD2 LEU 66 -0.793 -10.582 0.558 509 H HIS 67 H HIS 67 -2.144 -9.564 4.862 510 HA HIS 67 HA HIS 67 -2.371 -8.693 6.982 511 HB2 HIS 67 1HB HIS 67 -4.895 -8.470 6.216 512 HB3 HIS 67 2HB HIS 67 -5.117 -9.814 7.333 513 HD1 HIS 67 1HD HIS 67 -2.478 -7.797 8.649 514 HD2 HIS 67 2HD HIS 67 -6.625 -7.546 8.610 515 HE1 HIS 67 1HE HIS 67 -3.072 -6.205 10.503 516 H LYS 68 H LYS 68 -4.091 -10.128 8.986 517 HA LYS 68 HA LYS 68 -2.375 -11.693 10.290 518 HB2 LYS 68 1HB LYS 68 -5.324 -12.190 9.890 519 HB3 LYS 68 2HB LYS 68 -4.353 -13.111 11.032 520 HG2 LYS 68 1HG LYS 68 -4.518 -11.513 12.554 521 HG3 LYS 68 2HG LYS 68 -3.939 -10.294 11.416 522 HD2 LYS 68 1HD LYS 68 -6.154 -9.713 12.237 523 HD3 LYS 68 2HD LYS 68 -6.210 -10.076 10.510 524 HE2 LYS 68 1HE LYS 68 -8.096 -11.102 11.609 525 HE3 LYS 68 2HE LYS 68 -6.990 -12.356 11.051 526 HZ1 LYS 68 1HZ LYS 68 -7.095 -11.316 13.830 527 HZ2 LYS 68 2HZ LYS 68 -6.144 -12.597 13.272 528 HZ3 LYS 68 3HZ LYS 68 -7.828 -12.749 13.312 529 H THR 69 H THR 69 -4.075 -12.628 7.376 530 HA THR 69 HA THR 69 -3.946 -15.272 7.148 531 HB THR 69 HB THR 69 -3.260 -15.057 4.775 532 HG1 THR 69 1HG THR 69 -1.889 -13.453 4.476 533 HG21 THR 69 1HG2 THR 69 -5.000 -12.876 4.583 534 HG22 THR 69 2HG2 THR 69 -5.456 -13.707 6.071 535 HG23 THR 69 3HG2 THR 69 -5.427 -14.586 4.542 536 H GLU 70 H GLU 70 -2.517 -16.888 7.292 537 HA GLU 70 HA GLU 70 0.134 -16.407 8.167 538 HB2 GLU 70 1HB GLU 70 -1.566 -18.748 7.642 539 HB3 GLU 70 2HB GLU 70 0.151 -19.029 7.384 540 HG2 GLU 70 1HG GLU 70 0.683 -18.546 9.608 541 HG3 GLU 70 2HG GLU 70 -0.872 -17.770 9.904 542 H PHE 71 H PHE 71 1.238 -15.203 6.638 543 HA PHE 71 HA PHE 71 1.421 -16.078 3.900 544 HB2 PHE 71 1HB PHE 71 1.525 -13.735 4.178 545 HB3 PHE 71 2HB PHE 71 2.706 -13.858 5.478 546 HD1 PHE 71 1HD PHE 71 2.270 -14.469 1.841 547 HD2 PHE 71 2HD PHE 71 4.972 -13.646 5.025 548 HE1 PHE 71 1HE PHE 71 4.086 -14.147 0.213 549 HE2 PHE 71 2HE PHE 71 6.792 -13.322 3.402 550 HZ PHE 71 HZ PHE 71 6.350 -13.571 0.992 551 H LEU 72 H LEU 72 2.505 -17.914 3.533 552 HA LEU 72 HA LEU 72 4.232 -19.384 3.361 553 HB2 LEU 72 1HB LEU 72 5.526 -16.804 3.859 554 HB3 LEU 72 2HB LEU 72 6.500 -18.200 4.315 555 HG LEU 72 HG LEU 72 5.366 -18.541 1.679 556 HD11 LEU 72 1HD1 LEU 72 6.555 -15.925 2.333 557 HD12 LEU 72 2HD1 LEU 72 5.444 -16.381 1.042 558 HD13 LEU 72 3HD1 LEU 72 7.169 -16.715 0.882 559 HD21 LEU 72 1HD2 LEU 72 8.271 -18.192 2.199 560 HD22 LEU 72 2HD2 LEU 72 7.432 -19.393 1.218 561 HD23 LEU 72 3HD2 LEU 72 7.443 -19.542 2.975 562 H GLY 73 H GLY 73 2.812 -18.616 6.043 563 HA2 GLY 73 1HA GLY 73 2.830 -20.321 7.801 564 HA3 GLY 73 2HA GLY 73 4.584 -20.287 7.716 565 H LYS 74 H LYS 74 4.402 -17.268 7.436 566 HA LYS 74 HA LYS 74 4.162 -16.736 10.314 567 HB2 LYS 74 1HB LYS 74 5.617 -15.195 8.158 568 HB3 LYS 74 2HB LYS 74 5.569 -14.751 9.858 569 HG2 LYS 74 1HG LYS 74 6.445 -17.475 9.540 570 HG3 LYS 74 2HG LYS 74 7.441 -16.372 8.587 571 HD2 LYS 74 1HD LYS 74 8.559 -16.132 10.534 572 HD3 LYS 74 2HD LYS 74 7.265 -14.986 10.893 573 HE2 LYS 74 1HE LYS 74 6.223 -17.457 11.612 574 HE3 LYS 74 2HE LYS 74 7.902 -17.521 12.145 575 HZ1 LYS 74 1HZ LYS 74 6.960 -16.538 13.944 576 HZ2 LYS 74 2HZ LYS 74 5.729 -15.792 13.057 577 HZ3 LYS 74 3HZ LYS 74 7.291 -15.142 13.046 578 H GLU 75 H GLU 75 2.664 -15.380 11.086 579 HA GLU 75 HA GLU 75 0.594 -14.422 9.392 580 HB2 GLU 75 1HB GLU 75 0.054 -15.058 11.644 581 HB3 GLU 75 2HB GLU 75 1.217 -13.917 12.302 582 HG2 GLU 75 1HG GLU 75 -0.428 -12.312 10.803 583 HG3 GLU 75 2HG GLU 75 -1.538 -13.510 11.466 584 H MET 76 H MET 76 0.545 -12.625 8.228 585 HA MET 76 HA MET 76 2.509 -10.525 8.778 586 HB2 MET 76 1HB MET 76 2.425 -11.436 6.496 587 HB3 MET 76 2HB MET 76 0.738 -10.956 6.366 588 HG2 MET 76 1HG MET 76 1.298 -8.654 6.414 589 HG3 MET 76 2HG MET 76 2.963 -9.004 6.869 590 HE1 MET 76 1HE MET 76 0.352 -8.719 4.056 591 HE2 MET 76 2HE MET 76 1.099 -9.563 2.699 592 HE3 MET 76 3HE MET 76 0.520 -10.475 4.094 593 H LYS 77 H LYS 77 1.924 -8.340 8.950 594 HA LYS 77 HA LYS 77 -0.889 -7.907 9.709 595 HB2 LYS 77 1HB LYS 77 1.670 -7.053 10.894 596 HB3 LYS 77 2HB LYS 77 0.449 -5.790 10.795 597 HG2 LYS 77 1HG LYS 77 -1.100 -7.117 12.068 598 HG3 LYS 77 2HG LYS 77 0.015 -8.486 12.063 599 HD2 LYS 77 1HD LYS 77 1.070 -5.933 13.114 600 HD3 LYS 77 2HD LYS 77 -0.166 -6.732 14.090 601 HE2 LYS 77 1HE LYS 77 1.421 -8.060 14.901 602 HE3 LYS 77 2HE LYS 77 1.600 -8.753 13.290 603 HZ1 LYS 77 1HZ LYS 77 3.092 -6.426 14.375 604 HZ2 LYS 77 2HZ LYS 77 3.230 -7.010 12.794 605 HZ3 LYS 77 3HZ LYS 77 3.715 -7.975 14.096 606 H LEU 78 H LEU 78 -1.623 -5.597 9.431 607 HA LEU 78 HA LEU 78 -0.332 -4.068 7.352 608 HB2 LEU 78 1HB LEU 78 -2.650 -5.803 6.824 609 HB3 LEU 78 2HB LEU 78 -2.788 -4.154 6.217 610 HG LEU 78 HG LEU 78 -0.351 -5.764 5.579 611 HD11 LEU 78 1HD1 LEU 78 -1.412 -6.697 3.632 612 HD12 LEU 78 2HD1 LEU 78 -2.939 -5.916 4.042 613 HD13 LEU 78 3HD1 LEU 78 -2.300 -7.197 5.070 614 HD21 LEU 78 1HD2 LEU 78 -1.858 -3.477 4.348 615 HD22 LEU 78 2HD2 LEU 78 -0.664 -4.404 3.437 616 HD23 LEU 78 3HD2 LEU 78 -0.181 -3.531 4.893 617 H TYR 79 H TYR 79 -0.833 -1.945 7.480 618 HA TYR 79 HA TYR 79 -3.145 -1.167 9.123 619 HB2 TYR 79 1HB TYR 79 -0.331 -0.081 9.328 620 HB3 TYR 79 2HB TYR 79 -1.732 0.666 10.089 621 HD1 TYR 79 2HD TYR 79 0.347 -2.400 10.036 622 HD2 TYR 79 1HD TYR 79 -2.563 -0.130 12.152 623 HE1 TYR 79 2HE TYR 79 0.641 -3.860 11.993 624 HE2 TYR 79 1HE TYR 79 -2.277 -1.582 14.116 625 HH TYR 79 HH TYR 79 -1.286 -3.391 14.940 626 H PHE 80 H PHE 80 -4.332 0.475 8.338 627 HA PHE 80 HA PHE 80 -3.926 1.359 5.682 628 HB2 PHE 80 1HB PHE 80 -5.886 1.913 7.844 629 HB3 PHE 80 2HB PHE 80 -5.760 3.109 6.557 630 HD1 PHE 80 2HD PHE 80 -5.430 1.694 4.146 631 HD2 PHE 80 1HD PHE 80 -7.716 0.574 7.558 632 HE1 PHE 80 2HE PHE 80 -6.877 0.308 2.718 633 HE2 PHE 80 1HE PHE 80 -9.166 -0.815 6.135 634 HZ PHE 80 HZ PHE 80 -8.748 -0.948 3.712 635 H ALA 81 H ALA 81 -2.458 2.778 5.035 636 HA ALA 81 HA ALA 81 -1.015 4.485 6.739 637 HB1 ALA 81 1HB ALA 81 -0.235 3.653 4.526 638 HB2 ALA 81 2HB ALA 81 -1.347 4.789 3.759 639 HB3 ALA 81 3HB ALA 81 -0.021 5.390 4.756 640 H GLN 82 H GLN 82 -3.727 5.122 4.540 641 HA GLN 82 HA GLN 82 -3.862 7.883 4.816 642 HB2 GLN 82 1HB GLN 82 -5.671 5.745 3.946 643 HB3 GLN 82 2HB GLN 82 -6.500 7.155 4.592 644 HG2 GLN 82 1HG GLN 82 -4.370 7.866 2.754 645 HG3 GLN 82 2HG GLN 82 -5.590 6.830 2.016 646 HE21 GLN 82 2HE2 GLN 82 -7.052 7.964 0.982 647 HE22 GLN 82 1HE2 GLN 82 -7.711 9.482 1.478 648 H THR 83 H THR 83 -5.568 9.129 5.971 649 HA THR 83 HA THR 83 -6.024 9.947 8.098 650 HB THR 83 HB THR 83 -8.180 9.263 7.568 651 HG1 THR 83 1HG THR 83 -8.957 8.242 9.501 652 HG21 THR 83 1HG2 THR 83 -8.831 6.784 7.752 653 HG22 THR 83 2HG2 THR 83 -7.097 6.463 7.713 654 HG23 THR 83 3HG2 THR 83 -7.874 7.279 6.356 655 H LEU 84 H LEU 84 -3.856 9.500 8.963 656 HA LEU 84 HA LEU 84 -2.823 7.347 10.158 657 HB2 LEU 84 1HB LEU 84 -1.730 8.763 11.760 658 HB3 LEU 84 2HB LEU 84 -1.827 9.598 10.212 659 HG LEU 84 HG LEU 84 -3.701 10.115 12.517 660 HD11 LEU 84 1HD1 LEU 84 -2.065 11.239 13.502 661 HD12 LEU 84 2HD1 LEU 84 -2.020 12.316 12.107 662 HD13 LEU 84 3HD1 LEU 84 -0.964 10.905 12.165 663 HD21 LEU 84 1HD2 LEU 84 -3.167 11.535 9.914 664 HD22 LEU 84 2HD2 LEU 84 -4.118 12.214 11.235 665 HD23 LEU 84 3HD2 LEU 84 -4.661 10.747 10.420 666 H HIS 85 H HIS 85 -5.343 9.376 11.618 667 HA HIS 85 HA HIS 85 -7.006 8.819 13.092 668 HB2 HIS 85 1HB HIS 85 -6.461 6.397 12.001 669 HB3 HIS 85 2HB HIS 85 -6.015 6.095 13.678 670 HD1 HIS 85 1HD HIS 85 -8.064 7.094 15.390 671 HD2 HIS 85 2HD HIS 85 -9.044 5.782 11.573 672 HE1 HIS 85 1HE HIS 85 -10.527 6.594 15.464 673 H ILE 86 H ILE 86 -3.839 7.425 13.895 674 HA ILE 86 HA ILE 86 -3.797 7.201 16.546 675 HB ILE 86 HB ILE 86 -1.729 6.903 15.497 676 HG12 ILE 86 1HG1 ILE 86 -0.954 9.486 16.713 677 HG13 ILE 86 2HG1 ILE 86 -1.877 8.402 17.747 678 HG21 ILE 86 1HG2 ILE 86 -0.958 9.540 14.692 679 HG22 ILE 86 2HG2 ILE 86 -1.095 8.074 13.723 680 HG23 ILE 86 3HG2 ILE 86 -2.499 9.116 13.948 681 HD11 ILE 86 1HD1 ILE 86 0.871 8.156 16.706 682 HD12 ILE 86 2HD1 ILE 86 0.188 7.656 18.255 683 HD13 ILE 86 3HD1 ILE 86 -0.073 6.671 16.816 684 H GLY 87 H GLY 87 -3.765 10.313 14.849 685 HA2 GLY 87 1HA GLY 87 -5.287 11.872 16.325 686 HA3 GLY 87 2HA GLY 87 -3.908 11.729 17.407 687 H SER 88 H SER 88 -2.188 13.028 17.112 688 HA SER 88 HA SER 88 -0.848 14.655 16.252 689 HB2 SER 88 1HB SER 88 -1.799 13.211 13.894 690 HB3 SER 88 2HB SER 88 -1.414 14.898 13.553 691 HG SER 88 HG SER 88 0.272 12.901 14.636 692 H SER 89 H SER 89 -3.641 14.964 14.069 693 HA SER 89 HA SER 89 -5.106 16.663 13.696 694 HB2 SER 89 1HB SER 89 -4.532 16.922 16.613 695 HB3 SER 89 2HB SER 89 -5.383 18.246 15.818 696 HG SER 89 HG SER 89 -6.227 15.590 15.436 697 H HIS 90 H HIS 90 -3.403 17.401 12.196 698 HA HIS 90 HA HIS 90 -2.979 20.173 12.418 699 HB2 HIS 90 1HB HIS 90 -1.065 18.705 13.818 700 HB3 HIS 90 2HB HIS 90 -0.276 19.111 12.297 701 HD1 HIS 90 1HD HIS 90 0.225 20.307 15.289 702 HD2 HIS 90 2HD HIS 90 -1.599 22.175 12.057 703 HE1 HIS 90 1HE HIS 90 0.458 22.775 15.719 704 H LEU 91 H LEU 91 -3.231 20.762 10.375 705 HA LEU 91 HA LEU 91 -1.672 19.436 8.294 706 HB2 LEU 91 1HB LEU 91 -4.447 19.000 8.679 707 HB3 LEU 91 2HB LEU 91 -4.254 19.968 7.218 708 HG LEU 91 HG LEU 91 -2.554 17.548 7.499 709 HD11 LEU 91 1HD1 LEU 91 -5.159 17.003 6.296 710 HD12 LEU 91 2HD1 LEU 91 -5.218 17.270 8.037 711 HD13 LEU 91 3HD1 LEU 91 -4.173 16.014 7.372 712 HD21 LEU 91 1HD2 LEU 91 -2.846 19.370 5.557 713 HD22 LEU 91 2HD2 LEU 91 -4.086 18.217 5.061 714 HD23 LEU 91 3HD2 LEU 91 -2.414 17.688 5.245 715 H ALA 92 H ALA 92 -4.094 21.974 8.914 716 HA ALA 92 HA ALA 92 -2.411 24.074 8.077 717 HB1 ALA 92 1HB ALA 92 -3.812 22.696 5.964 718 HB2 ALA 92 2HB ALA 92 -4.297 24.391 6.054 719 HB3 ALA 92 3HB ALA 92 -2.595 23.970 5.864 720 HA PRO 93 HA PRO 93 -5.474 26.490 10.083 721 HB2 PRO 93 1HB PRO 93 -5.344 28.848 8.743 722 HB3 PRO 93 2HB PRO 93 -4.076 28.298 9.845 723 HG2 PRO 93 1HG PRO 93 -4.183 28.153 6.856 724 HG3 PRO 93 2HG PRO 93 -2.827 28.601 7.907 725 HD2 PRO 93 1HD PRO 93 -3.056 26.144 6.791 726 HD3 PRO 93 2HD PRO 93 -2.303 26.406 8.377 727 HA PRO 94 HA PRO 94 -9.306 26.189 7.926 728 HB2 PRO 94 1HB PRO 94 -10.797 27.918 9.395 729 HB3 PRO 94 2HB PRO 94 -10.314 26.324 9.986 730 HG2 PRO 94 1HG PRO 94 -9.100 29.001 10.551 731 HG3 PRO 94 2HG PRO 94 -9.431 27.664 11.668 732 HD2 PRO 94 1HD PRO 94 -6.964 28.145 10.662 733 HD3 PRO 94 2HD PRO 94 -7.536 26.509 11.045 734 H ASN 95 H ASN 95 -11.201 27.994 7.418 735 HA ASN 95 HA ASN 95 -11.776 29.515 5.814 736 HB2 ASN 95 1HB ASN 95 -10.140 30.837 7.827 737 HB3 ASN 95 2HB ASN 95 -10.064 31.663 6.272 738 HD21 ASN 95 2HD2 ASN 95 -11.123 33.147 8.074 739 HD22 ASN 95 1HD2 ASN 95 -12.848 33.201 7.997 740 HA PRO 96 HA PRO 96 -8.263 28.410 3.019 741 HB2 PRO 96 1HB PRO 96 -9.853 27.405 1.062 742 HB3 PRO 96 2HB PRO 96 -9.297 26.443 2.437 743 HG2 PRO 96 1HG PRO 96 -11.933 27.801 2.014 744 HG3 PRO 96 2HG PRO 96 -11.598 26.185 2.663 745 HD2 PRO 96 1HD PRO 96 -12.171 28.301 4.251 746 HD3 PRO 96 2HD PRO 96 -11.082 26.994 4.759 747 H ASP 97 H ASP 97 -8.278 28.867 0.493 748 HA ASP 97 HA ASP 97 -9.363 31.585 0.155 749 HB2 ASP 97 1HB ASP 97 -6.787 30.315 -0.645 750 HB3 ASP 97 2HB ASP 97 -7.459 31.552 -1.704 751 H LYS 98 H LYS 98 -9.770 32.203 -2.154 752 HA LYS 98 HA LYS 98 -10.896 29.923 -3.643 753 HB2 LYS 98 1HB LYS 98 -12.486 31.658 -2.515 754 HB3 LYS 98 2HB LYS 98 -12.013 32.700 -3.851 755 HG2 LYS 98 1HG LYS 98 -12.788 30.055 -4.751 756 HG3 LYS 98 2HG LYS 98 -14.071 30.863 -3.847 757 HD2 LYS 98 1HD LYS 98 -13.491 32.903 -5.347 758 HD3 LYS 98 2HD LYS 98 -12.725 31.700 -6.388 759 HE2 LYS 98 1HE LYS 98 -14.931 31.967 -7.196 760 HE3 LYS 98 2HE LYS 98 -14.910 30.436 -6.324 761 HZ1 LYS 98 1HZ LYS 98 -16.373 32.853 -5.759 762 HZ2 LYS 98 2HZ LYS 98 -15.611 32.189 -4.403 763 HZ3 LYS 98 3HZ LYS 98 -16.701 31.257 -5.300 764 H SER 99 H SER 99 -11.053 30.232 -5.980 765 HA SER 99 HA SER 99 -9.380 32.294 -7.154 766 HB2 SER 99 1HB SER 99 -7.836 30.815 -8.226 767 HB3 SER 99 2HB SER 99 -7.854 30.374 -6.518 768 HG SER 99 HG SER 99 -7.989 28.550 -7.919 769 H GLY 100 H GLY 100 -9.447 32.229 -9.552 770 HA2 GLY 100 1HA GLY 100 -11.487 30.614 -10.800 771 HA3 GLY 100 2HA GLY 100 -11.946 32.298 -10.603 772 HA PRO 101 HA PRO 101 -8.876 31.455 -14.251 773 HB2 PRO 101 1HB PRO 101 -10.501 30.494 -16.201 774 HB3 PRO 101 2HB PRO 101 -9.607 29.446 -15.092 775 HG2 PRO 101 1HG PRO 101 -12.475 30.301 -14.994 776 HG3 PRO 101 2HG PRO 101 -11.774 28.699 -14.699 777 HD2 PRO 101 1HD PRO 101 -12.505 30.362 -12.691 778 HD3 PRO 101 2HD PRO 101 -11.142 29.233 -12.548 779 H SER 102 H SER 102 -9.384 32.264 -16.672 780 HA SER 102 HA SER 102 -11.434 34.163 -17.041 781 HB2 SER 102 1HB SER 102 -9.947 35.282 -15.267 782 HB3 SER 102 2HB SER 102 -8.763 35.473 -16.560 783 HG SER 102 HG SER 102 -11.005 36.902 -16.064 784 H SER 103 H SER 103 -11.077 35.495 -19.011 785 HA SER 103 HA SER 103 -8.896 34.896 -20.752 786 HB2 SER 103 1HB SER 103 -10.115 33.644 -22.453 787 HB3 SER 103 2HB SER 103 -10.167 32.771 -20.921 788 HG SER 103 HG SER 103 -12.218 34.380 -22.045 789 H GLY 104 H GLY 104 -9.548 35.646 -23.104 790 HA2 GLY 104 1HA GLY 104 -10.157 37.411 -24.439 791 HA3 GLY 104 2HA GLY 104 -11.624 37.496 -23.474 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 8.257 16.229 -4.518 2 HA2 GLY 1 1HA GLY 1 5.583 16.913 -5.329 3 HA3 GLY 1 2HA GLY 1 6.196 15.479 -6.140 4 H SER 2 H SER 2 4.482 16.556 -3.527 5 HA SER 2 HA SER 2 5.317 14.484 -1.675 6 HB2 SER 2 1HB SER 2 4.721 16.589 -0.683 7 HB3 SER 2 2HB SER 2 3.174 16.612 -1.529 8 HG SER 2 HG SER 2 3.708 15.588 0.846 9 H SER 3 H SER 3 4.578 12.483 -1.813 10 HA SER 3 HA SER 3 1.949 12.029 -3.062 11 HB2 SER 3 1HB SER 3 4.504 10.484 -3.078 12 HB3 SER 3 2HB SER 3 2.989 9.587 -3.172 13 HG SER 3 HG SER 3 3.976 11.557 -4.946 14 H GLY 4 H GLY 4 0.528 10.494 -2.139 15 HA2 GLY 4 1HA GLY 4 0.850 8.876 0.027 16 HA3 GLY 4 2HA GLY 4 0.601 10.463 0.738 17 H SER 5 H SER 5 -0.882 7.719 -0.595 18 HA SER 5 HA SER 5 -3.448 8.378 0.237 19 HB2 SER 5 1HB SER 5 -3.546 10.075 -1.462 20 HB3 SER 5 2HB SER 5 -2.941 8.960 -2.688 21 HG SER 5 HG SER 5 -5.390 8.634 -1.291 22 H SER 6 H SER 6 -5.010 6.755 -0.271 23 HA SER 6 HA SER 6 -5.481 4.502 -0.314 24 HB2 SER 6 1HB SER 6 -5.146 3.581 -2.692 25 HB3 SER 6 2HB SER 6 -6.167 5.008 -2.514 26 HG SER 6 HG SER 6 -3.888 4.718 -3.914 27 H GLY 7 H GLY 7 -3.117 4.802 1.014 28 HA2 GLY 7 1HA GLY 7 -1.338 2.749 -0.129 29 HA3 GLY 7 2HA GLY 7 -0.862 3.945 1.067 30 H LEU 8 H LEU 8 -0.161 1.440 1.608 31 HA LEU 8 HA LEU 8 -1.754 0.837 3.954 32 HB2 LEU 8 1HB LEU 8 -1.368 -1.107 1.694 33 HB3 LEU 8 2HB LEU 8 -1.758 -1.622 3.334 34 HG LEU 8 HG LEU 8 -3.507 0.280 1.796 35 HD11 LEU 8 1HD1 LEU 8 -2.988 -2.258 0.933 36 HD12 LEU 8 2HD1 LEU 8 -4.477 -1.362 0.627 37 HD13 LEU 8 3HD1 LEU 8 -4.392 -2.500 1.972 38 HD21 LEU 8 1HD2 LEU 8 -4.423 -1.646 3.875 39 HD22 LEU 8 2HD2 LEU 8 -5.060 -0.058 3.445 40 HD23 LEU 8 3HD2 LEU 8 -3.571 -0.187 4.382 41 H ILE 9 H ILE 9 -0.519 0.159 5.608 42 HA ILE 9 HA ILE 9 2.330 -0.269 5.065 43 HB ILE 9 HB ILE 9 1.000 0.212 7.733 44 HG12 ILE 9 1HG1 ILE 9 0.815 2.074 5.963 45 HG13 ILE 9 2HG1 ILE 9 1.475 2.505 7.537 46 HG21 ILE 9 1HG2 ILE 9 3.032 -0.696 8.274 47 HG22 ILE 9 2HG2 ILE 9 3.814 -0.094 6.814 48 HG23 ILE 9 3HG2 ILE 9 3.470 1.008 8.147 49 HD11 ILE 9 1HD1 ILE 9 3.684 2.557 6.687 50 HD12 ILE 9 2HD1 ILE 9 3.182 1.824 5.162 51 HD13 ILE 9 3HD1 ILE 9 2.672 3.464 5.563 52 H ALA 10 H ALA 10 2.528 -2.401 4.545 53 HA ALA 10 HA ALA 10 1.264 -4.431 6.200 54 HB1 ALA 10 1HB ALA 10 2.241 -4.293 3.512 55 HB2 ALA 10 2HB ALA 10 2.993 -5.650 4.351 56 HB3 ALA 10 3HB ALA 10 1.236 -5.527 4.272 57 H CYS 11 H CYS 11 2.214 -5.097 8.002 58 HA CYS 11 HA CYS 11 5.103 -4.802 8.310 59 HB2 CYS 11 1HB CYS 11 2.956 -4.406 10.043 60 HB3 CYS 11 2HB CYS 11 3.703 -5.896 10.610 61 HG CYS 11 HG CYS 11 5.795 -3.323 9.994 62 H VAL 12 H VAL 12 6.201 -6.470 7.475 63 HA VAL 12 HA VAL 12 5.157 -9.180 7.699 64 HB VAL 12 HB VAL 12 7.839 -8.784 6.540 65 HG11 VAL 12 1HG1 VAL 12 5.347 -10.150 5.529 66 HG12 VAL 12 2HG1 VAL 12 6.969 -10.301 4.853 67 HG13 VAL 12 3HG1 VAL 12 6.625 -10.919 6.470 68 HG21 VAL 12 1HG2 VAL 12 5.388 -7.505 5.354 69 HG22 VAL 12 2HG2 VAL 12 6.944 -6.754 5.712 70 HG23 VAL 12 3HG2 VAL 12 6.810 -7.922 4.398 71 H ALA 13 H ALA 13 6.372 -10.910 8.603 72 HA ALA 13 HA ALA 13 8.207 -10.039 10.735 73 HB1 ALA 13 1HB ALA 13 6.053 -11.104 11.429 74 HB2 ALA 13 2HB ALA 13 6.613 -12.593 10.665 75 HB3 ALA 13 3HB ALA 13 7.501 -11.914 12.028 76 H ASN 14 H ASN 14 7.975 -11.820 7.847 77 HA ASN 14 HA ASN 14 10.174 -13.610 8.419 78 HB2 ASN 14 1HB ASN 14 8.077 -13.538 6.537 79 HB3 ASN 14 2HB ASN 14 9.568 -13.400 5.610 80 HD21 ASN 14 2HD2 ASN 14 7.705 -15.590 5.671 81 HD22 ASN 14 1HD2 ASN 14 8.581 -16.976 6.216 82 H ASP 15 H ASP 15 12.096 -12.629 8.657 83 HA ASP 15 HA ASP 15 12.921 -10.261 7.419 84 HB2 ASP 15 1HB ASP 15 15.166 -10.834 8.170 85 HB3 ASP 15 2HB ASP 15 13.996 -11.221 9.429 86 H ASP 16 H ASP 16 12.501 -13.329 6.097 87 HA ASP 16 HA ASP 16 14.579 -13.260 4.134 88 HB2 ASP 16 1HB ASP 16 12.011 -14.860 4.187 89 HB3 ASP 16 2HB ASP 16 13.373 -15.143 3.106 90 H VAL 17 H VAL 17 11.320 -12.052 4.342 91 HA VAL 17 HA VAL 17 10.790 -11.676 1.609 92 HB VAL 17 HB VAL 17 9.782 -10.239 4.057 93 HG11 VAL 17 1HG1 VAL 17 8.950 -9.840 1.186 94 HG12 VAL 17 2HG1 VAL 17 8.060 -9.238 2.586 95 HG13 VAL 17 3HG1 VAL 17 9.687 -8.644 2.251 96 HG21 VAL 17 1HG2 VAL 17 8.801 -12.446 2.301 97 HG22 VAL 17 2HG2 VAL 17 8.839 -12.345 4.061 98 HG23 VAL 17 3HG2 VAL 17 7.640 -11.427 3.151 99 H PHE 18 H PHE 18 13.013 -10.136 3.662 100 HA PHE 18 HA PHE 18 13.148 -7.740 1.982 101 HB2 PHE 18 1HB PHE 18 14.591 -8.373 4.565 102 HB3 PHE 18 2HB PHE 18 14.634 -6.835 3.709 103 HD1 PHE 18 2HD PHE 18 12.387 -9.177 5.490 104 HD2 PHE 18 1HD PHE 18 12.995 -5.208 4.077 105 HE1 PHE 18 2HE PHE 18 10.409 -8.429 6.749 106 HE2 PHE 18 1HE PHE 18 11.018 -4.455 5.333 107 HZ PHE 18 HZ PHE 18 9.722 -6.065 6.670 108 H SER 19 H SER 19 13.986 -10.317 0.975 109 HA SER 19 HA SER 19 16.854 -9.767 0.573 110 HB2 SER 19 1HB SER 19 16.062 -11.946 1.846 111 HB3 SER 19 2HB SER 19 15.764 -12.529 0.208 112 HG SER 19 HG SER 19 17.976 -11.944 -0.250 113 H GLU 20 H GLU 20 17.712 -10.299 -1.515 114 HA GLU 20 HA GLU 20 15.848 -9.698 -3.634 115 HB2 GLU 20 1HB GLU 20 17.822 -9.587 -5.066 116 HB3 GLU 20 2HB GLU 20 18.067 -8.654 -3.598 117 HG2 GLU 20 1HG GLU 20 19.115 -10.985 -2.809 118 HG3 GLU 20 2HG GLU 20 19.420 -11.097 -4.541 119 H SER 21 H SER 21 16.935 -12.497 -2.154 120 HA SER 21 HA SER 21 17.436 -14.371 -4.043 121 HB2 SER 21 1HB SER 21 15.858 -14.483 -1.499 122 HB3 SER 21 2HB SER 21 15.910 -15.905 -2.541 123 HG SER 21 HG SER 21 18.352 -15.286 -2.444 124 H GLU 22 H GLU 22 14.105 -14.004 -2.837 125 HA GLU 22 HA GLU 22 12.888 -13.566 -5.319 126 HB2 GLU 22 1HB GLU 22 13.790 -16.203 -5.062 127 HB3 GLU 22 2HB GLU 22 12.063 -16.281 -4.737 128 HG2 GLU 22 1HG GLU 22 11.539 -15.957 -6.873 129 HG3 GLU 22 2HG GLU 22 12.693 -14.636 -7.047 130 H THR 23 H THR 23 12.706 -14.870 -2.087 131 HA THR 23 HA THR 23 10.068 -15.173 -1.572 132 HB THR 23 HB THR 23 11.745 -13.533 0.313 133 HG1 THR 23 1HG THR 23 13.146 -15.117 0.249 134 HG21 THR 23 1HG2 THR 23 10.369 -14.308 1.962 135 HG22 THR 23 2HG2 THR 23 10.059 -15.836 1.136 136 HG23 THR 23 3HG2 THR 23 9.235 -14.367 0.613 137 H ARG 24 H ARG 24 11.779 -12.058 -1.643 138 HA ARG 24 HA ARG 24 9.761 -10.353 -0.905 139 HB2 ARG 24 1HB ARG 24 11.993 -9.536 -1.309 140 HB3 ARG 24 2HB ARG 24 11.889 -9.962 -3.013 141 HG2 ARG 24 1HG ARG 24 10.443 -8.205 -3.493 142 HG3 ARG 24 2HG ARG 24 9.985 -7.996 -1.802 143 HD2 ARG 24 1HD ARG 24 11.414 -6.192 -2.289 144 HD3 ARG 24 2HD ARG 24 12.400 -7.338 -1.382 145 HE ARG 24 HE ARG 24 13.739 -7.554 -3.217 146 HH11 ARG 24 2HH1 ARG 24 10.675 -6.239 -4.219 147 HH12 ARG 24 1HH1 ARG 24 11.179 -5.970 -5.855 148 HH21 ARG 24 2HH2 ARG 24 14.413 -7.204 -5.367 149 HH22 ARG 24 1HH2 ARG 24 13.305 -6.520 -6.508 150 H ALA 25 H ALA 25 10.380 -11.680 -4.137 151 HA ALA 25 HA ALA 25 8.384 -10.306 -5.524 152 HB1 ALA 25 1HB ALA 25 9.616 -11.363 -7.069 153 HB2 ALA 25 2HB ALA 25 10.027 -12.687 -5.978 154 HB3 ALA 25 3HB ALA 25 8.483 -12.694 -6.829 155 H LYS 26 H LYS 26 8.240 -13.277 -3.631 156 HA LYS 26 HA LYS 26 5.657 -14.095 -4.358 157 HB2 LYS 26 1HB LYS 26 7.246 -14.524 -1.827 158 HB3 LYS 26 2HB LYS 26 5.691 -15.292 -2.130 159 HG2 LYS 26 1HG LYS 26 6.539 -16.587 -3.879 160 HG3 LYS 26 2HG LYS 26 7.979 -15.580 -4.045 161 HD2 LYS 26 1HD LYS 26 8.301 -16.373 -1.510 162 HD3 LYS 26 2HD LYS 26 7.385 -17.753 -2.122 163 HE2 LYS 26 1HE LYS 26 9.055 -18.412 -3.527 164 HE3 LYS 26 2HE LYS 26 9.649 -16.770 -3.769 165 HZ1 LYS 26 1HZ LYS 26 10.768 -18.671 -2.161 166 HZ2 LYS 26 2HZ LYS 26 9.977 -17.648 -1.071 167 HZ3 LYS 26 3HZ LYS 26 11.122 -17.016 -2.143 168 H PHE 27 H PHE 27 6.790 -11.734 -2.037 169 HA PHE 27 HA PHE 27 4.256 -11.396 -0.744 170 HB2 PHE 27 1HB PHE 27 6.198 -10.845 0.529 171 HB3 PHE 27 2HB PHE 27 6.800 -9.772 -0.732 172 HD1 PHE 27 2HD PHE 27 5.532 -7.646 -1.208 173 HD2 PHE 27 1HD PHE 27 4.797 -10.054 2.224 174 HE1 PHE 27 2HE PHE 27 4.429 -5.739 -0.110 175 HE2 PHE 27 1HE PHE 27 3.693 -8.152 3.326 176 HZ PHE 27 HZ PHE 27 3.509 -5.991 2.160 177 H GLU 28 H GLU 28 6.061 -9.642 -3.237 178 HA GLU 28 HA GLU 28 4.233 -7.514 -3.529 179 HB2 GLU 28 1HB GLU 28 6.548 -8.571 -5.007 180 HB3 GLU 28 2HB GLU 28 5.376 -7.716 -5.999 181 HG2 GLU 28 1HG GLU 28 5.685 -5.714 -4.859 182 HG3 GLU 28 2HG GLU 28 6.420 -6.510 -3.469 183 H SER 29 H SER 29 4.736 -10.351 -5.634 184 HA SER 29 HA SER 29 2.815 -10.111 -7.475 185 HB2 SER 29 1HB SER 29 4.306 -12.122 -7.092 186 HB3 SER 29 2HB SER 29 3.114 -12.688 -5.921 187 HG SER 29 HG SER 29 2.404 -12.015 -8.574 188 H LEU 30 H LEU 30 2.253 -10.804 -4.083 189 HA LEU 30 HA LEU 30 -0.428 -11.556 -4.178 190 HB2 LEU 30 1HB LEU 30 1.069 -10.010 -2.069 191 HB3 LEU 30 2HB LEU 30 -0.542 -10.689 -1.846 192 HG LEU 30 HG LEU 30 1.896 -12.347 -2.472 193 HD11 LEU 30 1HD1 LEU 30 0.846 -12.612 0.206 194 HD12 LEU 30 2HD1 LEU 30 1.405 -10.970 -0.109 195 HD13 LEU 30 3HD1 LEU 30 2.502 -12.333 -0.335 196 HD21 LEU 30 1HD2 LEU 30 -0.476 -13.177 -2.971 197 HD22 LEU 30 2HD2 LEU 30 -0.681 -13.238 -1.220 198 HD23 LEU 30 3HD2 LEU 30 0.570 -14.210 -1.996 199 H PHE 31 H PHE 31 0.912 -8.302 -3.590 200 HA PHE 31 HA PHE 31 -1.670 -7.068 -3.843 201 HB2 PHE 31 1HB PHE 31 1.041 -5.729 -3.834 202 HB3 PHE 31 2HB PHE 31 -0.513 -4.980 -3.480 203 HD1 PHE 31 2HD PHE 31 2.010 -7.367 -2.247 204 HD2 PHE 31 1HD PHE 31 -1.478 -5.109 -1.325 205 HE1 PHE 31 2HE PHE 31 2.312 -7.882 0.140 206 HE2 PHE 31 1HE PHE 31 -1.182 -5.621 1.063 207 HZ PHE 31 HZ PHE 31 0.714 -7.009 1.798 208 H ARG 32 H ARG 32 1.328 -6.981 -5.768 209 HA ARG 32 HA ARG 32 0.637 -5.370 -7.831 210 HB2 ARG 32 1HB ARG 32 2.663 -7.152 -7.385 211 HB3 ARG 32 2HB ARG 32 1.848 -7.882 -8.762 212 HG2 ARG 32 1HG ARG 32 2.729 -5.009 -8.705 213 HG3 ARG 32 2HG ARG 32 3.736 -6.326 -9.312 214 HD2 ARG 32 1HD ARG 32 1.747 -6.897 -10.821 215 HD3 ARG 32 2HD ARG 32 1.131 -5.300 -10.395 216 HE ARG 32 HE ARG 32 2.610 -4.426 -11.885 217 HH11 ARG 32 2HH1 ARG 32 3.817 -7.517 -10.830 218 HH12 ARG 32 1HH1 ARG 32 5.193 -7.485 -11.883 219 HH21 ARG 32 2HH2 ARG 32 4.417 -4.373 -13.275 220 HH22 ARG 32 1HH2 ARG 32 5.533 -5.696 -13.273 221 H THR 33 H THR 33 -0.293 -8.772 -7.478 222 HA THR 33 HA THR 33 -1.503 -9.300 -9.860 223 HB THR 33 HB THR 33 -2.293 -10.105 -7.072 224 HG1 THR 33 1HG THR 33 -1.351 -11.675 -9.250 225 HG21 THR 33 1HG2 THR 33 -3.578 -11.896 -8.694 226 HG22 THR 33 2HG2 THR 33 -3.858 -10.371 -9.535 227 HG23 THR 33 3HG2 THR 33 -4.352 -10.555 -7.852 228 H TYR 34 H TYR 34 -2.915 -7.524 -7.135 229 HA TYR 34 HA TYR 34 -5.458 -7.146 -8.321 230 HB2 TYR 34 1HB TYR 34 -4.147 -5.392 -6.239 231 HB3 TYR 34 2HB TYR 34 -5.870 -5.567 -6.549 232 HD1 TYR 34 2HD TYR 34 -6.496 -8.288 -6.558 233 HD2 TYR 34 1HD TYR 34 -3.500 -6.342 -4.248 234 HE1 TYR 34 2HE TYR 34 -6.617 -10.092 -4.891 235 HE2 TYR 34 1HE TYR 34 -3.612 -8.141 -2.575 236 HH TYR 34 HH TYR 34 -4.296 -10.496 -2.448 237 H ASP 35 H ASP 35 -3.100 -4.579 -7.600 238 HA ASP 35 HA ASP 35 -3.964 -3.217 -10.059 239 HB2 ASP 35 1HB ASP 35 -4.201 -2.108 -7.744 240 HB3 ASP 35 2HB ASP 35 -2.451 -1.918 -7.804 241 H LYS 36 H LYS 36 -2.505 -2.569 -11.580 242 HA LYS 36 HA LYS 36 0.130 -3.793 -11.427 243 HB2 LYS 36 1HB LYS 36 -1.344 -2.417 -13.677 244 HB3 LYS 36 2HB LYS 36 0.286 -3.059 -13.828 245 HG2 LYS 36 1HG LYS 36 -1.224 -5.154 -12.779 246 HG3 LYS 36 2HG LYS 36 -2.245 -4.414 -14.014 247 HD2 LYS 36 1HD LYS 36 0.064 -4.470 -15.358 248 HD3 LYS 36 2HD LYS 36 0.341 -5.841 -14.280 249 HE2 LYS 36 1HE LYS 36 -2.306 -5.741 -15.575 250 HE3 LYS 36 2HE LYS 36 -0.938 -6.010 -16.655 251 HZ1 LYS 36 1HZ LYS 36 -2.104 -8.013 -15.547 252 HZ2 LYS 36 2HZ LYS 36 -1.184 -7.597 -14.189 253 HZ3 LYS 36 3HZ LYS 36 -0.415 -7.992 -15.644 254 H ASP 37 H ASP 37 -1.292 -0.773 -10.872 255 HA ASP 37 HA ASP 37 1.234 0.655 -11.326 256 HB2 ASP 37 1HB ASP 37 -1.628 1.506 -11.155 257 HB3 ASP 37 2HB ASP 37 -0.371 2.663 -10.726 258 H THR 38 H THR 38 0.677 -1.191 -9.077 259 HA THR 38 HA THR 38 0.468 0.529 -6.753 260 HB THR 38 HB THR 38 1.222 -1.910 -5.766 261 HG1 THR 38 1HG THR 38 -0.503 -2.514 -7.933 262 HG21 THR 38 1HG2 THR 38 -0.655 -0.786 -4.884 263 HG22 THR 38 2HG2 THR 38 -1.290 -2.295 -5.541 264 HG23 THR 38 3HG2 THR 38 -1.488 -0.790 -6.437 265 H THR 39 H THR 39 2.097 1.126 -5.409 266 HA THR 39 HA THR 39 4.828 0.506 -6.312 267 HB THR 39 HB THR 39 5.566 2.555 -5.354 268 HG1 THR 39 1HG THR 39 4.290 2.500 -3.444 269 HG21 THR 39 1HG2 THR 39 3.015 3.631 -6.358 270 HG22 THR 39 2HG2 THR 39 3.826 2.492 -7.434 271 HG23 THR 39 3HG2 THR 39 4.666 3.944 -6.890 272 H PHE 40 H PHE 40 6.227 -0.513 -5.003 273 HA PHE 40 HA PHE 40 5.319 -1.130 -2.270 274 HB2 PHE 40 1HB PHE 40 7.221 -2.689 -4.034 275 HB3 PHE 40 2HB PHE 40 6.711 -3.150 -2.414 276 HD1 PHE 40 2HD PHE 40 5.334 -2.377 -5.784 277 HD2 PHE 40 1HD PHE 40 4.886 -4.538 -2.144 278 HE1 PHE 40 2HE PHE 40 3.410 -3.579 -6.737 279 HE2 PHE 40 1HE PHE 40 2.962 -5.743 -3.092 280 HZ PHE 40 HZ PHE 40 2.221 -5.264 -5.392 281 H GLN 41 H GLN 41 6.425 -0.265 -0.652 282 HA GLN 41 HA GLN 41 9.206 0.575 -1.142 283 HB2 GLN 41 1HB GLN 41 7.045 2.200 -0.495 284 HB3 GLN 41 2HB GLN 41 7.890 1.987 1.032 285 HG2 GLN 41 1HG GLN 41 9.611 3.261 0.402 286 HG3 GLN 41 2HG GLN 41 9.646 2.582 -1.225 287 HE21 GLN 41 2HE2 GLN 41 9.159 5.330 0.479 288 HE22 GLN 41 1HE2 GLN 41 8.186 6.209 -0.645 289 H TYR 42 H TYR 42 10.476 -0.855 -0.148 290 HA TYR 42 HA TYR 42 9.635 -2.051 2.376 291 HB2 TYR 42 1HB TYR 42 11.920 -2.630 0.491 292 HB3 TYR 42 2HB TYR 42 11.752 -3.418 2.056 293 HD1 TYR 42 2HD TYR 42 9.843 -4.937 2.477 294 HD2 TYR 42 1HD TYR 42 10.556 -3.261 -1.369 295 HE1 TYR 42 2HE TYR 42 8.359 -6.623 1.473 296 HE2 TYR 42 1HE TYR 42 9.074 -4.941 -2.382 297 HH TYR 42 HH TYR 42 7.120 -6.385 -1.599 298 H PHE 43 H PHE 43 10.341 -1.379 4.288 299 HA PHE 43 HA PHE 43 12.689 0.400 4.362 300 HB2 PHE 43 1HB PHE 43 10.338 0.359 6.265 301 HB3 PHE 43 2HB PHE 43 11.695 1.480 6.312 302 HD1 PHE 43 2HD PHE 43 12.056 2.420 3.671 303 HD2 PHE 43 1HD PHE 43 8.417 1.437 5.648 304 HE1 PHE 43 2HE PHE 43 10.838 3.956 2.185 305 HE2 PHE 43 1HE PHE 43 7.192 2.972 4.165 306 HZ PHE 43 HZ PHE 43 8.403 4.235 2.431 307 H LYS 44 H LYS 44 14.284 -1.052 4.822 308 HA LYS 44 HA LYS 44 14.027 -3.181 6.674 309 HB2 LYS 44 1HB LYS 44 15.988 -2.227 4.855 310 HB3 LYS 44 2HB LYS 44 16.759 -2.366 6.431 311 HG2 LYS 44 1HG LYS 44 16.152 -4.683 6.587 312 HG3 LYS 44 2HG LYS 44 15.197 -4.574 5.107 313 HD2 LYS 44 1HD LYS 44 18.130 -3.930 5.135 314 HD3 LYS 44 2HD LYS 44 17.550 -5.587 4.951 315 HE2 LYS 44 1HE LYS 44 16.292 -3.564 3.208 316 HE3 LYS 44 2HE LYS 44 17.989 -3.914 2.887 317 HZ1 LYS 44 1HZ LYS 44 15.648 -5.625 2.574 318 HZ2 LYS 44 2HZ LYS 44 17.074 -6.372 3.091 319 HZ3 LYS 44 3HZ LYS 44 17.047 -5.522 1.628 320 H SER 45 H SER 45 14.561 0.173 7.055 321 HA SER 45 HA SER 45 15.964 0.052 9.546 322 HB2 SER 45 1HB SER 45 16.054 2.010 7.994 323 HB3 SER 45 2HB SER 45 14.374 2.361 8.403 324 HG SER 45 HG SER 45 16.501 2.220 10.278 325 H PHE 46 H PHE 46 12.607 0.215 8.561 326 HA PHE 46 HA PHE 46 11.826 -0.007 11.393 327 HB2 PHE 46 1HB PHE 46 10.215 1.308 9.198 328 HB3 PHE 46 2HB PHE 46 9.784 1.213 10.902 329 HD1 PHE 46 1HD PHE 46 12.171 2.685 8.501 330 HD2 PHE 46 2HD PHE 46 10.605 2.779 12.458 331 HE1 PHE 46 1HE PHE 46 13.328 4.819 8.906 332 HE2 PHE 46 2HE PHE 46 11.758 4.913 12.868 333 HZ PHE 46 HZ PHE 46 13.122 5.937 11.091 334 H LYS 47 H LYS 47 12.359 -1.967 9.111 335 HA LYS 47 HA LYS 47 11.336 -3.756 8.065 336 HB2 LYS 47 1HB LYS 47 10.865 -3.900 11.002 337 HB3 LYS 47 2HB LYS 47 10.054 -5.087 9.989 338 HG2 LYS 47 1HG LYS 47 13.022 -4.586 9.978 339 HG3 LYS 47 2HG LYS 47 12.220 -5.861 10.898 340 HD2 LYS 47 1HD LYS 47 11.284 -6.714 8.740 341 HD3 LYS 47 2HD LYS 47 12.298 -5.538 7.901 342 HE2 LYS 47 1HE LYS 47 13.459 -7.616 7.887 343 HE3 LYS 47 2HE LYS 47 14.276 -6.565 9.044 344 HZ1 LYS 47 1HZ LYS 47 13.028 -9.082 9.475 345 HZ2 LYS 47 2HZ LYS 47 12.370 -7.908 10.499 346 HZ3 LYS 47 3HZ LYS 47 14.037 -8.199 10.505 347 H ARG 48 H ARG 48 9.841 -1.664 7.335 348 HA ARG 48 HA ARG 48 7.080 -2.646 7.637 349 HB2 ARG 48 1HB ARG 48 8.186 0.070 7.955 350 HB3 ARG 48 2HB ARG 48 6.723 -0.029 6.985 351 HG2 ARG 48 1HG ARG 48 5.568 -1.144 8.817 352 HG3 ARG 48 2HG ARG 48 7.040 -1.080 9.788 353 HD2 ARG 48 1HD ARG 48 6.320 1.520 8.727 354 HD3 ARG 48 2HD ARG 48 5.024 0.823 9.700 355 HE ARG 48 HE ARG 48 7.519 1.840 10.641 356 HH11 ARG 48 2HH1 ARG 48 5.041 -0.527 11.257 357 HH12 ARG 48 1HH1 ARG 48 5.365 -0.615 12.956 358 HH21 ARG 48 2HH2 ARG 48 7.954 1.734 12.877 359 HH22 ARG 48 1HH2 ARG 48 7.022 0.672 13.877 360 H VAL 49 H VAL 49 5.684 -2.283 5.804 361 HA VAL 49 HA VAL 49 7.133 -1.894 3.268 362 HB VAL 49 HB VAL 49 4.934 -3.917 3.708 363 HG11 VAL 49 1HG1 VAL 49 4.901 -3.192 1.455 364 HG12 VAL 49 2HG1 VAL 49 6.662 -3.227 1.343 365 HG13 VAL 49 3HG1 VAL 49 5.755 -4.735 1.464 366 HG21 VAL 49 1HG2 VAL 49 7.891 -4.401 3.357 367 HG22 VAL 49 2HG2 VAL 49 7.021 -4.522 4.887 368 HG23 VAL 49 3HG2 VAL 49 6.640 -5.626 3.564 369 H ARG 50 H ARG 50 6.384 -0.069 2.411 370 HA ARG 50 HA ARG 50 3.611 0.723 2.845 371 HB2 ARG 50 1HB ARG 50 5.978 2.150 2.724 372 HB3 ARG 50 2HB ARG 50 5.232 2.478 1.166 373 HG2 ARG 50 1HG ARG 50 3.311 2.694 3.309 374 HG3 ARG 50 2HG ARG 50 4.704 3.744 3.578 375 HD2 ARG 50 1HD ARG 50 4.409 4.554 1.213 376 HD3 ARG 50 2HD ARG 50 2.883 3.671 1.181 377 HE ARG 50 HE ARG 50 1.942 5.332 2.438 378 HH11 ARG 50 2HH1 ARG 50 5.409 5.580 2.647 379 HH12 ARG 50 1HH1 ARG 50 5.380 7.084 3.507 380 HH21 ARG 50 2HH2 ARG 50 1.891 7.312 3.569 381 HH22 ARG 50 1HH2 ARG 50 3.379 8.068 4.032 382 H ILE 51 H ILE 51 2.178 -0.117 1.477 383 HA ILE 51 HA ILE 51 2.932 -0.421 -1.350 384 HB ILE 51 HB ILE 51 0.695 -1.764 0.172 385 HG12 ILE 51 1HG1 ILE 51 2.786 -3.418 -1.041 386 HG13 ILE 51 2HG1 ILE 51 3.389 -2.353 0.224 387 HG21 ILE 51 1HG2 ILE 51 0.739 -3.200 -1.992 388 HG22 ILE 51 2HG2 ILE 51 -0.112 -1.657 -1.989 389 HG23 ILE 51 3HG2 ILE 51 1.494 -1.776 -2.706 390 HD11 ILE 51 1HD1 ILE 51 1.509 -4.639 0.401 391 HD12 ILE 51 2HD1 ILE 51 2.844 -4.182 1.458 392 HD13 ILE 51 3HD1 ILE 51 1.318 -3.303 1.537 393 H ASN 52 H ASN 52 2.358 1.369 -2.424 394 HA ASN 52 HA ASN 52 -0.137 2.730 -1.767 395 HB2 ASN 52 1HB ASN 52 2.312 3.701 -2.470 396 HB3 ASN 52 2HB ASN 52 1.474 3.740 -4.019 397 HD21 ASN 52 2HD2 ASN 52 1.907 5.240 -1.019 398 HD22 ASN 52 1HD2 ASN 52 0.694 6.460 -1.180 399 H PHE 53 H PHE 53 -1.958 2.349 -2.831 400 HA PHE 53 HA PHE 53 -1.852 0.833 -5.328 401 HB2 PHE 53 1HB PHE 53 -4.225 1.514 -3.579 402 HB3 PHE 53 2HB PHE 53 -4.240 0.430 -4.965 403 HD1 PHE 53 2HD PHE 53 -2.490 0.893 -1.707 404 HD2 PHE 53 1HD PHE 53 -4.020 -1.828 -4.600 405 HE1 PHE 53 2HE PHE 53 -1.919 -0.991 -0.231 406 HE2 PHE 53 1HE PHE 53 -3.452 -3.717 -3.129 407 HZ PHE 53 HZ PHE 53 -2.399 -3.299 -0.941 408 H SER 54 H SER 54 -3.612 1.416 -6.957 409 HA SER 54 HA SER 54 -3.253 4.205 -7.648 410 HB2 SER 54 1HB SER 54 -4.293 3.591 -9.784 411 HB3 SER 54 2HB SER 54 -3.007 2.457 -9.371 412 HG SER 54 HG SER 54 -5.766 2.021 -8.869 413 H ASN 55 H ASN 55 -5.650 2.237 -6.191 414 HA ASN 55 HA ASN 55 -7.435 4.533 -6.012 415 HB2 ASN 55 1HB ASN 55 -9.412 3.158 -6.614 416 HB3 ASN 55 2HB ASN 55 -8.292 3.360 -7.958 417 HD21 ASN 55 2HD2 ASN 55 -8.148 1.590 -9.113 418 HD22 ASN 55 1HD2 ASN 55 -8.139 -0.028 -8.509 419 HA PRO 56 HA PRO 56 -7.932 3.128 -1.879 420 HB2 PRO 56 1HB PRO 56 -10.369 4.177 -1.300 421 HB3 PRO 56 2HB PRO 56 -8.909 5.162 -1.447 422 HG2 PRO 56 1HG PRO 56 -11.086 4.689 -3.448 423 HG3 PRO 56 2HG PRO 56 -10.262 6.202 -3.028 424 HD2 PRO 56 1HD PRO 56 -9.630 4.763 -5.233 425 HD3 PRO 56 2HD PRO 56 -8.429 5.715 -4.336 426 H LEU 57 H LEU 57 -9.819 1.997 -4.422 427 HA LEU 57 HA LEU 57 -11.733 0.466 -2.958 428 HB2 LEU 57 1HB LEU 57 -10.746 -0.022 -5.761 429 HB3 LEU 57 2HB LEU 57 -12.267 -0.565 -5.055 430 HG LEU 57 HG LEU 57 -11.884 2.351 -5.077 431 HD11 LEU 57 1HD1 LEU 57 -10.939 1.249 -7.303 432 HD12 LEU 57 2HD1 LEU 57 -11.872 2.744 -7.310 433 HD13 LEU 57 3HD1 LEU 57 -12.656 1.213 -7.701 434 HD21 LEU 57 1HD2 LEU 57 -14.001 1.741 -4.439 435 HD22 LEU 57 2HD2 LEU 57 -14.050 0.354 -5.527 436 HD23 LEU 57 3HD2 LEU 57 -14.243 1.987 -6.168 437 H SER 58 H SER 58 -9.060 -0.693 -5.017 438 HA SER 58 HA SER 58 -9.005 -3.294 -4.069 439 HB2 SER 58 1HB SER 58 -7.531 -1.810 -5.894 440 HB3 SER 58 2HB SER 58 -6.335 -2.296 -4.694 441 HG SER 58 HG SER 58 -8.163 -4.139 -5.807 442 H ALA 59 H ALA 59 -7.261 -0.454 -2.876 443 HA ALA 59 HA ALA 59 -5.512 -1.428 -1.081 444 HB1 ALA 59 1HB ALA 59 -6.249 1.002 -1.509 445 HB2 ALA 59 2HB ALA 59 -7.383 0.732 -0.186 446 HB3 ALA 59 3HB ALA 59 -5.649 0.574 0.092 447 H ALA 60 H ALA 60 -8.982 -1.638 -0.848 448 HA ALA 60 HA ALA 60 -8.992 -2.479 1.908 449 HB1 ALA 60 1HB ALA 60 -11.010 -1.544 1.526 450 HB2 ALA 60 2HB ALA 60 -11.011 -1.980 -0.183 451 HB3 ALA 60 3HB ALA 60 -11.435 -3.184 1.034 452 H ASP 61 H ASP 61 -9.655 -4.076 -1.209 453 HA ASP 61 HA ASP 61 -10.061 -6.651 -0.239 454 HB2 ASP 61 1HB ASP 61 -9.689 -5.408 -2.794 455 HB3 ASP 61 2HB ASP 61 -8.724 -6.881 -2.729 456 H ALA 62 H ALA 62 -7.043 -5.186 -1.434 457 HA ALA 62 HA ALA 62 -5.264 -7.200 -1.263 458 HB1 ALA 62 1HB ALA 62 -4.705 -4.868 -1.847 459 HB2 ALA 62 2HB ALA 62 -4.751 -4.453 -0.133 460 HB3 ALA 62 3HB ALA 62 -3.545 -5.592 -0.733 461 H ARG 63 H ARG 63 -6.751 -5.551 1.458 462 HA ARG 63 HA ARG 63 -5.100 -6.858 3.421 463 HB2 ARG 63 1HB ARG 63 -6.078 -4.613 3.797 464 HB3 ARG 63 2HB ARG 63 -7.683 -5.331 3.783 465 HG2 ARG 63 1HG ARG 63 -7.203 -6.582 5.775 466 HG3 ARG 63 2HG ARG 63 -5.520 -6.051 5.748 467 HD2 ARG 63 1HD ARG 63 -6.010 -4.074 6.685 468 HD3 ARG 63 2HD ARG 63 -7.452 -3.859 5.693 469 HE ARG 63 HE ARG 63 -7.365 -4.783 8.369 470 HH11 ARG 63 2HH1 ARG 63 -9.030 -5.256 5.348 471 HH12 ARG 63 1HH1 ARG 63 -10.496 -5.804 6.093 472 HH21 ARG 63 2HH2 ARG 63 -9.289 -5.502 9.360 473 HH22 ARG 63 1HH2 ARG 63 -10.642 -5.942 8.375 474 H LEU 64 H LEU 64 -8.587 -7.005 2.669 475 HA LEU 64 HA LEU 64 -9.343 -9.063 4.295 476 HB2 LEU 64 1HB LEU 64 -11.269 -8.947 3.183 477 HB3 LEU 64 2HB LEU 64 -10.503 -7.663 2.250 478 HG LEU 64 HG LEU 64 -9.755 -9.556 0.667 479 HD11 LEU 64 1HD1 LEU 64 -11.789 -11.296 0.801 480 HD12 LEU 64 2HD1 LEU 64 -11.569 -10.966 2.520 481 HD13 LEU 64 3HD1 LEU 64 -10.221 -11.576 1.560 482 HD21 LEU 64 1HD2 LEU 64 -12.247 -8.088 0.917 483 HD22 LEU 64 2HD2 LEU 64 -12.438 -9.582 -0.001 484 HD23 LEU 64 3HD2 LEU 64 -11.245 -8.383 -0.505 485 H ARG 65 H ARG 65 -7.550 -9.261 1.293 486 HA ARG 65 HA ARG 65 -7.705 -12.146 1.179 487 HB2 ARG 65 1HB ARG 65 -6.302 -10.050 -0.460 488 HB3 ARG 65 2HB ARG 65 -5.947 -11.759 -0.675 489 HG2 ARG 65 1HG ARG 65 -8.643 -11.797 -0.808 490 HG3 ARG 65 2HG ARG 65 -8.302 -10.199 -1.475 491 HD2 ARG 65 1HD ARG 65 -7.662 -11.101 -3.401 492 HD3 ARG 65 2HD ARG 65 -6.464 -12.093 -2.571 493 HE ARG 65 HE ARG 65 -8.876 -12.999 -3.687 494 HH11 ARG 65 2HH1 ARG 65 -6.942 -13.371 -0.816 495 HH12 ARG 65 1HH1 ARG 65 -7.493 -14.983 -0.497 496 HH21 ARG 65 2HH2 ARG 65 -9.608 -15.120 -3.278 497 HH22 ARG 65 1HH2 ARG 65 -9.008 -15.976 -1.899 498 H LEU 66 H LEU 66 -5.402 -9.691 2.191 499 HA LEU 66 HA LEU 66 -3.490 -11.787 2.943 500 HB2 LEU 66 1HB LEU 66 -3.003 -8.824 3.000 501 HB3 LEU 66 2HB LEU 66 -1.813 -10.124 3.008 502 HG LEU 66 HG LEU 66 -3.604 -9.689 0.643 503 HD11 LEU 66 1HD1 LEU 66 -2.628 -7.768 0.133 504 HD12 LEU 66 2HD1 LEU 66 -1.055 -8.563 0.156 505 HD13 LEU 66 3HD1 LEU 66 -1.692 -7.827 1.626 506 HD21 LEU 66 1HD2 LEU 66 -2.142 -11.762 1.033 507 HD22 LEU 66 2HD2 LEU 66 -0.778 -10.693 0.701 508 HD23 LEU 66 3HD2 LEU 66 -2.022 -10.944 -0.525 509 H HIS 67 H HIS 67 -2.268 -9.733 4.802 510 HA HIS 67 HA HIS 67 -2.526 -8.921 6.949 511 HB2 HIS 67 1HB HIS 67 -5.075 -8.849 6.236 512 HB3 HIS 67 2HB HIS 67 -5.180 -10.242 7.309 513 HD1 HIS 67 1HD HIS 67 -2.806 -7.516 8.189 514 HD2 HIS 67 2HD HIS 67 -6.668 -8.707 9.152 515 HE1 HIS 67 1HE HIS 67 -3.434 -6.179 10.224 516 H LYS 68 H LYS 68 -4.096 -10.537 8.934 517 HA LYS 68 HA LYS 68 -2.251 -12.024 10.146 518 HB2 LYS 68 1HB LYS 68 -5.133 -12.863 9.776 519 HB3 LYS 68 2HB LYS 68 -4.046 -13.515 10.996 520 HG2 LYS 68 1HG LYS 68 -4.454 -11.824 12.368 521 HG3 LYS 68 2HG LYS 68 -4.103 -10.638 11.109 522 HD2 LYS 68 1HD LYS 68 -6.321 -10.192 11.619 523 HD3 LYS 68 2HD LYS 68 -6.458 -11.256 10.217 524 HE2 LYS 68 1HE LYS 68 -7.845 -12.469 11.481 525 HE3 LYS 68 2HE LYS 68 -6.394 -13.023 12.317 526 HZ1 LYS 68 1HZ LYS 68 -7.925 -10.617 13.130 527 HZ2 LYS 68 2HZ LYS 68 -6.694 -11.394 13.992 528 HZ3 LYS 68 3HZ LYS 68 -8.191 -12.153 13.786 529 H THR 69 H THR 69 -3.946 -12.973 7.234 530 HA THR 69 HA THR 69 -3.648 -15.591 6.907 531 HB THR 69 HB THR 69 -3.060 -15.265 4.538 532 HG1 THR 69 1HG THR 69 -2.448 -13.265 3.792 533 HG21 THR 69 1HG2 THR 69 -5.122 -13.515 5.824 534 HG22 THR 69 2HG2 THR 69 -5.338 -14.972 4.853 535 HG23 THR 69 3HG2 THR 69 -4.879 -13.456 4.078 536 H GLU 70 H GLU 70 -2.125 -17.051 7.281 537 HA GLU 70 HA GLU 70 0.529 -16.386 7.959 538 HB2 GLU 70 1HB GLU 70 -1.095 -18.780 7.804 539 HB3 GLU 70 2HB GLU 70 0.537 -19.085 7.226 540 HG2 GLU 70 1HG GLU 70 1.497 -18.518 9.275 541 HG3 GLU 70 2HG GLU 70 0.043 -17.691 9.829 542 H PHE 71 H PHE 71 1.513 -15.227 6.322 543 HA PHE 71 HA PHE 71 1.701 -16.389 3.664 544 HB2 PHE 71 1HB PHE 71 1.416 -14.080 3.520 545 HB3 PHE 71 2HB PHE 71 2.486 -13.764 4.882 546 HD1 PHE 71 2HD PHE 71 4.967 -14.116 4.569 547 HD2 PHE 71 1HD PHE 71 2.213 -14.032 1.326 548 HE1 PHE 71 2HE PHE 71 6.820 -13.672 3.013 549 HE2 PHE 71 1HE PHE 71 4.062 -13.589 -0.237 550 HZ PHE 71 HZ PHE 71 6.369 -13.407 0.606 551 H LEU 72 H LEU 72 3.305 -17.664 3.036 552 HA LEU 72 HA LEU 72 5.252 -18.841 3.028 553 HB2 LEU 72 1HB LEU 72 6.004 -16.059 3.639 554 HB3 LEU 72 2HB LEU 72 7.224 -17.276 4.010 555 HG LEU 72 HG LEU 72 7.366 -16.135 1.742 556 HD11 LEU 72 1HD1 LEU 72 7.427 -18.697 0.733 557 HD12 LEU 72 2HD1 LEU 72 7.658 -18.933 2.465 558 HD13 LEU 72 3HD1 LEU 72 8.745 -17.874 1.567 559 HD21 LEU 72 1HD2 LEU 72 4.866 -17.753 1.395 560 HD22 LEU 72 2HD2 LEU 72 5.914 -17.386 0.025 561 HD23 LEU 72 3HD2 LEU 72 5.178 -16.076 0.948 562 H GLY 73 H GLY 73 3.564 -18.690 5.532 563 HA2 GLY 73 1HA GLY 73 3.789 -20.162 7.378 564 HA3 GLY 73 2HA GLY 73 5.535 -19.996 7.265 565 H LYS 74 H LYS 74 4.927 -16.969 6.965 566 HA LYS 74 HA LYS 74 4.770 -16.472 9.861 567 HB2 LYS 74 1HB LYS 74 6.292 -15.185 7.640 568 HB3 LYS 74 2HB LYS 74 5.803 -14.184 9.002 569 HG2 LYS 74 1HG LYS 74 7.249 -16.770 9.435 570 HG3 LYS 74 2HG LYS 74 8.122 -15.285 9.047 571 HD2 LYS 74 1HD LYS 74 7.595 -14.292 11.045 572 HD3 LYS 74 2HD LYS 74 6.099 -15.209 11.230 573 HE2 LYS 74 1HE LYS 74 7.472 -16.137 12.850 574 HE3 LYS 74 2HE LYS 74 7.663 -17.251 11.496 575 HZ1 LYS 74 1HZ LYS 74 9.797 -16.648 11.185 576 HZ2 LYS 74 2HZ LYS 74 9.708 -16.201 12.814 577 HZ3 LYS 74 3HZ LYS 74 9.537 -15.030 11.606 578 H GLU 75 H GLU 75 3.527 -14.746 10.647 579 HA GLU 75 HA GLU 75 1.199 -14.152 9.028 580 HB2 GLU 75 1HB GLU 75 0.605 -14.671 11.224 581 HB3 GLU 75 2HB GLU 75 1.935 -13.744 11.905 582 HG2 GLU 75 1HG GLU 75 0.842 -11.709 11.584 583 HG3 GLU 75 2HG GLU 75 -0.302 -12.404 10.436 584 H MET 76 H MET 76 0.819 -12.310 7.974 585 HA MET 76 HA MET 76 2.668 -10.063 8.424 586 HB2 MET 76 1HB MET 76 2.922 -10.946 6.202 587 HB3 MET 76 2HB MET 76 1.183 -10.918 5.938 588 HG2 MET 76 1HG MET 76 2.196 -8.304 6.639 589 HG3 MET 76 2HG MET 76 3.011 -8.967 5.225 590 HE1 MET 76 1HE MET 76 0.246 -9.587 2.702 591 HE2 MET 76 2HE MET 76 1.733 -10.208 3.417 592 HE3 MET 76 3HE MET 76 0.168 -10.759 4.018 593 H LYS 77 H LYS 77 1.859 -8.215 9.169 594 HA LYS 77 HA LYS 77 -1.045 -7.951 9.393 595 HB2 LYS 77 1HB LYS 77 1.247 -7.097 10.970 596 HB3 LYS 77 2HB LYS 77 0.116 -5.780 10.685 597 HG2 LYS 77 1HG LYS 77 -1.690 -7.417 11.472 598 HG3 LYS 77 2HG LYS 77 -0.350 -8.381 12.096 599 HD2 LYS 77 1HD LYS 77 0.368 -6.056 13.134 600 HD3 LYS 77 2HD LYS 77 -1.358 -5.721 12.975 601 HE2 LYS 77 1HE LYS 77 -1.293 -6.633 15.079 602 HE3 LYS 77 2HE LYS 77 -1.598 -8.073 14.109 603 HZ1 LYS 77 1HZ LYS 77 1.026 -7.182 15.174 604 HZ2 LYS 77 2HZ LYS 77 0.813 -8.500 14.135 605 HZ3 LYS 77 3HZ LYS 77 0.132 -8.526 15.683 606 H LEU 78 H LEU 78 -1.996 -5.775 9.056 607 HA LEU 78 HA LEU 78 -0.583 -4.091 7.139 608 HB2 LEU 78 1HB LEU 78 -3.098 -5.614 6.581 609 HB3 LEU 78 2HB LEU 78 -2.793 -4.073 5.784 610 HG LEU 78 HG LEU 78 -0.560 -5.943 5.570 611 HD11 LEU 78 1HD1 LEU 78 -3.271 -6.875 5.006 612 HD12 LEU 78 2HD1 LEU 78 -1.768 -7.782 5.174 613 HD13 LEU 78 3HD1 LEU 78 -2.167 -7.013 3.637 614 HD21 LEU 78 1HD2 LEU 78 -2.121 -4.082 3.842 615 HD22 LEU 78 2HD2 LEU 78 -1.128 -5.327 3.083 616 HD23 LEU 78 3HD2 LEU 78 -0.387 -4.142 4.160 617 H TYR 79 H TYR 79 -0.965 -1.994 7.487 618 HA TYR 79 HA TYR 79 -3.322 -1.264 9.098 619 HB2 TYR 79 1HB TYR 79 -0.508 -0.178 9.249 620 HB3 TYR 79 2HB TYR 79 -1.889 0.609 10.006 621 HD1 TYR 79 1HD TYR 79 -0.213 -2.729 9.878 622 HD2 TYR 79 2HD TYR 79 -2.372 0.101 12.208 623 HE1 TYR 79 1HE TYR 79 0.070 -4.156 11.862 624 HE2 TYR 79 2HE TYR 79 -2.094 -1.317 14.198 625 HH TYR 79 HH TYR 79 0.021 -4.042 14.234 626 H PHE 80 H PHE 80 -4.373 0.654 8.594 627 HA PHE 80 HA PHE 80 -4.218 1.456 5.860 628 HB2 PHE 80 1HB PHE 80 -5.941 2.074 8.189 629 HB3 PHE 80 2HB PHE 80 -5.845 3.318 6.946 630 HD1 PHE 80 1HD PHE 80 -5.896 2.119 4.454 631 HD2 PHE 80 2HD PHE 80 -7.790 0.746 8.010 632 HE1 PHE 80 1HE PHE 80 -7.544 0.893 3.099 633 HE2 PHE 80 2HE PHE 80 -9.440 -0.482 6.661 634 HZ PHE 80 HZ PHE 80 -9.318 -0.410 4.203 635 H ALA 81 H ALA 81 -2.542 2.635 5.182 636 HA ALA 81 HA ALA 81 -0.870 4.254 6.649 637 HB1 ALA 81 1HB ALA 81 -0.236 3.636 4.450 638 HB2 ALA 81 2HB ALA 81 -1.652 4.418 3.748 639 HB3 ALA 81 3HB ALA 81 -0.369 5.395 4.462 640 H GLN 82 H GLN 82 -3.463 5.482 4.521 641 HA GLN 82 HA GLN 82 -4.932 7.216 4.818 642 HB2 GLN 82 1HB GLN 82 -4.410 6.515 7.403 643 HB3 GLN 82 2HB GLN 82 -3.844 8.181 7.376 644 HG2 GLN 82 1HG GLN 82 -6.516 7.560 6.229 645 HG3 GLN 82 2HG GLN 82 -6.325 7.588 7.981 646 HE21 GLN 82 2HE2 GLN 82 -4.840 9.589 8.614 647 HE22 GLN 82 1HE2 GLN 82 -5.410 11.094 7.985 648 H THR 83 H THR 83 -1.754 7.992 6.232 649 HA THR 83 HA THR 83 -1.040 9.776 4.162 650 HB THR 83 HB THR 83 -2.749 11.221 5.164 651 HG1 THR 83 1HG THR 83 -0.193 12.247 5.861 652 HG21 THR 83 1HG2 THR 83 -1.075 10.972 7.666 653 HG22 THR 83 2HG2 THR 83 -2.731 10.407 7.444 654 HG23 THR 83 3HG2 THR 83 -2.380 12.135 7.439 655 H LEU 84 H LEU 84 1.044 10.727 4.477 656 HA LEU 84 HA LEU 84 3.014 9.243 5.482 657 HB2 LEU 84 1HB LEU 84 2.878 12.249 5.645 658 HB3 LEU 84 2HB LEU 84 4.352 11.300 5.824 659 HG LEU 84 HG LEU 84 3.400 10.457 3.393 660 HD11 LEU 84 1HD1 LEU 84 1.765 11.960 2.906 661 HD12 LEU 84 2HD1 LEU 84 3.158 12.875 2.333 662 HD13 LEU 84 3HD1 LEU 84 2.466 13.224 3.917 663 HD21 LEU 84 1HD2 LEU 84 5.715 11.094 4.079 664 HD22 LEU 84 2HD2 LEU 84 5.267 12.782 3.831 665 HD23 LEU 84 3HD2 LEU 84 5.250 11.656 2.472 666 H HIS 85 H HIS 85 3.054 8.202 7.372 667 HA HIS 85 HA HIS 85 1.841 8.828 9.735 668 HB2 HIS 85 1HB HIS 85 3.561 7.422 10.848 669 HB3 HIS 85 2HB HIS 85 2.907 6.680 9.392 670 HD1 HIS 85 1HD HIS 85 6.031 7.474 11.005 671 HD2 HIS 85 2HD HIS 85 4.731 7.054 7.081 672 HE1 HIS 85 1HE HIS 85 8.117 7.149 9.636 673 H ILE 86 H ILE 86 2.653 9.657 11.769 674 HA ILE 86 HA ILE 86 4.831 11.612 11.497 675 HB ILE 86 HB ILE 86 2.626 12.758 11.269 676 HG12 ILE 86 1HG1 ILE 86 3.484 13.877 13.811 677 HG13 ILE 86 2HG1 ILE 86 4.857 13.469 12.786 678 HG21 ILE 86 1HG2 ILE 86 1.228 11.421 12.654 679 HG22 ILE 86 2HG2 ILE 86 2.248 11.707 14.063 680 HG23 ILE 86 3HG2 ILE 86 1.299 13.026 13.380 681 HD11 ILE 86 1HD1 ILE 86 3.829 14.797 10.971 682 HD12 ILE 86 2HD1 ILE 86 2.561 15.282 12.096 683 HD13 ILE 86 3HD1 ILE 86 4.234 15.745 12.401 684 H GLY 87 H GLY 87 6.098 11.903 13.292 685 HA2 GLY 87 1HA GLY 87 5.555 10.053 15.525 686 HA3 GLY 87 2HA GLY 87 7.152 10.599 15.035 687 H SER 88 H SER 88 5.054 10.847 17.450 688 HA SER 88 HA SER 88 4.764 13.586 17.957 689 HB2 SER 88 1HB SER 88 3.728 11.499 19.153 690 HB3 SER 88 2HB SER 88 5.143 11.626 20.197 691 HG SER 88 HG SER 88 2.932 12.963 20.432 692 H SER 89 H SER 89 6.295 15.058 18.211 693 HA SER 89 HA SER 89 8.175 16.121 18.940 694 HB2 SER 89 1HB SER 89 7.545 14.545 21.044 695 HB3 SER 89 2HB SER 89 9.128 13.886 20.635 696 HG SER 89 HG SER 89 9.364 15.593 22.087 697 H HIS 90 H HIS 90 9.600 16.280 17.338 698 HA HIS 90 HA HIS 90 10.641 14.312 15.748 699 HB2 HIS 90 1HB HIS 90 12.019 16.862 16.612 700 HB3 HIS 90 2HB HIS 90 12.486 15.878 15.229 701 HD1 HIS 90 1HD HIS 90 9.677 18.093 16.430 702 HD2 HIS 90 2HD HIS 90 11.058 16.340 12.925 703 HE1 HIS 90 1HE HIS 90 8.300 19.104 14.585 704 H LEU 91 H LEU 91 11.979 15.522 18.798 705 HA LEU 91 HA LEU 91 14.350 14.023 18.777 706 HB2 LEU 91 1HB LEU 91 12.692 15.203 20.981 707 HB3 LEU 91 2HB LEU 91 14.163 14.292 21.319 708 HG LEU 91 HG LEU 91 14.888 16.208 19.409 709 HD11 LEU 91 1HD1 LEU 91 12.935 17.268 21.416 710 HD12 LEU 91 2HD1 LEU 91 13.046 17.596 19.686 711 HD13 LEU 91 3HD1 LEU 91 14.239 18.279 20.792 712 HD21 LEU 91 1HD2 LEU 91 16.159 15.259 21.365 713 HD22 LEU 91 2HD2 LEU 91 15.281 16.398 22.386 714 HD23 LEU 91 3HD2 LEU 91 16.340 16.995 21.108 715 H ALA 92 H ALA 92 13.746 11.941 18.014 716 HA ALA 92 HA ALA 92 13.280 10.060 20.096 717 HB1 ALA 92 1HB ALA 92 11.049 10.548 18.135 718 HB2 ALA 92 2HB ALA 92 11.196 9.075 19.093 719 HB3 ALA 92 3HB ALA 92 10.982 10.631 19.895 720 HA PRO 93 HA PRO 93 15.619 8.602 16.360 721 HB2 PRO 93 1HB PRO 93 17.744 7.669 17.767 722 HB3 PRO 93 2HB PRO 93 17.611 9.347 17.230 723 HG2 PRO 93 1HG PRO 93 17.027 8.168 19.919 724 HG3 PRO 93 2HG PRO 93 17.872 9.674 19.517 725 HD2 PRO 93 1HD PRO 93 15.284 9.623 20.314 726 HD3 PRO 93 2HD PRO 93 15.908 10.831 19.173 727 HA PRO 94 HA PRO 94 14.212 4.446 16.843 728 HB2 PRO 94 1HB PRO 94 15.669 3.274 14.874 729 HB3 PRO 94 2HB PRO 94 14.278 4.317 14.550 730 HG2 PRO 94 1HG PRO 94 17.198 4.972 14.466 731 HG3 PRO 94 2HG PRO 94 15.915 5.433 13.331 732 HD2 PRO 94 1HD PRO 94 16.863 7.122 15.224 733 HD3 PRO 94 2HD PRO 94 15.175 7.155 14.674 734 H ASN 95 H ASN 95 15.172 2.165 16.972 735 HA ASN 95 HA ASN 95 17.841 2.140 18.174 736 HB2 ASN 95 1HB ASN 95 16.796 0.539 19.947 737 HB3 ASN 95 2HB ASN 95 16.631 2.280 20.158 738 HD21 ASN 95 2HD2 ASN 95 14.630 3.255 19.791 739 HD22 ASN 95 1HD2 ASN 95 13.165 2.338 19.758 740 HA PRO 96 HA PRO 96 18.269 -1.525 15.770 741 HB2 PRO 96 1HB PRO 96 20.371 -2.643 17.075 742 HB3 PRO 96 2HB PRO 96 20.535 -1.238 16.014 743 HG2 PRO 96 1HG PRO 96 20.359 -1.347 19.001 744 HG3 PRO 96 2HG PRO 96 21.429 -0.371 17.979 745 HD2 PRO 96 1HD PRO 96 19.193 0.636 19.127 746 HD3 PRO 96 2HD PRO 96 19.799 1.202 17.558 747 H ASP 97 H ASP 97 18.793 -3.986 16.293 748 HA ASP 97 HA ASP 97 17.047 -4.809 18.521 749 HB2 ASP 97 1HB ASP 97 16.311 -6.711 17.115 750 HB3 ASP 97 2HB ASP 97 15.874 -5.153 16.420 751 H LYS 98 H LYS 98 19.610 -5.921 16.316 752 HA LYS 98 HA LYS 98 21.506 -7.126 16.717 753 HB2 LYS 98 1HB LYS 98 20.977 -5.923 19.188 754 HB3 LYS 98 2HB LYS 98 21.229 -7.624 19.558 755 HG2 LYS 98 1HG LYS 98 23.327 -6.544 19.745 756 HG3 LYS 98 2HG LYS 98 23.366 -7.496 18.259 757 HD2 LYS 98 1HD LYS 98 22.373 -4.996 17.505 758 HD3 LYS 98 2HD LYS 98 23.688 -4.651 18.631 759 HE2 LYS 98 1HE LYS 98 25.043 -4.917 16.875 760 HE3 LYS 98 2HE LYS 98 24.739 -6.643 17.060 761 HZ1 LYS 98 1HZ LYS 98 22.859 -5.041 15.477 762 HZ2 LYS 98 2HZ LYS 98 23.289 -6.670 15.313 763 HZ3 LYS 98 3HZ LYS 98 24.346 -5.459 14.786 764 H SER 99 H SER 99 22.199 -9.322 17.595 765 HA SER 99 HA SER 99 20.299 -11.251 16.813 766 HB2 SER 99 1HB SER 99 21.961 -12.891 17.357 767 HB3 SER 99 2HB SER 99 22.814 -11.489 16.708 768 HG SER 99 HG SER 99 22.834 -10.934 19.149 769 H GLY 100 H GLY 100 19.006 -12.632 17.957 770 HA2 GLY 100 1HA GLY 100 19.009 -12.387 20.891 771 HA3 GLY 100 2HA GLY 100 17.515 -12.131 20.001 772 HA PRO 101 HA PRO 101 16.687 -16.420 20.502 773 HB2 PRO 101 1HB PRO 101 14.839 -16.722 18.536 774 HB3 PRO 101 2HB PRO 101 14.495 -15.893 20.059 775 HG2 PRO 101 1HG PRO 101 15.177 -14.737 17.383 776 HG3 PRO 101 2HG PRO 101 13.948 -14.212 18.548 777 HD2 PRO 101 1HD PRO 101 16.345 -12.977 18.305 778 HD3 PRO 101 2HD PRO 101 15.481 -13.089 19.853 779 H SER 102 H SER 102 16.375 -18.420 19.008 780 HA SER 102 HA SER 102 18.577 -18.391 17.057 781 HB2 SER 102 1HB SER 102 18.960 -19.925 18.901 782 HB3 SER 102 2HB SER 102 17.388 -20.680 18.642 783 HG SER 102 HG SER 102 18.124 -21.466 16.676 784 H SER 103 H SER 103 18.349 -19.862 15.191 785 HA SER 103 HA SER 103 15.762 -20.761 14.385 786 HB2 SER 103 1HB SER 103 16.741 -18.101 13.468 787 HB3 SER 103 2HB SER 103 15.952 -19.133 12.276 788 HG SER 103 HG SER 103 14.755 -17.593 13.955 789 H GLY 104 H GLY 104 18.938 -19.673 13.213 790 HA2 GLY 104 1HA GLY 104 19.060 -21.289 10.928 791 HA3 GLY 104 2HA GLY 104 20.451 -20.663 11.799 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -3.923 9.451 -13.822 2 HA2 GLY 1 1HA GLY 1 -1.852 10.436 -12.779 3 HA3 GLY 1 2HA GLY 1 -2.072 11.751 -13.925 4 H SER 2 H SER 2 -2.949 10.460 -10.883 5 HA SER 2 HA SER 2 -4.324 12.906 -10.198 6 HB2 SER 2 1HB SER 2 -5.865 10.712 -11.045 7 HB3 SER 2 2HB SER 2 -6.007 10.741 -9.288 8 HG SER 2 HG SER 2 -7.487 12.184 -9.775 9 H SER 3 H SER 3 -4.037 13.419 -8.101 10 HA SER 3 HA SER 3 -2.217 11.938 -6.535 11 HB2 SER 3 1HB SER 3 -3.329 14.511 -6.467 12 HB3 SER 3 2HB SER 3 -3.810 13.761 -4.946 13 HG SER 3 HG SER 3 -1.833 14.608 -4.558 14 H GLY 4 H GLY 4 -2.736 9.968 -5.798 15 HA2 GLY 4 1HA GLY 4 -5.426 9.490 -4.740 16 HA3 GLY 4 2HA GLY 4 -4.229 8.260 -5.116 17 H SER 5 H SER 5 -5.353 7.796 -2.842 18 HA SER 5 HA SER 5 -3.281 8.329 -0.896 19 HB2 SER 5 1HB SER 5 -4.686 9.310 0.780 20 HB3 SER 5 2HB SER 5 -4.916 10.247 -0.697 21 HG SER 5 HG SER 5 -6.772 9.109 0.734 22 H SER 6 H SER 6 -4.149 5.988 -2.232 23 HA SER 6 HA SER 6 -5.521 4.477 -0.120 24 HB2 SER 6 1HB SER 6 -5.787 2.718 -1.895 25 HB3 SER 6 2HB SER 6 -6.595 4.241 -2.264 26 HG SER 6 HG SER 6 -4.914 4.759 -3.656 27 H GLY 7 H GLY 7 -3.256 4.836 0.915 28 HA2 GLY 7 1HA GLY 7 -1.264 2.928 -0.038 29 HA3 GLY 7 2HA GLY 7 -1.056 4.086 1.268 30 H LEU 8 H LEU 8 -0.148 1.572 1.647 31 HA LEU 8 HA LEU 8 -1.771 0.697 3.870 32 HB2 LEU 8 1HB LEU 8 -1.465 -0.895 1.372 33 HB3 LEU 8 2HB LEU 8 -1.482 -1.741 2.918 34 HG LEU 8 HG LEU 8 -3.686 0.093 1.983 35 HD11 LEU 8 1HD1 LEU 8 -3.029 -2.490 1.037 36 HD12 LEU 8 2HD1 LEU 8 -4.461 -1.524 0.685 37 HD13 LEU 8 3HD1 LEU 8 -4.465 -2.640 2.051 38 HD21 LEU 8 1HD2 LEU 8 -3.322 -1.764 4.310 39 HD22 LEU 8 2HD2 LEU 8 -4.925 -1.304 3.737 40 HD23 LEU 8 3HD2 LEU 8 -3.805 -0.068 4.311 41 H ILE 9 H ILE 9 -0.491 0.094 5.495 42 HA ILE 9 HA ILE 9 2.356 -0.292 4.943 43 HB ILE 9 HB ILE 9 1.049 0.000 7.645 44 HG12 ILE 9 1HG1 ILE 9 0.556 1.956 6.198 45 HG13 ILE 9 2HG1 ILE 9 1.599 2.365 7.557 46 HG21 ILE 9 1HG2 ILE 9 3.201 -0.877 7.926 47 HG22 ILE 9 2HG2 ILE 9 3.873 0.127 6.642 48 HG23 ILE 9 3HG2 ILE 9 3.399 0.858 8.175 49 HD11 ILE 9 1HD1 ILE 9 3.536 2.343 6.101 50 HD12 ILE 9 2HD1 ILE 9 2.521 1.873 4.736 51 HD13 ILE 9 3HD1 ILE 9 2.308 3.452 5.492 52 H ALA 10 H ALA 10 2.704 -2.379 4.397 53 HA ALA 10 HA ALA 10 1.414 -4.523 5.880 54 HB1 ALA 10 1HB ALA 10 3.364 -4.665 3.583 55 HB2 ALA 10 2HB ALA 10 2.438 -6.010 4.253 56 HB3 ALA 10 3HB ALA 10 1.606 -4.685 3.441 57 H CYS 11 H CYS 11 2.269 -5.162 7.741 58 HA CYS 11 HA CYS 11 5.125 -4.816 8.229 59 HB2 CYS 11 1HB CYS 11 3.267 -4.144 9.880 60 HB3 CYS 11 2HB CYS 11 3.115 -5.865 10.209 61 HG CYS 11 HG CYS 11 4.735 -5.561 12.198 62 H VAL 12 H VAL 12 6.299 -6.428 7.376 63 HA VAL 12 HA VAL 12 5.343 -9.186 7.628 64 HB VAL 12 HB VAL 12 7.890 -8.608 6.223 65 HG11 VAL 12 1HG1 VAL 12 5.576 -10.203 5.198 66 HG12 VAL 12 2HG1 VAL 12 7.303 -10.426 4.913 67 HG13 VAL 12 3HG1 VAL 12 6.606 -10.845 6.478 68 HG21 VAL 12 1HG2 VAL 12 6.719 -7.882 4.189 69 HG22 VAL 12 2HG2 VAL 12 5.207 -7.810 5.095 70 HG23 VAL 12 3HG2 VAL 12 6.533 -6.723 5.504 71 H ALA 13 H ALA 13 6.374 -10.716 8.815 72 HA ALA 13 HA ALA 13 8.513 -9.770 10.586 73 HB1 ALA 13 1HB ALA 13 7.916 -11.571 12.062 74 HB2 ALA 13 2HB ALA 13 6.451 -10.701 11.604 75 HB3 ALA 13 3HB ALA 13 6.826 -12.253 10.855 76 H ASN 14 H ASN 14 8.057 -11.625 7.820 77 HA ASN 14 HA ASN 14 10.185 -13.519 8.329 78 HB2 ASN 14 1HB ASN 14 7.990 -13.466 6.620 79 HB3 ASN 14 2HB ASN 14 9.370 -13.265 5.545 80 HD21 ASN 14 2HD2 ASN 14 7.721 -15.494 5.497 81 HD22 ASN 14 1HD2 ASN 14 8.632 -16.872 6.007 82 H ASP 15 H ASP 15 12.143 -12.575 8.485 83 HA ASP 15 HA ASP 15 13.053 -10.294 7.215 84 HB2 ASP 15 1HB ASP 15 15.269 -10.975 7.814 85 HB3 ASP 15 2HB ASP 15 14.190 -11.530 9.090 86 H ASP 16 H ASP 16 12.551 -13.436 5.917 87 HA ASP 16 HA ASP 16 14.365 -13.410 3.774 88 HB2 ASP 16 1HB ASP 16 11.651 -14.729 4.001 89 HB3 ASP 16 2HB ASP 16 12.824 -15.066 2.731 90 H VAL 17 H VAL 17 10.947 -12.423 3.902 91 HA VAL 17 HA VAL 17 10.454 -11.696 1.339 92 HB VAL 17 HB VAL 17 9.666 -10.247 3.862 93 HG11 VAL 17 1HG1 VAL 17 8.653 -9.779 1.059 94 HG12 VAL 17 2HG1 VAL 17 7.972 -9.079 2.530 95 HG13 VAL 17 3HG1 VAL 17 9.607 -8.653 2.023 96 HG21 VAL 17 1HG2 VAL 17 8.585 -12.279 3.905 97 HG22 VAL 17 2HG2 VAL 17 7.408 -11.286 3.045 98 HG23 VAL 17 3HG2 VAL 17 8.465 -12.376 2.148 99 H PHE 18 H PHE 18 12.664 -10.167 3.524 100 HA PHE 18 HA PHE 18 12.974 -7.826 1.821 101 HB2 PHE 18 1HB PHE 18 14.480 -8.561 4.338 102 HB3 PHE 18 2HB PHE 18 14.477 -6.993 3.537 103 HD1 PHE 18 1HD PHE 18 12.308 -9.415 5.313 104 HD2 PHE 18 2HD PHE 18 12.865 -5.386 4.057 105 HE1 PHE 18 1HE PHE 18 10.387 -8.725 6.689 106 HE2 PHE 18 2HE PHE 18 10.946 -4.689 5.430 107 HZ PHE 18 HZ PHE 18 9.704 -6.358 6.749 108 H SER 19 H SER 19 13.700 -10.542 0.900 109 HA SER 19 HA SER 19 16.587 -10.143 0.470 110 HB2 SER 19 1HB SER 19 16.881 -12.465 0.312 111 HB3 SER 19 2HB SER 19 15.704 -12.294 1.614 112 HG SER 19 HG SER 19 14.096 -12.565 -0.157 113 H GLU 20 H GLU 20 17.428 -10.716 -1.647 114 HA GLU 20 HA GLU 20 15.634 -9.820 -3.749 115 HB2 GLU 20 1HB GLU 20 18.597 -10.232 -3.534 116 HB3 GLU 20 2HB GLU 20 17.841 -10.078 -5.114 117 HG2 GLU 20 1HG GLU 20 16.781 -7.931 -4.065 118 HG3 GLU 20 2HG GLU 20 18.141 -8.057 -2.951 119 H SER 21 H SER 21 16.907 -12.752 -2.533 120 HA SER 21 HA SER 21 17.230 -14.459 -4.587 121 HB2 SER 21 1HB SER 21 16.902 -14.829 -1.951 122 HB3 SER 21 2HB SER 21 15.344 -15.438 -2.507 123 HG SER 21 HG SER 21 17.612 -16.726 -2.494 124 H GLU 22 H GLU 22 14.000 -14.138 -3.112 125 HA GLU 22 HA GLU 22 12.608 -13.576 -5.470 126 HB2 GLU 22 1HB GLU 22 13.534 -16.069 -5.719 127 HB3 GLU 22 2HB GLU 22 12.077 -16.426 -4.801 128 HG2 GLU 22 1HG GLU 22 11.271 -16.609 -6.918 129 HG3 GLU 22 2HG GLU 22 10.948 -14.903 -6.615 130 H THR 23 H THR 23 12.637 -15.074 -2.312 131 HA THR 23 HA THR 23 10.041 -15.366 -1.621 132 HB THR 23 HB THR 23 11.934 -13.882 0.198 133 HG1 THR 23 1HG THR 23 11.830 -16.692 0.129 134 HG21 THR 23 1HG2 THR 23 9.370 -14.650 0.620 135 HG22 THR 23 2HG2 THR 23 10.582 -14.515 1.895 136 HG23 THR 23 3HG2 THR 23 10.235 -16.084 1.171 137 H ARG 24 H ARG 24 11.771 -12.294 -1.879 138 HA ARG 24 HA ARG 24 9.896 -10.571 -0.808 139 HB2 ARG 24 1HB ARG 24 11.966 -9.627 -1.381 140 HB3 ARG 24 2HB ARG 24 11.899 -10.252 -3.024 141 HG2 ARG 24 1HG ARG 24 10.720 -8.498 -3.783 142 HG3 ARG 24 2HG ARG 24 9.750 -8.380 -2.313 143 HD2 ARG 24 1HD ARG 24 11.115 -6.857 -1.394 144 HD3 ARG 24 2HD ARG 24 12.568 -7.698 -1.933 145 HE ARG 24 HE ARG 24 11.250 -5.511 -3.240 146 HH11 ARG 24 2HH1 ARG 24 13.293 -8.292 -3.703 147 HH12 ARG 24 1HH1 ARG 24 14.015 -7.684 -5.155 148 HH21 ARG 24 2HH2 ARG 24 12.193 -4.699 -5.152 149 HH22 ARG 24 1HH2 ARG 24 13.389 -5.639 -5.979 150 H ALA 25 H ALA 25 10.229 -11.419 -4.259 151 HA ALA 25 HA ALA 25 8.116 -10.108 -5.342 152 HB1 ALA 25 1HB ALA 25 9.545 -11.381 -6.750 153 HB2 ALA 25 2HB ALA 25 9.090 -12.889 -5.957 154 HB3 ALA 25 3HB ALA 25 7.915 -12.025 -6.949 155 H LYS 26 H LYS 26 7.885 -13.436 -4.066 156 HA LYS 26 HA LYS 26 5.301 -14.041 -4.321 157 HB2 LYS 26 1HB LYS 26 6.925 -14.340 -1.791 158 HB3 LYS 26 2HB LYS 26 5.390 -15.150 -2.077 159 HG2 LYS 26 1HG LYS 26 6.275 -16.554 -3.678 160 HG3 LYS 26 2HG LYS 26 7.628 -15.476 -4.024 161 HD2 LYS 26 1HD LYS 26 8.155 -16.018 -1.455 162 HD3 LYS 26 2HD LYS 26 7.304 -17.503 -1.889 163 HE2 LYS 26 1HE LYS 26 9.494 -16.437 -3.630 164 HE3 LYS 26 2HE LYS 26 9.876 -17.376 -2.187 165 HZ1 LYS 26 1HZ LYS 26 8.982 -19.268 -3.067 166 HZ2 LYS 26 2HZ LYS 26 9.550 -18.537 -4.484 167 HZ3 LYS 26 3HZ LYS 26 7.909 -18.445 -4.084 168 H PHE 27 H PHE 27 6.559 -11.733 -1.959 169 HA PHE 27 HA PHE 27 4.034 -11.222 -0.738 170 HB2 PHE 27 1HB PHE 27 5.920 -10.737 0.596 171 HB3 PHE 27 2HB PHE 27 6.694 -9.814 -0.688 172 HD1 PHE 27 2HD PHE 27 5.987 -7.536 -1.183 173 HD2 PHE 27 1HD PHE 27 4.250 -9.754 2.008 174 HE1 PHE 27 2HE PHE 27 5.056 -5.459 -0.251 175 HE2 PHE 27 1HE PHE 27 3.316 -7.679 2.946 176 HZ PHE 27 HZ PHE 27 3.719 -5.528 1.817 177 H GLU 28 H GLU 28 6.037 -9.360 -3.021 178 HA GLU 28 HA GLU 28 4.309 -7.219 -3.402 179 HB2 GLU 28 1HB GLU 28 6.644 -8.313 -4.722 180 HB3 GLU 28 2HB GLU 28 5.505 -7.661 -5.892 181 HG2 GLU 28 1HG GLU 28 5.539 -5.517 -4.820 182 HG3 GLU 28 2HG GLU 28 6.531 -6.145 -3.505 183 H SER 29 H SER 29 4.545 -10.231 -5.283 184 HA SER 29 HA SER 29 2.635 -9.779 -7.195 185 HB2 SER 29 1HB SER 29 3.964 -11.800 -7.219 186 HB3 SER 29 2HB SER 29 3.229 -12.351 -5.713 187 HG SER 29 HG SER 29 2.295 -12.508 -8.284 188 H LEU 30 H LEU 30 2.118 -10.959 -3.890 189 HA LEU 30 HA LEU 30 -0.580 -11.495 -3.965 190 HB2 LEU 30 1HB LEU 30 1.092 -10.302 -1.766 191 HB3 LEU 30 2HB LEU 30 -0.582 -10.805 -1.538 192 HG LEU 30 HG LEU 30 1.565 -12.698 -2.466 193 HD11 LEU 30 1HD1 LEU 30 0.623 -12.632 0.357 194 HD12 LEU 30 2HD1 LEU 30 1.888 -11.515 -0.151 195 HD13 LEU 30 3HD1 LEU 30 2.130 -13.253 -0.317 196 HD21 LEU 30 1HD2 LEU 30 0.025 -14.400 -1.770 197 HD22 LEU 30 2HD2 LEU 30 -0.817 -13.289 -2.851 198 HD23 LEU 30 3HD2 LEU 30 -1.079 -13.194 -1.108 199 H PHE 31 H PHE 31 1.026 -8.418 -4.026 200 HA PHE 31 HA PHE 31 -1.500 -6.992 -3.632 201 HB2 PHE 31 1HB PHE 31 1.277 -5.844 -3.970 202 HB3 PHE 31 2HB PHE 31 -0.164 -4.983 -3.439 203 HD1 PHE 31 2HD PHE 31 -1.058 -5.313 -1.202 204 HD2 PHE 31 1HD PHE 31 2.491 -7.284 -2.482 205 HE1 PHE 31 2HE PHE 31 -0.516 -5.850 1.138 206 HE2 PHE 31 1HE PHE 31 3.038 -7.825 -0.144 207 HZ PHE 31 HZ PHE 31 1.534 -7.107 1.669 208 H ARG 32 H ARG 32 1.222 -7.026 -5.935 209 HA ARG 32 HA ARG 32 0.183 -5.375 -7.877 210 HB2 ARG 32 1HB ARG 32 2.442 -6.838 -7.660 211 HB3 ARG 32 2HB ARG 32 1.585 -7.787 -8.867 212 HG2 ARG 32 1HG ARG 32 1.841 -4.831 -9.203 213 HG3 ARG 32 2HG ARG 32 3.189 -5.895 -9.613 214 HD2 ARG 32 1HD ARG 32 1.425 -7.218 -10.963 215 HD3 ARG 32 2HD ARG 32 0.456 -5.752 -10.830 216 HE ARG 32 HE ARG 32 1.769 -4.822 -12.439 217 HH11 ARG 32 2HH1 ARG 32 3.539 -7.418 -10.940 218 HH12 ARG 32 1HH1 ARG 32 4.893 -7.288 -12.013 219 HH21 ARG 32 2HH2 ARG 32 3.546 -4.641 -13.858 220 HH22 ARG 32 1HH2 ARG 32 4.897 -5.708 -13.672 221 H THR 33 H THR 33 -0.525 -8.760 -7.261 222 HA THR 33 HA THR 33 -1.763 -9.631 -9.501 223 HB THR 33 HB THR 33 -1.590 -10.847 -7.280 224 HG1 THR 33 1HG THR 33 -3.748 -10.927 -9.065 225 HG21 THR 33 1HG2 THR 33 -3.720 -10.729 -5.914 226 HG22 THR 33 2HG2 THR 33 -4.086 -9.236 -6.780 227 HG23 THR 33 3HG2 THR 33 -2.640 -9.342 -5.776 228 H TYR 34 H TYR 34 -2.925 -7.160 -7.331 229 HA TYR 34 HA TYR 34 -5.510 -7.036 -8.677 230 HB2 TYR 34 1HB TYR 34 -4.518 -5.249 -6.456 231 HB3 TYR 34 2HB TYR 34 -6.183 -5.522 -6.956 232 HD1 TYR 34 1HD TYR 34 -7.113 -7.911 -6.667 233 HD2 TYR 34 2HD TYR 34 -3.595 -6.511 -4.726 234 HE1 TYR 34 1HE TYR 34 -7.323 -9.708 -5.001 235 HE2 TYR 34 2HE TYR 34 -3.795 -8.305 -3.056 236 HH TYR 34 HH TYR 34 -4.952 -10.070 -2.379 237 H ASP 35 H ASP 35 -3.223 -4.503 -7.655 238 HA ASP 35 HA ASP 35 -3.818 -3.074 -10.151 239 HB2 ASP 35 1HB ASP 35 -4.126 -2.048 -7.767 240 HB3 ASP 35 2HB ASP 35 -2.379 -1.838 -7.829 241 H LYS 36 H LYS 36 -2.157 -2.203 -11.417 242 HA LYS 36 HA LYS 36 0.379 -3.640 -11.176 243 HB2 LYS 36 1HB LYS 36 -0.775 -2.023 -13.456 244 HB3 LYS 36 2HB LYS 36 0.769 -2.867 -13.501 245 HG2 LYS 36 1HG LYS 36 -1.263 -4.696 -12.687 246 HG3 LYS 36 2HG LYS 36 -1.784 -3.861 -14.152 247 HD2 LYS 36 1HD LYS 36 0.671 -4.387 -14.935 248 HD3 LYS 36 2HD LYS 36 0.557 -5.656 -13.713 249 HE2 LYS 36 1HE LYS 36 -0.824 -6.891 -14.971 250 HE3 LYS 36 2HE LYS 36 -1.792 -5.494 -15.436 251 HZ1 LYS 36 1HZ LYS 36 -0.666 -5.249 -17.340 252 HZ2 LYS 36 2HZ LYS 36 -0.204 -6.859 -17.105 253 HZ3 LYS 36 3HZ LYS 36 0.833 -5.604 -16.641 254 H ASP 37 H ASP 37 -0.966 -0.423 -11.080 255 HA ASP 37 HA ASP 37 1.632 0.859 -11.110 256 HB2 ASP 37 1HB ASP 37 -1.077 1.678 -11.528 257 HB3 ASP 37 2HB ASP 37 -0.383 2.663 -10.243 258 H THR 38 H THR 38 1.011 -1.076 -8.994 259 HA THR 38 HA THR 38 0.695 0.498 -6.583 260 HB THR 38 HB THR 38 1.420 -1.941 -5.660 261 HG1 THR 38 1HG THR 38 0.038 -2.467 -8.093 262 HG21 THR 38 1HG2 THR 38 -1.096 -0.577 -6.259 263 HG22 THR 38 2HG2 THR 38 -0.589 -1.427 -4.799 264 HG23 THR 38 3HG2 THR 38 -1.251 -2.330 -6.162 265 H THR 39 H THR 39 2.307 1.416 -5.507 266 HA THR 39 HA THR 39 5.058 0.747 -6.218 267 HB THR 39 HB THR 39 5.722 2.798 -5.240 268 HG1 THR 39 1HG THR 39 4.554 2.754 -3.316 269 HG21 THR 39 1HG2 THR 39 3.383 2.784 -6.995 270 HG22 THR 39 2HG2 THR 39 4.889 3.693 -7.122 271 HG23 THR 39 3HG2 THR 39 3.582 4.289 -6.100 272 H PHE 40 H PHE 40 6.454 -0.258 -4.893 273 HA PHE 40 HA PHE 40 5.516 -0.909 -2.177 274 HB2 PHE 40 1HB PHE 40 7.405 -2.493 -3.932 275 HB3 PHE 40 2HB PHE 40 6.850 -2.956 -2.327 276 HD1 PHE 40 1HD PHE 40 5.548 -2.105 -5.709 277 HD2 PHE 40 2HD PHE 40 5.006 -4.325 -2.118 278 HE1 PHE 40 1HE PHE 40 3.619 -3.255 -6.715 279 HE2 PHE 40 2HE PHE 40 3.078 -5.480 -3.119 280 HZ PHE 40 HZ PHE 40 2.382 -4.945 -5.421 281 H GLN 41 H GLN 41 6.651 -0.109 -0.544 282 HA GLN 41 HA GLN 41 9.433 0.725 -1.046 283 HB2 GLN 41 1HB GLN 41 7.212 2.268 -0.157 284 HB3 GLN 41 2HB GLN 41 8.344 2.135 1.182 285 HG2 GLN 41 1HG GLN 41 10.015 3.252 0.061 286 HG3 GLN 41 2HG GLN 41 9.345 2.878 -1.526 287 HE21 GLN 41 2HE2 GLN 41 8.806 4.703 -2.478 288 HE22 GLN 41 1HE2 GLN 41 7.947 6.015 -1.752 289 H TYR 42 H TYR 42 10.679 -0.783 -0.131 290 HA TYR 42 HA TYR 42 9.871 -2.070 2.345 291 HB2 TYR 42 1HB TYR 42 12.229 -2.484 0.503 292 HB3 TYR 42 2HB TYR 42 12.001 -3.381 2.000 293 HD1 TYR 42 1HD TYR 42 10.554 -2.735 -1.343 294 HD2 TYR 42 2HD TYR 42 10.510 -5.220 2.110 295 HE1 TYR 42 1HE TYR 42 9.150 -4.362 -2.540 296 HE2 TYR 42 2HE TYR 42 9.105 -6.854 0.922 297 HH TYR 42 HH TYR 42 8.231 -6.397 -2.481 298 H PHE 43 H PHE 43 10.578 -1.534 4.307 299 HA PHE 43 HA PHE 43 12.834 0.353 4.498 300 HB2 PHE 43 1HB PHE 43 10.492 0.077 6.393 301 HB3 PHE 43 2HB PHE 43 11.795 1.255 6.513 302 HD1 PHE 43 1HD PHE 43 12.085 2.274 3.840 303 HD2 PHE 43 2HD PHE 43 8.542 1.210 5.946 304 HE1 PHE 43 1HE PHE 43 10.793 3.847 2.456 305 HE2 PHE 43 2HE PHE 43 7.245 2.779 4.565 306 HZ PHE 43 HZ PHE 43 8.370 4.099 2.816 307 H LYS 44 H LYS 44 14.486 -1.075 4.845 308 HA LYS 44 HA LYS 44 14.363 -3.343 6.507 309 HB2 LYS 44 1HB LYS 44 16.115 -2.676 4.713 310 HB3 LYS 44 2HB LYS 44 16.901 -1.808 6.025 311 HG2 LYS 44 1HG LYS 44 17.657 -3.688 6.990 312 HG3 LYS 44 2HG LYS 44 16.184 -4.591 6.631 313 HD2 LYS 44 1HD LYS 44 16.894 -5.056 4.424 314 HD3 LYS 44 2HD LYS 44 18.199 -3.871 4.516 315 HE2 LYS 44 1HE LYS 44 19.561 -5.512 5.140 316 HE3 LYS 44 2HE LYS 44 18.637 -5.645 6.636 317 HZ1 LYS 44 1HZ LYS 44 18.685 -7.392 4.349 318 HZ2 LYS 44 2HZ LYS 44 17.122 -7.022 4.880 319 HZ3 LYS 44 3HZ LYS 44 18.236 -7.715 5.948 320 H SER 45 H SER 45 14.733 0.007 7.209 321 HA SER 45 HA SER 45 16.021 -0.258 9.734 322 HB2 SER 45 1HB SER 45 14.381 1.984 8.538 323 HB3 SER 45 2HB SER 45 15.222 2.102 10.084 324 HG SER 45 HG SER 45 17.142 1.443 8.772 325 H PHE 46 H PHE 46 12.664 -0.123 8.680 326 HA PHE 46 HA PHE 46 11.838 -0.717 11.445 327 HB2 PHE 46 1HB PHE 46 10.167 0.620 9.309 328 HB3 PHE 46 2HB PHE 46 9.722 0.373 10.995 329 HD1 PHE 46 1HD PHE 46 11.581 1.362 12.684 330 HD2 PHE 46 2HD PHE 46 10.813 2.731 8.728 331 HE1 PHE 46 1HE PHE 46 12.547 3.550 13.258 332 HE2 PHE 46 2HE PHE 46 11.778 4.923 9.295 333 HZ PHE 46 HZ PHE 46 12.648 5.334 11.562 334 H LYS 47 H LYS 47 12.607 -2.437 9.047 335 HA LYS 47 HA LYS 47 11.780 -4.222 7.833 336 HB2 LYS 47 1HB LYS 47 10.961 -4.689 10.693 337 HB3 LYS 47 2HB LYS 47 10.713 -5.908 9.450 338 HG2 LYS 47 1HG LYS 47 13.423 -4.720 9.781 339 HG3 LYS 47 2HG LYS 47 12.860 -5.925 10.943 340 HD2 LYS 47 1HD LYS 47 12.534 -7.542 9.209 341 HD3 LYS 47 2HD LYS 47 12.832 -6.335 7.956 342 HE2 LYS 47 1HE LYS 47 14.853 -7.461 8.062 343 HE3 LYS 47 2HE LYS 47 15.137 -6.069 9.106 344 HZ1 LYS 47 1HZ LYS 47 15.565 -7.430 10.779 345 HZ2 LYS 47 2HZ LYS 47 15.373 -8.762 9.755 346 HZ3 LYS 47 3HZ LYS 47 14.052 -8.170 10.630 347 H ARG 48 H ARG 48 10.073 -2.028 7.490 348 HA ARG 48 HA ARG 48 7.409 -3.284 7.528 349 HB2 ARG 48 1HB ARG 48 8.329 -0.583 8.125 350 HB3 ARG 48 2HB ARG 48 7.027 -0.601 6.944 351 HG2 ARG 48 1HG ARG 48 5.711 -2.013 8.525 352 HG3 ARG 48 2HG ARG 48 6.985 -1.757 9.719 353 HD2 ARG 48 1HD ARG 48 5.619 0.541 8.356 354 HD3 ARG 48 2HD ARG 48 4.935 -0.218 9.793 355 HE ARG 48 HE ARG 48 7.650 0.475 10.218 356 HH11 ARG 48 2HH1 ARG 48 4.459 1.850 9.987 357 HH12 ARG 48 1HH1 ARG 48 4.825 3.201 11.008 358 HH21 ARG 48 2HH2 ARG 48 8.144 2.249 11.563 359 HH22 ARG 48 1HH2 ARG 48 6.922 3.428 11.903 360 H VAL 49 H VAL 49 5.974 -2.477 5.691 361 HA VAL 49 HA VAL 49 7.466 -2.026 3.213 362 HB VAL 49 HB VAL 49 5.399 -4.211 3.485 363 HG11 VAL 49 1HG1 VAL 49 6.639 -4.724 1.174 364 HG12 VAL 49 2HG1 VAL 49 5.211 -3.692 1.286 365 HG13 VAL 49 3HG1 VAL 49 6.819 -2.971 1.205 366 HG21 VAL 49 1HG2 VAL 49 8.385 -4.457 3.129 367 HG22 VAL 49 2HG2 VAL 49 7.510 -4.769 4.629 368 HG23 VAL 49 3HG2 VAL 49 7.226 -5.784 3.215 369 H ARG 50 H ARG 50 6.629 -0.092 2.680 370 HA ARG 50 HA ARG 50 3.805 0.460 3.032 371 HB2 ARG 50 1HB ARG 50 5.767 2.107 3.397 372 HB3 ARG 50 2HB ARG 50 5.764 2.270 1.647 373 HG2 ARG 50 1HG ARG 50 3.217 2.747 1.992 374 HG3 ARG 50 2HG ARG 50 3.726 3.139 3.635 375 HD2 ARG 50 1HD ARG 50 5.182 4.301 1.297 376 HD3 ARG 50 2HD ARG 50 3.650 5.001 1.818 377 HE ARG 50 HE ARG 50 5.539 4.658 3.953 378 HH11 ARG 50 2HH1 ARG 50 4.485 6.751 1.379 379 HH12 ARG 50 1HH1 ARG 50 5.121 8.187 2.111 380 HH21 ARG 50 2HH2 ARG 50 6.382 6.541 4.927 381 HH22 ARG 50 1HH2 ARG 50 6.201 8.067 4.128 382 H ILE 51 H ILE 51 2.384 -0.193 1.568 383 HA ILE 51 HA ILE 51 3.215 -0.308 -1.256 384 HB ILE 51 HB ILE 51 0.908 -1.791 0.003 385 HG12 ILE 51 1HG1 ILE 51 3.048 -3.502 -0.846 386 HG13 ILE 51 2HG1 ILE 51 3.686 -2.296 0.267 387 HG21 ILE 51 1HG2 ILE 51 2.262 -2.510 -2.562 388 HG22 ILE 51 2HG2 ILE 51 0.621 -2.863 -2.023 389 HG23 ILE 51 3HG2 ILE 51 1.049 -1.230 -2.533 390 HD11 ILE 51 1HD1 ILE 51 2.007 -4.603 0.779 391 HD12 ILE 51 2HD1 ILE 51 3.004 -3.655 1.883 392 HD13 ILE 51 3HD1 ILE 51 1.368 -3.123 1.493 393 H ASN 52 H ASN 52 2.483 1.340 -2.414 394 HA ASN 52 HA ASN 52 -0.031 2.634 -1.637 395 HB2 ASN 52 1HB ASN 52 1.920 3.670 -3.687 396 HB3 ASN 52 2HB ASN 52 0.709 4.570 -2.777 397 HD21 ASN 52 2HD2 ASN 52 3.665 4.848 -3.075 398 HD22 ASN 52 1HD2 ASN 52 4.268 4.900 -1.456 399 H PHE 53 H PHE 53 -1.784 2.684 -2.944 400 HA PHE 53 HA PHE 53 -1.579 1.222 -5.492 401 HB2 PHE 53 1HB PHE 53 -4.019 1.569 -3.739 402 HB3 PHE 53 2HB PHE 53 -3.917 0.600 -5.205 403 HD1 PHE 53 1HD PHE 53 -2.091 0.940 -1.965 404 HD2 PHE 53 2HD PHE 53 -3.720 -1.659 -4.916 405 HE1 PHE 53 1HE PHE 53 -1.407 -1.006 -0.624 406 HE2 PHE 53 2HE PHE 53 -3.039 -3.609 -3.578 407 HZ PHE 53 HZ PHE 53 -1.882 -3.284 -1.429 408 H SER 54 H SER 54 -3.799 1.853 -6.786 409 HA SER 54 HA SER 54 -3.509 4.736 -7.249 410 HB2 SER 54 1HB SER 54 -3.079 3.583 -9.257 411 HB3 SER 54 2HB SER 54 -4.404 2.448 -8.992 412 HG SER 54 HG SER 54 -5.022 3.962 -10.531 413 H ASN 55 H ASN 55 -5.635 2.458 -5.932 414 HA ASN 55 HA ASN 55 -7.684 4.496 -5.619 415 HB2 ASN 55 1HB ASN 55 -9.491 2.915 -6.306 416 HB3 ASN 55 2HB ASN 55 -8.443 3.403 -7.636 417 HD21 ASN 55 2HD2 ASN 55 -7.340 1.894 -8.737 418 HD22 ASN 55 1HD2 ASN 55 -7.380 0.202 -8.386 419 HA PRO 56 HA PRO 56 -8.004 2.745 -1.603 420 HB2 PRO 56 1HB PRO 56 -10.553 3.429 -0.970 421 HB3 PRO 56 2HB PRO 56 -9.232 4.601 -1.035 422 HG2 PRO 56 1HG PRO 56 -11.334 3.998 -3.080 423 HG3 PRO 56 2HG PRO 56 -10.710 5.570 -2.547 424 HD2 PRO 56 1HD PRO 56 -9.903 4.385 -4.844 425 HD3 PRO 56 2HD PRO 56 -8.832 5.415 -3.873 426 H LEU 57 H LEU 57 -10.463 1.942 -3.988 427 HA LEU 57 HA LEU 57 -11.887 -0.029 -2.700 428 HB2 LEU 57 1HB LEU 57 -11.002 0.125 -5.573 429 HB3 LEU 57 2HB LEU 57 -12.163 -1.058 -4.971 430 HG LEU 57 HG LEU 57 -12.642 1.888 -4.656 431 HD11 LEU 57 1HD1 LEU 57 -12.776 2.114 -6.862 432 HD12 LEU 57 2HD1 LEU 57 -14.173 1.040 -6.805 433 HD13 LEU 57 3HD1 LEU 57 -12.569 0.382 -7.126 434 HD21 LEU 57 1HD2 LEU 57 -13.958 0.060 -3.440 435 HD22 LEU 57 2HD2 LEU 57 -14.637 -0.325 -5.022 436 HD23 LEU 57 3HD2 LEU 57 -14.875 1.279 -4.326 437 H SER 58 H SER 58 -9.172 -0.716 -4.912 438 HA SER 58 HA SER 58 -8.839 -3.379 -4.282 439 HB2 SER 58 1HB SER 58 -7.431 -1.438 -5.780 440 HB3 SER 58 2HB SER 58 -6.252 -2.199 -4.711 441 HG SER 58 HG SER 58 -8.060 -3.828 -6.095 442 H ALA 59 H ALA 59 -7.088 -0.622 -2.856 443 HA ALA 59 HA ALA 59 -5.412 -1.749 -1.102 444 HB1 ALA 59 1HB ALA 59 -5.739 0.126 0.394 445 HB2 ALA 59 2HB ALA 59 -5.810 0.674 -1.281 446 HB3 ALA 59 3HB ALA 59 -7.297 0.482 -0.352 447 H ALA 60 H ALA 60 -8.904 -1.794 -0.846 448 HA ALA 60 HA ALA 60 -8.952 -2.853 1.821 449 HB1 ALA 60 1HB ALA 60 -11.403 -3.446 0.717 450 HB2 ALA 60 2HB ALA 60 -10.988 -1.970 1.591 451 HB3 ALA 60 3HB ALA 60 -10.897 -2.007 -0.170 452 H ASP 61 H ASP 61 -9.973 -4.263 -1.297 453 HA ASP 61 HA ASP 61 -10.333 -6.861 -0.505 454 HB2 ASP 61 1HB ASP 61 -9.965 -5.482 -2.998 455 HB3 ASP 61 2HB ASP 61 -9.085 -7.008 -3.040 456 H ALA 62 H ALA 62 -7.305 -5.233 -1.260 457 HA ALA 62 HA ALA 62 -5.623 -7.475 -1.308 458 HB1 ALA 62 1HB ALA 62 -4.054 -5.954 -1.720 459 HB2 ALA 62 2HB ALA 62 -5.312 -4.726 -1.565 460 HB3 ALA 62 3HB ALA 62 -4.325 -5.158 -0.169 461 H ARG 63 H ARG 63 -6.831 -5.522 1.360 462 HA ARG 63 HA ARG 63 -5.151 -6.605 3.364 463 HB2 ARG 63 1HB ARG 63 -6.456 -4.479 3.562 464 HB3 ARG 63 2HB ARG 63 -7.919 -5.443 3.713 465 HG2 ARG 63 1HG ARG 63 -6.935 -6.511 5.729 466 HG3 ARG 63 2HG ARG 63 -5.580 -5.389 5.605 467 HD2 ARG 63 1HD ARG 63 -7.070 -4.443 7.173 468 HD3 ARG 63 2HD ARG 63 -7.280 -3.524 5.683 469 HE ARG 63 HE ARG 63 -9.155 -5.589 5.689 470 HH11 ARG 63 2HH1 ARG 63 -8.426 -2.694 7.480 471 HH12 ARG 63 1HH1 ARG 63 -10.074 -2.396 7.922 472 HH21 ARG 63 2HH2 ARG 63 -11.329 -5.208 6.266 473 HH22 ARG 63 1HH2 ARG 63 -11.725 -3.827 7.233 474 H LEU 64 H LEU 64 -8.545 -7.308 2.523 475 HA LEU 64 HA LEU 64 -8.959 -9.371 4.341 476 HB2 LEU 64 1HB LEU 64 -10.949 -9.647 3.323 477 HB3 LEU 64 2HB LEU 64 -10.504 -8.127 2.550 478 HG LEU 64 HG LEU 64 -9.527 -9.641 0.687 479 HD11 LEU 64 1HD1 LEU 64 -11.618 -11.595 1.283 480 HD12 LEU 64 2HD1 LEU 64 -10.252 -11.639 2.397 481 HD13 LEU 64 3HD1 LEU 64 -9.983 -11.830 0.665 482 HD21 LEU 64 1HD2 LEU 64 -11.661 -8.168 0.749 483 HD22 LEU 64 2HD2 LEU 64 -12.512 -9.709 0.862 484 HD23 LEU 64 3HD2 LEU 64 -11.478 -9.372 -0.527 485 H ARG 65 H ARG 65 -7.636 -9.468 1.063 486 HA ARG 65 HA ARG 65 -7.410 -12.310 0.972 487 HB2 ARG 65 1HB ARG 65 -6.546 -10.028 -0.719 488 HB3 ARG 65 2HB ARG 65 -5.645 -11.528 -0.895 489 HG2 ARG 65 1HG ARG 65 -8.380 -12.210 -0.910 490 HG3 ARG 65 2HG ARG 65 -8.182 -10.819 -1.977 491 HD2 ARG 65 1HD ARG 65 -6.913 -11.969 -3.464 492 HD3 ARG 65 2HD ARG 65 -6.165 -12.965 -2.217 493 HE ARG 65 HE ARG 65 -8.794 -13.773 -2.348 494 HH11 ARG 65 2HH1 ARG 65 -6.084 -13.610 -4.527 495 HH12 ARG 65 1HH1 ARG 65 -6.594 -14.970 -5.471 496 HH21 ARG 65 2HH2 ARG 65 -9.476 -15.566 -3.583 497 HH22 ARG 65 1HH2 ARG 65 -8.524 -16.080 -4.934 498 H LEU 66 H LEU 66 -5.670 -9.922 2.587 499 HA LEU 66 HA LEU 66 -3.463 -11.806 3.056 500 HB2 LEU 66 1HB LEU 66 -3.062 -8.832 2.947 501 HB3 LEU 66 2HB LEU 66 -1.838 -10.099 2.975 502 HG LEU 66 HG LEU 66 -3.719 -9.751 0.656 503 HD11 LEU 66 1HD1 LEU 66 -0.995 -8.504 0.991 504 HD12 LEU 66 2HD1 LEU 66 -2.530 -7.636 1.013 505 HD13 LEU 66 3HD1 LEU 66 -1.999 -8.452 -0.458 506 HD21 LEU 66 1HD2 LEU 66 -2.311 -11.865 1.098 507 HD22 LEU 66 2HD2 LEU 66 -0.938 -10.864 0.627 508 HD23 LEU 66 3HD2 LEU 66 -2.260 -11.137 -0.507 509 H HIS 67 H HIS 67 -2.217 -9.715 4.791 510 HA HIS 67 HA HIS 67 -2.404 -8.809 6.904 511 HB2 HIS 67 1HB HIS 67 -4.951 -8.642 6.222 512 HB3 HIS 67 2HB HIS 67 -5.115 -9.993 7.339 513 HD1 HIS 67 1HD HIS 67 -2.483 -7.901 8.570 514 HD2 HIS 67 2HD HIS 67 -6.634 -7.786 8.686 515 HE1 HIS 67 1HE HIS 67 -3.059 -6.335 10.451 516 H LYS 68 H LYS 68 -4.082 -10.309 8.938 517 HA LYS 68 HA LYS 68 -2.297 -11.788 10.245 518 HB2 LYS 68 1HB LYS 68 -5.215 -12.435 9.840 519 HB3 LYS 68 2HB LYS 68 -4.201 -13.296 10.990 520 HG2 LYS 68 1HG LYS 68 -4.596 -11.734 12.501 521 HG3 LYS 68 2HG LYS 68 -3.847 -10.528 11.451 522 HD2 LYS 68 1HD LYS 68 -6.040 -9.753 11.936 523 HD3 LYS 68 2HD LYS 68 -6.062 -10.336 10.271 524 HE2 LYS 68 1HE LYS 68 -6.819 -12.165 12.513 525 HE3 LYS 68 2HE LYS 68 -7.984 -10.991 11.903 526 HZ1 LYS 68 1HZ LYS 68 -6.861 -13.352 10.587 527 HZ2 LYS 68 2HZ LYS 68 -7.244 -12.018 9.620 528 HZ3 LYS 68 3HZ LYS 68 -8.443 -12.752 10.562 529 H THR 69 H THR 69 -3.943 -12.806 7.328 530 HA THR 69 HA THR 69 -3.687 -15.440 7.102 531 HB THR 69 HB THR 69 -3.116 -15.230 4.743 532 HG1 THR 69 1HG THR 69 -2.338 -12.609 5.516 533 HG21 THR 69 1HG2 THR 69 -5.229 -14.583 4.468 534 HG22 THR 69 2HG2 THR 69 -4.717 -12.903 4.625 535 HG23 THR 69 3HG2 THR 69 -5.221 -13.807 6.051 536 H GLU 70 H GLU 70 -2.194 -16.946 7.440 537 HA GLU 70 HA GLU 70 0.442 -16.322 8.226 538 HB2 GLU 70 1HB GLU 70 -1.218 -18.655 8.076 539 HB3 GLU 70 2HB GLU 70 0.359 -19.027 7.394 540 HG2 GLU 70 1HG GLU 70 1.447 -18.294 9.427 541 HG3 GLU 70 2HG GLU 70 -0.106 -17.821 10.112 542 H PHE 71 H PHE 71 1.428 -15.115 6.600 543 HA PHE 71 HA PHE 71 1.677 -16.185 3.930 544 HB2 PHE 71 1HB PHE 71 1.543 -13.835 3.987 545 HB3 PHE 71 2HB PHE 71 2.703 -13.714 5.305 546 HD1 PHE 71 2HD PHE 71 5.102 -14.005 4.876 547 HD2 PHE 71 1HD PHE 71 2.251 -13.983 1.717 548 HE1 PHE 71 2HE PHE 71 6.911 -13.632 3.251 549 HE2 PHE 71 1HE PHE 71 4.055 -13.610 0.086 550 HZ PHE 71 HZ PHE 71 6.388 -13.433 0.853 551 H LEU 72 H LEU 72 3.091 -17.709 3.425 552 HA LEU 72 HA LEU 72 4.930 -19.048 3.425 553 HB2 LEU 72 1HB LEU 72 6.041 -16.355 4.080 554 HB3 LEU 72 2HB LEU 72 7.101 -17.763 4.109 555 HG LEU 72 HG LEU 72 7.305 -16.617 1.995 556 HD11 LEU 72 1HD1 LEU 72 6.561 -19.342 2.300 557 HD12 LEU 72 2HD1 LEU 72 7.619 -18.613 1.092 558 HD13 LEU 72 3HD1 LEU 72 5.888 -18.747 0.781 559 HD21 LEU 72 1HD2 LEU 72 4.561 -17.239 1.113 560 HD22 LEU 72 2HD2 LEU 72 5.594 -15.861 0.732 561 HD23 LEU 72 3HD2 LEU 72 4.721 -15.914 2.265 562 H GLY 73 H GLY 73 3.310 -19.004 5.812 563 HA2 GLY 73 1HA GLY 73 3.500 -20.331 7.736 564 HA3 GLY 73 2HA GLY 73 5.250 -20.209 7.621 565 H LYS 74 H LYS 74 4.729 -17.179 7.243 566 HA LYS 74 HA LYS 74 4.548 -16.602 10.124 567 HB2 LYS 74 1HB LYS 74 5.990 -15.144 7.906 568 HB3 LYS 74 2HB LYS 74 5.814 -14.507 9.536 569 HG2 LYS 74 1HG LYS 74 7.041 -17.194 9.056 570 HG3 LYS 74 2HG LYS 74 7.991 -15.714 8.915 571 HD2 LYS 74 1HD LYS 74 8.328 -15.901 11.117 572 HD3 LYS 74 2HD LYS 74 6.652 -15.382 11.302 573 HE2 LYS 74 1HE LYS 74 6.101 -17.895 11.001 574 HE3 LYS 74 2HE LYS 74 7.801 -18.146 11.397 575 HZ1 LYS 74 1HZ LYS 74 7.290 -17.935 13.525 576 HZ2 LYS 74 2HZ LYS 74 5.664 -17.670 13.143 577 HZ3 LYS 74 3HZ LYS 74 6.729 -16.361 13.262 578 H GLU 75 H GLU 75 3.291 -14.895 10.856 579 HA GLU 75 HA GLU 75 1.106 -14.158 9.091 580 HB2 GLU 75 1HB GLU 75 0.322 -14.784 11.202 581 HB3 GLU 75 2HB GLU 75 1.607 -13.924 12.040 582 HG2 GLU 75 1HG GLU 75 0.566 -11.879 11.819 583 HG3 GLU 75 2HG GLU 75 -0.402 -12.404 10.442 584 H MET 76 H MET 76 0.813 -12.217 8.178 585 HA MET 76 HA MET 76 2.717 -10.083 8.880 586 HB2 MET 76 1HB MET 76 3.193 -10.635 6.662 587 HB3 MET 76 2HB MET 76 1.502 -10.909 6.266 588 HG2 MET 76 1HG MET 76 2.036 -8.174 7.087 589 HG3 MET 76 2HG MET 76 2.969 -8.665 5.675 590 HE1 MET 76 1HE MET 76 0.717 -9.671 3.082 591 HE2 MET 76 2HE MET 76 1.743 -10.500 4.253 592 HE3 MET 76 3HE MET 76 -0.006 -10.729 4.294 593 H LYS 77 H LYS 77 1.977 -8.033 9.256 594 HA LYS 77 HA LYS 77 -0.918 -7.780 9.634 595 HB2 LYS 77 1HB LYS 77 1.428 -6.808 11.040 596 HB3 LYS 77 2HB LYS 77 0.313 -5.499 10.670 597 HG2 LYS 77 1HG LYS 77 -1.393 -6.423 11.943 598 HG3 LYS 77 2HG LYS 77 -0.668 -8.032 11.922 599 HD2 LYS 77 1HD LYS 77 0.742 -7.566 13.638 600 HD3 LYS 77 2HD LYS 77 0.931 -5.876 13.165 601 HE2 LYS 77 1HE LYS 77 -0.757 -5.196 14.481 602 HE3 LYS 77 2HE LYS 77 -1.767 -6.580 14.064 603 HZ1 LYS 77 1HZ LYS 77 0.294 -6.368 16.165 604 HZ2 LYS 77 2HZ LYS 77 -0.170 -7.878 15.561 605 HZ3 LYS 77 3HZ LYS 77 -1.312 -6.877 16.303 606 H LEU 78 H LEU 78 -1.833 -5.555 9.228 607 HA LEU 78 HA LEU 78 -0.543 -4.051 7.107 608 HB2 LEU 78 1HB LEU 78 -3.192 -5.437 6.736 609 HB3 LEU 78 2HB LEU 78 -2.575 -4.177 5.671 610 HG LEU 78 HG LEU 78 -1.082 -6.744 6.135 611 HD11 LEU 78 1HD1 LEU 78 -2.205 -7.824 4.448 612 HD12 LEU 78 2HD1 LEU 78 -2.804 -6.325 3.737 613 HD13 LEU 78 3HD1 LEU 78 -3.521 -6.944 5.225 614 HD21 LEU 78 1HD2 LEU 78 0.346 -6.000 4.580 615 HD22 LEU 78 2HD2 LEU 78 -0.340 -4.412 4.924 616 HD23 LEU 78 3HD2 LEU 78 -0.946 -5.358 3.563 617 H TYR 79 H TYR 79 -0.993 -1.936 7.251 618 HA TYR 79 HA TYR 79 -3.311 -1.123 8.876 619 HB2 TYR 79 1HB TYR 79 -0.473 -0.137 8.963 620 HB3 TYR 79 2HB TYR 79 -1.801 0.888 9.496 621 HD1 TYR 79 2HD TYR 79 -0.122 -2.362 10.113 622 HD2 TYR 79 1HD TYR 79 -2.755 0.614 11.633 623 HE1 TYR 79 2HE TYR 79 -0.064 -3.446 12.320 624 HE2 TYR 79 1HE TYR 79 -2.705 -0.461 13.844 625 HH TYR 79 HH TYR 79 -1.783 -3.478 14.400 626 H PHE 80 H PHE 80 -4.258 0.906 8.348 627 HA PHE 80 HA PHE 80 -4.091 1.505 5.515 628 HB2 PHE 80 1HB PHE 80 -6.021 2.017 7.700 629 HB3 PHE 80 2HB PHE 80 -5.938 3.249 6.446 630 HD1 PHE 80 1HD PHE 80 -5.556 1.831 4.005 631 HD2 PHE 80 2HD PHE 80 -7.890 0.728 7.388 632 HE1 PHE 80 1HE PHE 80 -6.995 0.456 2.559 633 HE2 PHE 80 2HE PHE 80 -9.334 -0.650 5.948 634 HZ PHE 80 HZ PHE 80 -8.887 -0.787 3.530 635 H ALA 81 H ALA 81 -2.552 2.855 4.863 636 HA ALA 81 HA ALA 81 -1.329 4.792 6.554 637 HB1 ALA 81 1HB ALA 81 0.016 3.865 4.847 638 HB2 ALA 81 2HB ALA 81 -1.160 4.270 3.596 639 HB3 ALA 81 3HB ALA 81 -0.249 5.549 4.398 640 H GLN 82 H GLN 82 -1.057 7.115 5.469 641 HA GLN 82 HA GLN 82 -3.150 8.328 4.106 642 HB2 GLN 82 1HB GLN 82 -3.814 7.706 6.828 643 HB3 GLN 82 2HB GLN 82 -3.742 9.453 6.634 644 HG2 GLN 82 1HG GLN 82 -5.548 9.521 5.280 645 HG3 GLN 82 2HG GLN 82 -5.204 7.951 4.556 646 HE21 GLN 82 2HE2 GLN 82 -7.640 9.214 5.814 647 HE22 GLN 82 1HE2 GLN 82 -8.190 8.034 6.950 648 H THR 83 H THR 83 -2.552 10.339 3.537 649 HA THR 83 HA THR 83 -0.083 11.377 4.671 650 HB THR 83 HB THR 83 -0.258 11.324 2.245 651 HG1 THR 83 1HG THR 83 0.056 13.673 3.669 652 HG21 THR 83 1HG2 THR 83 -2.178 13.498 1.966 653 HG22 THR 83 2HG2 THR 83 -2.897 12.034 2.636 654 HG23 THR 83 3HG2 THR 83 -2.060 11.976 1.085 655 H LEU 84 H LEU 84 -0.249 12.611 6.428 656 HA LEU 84 HA LEU 84 -0.929 14.211 7.893 657 HB2 LEU 84 1HB LEU 84 -1.499 15.337 5.219 658 HB3 LEU 84 2HB LEU 84 -2.260 16.141 6.591 659 HG LEU 84 HG LEU 84 0.295 15.995 7.463 660 HD11 LEU 84 1HD1 LEU 84 1.126 15.003 5.413 661 HD12 LEU 84 2HD1 LEU 84 1.759 16.638 5.601 662 HD13 LEU 84 3HD1 LEU 84 0.441 16.327 4.470 663 HD21 LEU 84 1HD2 LEU 84 -1.220 17.963 7.365 664 HD22 LEU 84 2HD2 LEU 84 -0.770 18.174 5.673 665 HD23 LEU 84 3HD2 LEU 84 0.451 18.331 6.936 666 H HIS 85 H HIS 85 -3.001 15.605 8.507 667 HA HIS 85 HA HIS 85 -5.176 13.671 8.673 668 HB2 HIS 85 1HB HIS 85 -4.751 16.297 10.113 669 HB3 HIS 85 2HB HIS 85 -6.081 15.182 10.412 670 HD1 HIS 85 1HD HIS 85 -2.790 16.005 11.587 671 HD2 HIS 85 2HD HIS 85 -5.050 12.530 11.313 672 HE1 HIS 85 1HE HIS 85 -1.715 14.377 13.174 673 H ILE 86 H ILE 86 -7.448 14.714 8.710 674 HA ILE 86 HA ILE 86 -7.669 16.594 6.450 675 HB ILE 86 HB ILE 86 -9.537 15.454 5.580 676 HG12 ILE 86 1HG1 ILE 86 -10.598 14.996 7.795 677 HG13 ILE 86 2HG1 ILE 86 -10.691 13.639 6.677 678 HG21 ILE 86 1HG2 ILE 86 -8.431 12.905 5.973 679 HG22 ILE 86 2HG2 ILE 86 -8.141 14.012 4.634 680 HG23 ILE 86 3HG2 ILE 86 -7.087 14.043 6.046 681 HD11 ILE 86 1HD1 ILE 86 -9.287 13.887 9.246 682 HD12 ILE 86 2HD1 ILE 86 -10.016 12.479 8.474 683 HD13 ILE 86 3HD1 ILE 86 -8.417 13.029 7.974 684 H GLY 87 H GLY 87 -8.724 15.663 9.614 685 HA2 GLY 87 1HA GLY 87 -9.853 18.225 10.119 686 HA3 GLY 87 2HA GLY 87 -11.117 17.027 9.889 687 H SER 88 H SER 88 -7.960 16.528 11.392 688 HA SER 88 HA SER 88 -9.356 15.710 13.843 689 HB2 SER 88 1HB SER 88 -7.713 14.146 14.206 690 HB3 SER 88 2HB SER 88 -7.616 14.247 12.448 691 HG SER 88 HG SER 88 -5.825 15.514 12.616 692 H SER 89 H SER 89 -9.372 17.120 15.450 693 HA SER 89 HA SER 89 -6.978 18.458 16.297 694 HB2 SER 89 1HB SER 89 -7.763 19.953 14.468 695 HB3 SER 89 2HB SER 89 -9.284 20.169 15.334 696 HG SER 89 HG SER 89 -8.055 21.850 15.975 697 H HIS 90 H HIS 90 -7.134 19.294 18.391 698 HA HIS 90 HA HIS 90 -9.359 18.234 19.924 699 HB2 HIS 90 1HB HIS 90 -6.861 18.079 20.558 700 HB3 HIS 90 2HB HIS 90 -7.027 19.759 21.062 701 HD1 HIS 90 1HD HIS 90 -7.335 16.409 22.315 702 HD2 HIS 90 2HD HIS 90 -9.213 20.035 23.081 703 HE1 HIS 90 1HE HIS 90 -8.434 16.136 24.560 704 H LEU 91 H LEU 91 -7.707 21.383 19.645 705 HA LEU 91 HA LEU 91 -9.766 22.772 21.057 706 HB2 LEU 91 1HB LEU 91 -7.226 23.434 19.739 707 HB3 LEU 91 2HB LEU 91 -8.431 24.720 19.710 708 HG LEU 91 HG LEU 91 -6.758 24.787 21.602 709 HD11 LEU 91 1HD1 LEU 91 -9.724 24.817 21.984 710 HD12 LEU 91 2HD1 LEU 91 -8.595 26.167 21.891 711 HD13 LEU 91 3HD1 LEU 91 -8.640 25.154 23.334 712 HD21 LEU 91 1HD2 LEU 91 -8.267 22.963 23.260 713 HD22 LEU 91 2HD2 LEU 91 -6.525 23.084 23.013 714 HD23 LEU 91 3HD2 LEU 91 -7.508 22.128 21.904 715 H ALA 92 H ALA 92 -10.909 24.669 20.069 716 HA ALA 92 HA ALA 92 -11.364 25.141 17.422 717 HB1 ALA 92 1HB ALA 92 -13.698 23.698 17.501 718 HB2 ALA 92 2HB ALA 92 -12.235 23.246 16.627 719 HB3 ALA 92 3HB ALA 92 -12.532 22.601 18.241 720 HA PRO 93 HA PRO 93 -15.378 26.460 19.742 721 HB2 PRO 93 1HB PRO 93 -15.800 25.445 22.224 722 HB3 PRO 93 2HB PRO 93 -16.363 24.646 20.751 723 HG2 PRO 93 1HG PRO 93 -13.930 24.079 22.401 724 HG3 PRO 93 2HG PRO 93 -15.077 22.941 21.671 725 HD2 PRO 93 1HD PRO 93 -12.669 23.496 20.564 726 HD3 PRO 93 2HD PRO 93 -14.099 23.097 19.589 727 HA PRO 94 HA PRO 94 -13.405 29.633 22.075 728 HB2 PRO 94 1HB PRO 94 -15.580 30.904 23.085 729 HB3 PRO 94 2HB PRO 94 -15.108 31.011 21.385 730 HG2 PRO 94 1HG PRO 94 -17.196 29.290 22.666 731 HG3 PRO 94 2HG PRO 94 -17.280 30.211 21.154 732 HD2 PRO 94 1HD PRO 94 -16.823 27.542 21.212 733 HD3 PRO 94 2HD PRO 94 -16.134 28.602 19.965 734 H ASN 95 H ASN 95 -13.821 30.774 24.362 735 HA ASN 95 HA ASN 95 -14.260 28.659 26.360 736 HB2 ASN 95 1HB ASN 95 -11.865 30.310 25.881 737 HB3 ASN 95 2HB ASN 95 -12.378 30.224 27.564 738 HD21 ASN 95 2HD2 ASN 95 -11.435 28.679 28.662 739 HD22 ASN 95 1HD2 ASN 95 -10.906 27.156 28.041 740 HA PRO 96 HA PRO 96 -16.742 31.479 28.625 741 HB2 PRO 96 1HB PRO 96 -16.017 31.005 31.198 742 HB3 PRO 96 2HB PRO 96 -16.965 29.860 30.240 743 HG2 PRO 96 1HG PRO 96 -14.031 29.862 30.832 744 HG3 PRO 96 2HG PRO 96 -15.172 28.505 30.835 745 HD2 PRO 96 1HD PRO 96 -13.490 28.989 28.769 746 HD3 PRO 96 2HD PRO 96 -15.100 28.275 28.543 747 H ASP 97 H ASP 97 -16.786 33.469 29.720 748 HA ASP 97 HA ASP 97 -14.177 34.691 30.307 749 HB2 ASP 97 1HB ASP 97 -15.212 35.326 28.020 750 HB3 ASP 97 2HB ASP 97 -16.366 36.259 28.969 751 H LYS 98 H LYS 98 -14.439 36.771 31.554 752 HA LYS 98 HA LYS 98 -16.517 36.378 33.589 753 HB2 LYS 98 1HB LYS 98 -13.828 36.672 33.898 754 HB3 LYS 98 2HB LYS 98 -14.369 38.332 34.103 755 HG2 LYS 98 1HG LYS 98 -16.138 36.967 35.668 756 HG3 LYS 98 2HG LYS 98 -14.656 36.028 35.873 757 HD2 LYS 98 1HD LYS 98 -13.886 37.566 37.279 758 HD3 LYS 98 2HD LYS 98 -13.959 38.774 35.994 759 HE2 LYS 98 1HE LYS 98 -16.099 39.480 36.623 760 HE3 LYS 98 2HE LYS 98 -16.399 38.023 37.568 761 HZ1 LYS 98 1HZ LYS 98 -15.874 40.145 38.829 762 HZ2 LYS 98 2HZ LYS 98 -14.277 39.939 38.315 763 HZ3 LYS 98 3HZ LYS 98 -15.015 38.758 39.275 764 H SER 99 H SER 99 -17.827 38.064 34.280 765 HA SER 99 HA SER 99 -17.620 40.650 32.961 766 HB2 SER 99 1HB SER 99 -19.548 38.615 32.188 767 HB3 SER 99 2HB SER 99 -20.343 40.095 32.726 768 HG SER 99 HG SER 99 -18.632 41.098 31.252 769 H GLY 100 H GLY 100 -19.103 42.256 33.887 770 HA2 GLY 100 1HA GLY 100 -20.232 41.524 36.493 771 HA3 GLY 100 2HA GLY 100 -19.003 42.779 36.448 772 HA PRO 101 HA PRO 101 -23.441 44.278 35.294 773 HB2 PRO 101 1HB PRO 101 -24.495 44.805 37.740 774 HB3 PRO 101 2HB PRO 101 -24.716 43.259 36.911 775 HG2 PRO 101 1HG PRO 101 -22.784 43.986 39.078 776 HG3 PRO 101 2HG PRO 101 -23.765 42.520 38.900 777 HD2 PRO 101 1HD PRO 101 -21.140 42.604 38.244 778 HD3 PRO 101 2HD PRO 101 -22.305 41.576 37.386 779 H SER 102 H SER 102 -24.440 46.442 36.300 780 HA SER 102 HA SER 102 -22.443 48.221 37.401 781 HB2 SER 102 1HB SER 102 -21.880 48.262 35.005 782 HB3 SER 102 2HB SER 102 -23.545 48.699 34.619 783 HG SER 102 HG SER 102 -21.505 50.236 35.728 784 H SER 103 H SER 103 -25.567 48.141 35.690 785 HA SER 103 HA SER 103 -26.785 50.386 36.546 786 HB2 SER 103 1HB SER 103 -28.048 47.634 36.503 787 HB3 SER 103 2HB SER 103 -28.933 49.159 36.506 788 HG SER 103 HG SER 103 -27.891 49.652 34.512 789 H GLY 104 H GLY 104 -28.160 50.970 38.312 790 HA2 GLY 104 1HA GLY 104 -28.967 50.805 40.512 791 HA3 GLY 104 2HA GLY 104 -27.972 49.376 40.746 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -2.962 18.915 -4.715 2 HA2 GLY 1 1HA GLY 1 -2.519 19.527 -7.485 3 HA3 GLY 1 2HA GLY 1 -1.292 19.106 -6.300 4 H SER 2 H SER 2 -0.293 17.231 -6.582 5 HA SER 2 HA SER 2 -1.654 15.160 -8.180 6 HB2 SER 2 1HB SER 2 0.419 16.387 -9.163 7 HB3 SER 2 2HB SER 2 1.339 15.398 -8.031 8 HG SER 2 HG SER 2 0.620 13.572 -9.050 9 H SER 3 H SER 3 -2.478 14.065 -6.394 10 HA SER 3 HA SER 3 -0.782 12.125 -5.238 11 HB2 SER 3 1HB SER 3 -0.276 14.307 -3.911 12 HB3 SER 3 2HB SER 3 -1.844 14.018 -3.158 13 HG SER 3 HG SER 3 -0.065 11.877 -3.290 14 H GLY 4 H GLY 4 -1.949 10.710 -3.705 15 HA2 GLY 4 1HA GLY 4 -4.841 11.048 -3.604 16 HA3 GLY 4 2HA GLY 4 -4.257 9.682 -4.544 17 H SER 5 H SER 5 -5.869 9.796 -2.060 18 HA SER 5 HA SER 5 -4.080 8.630 -0.075 19 HB2 SER 5 1HB SER 5 -6.251 10.252 0.202 20 HB3 SER 5 2HB SER 5 -6.980 8.670 0.475 21 HG SER 5 HG SER 5 -5.704 10.062 2.226 22 H SER 6 H SER 6 -3.555 6.578 -0.529 23 HA SER 6 HA SER 6 -5.457 4.515 -0.279 24 HB2 SER 6 1HB SER 6 -5.211 3.567 -2.609 25 HB3 SER 6 2HB SER 6 -6.179 5.038 -2.505 26 HG SER 6 HG SER 6 -4.792 5.988 -3.752 27 H GLY 7 H GLY 7 -3.414 4.583 1.204 28 HA2 GLY 7 1HA GLY 7 -1.384 2.814 -0.016 29 HA3 GLY 7 2HA GLY 7 -0.984 4.035 1.182 30 H LEU 8 H LEU 8 -0.398 1.246 1.365 31 HA LEU 8 HA LEU 8 -1.833 0.661 3.852 32 HB2 LEU 8 1HB LEU 8 -1.583 -1.106 1.455 33 HB3 LEU 8 2HB LEU 8 -1.656 -1.819 3.065 34 HG LEU 8 HG LEU 8 -3.773 0.036 1.996 35 HD11 LEU 8 1HD1 LEU 8 -4.463 -1.587 0.653 36 HD12 LEU 8 2HD1 LEU 8 -4.760 -2.579 2.080 37 HD13 LEU 8 3HD1 LEU 8 -3.211 -2.678 1.243 38 HD21 LEU 8 1HD2 LEU 8 -3.262 -0.842 4.548 39 HD22 LEU 8 2HD2 LEU 8 -4.467 -1.993 3.969 40 HD23 LEU 8 3HD2 LEU 8 -4.816 -0.264 3.948 41 H ILE 9 H ILE 9 -0.549 -0.040 5.460 42 HA ILE 9 HA ILE 9 2.289 -0.441 4.830 43 HB ILE 9 HB ILE 9 1.019 0.106 7.515 44 HG12 ILE 9 1HG1 ILE 9 0.778 1.992 5.919 45 HG13 ILE 9 2HG1 ILE 9 1.832 2.383 7.274 46 HG21 ILE 9 1HG2 ILE 9 3.895 0.565 6.924 47 HG22 ILE 9 2HG2 ILE 9 3.106 0.134 8.441 48 HG23 ILE 9 3HG2 ILE 9 3.348 -1.089 7.194 49 HD11 ILE 9 1HD1 ILE 9 3.569 2.760 5.940 50 HD12 ILE 9 2HD1 ILE 9 3.272 1.303 4.992 51 HD13 ILE 9 3HD1 ILE 9 2.392 2.787 4.626 52 H ALA 10 H ALA 10 2.548 -2.566 4.374 53 HA ALA 10 HA ALA 10 1.284 -4.593 6.030 54 HB1 ALA 10 1HB ALA 10 1.867 -4.531 3.384 55 HB2 ALA 10 2HB ALA 10 3.232 -5.456 4.009 56 HB3 ALA 10 3HB ALA 10 1.583 -6.006 4.309 57 H CYS 11 H CYS 11 2.207 -5.204 7.866 58 HA CYS 11 HA CYS 11 5.072 -4.842 8.252 59 HB2 CYS 11 1HB CYS 11 3.298 -4.157 9.961 60 HB3 CYS 11 2HB CYS 11 3.101 -5.875 10.287 61 HG CYS 11 HG CYS 11 6.099 -5.893 10.700 62 H VAL 12 H VAL 12 6.333 -6.436 7.551 63 HA VAL 12 HA VAL 12 5.379 -9.201 7.684 64 HB VAL 12 HB VAL 12 8.032 -8.664 6.511 65 HG11 VAL 12 1HG1 VAL 12 7.072 -10.147 4.737 66 HG12 VAL 12 2HG1 VAL 12 7.110 -10.860 6.351 67 HG13 VAL 12 3HG1 VAL 12 5.595 -10.237 5.696 68 HG21 VAL 12 1HG2 VAL 12 7.029 -6.686 5.689 69 HG22 VAL 12 2HG2 VAL 12 6.940 -7.859 4.375 70 HG23 VAL 12 3HG2 VAL 12 5.509 -7.513 5.344 71 H ALA 13 H ALA 13 6.763 -10.881 8.507 72 HA ALA 13 HA ALA 13 8.529 -9.924 10.663 73 HB1 ALA 13 1HB ALA 13 6.649 -12.243 10.498 74 HB2 ALA 13 2HB ALA 13 8.022 -12.287 11.604 75 HB3 ALA 13 3HB ALA 13 6.809 -11.017 11.756 76 H ASN 14 H ASN 14 8.269 -11.942 7.864 77 HA ASN 14 HA ASN 14 10.622 -13.497 8.379 78 HB2 ASN 14 1HB ASN 14 8.579 -13.322 6.293 79 HB3 ASN 14 2HB ASN 14 10.191 -13.621 5.649 80 HD21 ASN 14 2HD2 ASN 14 8.055 -15.435 5.519 81 HD22 ASN 14 1HD2 ASN 14 8.472 -16.827 6.454 82 H ASP 15 H ASP 15 12.429 -12.290 8.647 83 HA ASP 15 HA ASP 15 13.125 -9.927 7.405 84 HB2 ASP 15 1HB ASP 15 14.944 -12.161 8.329 85 HB3 ASP 15 2HB ASP 15 15.481 -10.530 7.935 86 H ASP 16 H ASP 16 13.194 -13.154 6.145 87 HA ASP 16 HA ASP 16 15.031 -12.864 4.060 88 HB2 ASP 16 1HB ASP 16 13.141 -14.807 4.906 89 HB3 ASP 16 2HB ASP 16 12.857 -14.513 3.193 90 H VAL 17 H VAL 17 11.528 -12.273 4.107 91 HA VAL 17 HA VAL 17 10.977 -11.686 1.520 92 HB VAL 17 HB VAL 17 10.049 -10.145 3.946 93 HG11 VAL 17 1HG1 VAL 17 8.920 -10.157 1.149 94 HG12 VAL 17 2HG1 VAL 17 8.186 -9.379 2.553 95 HG13 VAL 17 3HG1 VAL 17 9.735 -8.806 1.935 96 HG21 VAL 17 1HG2 VAL 17 7.939 -11.573 3.320 97 HG22 VAL 17 2HG2 VAL 17 9.133 -12.612 2.542 98 HG23 VAL 17 3HG2 VAL 17 9.249 -12.276 4.268 99 H PHE 18 H PHE 18 12.874 -9.753 3.731 100 HA PHE 18 HA PHE 18 12.988 -7.481 1.949 101 HB2 PHE 18 1HB PHE 18 14.562 -8.057 4.468 102 HB3 PHE 18 2HB PHE 18 14.501 -6.515 3.621 103 HD1 PHE 18 1HD PHE 18 12.389 -8.982 5.413 104 HD2 PHE 18 2HD PHE 18 12.851 -4.953 4.124 105 HE1 PHE 18 1HE PHE 18 10.430 -8.334 6.753 106 HE2 PHE 18 2HE PHE 18 10.892 -4.297 5.461 107 HZ PHE 18 HZ PHE 18 9.680 -5.987 6.779 108 H SER 19 H SER 19 13.854 -9.865 0.733 109 HA SER 19 HA SER 19 16.703 -9.248 0.303 110 HB2 SER 19 1HB SER 19 15.371 -11.960 0.419 111 HB3 SER 19 2HB SER 19 16.987 -11.703 -0.236 112 HG SER 19 HG SER 19 17.612 -11.887 1.757 113 H GLU 20 H GLU 20 17.509 -9.791 -1.842 114 HA GLU 20 HA GLU 20 15.541 -9.134 -3.871 115 HB2 GLU 20 1HB GLU 20 18.540 -9.313 -3.832 116 HB3 GLU 20 2HB GLU 20 17.664 -9.198 -5.352 117 HG2 GLU 20 1HG GLU 20 16.920 -7.213 -3.317 118 HG3 GLU 20 2HG GLU 20 18.561 -7.082 -3.947 119 H SER 21 H SER 21 17.066 -11.914 -2.626 120 HA SER 21 HA SER 21 17.491 -13.662 -4.617 121 HB2 SER 21 1HB SER 21 15.904 -14.176 -2.094 122 HB3 SER 21 2HB SER 21 16.507 -15.451 -3.152 123 HG SER 21 HG SER 21 18.627 -14.612 -2.768 124 H GLU 22 H GLU 22 14.244 -13.547 -3.152 125 HA GLU 22 HA GLU 22 12.823 -13.143 -5.531 126 HB2 GLU 22 1HB GLU 22 13.898 -15.513 -5.819 127 HB3 GLU 22 2HB GLU 22 12.616 -16.021 -4.728 128 HG2 GLU 22 1HG GLU 22 11.648 -16.387 -6.768 129 HG3 GLU 22 2HG GLU 22 11.068 -14.764 -6.397 130 H THR 23 H THR 23 12.819 -14.853 -2.434 131 HA THR 23 HA THR 23 10.247 -15.143 -1.768 132 HB THR 23 HB THR 23 12.270 -13.804 0.040 133 HG1 THR 23 1HG THR 23 13.166 -15.721 -0.419 134 HG21 THR 23 1HG2 THR 23 9.530 -14.374 0.448 135 HG22 THR 23 2HG2 THR 23 10.715 -13.826 1.634 136 HG23 THR 23 3HG2 THR 23 10.450 -15.551 1.383 137 H ARG 24 H ARG 24 11.858 -12.075 -2.211 138 HA ARG 24 HA ARG 24 9.952 -10.402 -0.998 139 HB2 ARG 24 1HB ARG 24 12.112 -9.520 -1.544 140 HB3 ARG 24 2HB ARG 24 11.903 -9.910 -3.246 141 HG2 ARG 24 1HG ARG 24 10.681 -8.065 -3.660 142 HG3 ARG 24 2HG ARG 24 9.884 -8.107 -2.085 143 HD2 ARG 24 1HD ARG 24 11.215 -6.194 -1.987 144 HD3 ARG 24 2HD ARG 24 12.162 -7.413 -1.134 145 HE ARG 24 HE ARG 24 13.036 -7.552 -3.715 146 HH11 ARG 24 2HH1 ARG 24 12.772 -5.024 -1.337 147 HH12 ARG 24 1HH1 ARG 24 14.131 -4.135 -1.942 148 HH21 ARG 24 2HH2 ARG 24 14.827 -6.392 -4.520 149 HH22 ARG 24 1HH2 ARG 24 15.299 -4.913 -3.752 150 H ALA 25 H ALA 25 10.309 -11.448 -4.378 151 HA ALA 25 HA ALA 25 8.194 -10.050 -5.495 152 HB1 ALA 25 1HB ALA 25 9.344 -11.048 -7.156 153 HB2 ALA 25 2HB ALA 25 9.705 -12.482 -6.192 154 HB3 ALA 25 3HB ALA 25 8.127 -12.309 -6.957 155 H LYS 26 H LYS 26 8.181 -13.155 -3.804 156 HA LYS 26 HA LYS 26 5.598 -13.994 -4.312 157 HB2 LYS 26 1HB LYS 26 7.339 -14.297 -1.870 158 HB3 LYS 26 2HB LYS 26 5.753 -15.049 -1.985 159 HG2 LYS 26 1HG LYS 26 6.419 -16.466 -3.716 160 HG3 LYS 26 2HG LYS 26 7.848 -15.495 -4.081 161 HD2 LYS 26 1HD LYS 26 8.310 -16.165 -1.488 162 HD3 LYS 26 2HD LYS 26 7.447 -17.595 -2.062 163 HE2 LYS 26 1HE LYS 26 9.792 -16.394 -3.518 164 HE3 LYS 26 2HE LYS 26 9.965 -17.645 -2.289 165 HZ1 LYS 26 1HZ LYS 26 8.175 -18.816 -3.795 166 HZ2 LYS 26 2HZ LYS 26 9.827 -18.930 -4.139 167 HZ3 LYS 26 3HZ LYS 26 8.859 -17.832 -4.989 168 H PHE 27 H PHE 27 6.745 -11.704 -1.871 169 HA PHE 27 HA PHE 27 4.131 -11.304 -0.751 170 HB2 PHE 27 1HB PHE 27 5.862 -10.945 0.787 171 HB3 PHE 27 2HB PHE 27 6.812 -10.008 -0.361 172 HD1 PHE 27 2HD PHE 27 5.802 -7.743 -1.106 173 HD2 PHE 27 1HD PHE 27 4.589 -9.863 2.379 174 HE1 PHE 27 2HE PHE 27 4.890 -5.663 -0.163 175 HE2 PHE 27 1HE PHE 27 3.674 -7.785 3.328 176 HZ PHE 27 HZ PHE 27 3.826 -5.682 2.058 177 H GLU 28 H GLU 28 5.890 -10.032 -3.401 178 HA GLU 28 HA GLU 28 4.499 -7.519 -3.537 179 HB2 GLU 28 1HB GLU 28 6.665 -8.838 -4.964 180 HB3 GLU 28 2HB GLU 28 5.561 -8.016 -6.057 181 HG2 GLU 28 1HG GLU 28 5.833 -5.966 -4.654 182 HG3 GLU 28 2HG GLU 28 7.095 -6.817 -3.768 183 H SER 29 H SER 29 4.455 -10.500 -5.488 184 HA SER 29 HA SER 29 2.440 -9.827 -7.253 185 HB2 SER 29 1HB SER 29 3.650 -11.840 -7.641 186 HB3 SER 29 2HB SER 29 3.206 -12.495 -6.066 187 HG SER 29 HG SER 29 1.079 -12.679 -6.790 188 H LEU 30 H LEU 30 2.221 -10.709 -3.901 189 HA LEU 30 HA LEU 30 -0.440 -11.509 -3.728 190 HB2 LEU 30 1HB LEU 30 1.439 -10.171 -1.825 191 HB3 LEU 30 2HB LEU 30 -0.244 -10.431 -1.373 192 HG LEU 30 HG LEU 30 1.740 -12.583 -2.105 193 HD11 LEU 30 1HD1 LEU 30 0.676 -11.578 0.515 194 HD12 LEU 30 2HD1 LEU 30 2.352 -11.798 0.016 195 HD13 LEU 30 3HD1 LEU 30 1.335 -13.204 0.331 196 HD21 LEU 30 1HD2 LEU 30 -1.152 -12.555 -1.932 197 HD22 LEU 30 2HD2 LEU 30 -0.434 -13.710 -0.809 198 HD23 LEU 30 3HD2 LEU 30 -0.068 -13.810 -2.532 199 H PHE 31 H PHE 31 0.974 -8.278 -3.767 200 HA PHE 31 HA PHE 31 -1.699 -7.091 -3.612 201 HB2 PHE 31 1HB PHE 31 0.965 -5.664 -3.614 202 HB3 PHE 31 2HB PHE 31 -0.602 -4.994 -3.172 203 HD1 PHE 31 1HD PHE 31 1.954 -7.475 -2.165 204 HD2 PHE 31 2HD PHE 31 -1.389 -5.125 -0.975 205 HE1 PHE 31 1HE PHE 31 2.359 -8.093 0.183 206 HE2 PHE 31 2HE PHE 31 -0.989 -5.738 1.374 207 HZ PHE 31 HZ PHE 31 0.888 -7.224 1.955 208 H ARG 32 H ARG 32 1.235 -6.954 -5.619 209 HA ARG 32 HA ARG 32 0.441 -5.249 -7.600 210 HB2 ARG 32 1HB ARG 32 2.563 -6.932 -7.245 211 HB3 ARG 32 2HB ARG 32 1.758 -7.676 -8.621 212 HG2 ARG 32 1HG ARG 32 2.423 -4.751 -8.553 213 HG3 ARG 32 2HG ARG 32 3.568 -5.971 -9.117 214 HD2 ARG 32 1HD ARG 32 1.693 -6.745 -10.674 215 HD3 ARG 32 2HD ARG 32 0.901 -5.221 -10.277 216 HE ARG 32 HE ARG 32 2.320 -4.200 -11.731 217 HH11 ARG 32 2HH1 ARG 32 3.815 -7.144 -10.630 218 HH12 ARG 32 1HH1 ARG 32 5.206 -6.972 -11.649 219 HH21 ARG 32 2HH2 ARG 32 4.146 -3.962 -13.076 220 HH22 ARG 32 1HH2 ARG 32 5.393 -5.161 -13.039 221 H THR 33 H THR 33 -0.253 -8.728 -7.412 222 HA THR 33 HA THR 33 -1.472 -9.278 -9.746 223 HB THR 33 HB THR 33 -2.386 -10.059 -6.979 224 HG1 THR 33 1HG THR 33 -1.271 -11.937 -7.461 225 HG21 THR 33 1HG2 THR 33 -3.774 -11.769 -7.992 226 HG22 THR 33 2HG2 THR 33 -3.318 -11.224 -9.606 227 HG23 THR 33 3HG2 THR 33 -4.284 -10.180 -8.563 228 H TYR 34 H TYR 34 -2.881 -7.393 -7.114 229 HA TYR 34 HA TYR 34 -5.450 -7.126 -8.307 230 HB2 TYR 34 1HB TYR 34 -4.225 -5.235 -6.300 231 HB3 TYR 34 2HB TYR 34 -5.932 -5.577 -6.562 232 HD1 TYR 34 2HD TYR 34 -5.936 -8.525 -6.638 233 HD2 TYR 34 1HD TYR 34 -3.830 -5.848 -4.086 234 HE1 TYR 34 2HE TYR 34 -5.860 -10.256 -4.892 235 HE2 TYR 34 1HE TYR 34 -3.747 -7.573 -2.335 236 HH TYR 34 HH TYR 34 -4.099 -9.744 -1.871 237 H ASP 35 H ASP 35 -3.108 -4.521 -7.661 238 HA ASP 35 HA ASP 35 -3.995 -3.230 -10.151 239 HB2 ASP 35 1HB ASP 35 -3.747 -2.229 -7.538 240 HB3 ASP 35 2HB ASP 35 -2.411 -1.521 -8.442 241 H LYS 36 H LYS 36 -2.476 -2.344 -11.579 242 HA LYS 36 HA LYS 36 0.128 -3.663 -11.483 243 HB2 LYS 36 1HB LYS 36 0.316 -2.936 -13.849 244 HB3 LYS 36 2HB LYS 36 -1.103 -3.928 -13.545 245 HG2 LYS 36 1HG LYS 36 -2.536 -2.267 -14.041 246 HG3 LYS 36 2HG LYS 36 -1.515 -1.024 -13.311 247 HD2 LYS 36 1HD LYS 36 -0.987 -0.402 -15.386 248 HD3 LYS 36 2HD LYS 36 -0.059 -1.900 -15.505 249 HE2 LYS 36 1HE LYS 36 -2.961 -2.119 -16.001 250 HE3 LYS 36 2HE LYS 36 -2.037 -1.220 -17.204 251 HZ1 LYS 36 1HZ LYS 36 -2.052 -3.457 -17.895 252 HZ2 LYS 36 2HZ LYS 36 -1.653 -4.032 -16.354 253 HZ3 LYS 36 3HZ LYS 36 -0.505 -3.189 -17.265 254 H ASP 37 H ASP 37 -1.205 -0.735 -10.628 255 HA ASP 37 HA ASP 37 1.316 0.713 -11.086 256 HB2 ASP 37 1HB ASP 37 -1.349 1.477 -11.552 257 HB3 ASP 37 2HB ASP 37 -0.830 2.396 -10.142 258 H THR 38 H THR 38 0.758 -1.224 -8.933 259 HA THR 38 HA THR 38 0.564 0.399 -6.533 260 HB THR 38 HB THR 38 1.082 -1.953 -5.473 261 HG1 THR 38 1HG THR 38 -0.060 -2.803 -7.923 262 HG21 THR 38 1HG2 THR 38 -1.527 -2.361 -6.450 263 HG22 THR 38 2HG2 THR 38 -1.306 -0.615 -6.336 264 HG23 THR 38 3HG2 THR 38 -1.051 -1.630 -4.918 265 H THR 39 H THR 39 2.248 1.207 -5.474 266 HA THR 39 HA THR 39 4.940 0.340 -6.247 267 HB THR 39 HB THR 39 5.751 2.409 -5.268 268 HG1 THR 39 1HG THR 39 3.722 2.328 -3.743 269 HG21 THR 39 1HG2 THR 39 3.312 2.977 -6.955 270 HG22 THR 39 2HG2 THR 39 4.867 2.437 -7.588 271 HG23 THR 39 3HG2 THR 39 4.737 3.998 -6.779 272 H PHE 40 H PHE 40 6.235 -0.736 -4.894 273 HA PHE 40 HA PHE 40 5.297 -1.147 -2.138 274 HB2 PHE 40 1HB PHE 40 7.244 -2.824 -3.734 275 HB3 PHE 40 2HB PHE 40 6.593 -3.208 -2.145 276 HD1 PHE 40 2HD PHE 40 5.406 -2.403 -5.588 277 HD2 PHE 40 1HD PHE 40 4.819 -4.657 -2.025 278 HE1 PHE 40 2HE PHE 40 3.528 -3.585 -6.650 279 HE2 PHE 40 1HE PHE 40 2.939 -5.843 -3.082 280 HZ PHE 40 HZ PHE 40 2.292 -5.307 -5.397 281 H GLN 41 H GLN 41 6.409 -0.293 -0.512 282 HA GLN 41 HA GLN 41 9.165 0.608 -1.031 283 HB2 GLN 41 1HB GLN 41 6.955 2.102 -0.201 284 HB3 GLN 41 2HB GLN 41 7.913 1.874 1.256 285 HG2 GLN 41 1HG GLN 41 9.859 2.808 0.145 286 HG3 GLN 41 2HG GLN 41 8.935 2.995 -1.344 287 HE21 GLN 41 2HE2 GLN 41 6.624 4.057 -0.608 288 HE22 GLN 41 1HE2 GLN 41 6.844 5.581 0.176 289 H TYR 42 H TYR 42 10.539 -0.784 -0.134 290 HA TYR 42 HA TYR 42 9.825 -2.129 2.359 291 HB2 TYR 42 1HB TYR 42 11.987 -2.579 0.311 292 HB3 TYR 42 2HB TYR 42 12.011 -3.384 1.876 293 HD1 TYR 42 2HD TYR 42 10.313 -5.060 2.437 294 HD2 TYR 42 1HD TYR 42 10.402 -3.209 -1.392 295 HE1 TYR 42 2HE TYR 42 8.828 -6.814 1.562 296 HE2 TYR 42 1HE TYR 42 8.915 -4.957 -2.279 297 HH TYR 42 HH TYR 42 7.563 -6.676 -1.732 298 H PHE 43 H PHE 43 10.496 -1.377 4.245 299 HA PHE 43 HA PHE 43 12.816 0.433 4.297 300 HB2 PHE 43 1HB PHE 43 10.545 0.189 6.283 301 HB3 PHE 43 2HB PHE 43 11.877 1.337 6.381 302 HD1 PHE 43 2HD PHE 43 12.171 2.616 3.954 303 HD2 PHE 43 1HD PHE 43 8.563 1.123 5.648 304 HE1 PHE 43 2HE PHE 43 10.879 4.228 2.616 305 HE2 PHE 43 1HE PHE 43 7.265 2.732 4.313 306 HZ PHE 43 HZ PHE 43 8.423 4.288 2.796 307 H LYS 44 H LYS 44 14.486 -0.987 4.581 308 HA LYS 44 HA LYS 44 14.432 -3.203 6.340 309 HB2 LYS 44 1HB LYS 44 16.366 -1.894 4.601 310 HB3 LYS 44 2HB LYS 44 17.104 -2.487 6.083 311 HG2 LYS 44 1HG LYS 44 15.301 -4.412 4.843 312 HG3 LYS 44 2HG LYS 44 16.663 -3.954 3.817 313 HD2 LYS 44 1HD LYS 44 18.162 -4.998 5.131 314 HD3 LYS 44 2HD LYS 44 17.362 -4.484 6.619 315 HE2 LYS 44 1HE LYS 44 16.150 -6.589 4.863 316 HE3 LYS 44 2HE LYS 44 17.408 -6.999 6.028 317 HZ1 LYS 44 1HZ LYS 44 15.214 -7.315 6.970 318 HZ2 LYS 44 2HZ LYS 44 14.812 -5.700 6.663 319 HZ3 LYS 44 3HZ LYS 44 16.024 -6.072 7.785 320 H SER 45 H SER 45 14.562 0.089 6.958 321 HA SER 45 HA SER 45 16.167 -0.103 9.368 322 HB2 SER 45 1HB SER 45 14.569 2.238 8.302 323 HB3 SER 45 2HB SER 45 15.771 2.295 9.591 324 HG SER 45 HG SER 45 17.260 1.449 7.926 325 H PHE 46 H PHE 46 12.990 -0.708 8.513 326 HA PHE 46 HA PHE 46 12.201 -0.851 11.304 327 HB2 PHE 46 1HB PHE 46 10.682 0.799 9.276 328 HB3 PHE 46 2HB PHE 46 10.039 0.326 10.846 329 HD1 PHE 46 2HD PHE 46 11.388 1.045 12.917 330 HD2 PHE 46 1HD PHE 46 11.888 2.760 9.053 331 HE1 PHE 46 2HE PHE 46 12.416 3.034 13.937 332 HE2 PHE 46 1HE PHE 46 12.918 4.752 10.067 333 HZ PHE 46 HZ PHE 46 13.183 4.891 12.511 334 H LYS 47 H LYS 47 12.676 -2.561 8.825 335 HA LYS 47 HA LYS 47 11.626 -4.232 7.618 336 HB2 LYS 47 1HB LYS 47 11.172 -4.702 10.537 337 HB3 LYS 47 2HB LYS 47 10.455 -5.812 9.376 338 HG2 LYS 47 1HG LYS 47 12.588 -6.648 10.160 339 HG3 LYS 47 2HG LYS 47 12.667 -6.265 8.439 340 HD2 LYS 47 1HD LYS 47 14.234 -4.694 8.755 341 HD3 LYS 47 2HD LYS 47 13.399 -4.021 10.156 342 HE2 LYS 47 1HE LYS 47 15.002 -6.570 10.239 343 HE3 LYS 47 2HE LYS 47 15.680 -4.985 10.609 344 HZ1 LYS 47 1HZ LYS 47 15.059 -5.941 12.651 345 HZ2 LYS 47 2HZ LYS 47 13.549 -6.434 12.070 346 HZ3 LYS 47 3HZ LYS 47 13.864 -4.791 12.315 347 H ARG 48 H ARG 48 10.095 -2.062 7.201 348 HA ARG 48 HA ARG 48 7.345 -3.073 7.517 349 HB2 ARG 48 1HB ARG 48 8.484 -0.356 7.864 350 HB3 ARG 48 2HB ARG 48 6.916 -0.457 7.077 351 HG2 ARG 48 1HG ARG 48 6.055 -1.722 9.005 352 HG3 ARG 48 2HG ARG 48 7.620 -1.533 9.798 353 HD2 ARG 48 1HD ARG 48 7.244 0.996 9.396 354 HD3 ARG 48 2HD ARG 48 5.557 0.542 9.162 355 HE ARG 48 HE ARG 48 7.019 0.587 11.645 356 HH11 ARG 48 2HH1 ARG 48 4.263 -0.687 9.942 357 HH12 ARG 48 1HH1 ARG 48 3.360 -1.016 11.384 358 HH21 ARG 48 2HH2 ARG 48 5.840 0.160 13.550 359 HH22 ARG 48 1HH2 ARG 48 4.258 -0.533 13.436 360 H VAL 49 H VAL 49 5.874 -2.599 5.773 361 HA VAL 49 HA VAL 49 7.216 -2.083 3.201 362 HB VAL 49 HB VAL 49 4.917 -4.005 3.490 363 HG11 VAL 49 1HG1 VAL 49 4.996 -3.738 1.266 364 HG12 VAL 49 2HG1 VAL 49 6.605 -3.014 1.315 365 HG13 VAL 49 3HG1 VAL 49 6.425 -4.769 1.347 366 HG21 VAL 49 1HG2 VAL 49 6.404 -5.838 3.622 367 HG22 VAL 49 2HG2 VAL 49 7.810 -4.815 3.323 368 HG23 VAL 49 3HG2 VAL 49 6.938 -4.692 4.851 369 H ARG 50 H ARG 50 6.384 -0.409 2.155 370 HA ARG 50 HA ARG 50 3.666 0.477 2.844 371 HB2 ARG 50 1HB ARG 50 5.972 1.915 2.884 372 HB3 ARG 50 2HB ARG 50 5.395 2.269 1.261 373 HG2 ARG 50 1HG ARG 50 3.135 2.604 2.762 374 HG3 ARG 50 2HG ARG 50 4.404 3.180 3.846 375 HD2 ARG 50 1HD ARG 50 5.248 4.532 1.851 376 HD3 ARG 50 2HD ARG 50 3.697 4.163 1.096 377 HE ARG 50 HE ARG 50 3.195 5.200 3.637 378 HH11 ARG 50 2HH1 ARG 50 4.516 6.228 0.585 379 HH12 ARG 50 1HH1 ARG 50 4.043 7.883 0.790 380 HH21 ARG 50 2HH2 ARG 50 2.567 7.375 3.918 381 HH22 ARG 50 1HH2 ARG 50 2.935 8.534 2.686 382 H ILE 51 H ILE 51 2.275 -0.451 1.459 383 HA ILE 51 HA ILE 51 2.957 -0.514 -1.397 384 HB ILE 51 HB ILE 51 0.679 -1.923 -0.006 385 HG12 ILE 51 1HG1 ILE 51 2.686 -3.710 -0.974 386 HG13 ILE 51 2HG1 ILE 51 3.464 -2.504 0.045 387 HG21 ILE 51 1HG2 ILE 51 1.776 -1.981 -2.796 388 HG22 ILE 51 2HG2 ILE 51 0.851 -3.332 -2.143 389 HG23 ILE 51 3HG2 ILE 51 0.113 -1.735 -2.263 390 HD11 ILE 51 1HD1 ILE 51 2.395 -4.764 0.984 391 HD12 ILE 51 2HD1 ILE 51 2.490 -3.274 1.923 392 HD13 ILE 51 3HD1 ILE 51 0.990 -3.705 1.103 393 H ASN 52 H ASN 52 2.345 1.320 -2.367 394 HA ASN 52 HA ASN 52 -0.204 2.556 -1.624 395 HB2 ASN 52 1HB ASN 52 2.262 3.530 -3.020 396 HB3 ASN 52 2HB ASN 52 0.733 4.363 -3.282 397 HD21 ASN 52 2HD2 ASN 52 3.370 4.897 -1.788 398 HD22 ASN 52 1HD2 ASN 52 2.839 5.522 -0.268 399 H PHE 53 H PHE 53 -1.946 2.448 -2.889 400 HA PHE 53 HA PHE 53 -1.658 1.178 -5.519 401 HB2 PHE 53 1HB PHE 53 -4.170 1.571 -3.882 402 HB3 PHE 53 2HB PHE 53 -4.010 0.605 -5.345 403 HD1 PHE 53 2HD PHE 53 -2.491 0.889 -1.949 404 HD2 PHE 53 1HD PHE 53 -3.757 -1.662 -5.113 405 HE1 PHE 53 2HE PHE 53 -1.932 -1.079 -0.582 406 HE2 PHE 53 1HE PHE 53 -3.200 -3.634 -3.749 407 HZ PHE 53 HZ PHE 53 -2.285 -3.343 -1.482 408 H SER 54 H SER 54 -3.718 1.906 -6.948 409 HA SER 54 HA SER 54 -3.351 4.792 -7.296 410 HB2 SER 54 1HB SER 54 -2.871 3.260 -9.213 411 HB3 SER 54 2HB SER 54 -4.573 2.802 -9.222 412 HG SER 54 HG SER 54 -5.017 4.586 -10.229 413 H ASN 55 H ASN 55 -5.657 2.480 -6.291 414 HA ASN 55 HA ASN 55 -7.685 4.589 -6.109 415 HB2 ASN 55 1HB ASN 55 -9.445 2.952 -6.748 416 HB3 ASN 55 2HB ASN 55 -8.322 3.297 -8.060 417 HD21 ASN 55 2HD2 ASN 55 -8.468 1.445 -9.184 418 HD22 ASN 55 1HD2 ASN 55 -8.039 -0.111 -8.566 419 HA PRO 56 HA PRO 56 -8.036 3.179 -1.954 420 HB2 PRO 56 1HB PRO 56 -10.505 4.149 -1.376 421 HB3 PRO 56 2HB PRO 56 -9.078 5.181 -1.522 422 HG2 PRO 56 1HG PRO 56 -11.237 4.640 -3.523 423 HG3 PRO 56 2HG PRO 56 -10.463 6.178 -3.102 424 HD2 PRO 56 1HD PRO 56 -9.784 4.761 -5.306 425 HD3 PRO 56 2HD PRO 56 -8.614 5.750 -4.410 426 H LEU 57 H LEU 57 -9.737 1.892 -4.498 427 HA LEU 57 HA LEU 57 -11.621 0.305 -3.004 428 HB2 LEU 57 1HB LEU 57 -10.737 0.276 -5.879 429 HB3 LEU 57 2HB LEU 57 -11.921 -0.853 -5.223 430 HG LEU 57 HG LEU 57 -12.363 2.100 -4.997 431 HD11 LEU 57 1HD1 LEU 57 -11.860 1.694 -7.349 432 HD12 LEU 57 2HD1 LEU 57 -13.571 2.054 -7.115 433 HD13 LEU 57 3HD1 LEU 57 -13.049 0.391 -7.385 434 HD21 LEU 57 1HD2 LEU 57 -13.752 -0.199 -4.203 435 HD22 LEU 57 2HD2 LEU 57 -14.642 0.451 -5.581 436 HD23 LEU 57 3HD2 LEU 57 -14.326 1.469 -4.175 437 H SER 58 H SER 58 -8.992 -0.684 -5.202 438 HA SER 58 HA SER 58 -8.770 -3.302 -4.435 439 HB2 SER 58 1HB SER 58 -7.317 -1.591 -6.063 440 HB3 SER 58 2HB SER 58 -6.139 -2.107 -4.856 441 HG SER 58 HG SER 58 -7.442 -3.576 -6.819 442 H ALA 59 H ALA 59 -7.019 -0.544 -3.023 443 HA ALA 59 HA ALA 59 -5.379 -1.622 -1.214 444 HB1 ALA 59 1HB ALA 59 -7.275 0.473 -0.227 445 HB2 ALA 59 2HB ALA 59 -5.543 0.306 0.064 446 HB3 ALA 59 3HB ALA 59 -6.125 0.835 -1.514 447 H ALA 60 H ALA 60 -8.895 -1.576 -0.923 448 HA ALA 60 HA ALA 60 -8.978 -2.673 1.703 449 HB1 ALA 60 1HB ALA 60 -11.392 -3.321 0.528 450 HB2 ALA 60 2HB ALA 60 -11.029 -1.848 1.427 451 HB3 ALA 60 3HB ALA 60 -10.886 -1.865 -0.329 452 H ASP 61 H ASP 61 -9.918 -4.142 -1.415 453 HA ASP 61 HA ASP 61 -10.265 -6.729 -0.618 454 HB2 ASP 61 1HB ASP 61 -9.873 -5.379 -3.095 455 HB3 ASP 61 2HB ASP 61 -8.866 -6.824 -3.103 456 H ALA 62 H ALA 62 -7.244 -5.033 -1.096 457 HA ALA 62 HA ALA 62 -5.515 -7.257 -1.111 458 HB1 ALA 62 1HB ALA 62 -3.922 -5.374 -0.091 459 HB2 ALA 62 2HB ALA 62 -4.375 -5.421 -1.795 460 HB3 ALA 62 3HB ALA 62 -5.224 -4.344 -0.687 461 H ARG 63 H ARG 63 -6.949 -5.387 1.498 462 HA ARG 63 HA ARG 63 -5.371 -6.486 3.586 463 HB2 ARG 63 1HB ARG 63 -6.680 -4.355 3.733 464 HB3 ARG 63 2HB ARG 63 -8.150 -5.318 3.792 465 HG2 ARG 63 1HG ARG 63 -7.634 -6.189 5.899 466 HG3 ARG 63 2HG ARG 63 -5.939 -5.710 5.777 467 HD2 ARG 63 1HD ARG 63 -6.819 -4.123 7.221 468 HD3 ARG 63 2HD ARG 63 -6.871 -3.304 5.660 469 HE ARG 63 HE ARG 63 -9.313 -4.539 5.929 470 HH11 ARG 63 2HH1 ARG 63 -7.474 -2.172 7.700 471 HH12 ARG 63 1HH1 ARG 63 -8.872 -1.355 8.316 472 HH21 ARG 63 2HH2 ARG 63 -11.162 -3.472 6.733 473 HH22 ARG 63 1HH2 ARG 63 -10.970 -2.096 7.765 474 H LEU 64 H LEU 64 -8.673 -7.194 2.457 475 HA LEU 64 HA LEU 64 -9.174 -9.301 4.245 476 HB2 LEU 64 1HB LEU 64 -11.149 -9.501 3.184 477 HB3 LEU 64 2HB LEU 64 -10.670 -7.960 2.475 478 HG LEU 64 HG LEU 64 -9.657 -9.475 0.597 479 HD11 LEU 64 1HD1 LEU 64 -10.519 -11.481 2.179 480 HD12 LEU 64 2HD1 LEU 64 -10.333 -11.615 0.430 481 HD13 LEU 64 3HD1 LEU 64 -11.919 -11.282 1.125 482 HD21 LEU 64 1HD2 LEU 64 -12.512 -9.590 0.217 483 HD22 LEU 64 2HD2 LEU 64 -11.311 -8.578 -0.586 484 HD23 LEU 64 3HD2 LEU 64 -12.032 -8.052 0.936 485 H ARG 65 H ARG 65 -7.581 -9.201 1.124 486 HA ARG 65 HA ARG 65 -7.416 -12.080 0.920 487 HB2 ARG 65 1HB ARG 65 -6.569 -9.765 -0.759 488 HB3 ARG 65 2HB ARG 65 -5.751 -11.303 -0.996 489 HG2 ARG 65 1HG ARG 65 -8.280 -12.159 -1.061 490 HG3 ARG 65 2HG ARG 65 -8.521 -10.506 -1.632 491 HD2 ARG 65 1HD ARG 65 -7.299 -10.842 -3.544 492 HD3 ARG 65 2HD ARG 65 -6.316 -12.115 -2.818 493 HE ARG 65 HE ARG 65 -8.967 -13.013 -3.016 494 HH11 ARG 65 2HH1 ARG 65 -6.254 -12.216 -5.046 495 HH12 ARG 65 1HH1 ARG 65 -6.706 -13.315 -6.306 496 HH21 ARG 65 2HH2 ARG 65 -9.573 -14.465 -4.667 497 HH22 ARG 65 1HH2 ARG 65 -8.596 -14.594 -6.090 498 H LEU 66 H LEU 66 -5.858 -9.864 2.767 499 HA LEU 66 HA LEU 66 -3.545 -11.625 3.086 500 HB2 LEU 66 1HB LEU 66 -3.205 -8.642 3.033 501 HB3 LEU 66 2HB LEU 66 -1.956 -9.886 3.020 502 HG LEU 66 HG LEU 66 -3.866 -9.582 0.726 503 HD11 LEU 66 1HD1 LEU 66 -1.381 -8.381 0.104 504 HD12 LEU 66 2HD1 LEU 66 -1.984 -7.631 1.580 505 HD13 LEU 66 3HD1 LEU 66 -2.982 -7.643 0.127 506 HD21 LEU 66 1HD2 LEU 66 -2.230 -10.757 -0.499 507 HD22 LEU 66 2HD2 LEU 66 -2.377 -11.608 1.038 508 HD23 LEU 66 3HD2 LEU 66 -1.011 -10.526 0.756 509 H HIS 67 H HIS 67 -2.318 -9.569 4.857 510 HA HIS 67 HA HIS 67 -2.509 -8.702 6.988 511 HB2 HIS 67 1HB HIS 67 -5.059 -8.551 6.325 512 HB3 HIS 67 2HB HIS 67 -5.202 -9.934 7.407 513 HD1 HIS 67 1HD HIS 67 -2.601 -7.694 8.567 514 HD2 HIS 67 2HD HIS 67 -6.733 -7.935 8.937 515 HE1 HIS 67 1HE HIS 67 -3.188 -6.225 10.522 516 H LYS 68 H LYS 68 -4.163 -10.275 8.993 517 HA LYS 68 HA LYS 68 -2.327 -11.764 10.241 518 HB2 LYS 68 1HB LYS 68 -5.262 -12.372 9.912 519 HB3 LYS 68 2HB LYS 68 -4.226 -13.286 11.000 520 HG2 LYS 68 1HG LYS 68 -3.999 -11.549 12.472 521 HG3 LYS 68 2HG LYS 68 -4.274 -10.320 11.235 522 HD2 LYS 68 1HD LYS 68 -6.618 -11.919 11.441 523 HD3 LYS 68 2HD LYS 68 -6.134 -11.435 13.068 524 HE2 LYS 68 1HE LYS 68 -5.804 -9.110 11.703 525 HE3 LYS 68 2HE LYS 68 -7.165 -9.823 10.838 526 HZ1 LYS 68 1HZ LYS 68 -7.294 -8.428 13.180 527 HZ2 LYS 68 2HZ LYS 68 -7.456 -10.038 13.671 528 HZ3 LYS 68 3HZ LYS 68 -8.521 -9.392 12.526 529 H THR 69 H THR 69 -3.969 -12.672 7.307 530 HA THR 69 HA THR 69 -3.811 -15.300 6.996 531 HB THR 69 HB THR 69 -2.947 -14.974 4.655 532 HG1 THR 69 1HG THR 69 -2.372 -12.951 4.001 533 HG21 THR 69 1HG2 THR 69 -4.945 -12.846 4.869 534 HG22 THR 69 2HG2 THR 69 -5.374 -14.315 5.746 535 HG23 THR 69 3HG2 THR 69 -5.021 -14.389 4.020 536 H GLU 70 H GLU 70 -2.392 -16.900 7.244 537 HA GLU 70 HA GLU 70 0.240 -16.419 8.166 538 HB2 GLU 70 1HB GLU 70 -1.480 -18.730 7.704 539 HB3 GLU 70 2HB GLU 70 0.209 -19.062 7.347 540 HG2 GLU 70 1HG GLU 70 0.859 -18.396 9.565 541 HG3 GLU 70 2HG GLU 70 -0.791 -17.900 9.935 542 H PHE 71 H PHE 71 1.300 -15.180 6.600 543 HA PHE 71 HA PHE 71 1.559 -16.076 3.891 544 HB2 PHE 71 1HB PHE 71 1.691 -13.728 4.236 545 HB3 PHE 71 2HB PHE 71 2.914 -13.907 5.491 546 HD1 PHE 71 1HD PHE 71 2.320 -14.359 1.859 547 HD2 PHE 71 2HD PHE 71 5.182 -13.821 4.963 548 HE1 PHE 71 1HE PHE 71 4.085 -14.053 0.173 549 HE2 PHE 71 2HE PHE 71 6.951 -13.513 3.282 550 HZ PHE 71 HZ PHE 71 6.404 -13.628 0.884 551 H LEU 72 H LEU 72 2.610 -17.934 3.536 552 HA LEU 72 HA LEU 72 4.255 -19.502 3.475 553 HB2 LEU 72 1HB LEU 72 5.703 -16.936 3.813 554 HB3 LEU 72 2HB LEU 72 6.618 -18.421 4.058 555 HG LEU 72 HG LEU 72 5.163 -18.651 1.619 556 HD11 LEU 72 1HD1 LEU 72 5.754 -16.801 0.370 557 HD12 LEU 72 2HD1 LEU 72 6.995 -16.293 1.514 558 HD13 LEU 72 3HD1 LEU 72 5.291 -16.078 1.910 559 HD21 LEU 72 1HD2 LEU 72 7.166 -19.391 0.830 560 HD22 LEU 72 2HD2 LEU 72 7.476 -19.543 2.560 561 HD23 LEU 72 3HD2 LEU 72 8.086 -18.144 1.674 562 H GLY 73 H GLY 73 2.877 -18.829 6.049 563 HA2 GLY 73 1HA GLY 73 3.032 -20.256 7.971 564 HA3 GLY 73 2HA GLY 73 4.780 -20.245 7.791 565 H LYS 74 H LYS 74 4.508 -17.231 7.280 566 HA LYS 74 HA LYS 74 4.540 -16.496 10.120 567 HB2 LYS 74 1HB LYS 74 5.774 -15.262 7.666 568 HB3 LYS 74 2HB LYS 74 5.658 -14.382 9.184 569 HG2 LYS 74 1HG LYS 74 6.824 -17.074 9.378 570 HG3 LYS 74 2HG LYS 74 7.767 -15.897 8.462 571 HD2 LYS 74 1HD LYS 74 7.655 -14.348 10.368 572 HD3 LYS 74 2HD LYS 74 6.747 -15.553 11.282 573 HE2 LYS 74 1HE LYS 74 8.744 -16.221 12.038 574 HE3 LYS 74 2HE LYS 74 8.937 -16.972 10.455 575 HZ1 LYS 74 1HZ LYS 74 9.862 -14.698 9.773 576 HZ2 LYS 74 2HZ LYS 74 10.847 -15.717 10.696 577 HZ3 LYS 74 3HZ LYS 74 10.046 -14.421 11.432 578 H GLU 75 H GLU 75 3.242 -14.924 10.953 579 HA GLU 75 HA GLU 75 0.926 -14.194 9.384 580 HB2 GLU 75 1HB GLU 75 0.574 -14.889 11.674 581 HB3 GLU 75 2HB GLU 75 1.672 -13.646 12.259 582 HG2 GLU 75 1HG GLU 75 -0.098 -12.124 10.919 583 HG3 GLU 75 2HG GLU 75 -1.141 -13.451 11.429 584 H MET 76 H MET 76 0.766 -12.395 8.235 585 HA MET 76 HA MET 76 2.612 -10.183 8.812 586 HB2 MET 76 1HB MET 76 2.927 -10.808 6.584 587 HB3 MET 76 2HB MET 76 1.213 -11.100 6.323 588 HG2 MET 76 1HG MET 76 1.768 -8.340 7.014 589 HG3 MET 76 2HG MET 76 2.631 -8.863 5.570 590 HE1 MET 76 1HE MET 76 0.530 -9.564 2.979 591 HE2 MET 76 2HE MET 76 1.527 -10.524 4.073 592 HE3 MET 76 3HE MET 76 -0.209 -10.825 3.968 593 H LYS 77 H LYS 77 1.887 -8.115 9.149 594 HA LYS 77 HA LYS 77 -1.002 -7.850 9.629 595 HB2 LYS 77 1HB LYS 77 1.419 -6.741 10.942 596 HB3 LYS 77 2HB LYS 77 0.013 -5.689 10.861 597 HG2 LYS 77 1HG LYS 77 -1.331 -7.404 11.977 598 HG3 LYS 77 2HG LYS 77 0.091 -8.447 12.070 599 HD2 LYS 77 1HD LYS 77 0.924 -6.020 13.147 600 HD3 LYS 77 2HD LYS 77 -0.707 -6.252 13.779 601 HE2 LYS 77 1HE LYS 77 0.234 -7.565 15.320 602 HE3 LYS 77 2HE LYS 77 0.433 -8.749 14.029 603 HZ1 LYS 77 1HZ LYS 77 2.599 -8.606 14.417 604 HZ2 LYS 77 2HZ LYS 77 2.416 -7.267 15.434 605 HZ3 LYS 77 3HZ LYS 77 2.564 -7.046 13.763 606 H LEU 78 H LEU 78 -1.861 -5.584 9.319 607 HA LEU 78 HA LEU 78 -0.533 -4.050 7.234 608 HB2 LEU 78 1HB LEU 78 -3.114 -5.520 6.872 609 HB3 LEU 78 2HB LEU 78 -2.809 -4.022 5.995 610 HG LEU 78 HG LEU 78 -0.751 -6.151 5.808 611 HD11 LEU 78 1HD1 LEU 78 -3.313 -6.964 5.498 612 HD12 LEU 78 2HD1 LEU 78 -1.940 -7.648 4.629 613 HD13 LEU 78 3HD1 LEU 78 -2.938 -6.412 3.866 614 HD21 LEU 78 1HD2 LEU 78 -0.095 -4.487 4.443 615 HD22 LEU 78 2HD2 LEU 78 -1.726 -3.833 4.281 616 HD23 LEU 78 3HD2 LEU 78 -1.234 -5.226 3.316 617 H TYR 79 H TYR 79 -0.890 -1.923 7.447 618 HA TYR 79 HA TYR 79 -3.175 -1.045 9.079 619 HB2 TYR 79 1HB TYR 79 -0.346 0.006 9.283 620 HB3 TYR 79 2HB TYR 79 -1.738 0.642 10.152 621 HD1 TYR 79 1HD TYR 79 -3.112 -1.517 11.294 622 HD2 TYR 79 2HD TYR 79 1.080 -1.165 10.657 623 HE1 TYR 79 1HE TYR 79 -2.707 -3.114 13.119 624 HE2 TYR 79 2HE TYR 79 1.496 -2.762 12.480 625 HH TYR 79 HH TYR 79 0.582 -4.158 13.950 626 H PHE 80 H PHE 80 -4.352 0.502 8.160 627 HA PHE 80 HA PHE 80 -3.862 1.434 5.568 628 HB2 PHE 80 1HB PHE 80 -5.824 1.996 7.701 629 HB3 PHE 80 2HB PHE 80 -5.598 3.292 6.532 630 HD1 PHE 80 1HD PHE 80 -6.406 -0.311 6.837 631 HD2 PHE 80 2HD PHE 80 -6.597 3.190 4.425 632 HE1 PHE 80 1HE PHE 80 -7.889 -1.482 5.262 633 HE2 PHE 80 2HE PHE 80 -8.082 2.026 2.846 634 HZ PHE 80 HZ PHE 80 -8.730 -0.313 3.263 635 H ALA 81 H ALA 81 -2.021 2.528 5.163 636 HA ALA 81 HA ALA 81 -0.634 4.248 6.811 637 HB1 ALA 81 1HB ALA 81 -0.063 3.291 4.457 638 HB2 ALA 81 2HB ALA 81 -0.755 4.809 3.880 639 HB3 ALA 81 3HB ALA 81 0.630 4.830 4.973 640 H GLN 82 H GLN 82 -1.549 5.882 7.898 641 HA GLN 82 HA GLN 82 -3.655 7.486 6.797 642 HB2 GLN 82 1HB GLN 82 -2.247 7.256 9.378 643 HB3 GLN 82 2HB GLN 82 -2.837 8.868 8.993 644 HG2 GLN 82 1HG GLN 82 -4.918 7.061 8.395 645 HG3 GLN 82 2HG GLN 82 -4.275 6.616 9.975 646 HE21 GLN 82 2HE2 GLN 82 -5.843 7.348 11.282 647 HE22 GLN 82 1HE2 GLN 82 -6.344 8.998 11.388 648 H THR 83 H THR 83 -0.315 8.206 7.819 649 HA THR 83 HA THR 83 0.197 9.869 5.580 650 HB THR 83 HB THR 83 -1.114 11.572 6.504 651 HG1 THR 83 1HG THR 83 0.550 12.850 6.247 652 HG21 THR 83 1HG2 THR 83 0.110 10.954 9.197 653 HG22 THR 83 2HG2 THR 83 -1.524 10.532 8.682 654 HG23 THR 83 3HG2 THR 83 -1.066 12.225 8.865 655 H LEU 84 H LEU 84 2.358 10.442 5.424 656 HA LEU 84 HA LEU 84 4.186 8.901 6.937 657 HB2 LEU 84 1HB LEU 84 5.907 9.978 5.654 658 HB3 LEU 84 2HB LEU 84 4.553 9.580 4.598 659 HG LEU 84 HG LEU 84 4.828 12.335 5.743 660 HD11 LEU 84 1HD1 LEU 84 5.934 11.781 3.051 661 HD12 LEU 84 2HD1 LEU 84 6.925 11.345 4.443 662 HD13 LEU 84 3HD1 LEU 84 6.383 13.009 4.235 663 HD21 LEU 84 1HD2 LEU 84 2.862 12.393 4.657 664 HD22 LEU 84 2HD2 LEU 84 3.234 10.965 3.691 665 HD23 LEU 84 3HD2 LEU 84 3.869 12.542 3.216 666 H HIS 85 H HIS 85 5.970 9.697 8.226 667 HA HIS 85 HA HIS 85 5.506 12.294 9.510 668 HB2 HIS 85 1HB HIS 85 4.588 10.177 10.781 669 HB3 HIS 85 2HB HIS 85 6.281 9.962 11.219 670 HD1 HIS 85 1HD HIS 85 3.460 11.152 12.749 671 HD2 HIS 85 2HD HIS 85 7.176 12.887 12.083 672 HE1 HIS 85 1HE HIS 85 3.667 12.977 14.467 673 H ILE 86 H ILE 86 7.697 9.490 9.361 674 HA ILE 86 HA ILE 86 9.964 9.333 9.249 675 HB ILE 86 HB ILE 86 9.812 12.192 8.285 676 HG12 ILE 86 1HG1 ILE 86 9.886 9.588 6.744 677 HG13 ILE 86 2HG1 ILE 86 8.492 10.650 6.900 678 HG21 ILE 86 1HG2 ILE 86 12.000 10.592 7.278 679 HG22 ILE 86 2HG2 ILE 86 12.024 12.178 8.047 680 HG23 ILE 86 3HG2 ILE 86 12.041 10.719 9.036 681 HD11 ILE 86 1HD1 ILE 86 11.090 11.476 5.637 682 HD12 ILE 86 2HD1 ILE 86 9.708 10.843 4.744 683 HD13 ILE 86 3HD1 ILE 86 9.564 12.358 5.633 684 H GLY 87 H GLY 87 11.658 9.530 10.644 685 HA2 GLY 87 1HA GLY 87 11.235 10.736 13.145 686 HA3 GLY 87 2HA GLY 87 12.771 10.110 12.563 687 H SER 88 H SER 88 13.505 11.993 13.909 688 HA SER 88 HA SER 88 14.051 14.216 12.140 689 HB2 SER 88 1HB SER 88 12.587 14.617 14.758 690 HB3 SER 88 2HB SER 88 13.336 15.917 13.830 691 HG SER 88 HG SER 88 11.229 15.853 13.200 692 H SER 89 H SER 89 14.303 13.088 15.507 693 HA SER 89 HA SER 89 16.590 14.458 16.246 694 HB2 SER 89 1HB SER 89 16.897 12.747 17.963 695 HB3 SER 89 2HB SER 89 15.184 13.139 17.803 696 HG SER 89 HG SER 89 14.872 11.246 16.677 697 H HIS 90 H HIS 90 18.207 14.574 14.751 698 HA HIS 90 HA HIS 90 19.999 12.360 14.585 699 HB2 HIS 90 1HB HIS 90 19.782 11.683 12.397 700 HB3 HIS 90 2HB HIS 90 18.101 12.059 12.764 701 HD1 HIS 90 1HD HIS 90 19.905 12.267 9.972 702 HD2 HIS 90 2HD HIS 90 18.184 15.291 12.242 703 HE1 HIS 90 1HE HIS 90 19.633 14.214 8.403 704 H LEU 91 H LEU 91 21.831 12.935 12.942 705 HA LEU 91 HA LEU 91 23.252 15.060 13.765 706 HB2 LEU 91 1HB LEU 91 23.155 13.551 11.235 707 HB3 LEU 91 2HB LEU 91 23.978 15.107 11.164 708 HG LEU 91 HG LEU 91 25.077 13.934 13.397 709 HD11 LEU 91 1HD1 LEU 91 25.327 11.768 11.412 710 HD12 LEU 91 2HD1 LEU 91 23.804 11.843 12.296 711 HD13 LEU 91 3HD1 LEU 91 25.327 11.702 13.174 712 HD21 LEU 91 1HD2 LEU 91 26.656 14.920 12.138 713 HD22 LEU 91 2HD2 LEU 91 25.866 14.491 10.621 714 HD23 LEU 91 3HD2 LEU 91 26.864 13.304 11.463 715 H ALA 92 H ALA 92 23.610 17.209 13.128 716 HA ALA 92 HA ALA 92 21.357 18.772 12.678 717 HB1 ALA 92 1HB ALA 92 23.008 20.037 13.581 718 HB2 ALA 92 2HB ALA 92 24.279 19.248 12.646 719 HB3 ALA 92 3HB ALA 92 23.257 20.469 11.889 720 HA PRO 93 HA PRO 93 20.607 18.496 8.348 721 HB2 PRO 93 1HB PRO 93 19.268 20.832 7.996 722 HB3 PRO 93 2HB PRO 93 18.555 19.427 8.798 723 HG2 PRO 93 1HG PRO 93 19.784 21.876 10.004 724 HG3 PRO 93 2HG PRO 93 18.302 21.022 10.472 725 HD2 PRO 93 1HD PRO 93 20.643 20.710 11.796 726 HD3 PRO 93 2HD PRO 93 19.455 19.401 11.638 727 HA PRO 94 HA PRO 94 23.647 20.776 6.135 728 HB2 PRO 94 1HB PRO 94 22.463 21.076 3.711 729 HB3 PRO 94 2HB PRO 94 23.088 19.528 4.289 730 HG2 PRO 94 1HG PRO 94 20.275 20.554 4.286 731 HG3 PRO 94 2HG PRO 94 20.878 18.941 3.863 732 HD2 PRO 94 1HD PRO 94 19.756 19.494 6.265 733 HD3 PRO 94 2HD PRO 94 21.044 18.288 6.068 734 H ASN 95 H ASN 95 23.811 22.740 4.540 735 HA ASN 95 HA ASN 95 22.623 24.983 5.915 736 HB2 ASN 95 1HB ASN 95 24.736 24.640 3.824 737 HB3 ASN 95 2HB ASN 95 23.990 26.222 4.031 738 HD21 ASN 95 2HD2 ASN 95 26.625 24.613 4.782 739 HD22 ASN 95 1HD2 ASN 95 26.988 25.264 6.342 740 HA PRO 96 HA PRO 96 19.267 25.716 3.169 741 HB2 PRO 96 1HB PRO 96 18.996 28.401 3.470 742 HB3 PRO 96 2HB PRO 96 18.519 27.241 4.716 743 HG2 PRO 96 1HG PRO 96 21.017 28.876 4.508 744 HG3 PRO 96 2HG PRO 96 20.010 28.550 5.930 745 HD2 PRO 96 1HD PRO 96 22.322 27.226 5.447 746 HD3 PRO 96 2HD PRO 96 20.942 26.469 6.268 747 H ASP 97 H ASP 97 18.646 27.602 1.496 748 HA ASP 97 HA ASP 97 20.884 28.594 -0.025 749 HB2 ASP 97 1HB ASP 97 19.054 26.652 -1.428 750 HB3 ASP 97 2HB ASP 97 20.572 27.334 -2.007 751 H LYS 98 H LYS 98 17.471 27.711 -0.590 752 HA LYS 98 HA LYS 98 17.005 30.470 -1.499 753 HB2 LYS 98 1HB LYS 98 16.516 28.210 -2.882 754 HB3 LYS 98 2HB LYS 98 14.982 28.372 -2.039 755 HG2 LYS 98 1HG LYS 98 15.852 30.878 -3.206 756 HG3 LYS 98 2HG LYS 98 15.695 29.594 -4.408 757 HD2 LYS 98 1HD LYS 98 13.422 29.204 -3.804 758 HD3 LYS 98 2HD LYS 98 13.557 30.246 -2.386 759 HE2 LYS 98 1HE LYS 98 12.993 32.022 -3.595 760 HE3 LYS 98 2HE LYS 98 14.314 31.716 -4.719 761 HZ1 LYS 98 1HZ LYS 98 11.650 31.549 -5.280 762 HZ2 LYS 98 2HZ LYS 98 12.118 29.932 -5.120 763 HZ3 LYS 98 3HZ LYS 98 12.907 30.935 -6.231 764 H SER 99 H SER 99 14.966 31.469 -0.942 765 HA SER 99 HA SER 99 13.086 30.485 0.839 766 HB2 SER 99 1HB SER 99 15.520 30.873 2.161 767 HB3 SER 99 2HB SER 99 14.544 32.276 2.598 768 HG SER 99 HG SER 99 14.329 30.291 3.926 769 H GLY 100 H GLY 100 11.474 31.729 0.152 770 HA2 GLY 100 1HA GLY 100 11.589 34.587 0.575 771 HA3 GLY 100 2HA GLY 100 11.506 34.117 -1.117 772 HA PRO 101 HA PRO 101 7.289 33.929 1.227 773 HB2 PRO 101 1HB PRO 101 6.441 36.502 1.063 774 HB3 PRO 101 2HB PRO 101 7.332 35.873 2.452 775 HG2 PRO 101 1HG PRO 101 8.332 37.471 0.128 776 HG3 PRO 101 2HG PRO 101 8.718 37.640 1.850 777 HD2 PRO 101 1HD PRO 101 10.367 36.391 0.103 778 HD3 PRO 101 2HD PRO 101 10.241 35.910 1.808 779 H SER 102 H SER 102 5.131 34.826 0.233 780 HA SER 102 HA SER 102 5.260 35.410 -2.592 781 HB2 SER 102 1HB SER 102 4.088 32.785 -1.638 782 HB3 SER 102 2HB SER 102 3.980 33.415 -3.281 783 HG SER 102 HG SER 102 6.469 33.499 -2.892 784 H SER 103 H SER 103 3.451 36.421 -3.312 785 HA SER 103 HA SER 103 0.993 36.283 -1.757 786 HB2 SER 103 1HB SER 103 0.832 38.761 -1.616 787 HB3 SER 103 2HB SER 103 2.176 38.112 -0.676 788 HG SER 103 HG SER 103 3.406 38.564 -2.741 789 H GLY 104 H GLY 104 -0.857 37.051 -2.882 790 HA2 GLY 104 1HA GLY 104 -2.128 37.003 -4.817 791 HA3 GLY 104 2HA GLY 104 -1.103 38.371 -5.228 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -10.546 13.146 -11.396 2 HA2 GLY 1 1HA GLY 1 -8.901 15.216 -11.136 3 HA3 GLY 1 2HA GLY 1 -10.447 16.052 -11.159 4 H SER 2 H SER 2 -8.251 15.463 -9.074 5 HA SER 2 HA SER 2 -8.139 15.169 -6.822 6 HB2 SER 2 1HB SER 2 -9.885 16.806 -6.646 7 HB3 SER 2 2HB SER 2 -11.117 15.624 -7.091 8 HG SER 2 HG SER 2 -9.849 16.049 -4.663 9 H SER 3 H SER 3 -8.181 13.530 -5.299 10 HA SER 3 HA SER 3 -9.982 11.333 -5.406 11 HB2 SER 3 1HB SER 3 -8.431 9.592 -6.135 12 HB3 SER 3 2HB SER 3 -8.612 10.805 -7.402 13 HG SER 3 HG SER 3 -6.381 9.984 -6.274 14 H GLY 4 H GLY 4 -9.436 9.650 -3.817 15 HA2 GLY 4 1HA GLY 4 -8.024 10.855 -1.553 16 HA3 GLY 4 2HA GLY 4 -9.137 9.498 -1.476 17 H SER 5 H SER 5 -6.320 9.933 -0.495 18 HA SER 5 HA SER 5 -4.477 8.438 -1.941 19 HB2 SER 5 1HB SER 5 -4.779 9.220 0.912 20 HB3 SER 5 2HB SER 5 -3.650 7.912 0.556 21 HG SER 5 HG SER 5 -2.978 9.578 -1.191 22 H SER 6 H SER 6 -3.736 6.277 -1.722 23 HA SER 6 HA SER 6 -5.589 4.392 -0.453 24 HB2 SER 6 1HB SER 6 -4.599 4.136 -3.304 25 HB3 SER 6 2HB SER 6 -5.584 2.953 -2.444 26 HG SER 6 HG SER 6 -6.535 5.569 -2.561 27 H GLY 7 H GLY 7 -3.407 4.889 0.856 28 HA2 GLY 7 1HA GLY 7 -1.292 3.055 -0.016 29 HA3 GLY 7 2HA GLY 7 -1.157 4.252 1.263 30 H LEU 8 H LEU 8 -0.260 1.680 1.646 31 HA LEU 8 HA LEU 8 -1.925 0.867 3.873 32 HB2 LEU 8 1HB LEU 8 -1.416 -0.874 1.483 33 HB3 LEU 8 2HB LEU 8 -1.742 -1.563 3.073 34 HG LEU 8 HG LEU 8 -3.618 0.280 1.594 35 HD11 LEU 8 1HD1 LEU 8 -4.563 -2.408 1.911 36 HD12 LEU 8 2HD1 LEU 8 -3.027 -2.405 1.044 37 HD13 LEU 8 3HD1 LEU 8 -4.382 -1.451 0.440 38 HD21 LEU 8 1HD2 LEU 8 -5.071 -1.165 3.397 39 HD22 LEU 8 2HD2 LEU 8 -4.481 0.479 3.650 40 HD23 LEU 8 3HD2 LEU 8 -3.564 -0.893 4.274 41 H ILE 9 H ILE 9 -0.712 0.212 5.541 42 HA ILE 9 HA ILE 9 2.163 -0.078 5.103 43 HB ILE 9 HB ILE 9 0.658 0.162 7.710 44 HG12 ILE 9 1HG1 ILE 9 0.443 2.174 6.283 45 HG13 ILE 9 2HG1 ILE 9 1.386 2.486 7.737 46 HG21 ILE 9 1HG2 ILE 9 3.553 0.003 6.994 47 HG22 ILE 9 2HG2 ILE 9 3.047 0.907 8.421 48 HG23 ILE 9 3HG2 ILE 9 2.670 -0.811 8.285 49 HD11 ILE 9 1HD1 ILE 9 2.824 3.451 6.332 50 HD12 ILE 9 2HD1 ILE 9 3.326 1.802 5.959 51 HD13 ILE 9 3HD1 ILE 9 2.158 2.623 4.925 52 H ALA 10 H ALA 10 2.565 -2.138 4.473 53 HA ALA 10 HA ALA 10 1.335 -4.355 5.922 54 HB1 ALA 10 1HB ALA 10 3.267 -4.607 3.636 55 HB2 ALA 10 2HB ALA 10 2.041 -5.754 4.179 56 HB3 ALA 10 3HB ALA 10 1.557 -4.257 3.382 57 H CYS 11 H CYS 11 2.297 -5.064 7.703 58 HA CYS 11 HA CYS 11 5.185 -4.715 8.019 59 HB2 CYS 11 1HB CYS 11 3.670 -3.902 9.815 60 HB3 CYS 11 2HB CYS 11 3.125 -5.556 10.068 61 HG CYS 11 HG CYS 11 6.322 -4.435 10.564 62 H VAL 12 H VAL 12 6.347 -6.357 7.248 63 HA VAL 12 HA VAL 12 5.306 -9.085 7.432 64 HB VAL 12 HB VAL 12 7.934 -8.537 6.157 65 HG11 VAL 12 1HG1 VAL 12 7.246 -10.260 4.654 66 HG12 VAL 12 2HG1 VAL 12 6.857 -10.790 6.291 67 HG13 VAL 12 3HG1 VAL 12 5.583 -10.180 5.234 68 HG21 VAL 12 1HG2 VAL 12 6.736 -7.886 4.043 69 HG22 VAL 12 2HG2 VAL 12 5.297 -7.617 5.027 70 HG23 VAL 12 3HG2 VAL 12 6.750 -6.656 5.308 71 H ALA 13 H ALA 13 6.371 -10.740 8.486 72 HA ALA 13 HA ALA 13 8.340 -9.871 10.483 73 HB1 ALA 13 1HB ALA 13 6.803 -12.457 10.482 74 HB2 ALA 13 2HB ALA 13 7.664 -11.702 11.824 75 HB3 ALA 13 3HB ALA 13 6.187 -10.970 11.201 76 H ASN 14 H ASN 14 7.975 -11.799 7.667 77 HA ASN 14 HA ASN 14 10.228 -13.518 8.177 78 HB2 ASN 14 1HB ASN 14 8.084 -13.431 6.309 79 HB3 ASN 14 2HB ASN 14 9.588 -13.416 5.394 80 HD21 ASN 14 2HD2 ASN 14 7.674 -15.510 5.451 81 HD22 ASN 14 1HD2 ASN 14 8.448 -16.906 6.109 82 H ASP 15 H ASP 15 12.117 -12.442 8.390 83 HA ASP 15 HA ASP 15 12.911 -10.114 7.120 84 HB2 ASP 15 1HB ASP 15 14.047 -11.329 9.053 85 HB3 ASP 15 2HB ASP 15 14.818 -12.340 7.834 86 H ASP 16 H ASP 16 12.915 -13.397 5.950 87 HA ASP 16 HA ASP 16 14.711 -13.228 3.842 88 HB2 ASP 16 1HB ASP 16 12.548 -14.983 4.639 89 HB3 ASP 16 2HB ASP 16 12.600 -14.800 2.888 90 H VAL 17 H VAL 17 11.271 -12.367 3.922 91 HA VAL 17 HA VAL 17 10.761 -11.806 1.302 92 HB VAL 17 HB VAL 17 9.859 -10.347 3.775 93 HG11 VAL 17 1HG1 VAL 17 9.274 -9.759 0.906 94 HG12 VAL 17 2HG1 VAL 17 8.023 -9.504 2.125 95 HG13 VAL 17 3HG1 VAL 17 9.561 -8.648 2.245 96 HG21 VAL 17 1HG2 VAL 17 7.662 -11.476 2.776 97 HG22 VAL 17 2HG2 VAL 17 8.859 -12.582 2.103 98 HG23 VAL 17 3HG2 VAL 17 8.765 -12.339 3.848 99 H PHE 18 H PHE 18 12.820 -10.045 3.475 100 HA PHE 18 HA PHE 18 13.049 -7.780 1.663 101 HB2 PHE 18 1HB PHE 18 14.536 -8.295 4.244 102 HB3 PHE 18 2HB PHE 18 14.434 -6.769 3.373 103 HD1 PHE 18 1HD PHE 18 12.442 -9.252 5.259 104 HD2 PHE 18 2HD PHE 18 12.671 -5.278 3.754 105 HE1 PHE 18 1HE PHE 18 10.449 -8.646 6.567 106 HE2 PHE 18 2HE PHE 18 10.678 -4.665 5.060 107 HZ PHE 18 HZ PHE 18 9.565 -6.349 6.469 108 H SER 19 H SER 19 13.848 -10.073 0.417 109 HA SER 19 HA SER 19 16.737 -9.621 0.146 110 HB2 SER 19 1HB SER 19 15.446 -12.358 0.109 111 HB3 SER 19 2HB SER 19 17.165 -12.002 -0.056 112 HG SER 19 HG SER 19 16.096 -12.597 2.130 113 H GLU 20 H GLU 20 17.606 -10.287 -1.937 114 HA GLU 20 HA GLU 20 15.758 -9.662 -4.069 115 HB2 GLU 20 1HB GLU 20 17.689 -9.519 -5.485 116 HB3 GLU 20 2HB GLU 20 18.070 -8.723 -3.964 117 HG2 GLU 20 1HG GLU 20 19.969 -9.918 -4.196 118 HG3 GLU 20 2HG GLU 20 18.997 -11.140 -3.378 119 H SER 21 H SER 21 16.959 -12.467 -2.586 120 HA SER 21 HA SER 21 17.329 -14.362 -4.467 121 HB2 SER 21 1HB SER 21 15.860 -14.452 -1.854 122 HB3 SER 21 2HB SER 21 15.899 -15.886 -2.879 123 HG SER 21 HG SER 21 17.641 -15.925 -1.453 124 H GLU 22 H GLU 22 14.064 -14.016 -3.094 125 HA GLU 22 HA GLU 22 12.729 -13.598 -5.528 126 HB2 GLU 22 1HB GLU 22 13.640 -15.994 -5.789 127 HB3 GLU 22 2HB GLU 22 12.428 -16.443 -4.598 128 HG2 GLU 22 1HG GLU 22 10.654 -15.821 -6.017 129 HG3 GLU 22 2HG GLU 22 11.738 -14.980 -7.124 130 H THR 23 H THR 23 12.619 -15.030 -2.314 131 HA THR 23 HA THR 23 10.042 -15.248 -1.653 132 HB THR 23 HB THR 23 11.899 -13.613 0.078 133 HG1 THR 23 1HG THR 23 11.924 -16.327 -0.617 134 HG21 THR 23 1HG2 THR 23 9.270 -14.493 0.450 135 HG22 THR 23 2HG2 THR 23 10.363 -13.857 1.678 136 HG23 THR 23 3HG2 THR 23 10.269 -15.595 1.396 137 H ARG 24 H ARG 24 11.723 -12.151 -2.023 138 HA ARG 24 HA ARG 24 9.818 -10.385 -1.153 139 HB2 ARG 24 1HB ARG 24 12.003 -9.652 -1.913 140 HB3 ARG 24 2HB ARG 24 11.623 -10.129 -3.563 141 HG2 ARG 24 1HG ARG 24 9.700 -8.444 -3.402 142 HG3 ARG 24 2HG ARG 24 10.543 -7.828 -1.979 143 HD2 ARG 24 1HD ARG 24 11.263 -6.521 -3.823 144 HD3 ARG 24 2HD ARG 24 12.591 -7.608 -3.419 145 HE ARG 24 HE ARG 24 10.903 -8.706 -5.433 146 HH11 ARG 24 2HH1 ARG 24 13.467 -6.417 -4.881 147 HH12 ARG 24 1HH1 ARG 24 14.081 -6.516 -6.498 148 HH21 ARG 24 2HH2 ARG 24 11.702 -8.846 -7.565 149 HH22 ARG 24 1HH2 ARG 24 13.077 -7.898 -8.024 150 H ALA 25 H ALA 25 10.135 -11.527 -4.521 151 HA ALA 25 HA ALA 25 7.964 -10.351 -5.665 152 HB1 ALA 25 1HB ALA 25 9.447 -12.844 -6.149 153 HB2 ALA 25 2HB ALA 25 7.832 -12.774 -6.856 154 HB3 ALA 25 3HB ALA 25 9.024 -11.537 -7.256 155 H LYS 26 H LYS 26 7.914 -13.529 -4.044 156 HA LYS 26 HA LYS 26 5.312 -14.237 -4.273 157 HB2 LYS 26 1HB LYS 26 7.058 -14.433 -1.815 158 HB3 LYS 26 2HB LYS 26 5.514 -15.258 -1.982 159 HG2 LYS 26 1HG LYS 26 6.313 -16.713 -3.588 160 HG3 LYS 26 2HG LYS 26 7.648 -15.647 -4.035 161 HD2 LYS 26 1HD LYS 26 8.241 -16.129 -1.440 162 HD3 LYS 26 2HD LYS 26 7.454 -17.648 -1.880 163 HE2 LYS 26 1HE LYS 26 9.456 -16.568 -3.776 164 HE3 LYS 26 2HE LYS 26 10.065 -17.196 -2.246 165 HZ1 LYS 26 1HZ LYS 26 8.825 -19.267 -2.720 166 HZ2 LYS 26 2HZ LYS 26 10.049 -18.949 -3.842 167 HZ3 LYS 26 3HZ LYS 26 8.433 -18.658 -4.249 168 H PHE 27 H PHE 27 6.613 -11.870 -1.983 169 HA PHE 27 HA PHE 27 4.116 -11.359 -0.710 170 HB2 PHE 27 1HB PHE 27 6.099 -10.860 0.521 171 HB3 PHE 27 2HB PHE 27 6.728 -9.848 -0.775 172 HD1 PHE 27 2HD PHE 27 5.631 -7.657 -1.254 173 HD2 PHE 27 1HD PHE 27 4.676 -9.987 2.178 174 HE1 PHE 27 2HE PHE 27 4.630 -5.676 -0.190 175 HE2 PHE 27 1HE PHE 27 3.673 -8.011 3.246 176 HZ PHE 27 HZ PHE 27 3.651 -5.851 2.062 177 H GLU 28 H GLU 28 5.981 -9.683 -3.223 178 HA GLU 28 HA GLU 28 4.273 -7.491 -3.555 179 HB2 GLU 28 1HB GLU 28 6.517 -8.674 -4.966 180 HB3 GLU 28 2HB GLU 28 5.326 -8.024 -6.084 181 HG2 GLU 28 1HG GLU 28 5.419 -5.875 -4.842 182 HG3 GLU 28 2HG GLU 28 6.732 -6.545 -3.875 183 H SER 29 H SER 29 4.479 -10.426 -5.578 184 HA SER 29 HA SER 29 2.478 -10.089 -7.330 185 HB2 SER 29 1HB SER 29 3.613 -12.152 -7.428 186 HB3 SER 29 2HB SER 29 3.216 -12.550 -5.756 187 HG SER 29 HG SER 29 1.271 -13.201 -6.352 188 H LEU 30 H LEU 30 2.016 -11.059 -3.950 189 HA LEU 30 HA LEU 30 -0.684 -11.531 -3.899 190 HB2 LEU 30 1HB LEU 30 0.980 -10.101 -1.833 191 HB3 LEU 30 2HB LEU 30 -0.635 -10.747 -1.550 192 HG LEU 30 HG LEU 30 1.640 -12.508 -2.417 193 HD11 LEU 30 1HD1 LEU 30 2.505 -12.652 -0.353 194 HD12 LEU 30 2HD1 LEU 30 0.932 -12.498 0.430 195 HD13 LEU 30 3HD1 LEU 30 1.783 -11.058 -0.130 196 HD21 LEU 30 1HD2 LEU 30 -0.832 -13.132 -0.814 197 HD22 LEU 30 2HD2 LEU 30 0.296 -14.270 -1.551 198 HD23 LEU 30 3HD2 LEU 30 -0.746 -13.276 -2.570 199 H PHE 31 H PHE 31 0.952 -8.393 -3.670 200 HA PHE 31 HA PHE 31 -1.596 -6.994 -3.660 201 HB2 PHE 31 1HB PHE 31 1.189 -5.820 -3.733 202 HB3 PHE 31 2HB PHE 31 -0.304 -4.984 -3.319 203 HD1 PHE 31 2HD PHE 31 2.175 -7.444 -2.185 204 HD2 PHE 31 1HD PHE 31 -1.267 -5.165 -1.145 205 HE1 PHE 31 2HE PHE 31 2.526 -8.002 0.185 206 HE2 PHE 31 1HE PHE 31 -0.921 -5.720 1.227 207 HZ PHE 31 HZ PHE 31 0.978 -7.141 1.895 208 H ARG 32 H ARG 32 1.357 -6.928 -5.660 209 HA ARG 32 HA ARG 32 0.537 -5.306 -7.696 210 HB2 ARG 32 1HB ARG 32 2.707 -6.901 -7.272 211 HB3 ARG 32 2HB ARG 32 1.942 -7.722 -8.627 212 HG2 ARG 32 1HG ARG 32 2.365 -4.773 -8.746 213 HG3 ARG 32 2HG ARG 32 3.717 -5.868 -9.045 214 HD2 ARG 32 1HD ARG 32 2.244 -7.028 -10.734 215 HD3 ARG 32 2HD ARG 32 1.112 -5.689 -10.544 216 HE ARG 32 HE ARG 32 3.667 -4.668 -11.117 217 HH11 ARG 32 2HH1 ARG 32 1.076 -6.434 -12.630 218 HH12 ARG 32 1HH1 ARG 32 1.437 -5.855 -14.222 219 HH21 ARG 32 2HH2 ARG 32 4.152 -3.899 -13.209 220 HH22 ARG 32 1HH2 ARG 32 3.188 -4.414 -14.550 221 H THR 33 H THR 33 0.006 -8.818 -7.488 222 HA THR 33 HA THR 33 -1.193 -9.435 -9.810 223 HB THR 33 HB THR 33 -0.982 -11.047 -7.977 224 HG1 THR 33 1HG THR 33 -2.600 -11.281 -9.736 225 HG21 THR 33 1HG2 THR 33 -2.057 -9.227 -6.351 226 HG22 THR 33 2HG2 THR 33 -2.124 -10.955 -6.004 227 HG23 THR 33 3HG2 THR 33 -3.516 -10.144 -6.722 228 H TYR 34 H TYR 34 -2.489 -7.310 -7.382 229 HA TYR 34 HA TYR 34 -5.125 -7.234 -8.584 230 HB2 TYR 34 1HB TYR 34 -4.062 -5.384 -6.451 231 HB3 TYR 34 2HB TYR 34 -5.739 -5.785 -6.799 232 HD1 TYR 34 2HD TYR 34 -5.545 -8.746 -7.009 233 HD2 TYR 34 1HD TYR 34 -3.801 -6.046 -4.222 234 HE1 TYR 34 2HE TYR 34 -5.467 -10.541 -5.329 235 HE2 TYR 34 1HE TYR 34 -3.717 -7.832 -2.535 236 HH TYR 34 HH TYR 34 -5.330 -10.258 -2.341 237 H ASP 35 H ASP 35 -2.886 -4.598 -7.730 238 HA ASP 35 HA ASP 35 -3.704 -3.226 -10.201 239 HB2 ASP 35 1HB ASP 35 -3.990 -2.217 -7.785 240 HB3 ASP 35 2HB ASP 35 -2.284 -1.822 -7.972 241 H LYS 36 H LYS 36 -2.191 -2.420 -11.614 242 HA LYS 36 HA LYS 36 0.468 -3.589 -11.395 243 HB2 LYS 36 1HB LYS 36 0.724 -2.881 -13.745 244 HB3 LYS 36 2HB LYS 36 -0.702 -3.880 -13.503 245 HG2 LYS 36 1HG LYS 36 -2.027 -2.297 -14.301 246 HG3 LYS 36 2HG LYS 36 -1.357 -1.097 -13.193 247 HD2 LYS 36 1HD LYS 36 -0.744 -0.155 -15.179 248 HD3 LYS 36 2HD LYS 36 0.662 -1.186 -14.907 249 HE2 LYS 36 1HE LYS 36 -1.744 -1.988 -16.536 250 HE3 LYS 36 2HE LYS 36 -0.270 -1.303 -17.219 251 HZ1 LYS 36 1HZ LYS 36 0.382 -3.460 -15.524 252 HZ2 LYS 36 2HZ LYS 36 0.666 -3.294 -17.182 253 HZ3 LYS 36 3HZ LYS 36 -0.788 -3.966 -16.637 254 H ASP 37 H ASP 37 -1.083 -0.606 -10.877 255 HA ASP 37 HA ASP 37 1.415 0.903 -11.144 256 HB2 ASP 37 1HB ASP 37 -1.385 1.545 -11.467 257 HB3 ASP 37 2HB ASP 37 -0.627 2.641 -10.315 258 H THR 38 H THR 38 0.952 -1.036 -9.004 259 HA THR 38 HA THR 38 0.609 0.606 -6.621 260 HB THR 38 HB THR 38 1.187 -1.746 -5.545 261 HG1 THR 38 1HG THR 38 -0.032 -2.664 -7.911 262 HG21 THR 38 1HG2 THR 38 -1.294 -0.568 -6.598 263 HG22 THR 38 2HG2 THR 38 -0.920 -1.166 -4.982 264 HG23 THR 38 3HG2 THR 38 -1.378 -2.295 -6.256 265 H THR 39 H THR 39 2.234 1.394 -5.446 266 HA THR 39 HA THR 39 4.970 0.705 -6.220 267 HB THR 39 HB THR 39 5.684 2.731 -5.233 268 HG1 THR 39 1HG THR 39 3.352 2.448 -3.747 269 HG21 THR 39 1HG2 THR 39 3.097 3.823 -6.120 270 HG22 THR 39 2HG2 THR 39 3.885 2.736 -7.263 271 HG23 THR 39 3HG2 THR 39 4.730 4.172 -6.686 272 H PHE 40 H PHE 40 6.400 -0.265 -4.886 273 HA PHE 40 HA PHE 40 5.436 -0.997 -2.200 274 HB2 PHE 40 1HB PHE 40 7.336 -2.498 -4.015 275 HB3 PHE 40 2HB PHE 40 6.884 -2.995 -2.387 276 HD1 PHE 40 2HD PHE 40 5.382 -2.174 -5.692 277 HD2 PHE 40 1HD PHE 40 5.097 -4.425 -2.090 278 HE1 PHE 40 2HE PHE 40 3.447 -3.388 -6.607 279 HE2 PHE 40 1HE PHE 40 3.162 -5.642 -2.999 280 HZ PHE 40 HZ PHE 40 2.333 -5.123 -5.259 281 H GLN 41 H GLN 41 6.545 -0.247 -0.521 282 HA GLN 41 HA GLN 41 9.320 0.641 -0.958 283 HB2 GLN 41 1HB GLN 41 7.064 2.166 -0.117 284 HB3 GLN 41 2HB GLN 41 8.173 2.041 1.242 285 HG2 GLN 41 1HG GLN 41 9.783 3.271 0.226 286 HG3 GLN 41 2HG GLN 41 9.332 2.733 -1.390 287 HE21 GLN 41 2HE2 GLN 41 9.474 5.346 0.512 288 HE22 GLN 41 1HE2 GLN 41 8.198 6.296 -0.163 289 H TYR 42 H TYR 42 10.566 -0.835 0.001 290 HA TYR 42 HA TYR 42 9.695 -2.129 2.457 291 HB2 TYR 42 1HB TYR 42 12.069 -2.565 0.643 292 HB3 TYR 42 2HB TYR 42 11.841 -3.438 2.154 293 HD1 TYR 42 1HD TYR 42 10.521 -2.923 -1.245 294 HD2 TYR 42 2HD TYR 42 10.234 -5.208 2.332 295 HE1 TYR 42 1HE TYR 42 9.124 -4.572 -2.418 296 HE2 TYR 42 2HE TYR 42 8.838 -6.865 1.169 297 HH TYR 42 HH TYR 42 7.639 -6.314 -2.063 298 H PHE 43 H PHE 43 10.271 -1.457 4.407 299 HA PHE 43 HA PHE 43 12.575 0.363 4.639 300 HB2 PHE 43 1HB PHE 43 10.211 0.153 6.512 301 HB3 PHE 43 2HB PHE 43 11.493 1.358 6.561 302 HD1 PHE 43 2HD PHE 43 11.724 2.132 3.752 303 HD2 PHE 43 1HD PHE 43 8.265 1.327 6.098 304 HE1 PHE 43 2HE PHE 43 10.396 3.601 2.292 305 HE2 PHE 43 1HE PHE 43 6.932 2.795 4.642 306 HZ PHE 43 HZ PHE 43 7.997 3.935 2.737 307 H LYS 44 H LYS 44 14.226 -0.996 5.123 308 HA LYS 44 HA LYS 44 14.032 -3.267 6.785 309 HB2 LYS 44 1HB LYS 44 15.879 -2.514 5.069 310 HB3 LYS 44 2HB LYS 44 16.606 -1.769 6.486 311 HG2 LYS 44 1HG LYS 44 17.251 -3.736 7.349 312 HG3 LYS 44 2HG LYS 44 15.772 -4.559 6.847 313 HD2 LYS 44 1HD LYS 44 16.725 -4.394 4.469 314 HD3 LYS 44 2HD LYS 44 18.261 -4.025 5.255 315 HE2 LYS 44 1HE LYS 44 18.608 -6.188 5.609 316 HE3 LYS 44 2HE LYS 44 17.121 -6.280 6.552 317 HZ1 LYS 44 1HZ LYS 44 16.452 -6.226 3.832 318 HZ2 LYS 44 2HZ LYS 44 16.214 -7.477 4.946 319 HZ3 LYS 44 3HZ LYS 44 17.647 -7.404 4.050 320 H SER 45 H SER 45 14.533 0.107 7.450 321 HA SER 45 HA SER 45 15.647 -0.130 10.034 322 HB2 SER 45 1HB SER 45 13.977 2.101 8.848 323 HB3 SER 45 2HB SER 45 14.921 2.219 10.333 324 HG SER 45 HG SER 45 16.775 1.666 8.991 325 H PHE 46 H PHE 46 12.323 0.001 8.864 326 HA PHE 46 HA PHE 46 11.407 -0.590 11.602 327 HB2 PHE 46 1HB PHE 46 9.836 0.751 9.391 328 HB3 PHE 46 2HB PHE 46 9.283 0.464 11.038 329 HD1 PHE 46 2HD PHE 46 10.301 1.713 12.914 330 HD2 PHE 46 1HD PHE 46 11.218 2.597 8.854 331 HE1 PHE 46 2HE PHE 46 11.205 3.897 13.597 332 HE2 PHE 46 1HE PHE 46 12.124 4.783 9.530 333 HZ PHE 46 HZ PHE 46 12.117 5.435 11.905 334 H LYS 47 H LYS 47 12.271 -2.330 9.259 335 HA LYS 47 HA LYS 47 11.486 -4.117 8.013 336 HB2 LYS 47 1HB LYS 47 10.466 -4.649 10.808 337 HB3 LYS 47 2HB LYS 47 10.539 -5.864 9.539 338 HG2 LYS 47 1HG LYS 47 12.986 -4.350 10.364 339 HG3 LYS 47 2HG LYS 47 12.438 -5.768 11.262 340 HD2 LYS 47 1HD LYS 47 12.368 -6.884 8.906 341 HD3 LYS 47 2HD LYS 47 13.459 -5.572 8.458 342 HE2 LYS 47 1HE LYS 47 15.118 -6.842 9.233 343 HE3 LYS 47 2HE LYS 47 14.490 -6.518 10.848 344 HZ1 LYS 47 1HZ LYS 47 14.828 -8.936 10.139 345 HZ2 LYS 47 2HZ LYS 47 13.420 -8.738 9.224 346 HZ3 LYS 47 3HZ LYS 47 13.373 -8.533 10.902 347 H ARG 48 H ARG 48 9.797 -2.005 7.510 348 HA ARG 48 HA ARG 48 7.134 -3.269 7.532 349 HB2 ARG 48 1HB ARG 48 8.013 -0.500 8.020 350 HB3 ARG 48 2HB ARG 48 6.624 -0.653 6.954 351 HG2 ARG 48 1HG ARG 48 5.542 -2.070 8.713 352 HG3 ARG 48 2HG ARG 48 6.880 -1.638 9.782 353 HD2 ARG 48 1HD ARG 48 5.109 0.378 8.410 354 HD3 ARG 48 2HD ARG 48 4.815 -0.236 10.037 355 HE ARG 48 HE ARG 48 7.398 0.678 10.073 356 HH11 ARG 48 2HH1 ARG 48 4.278 2.043 9.354 357 HH12 ARG 48 1HH1 ARG 48 4.710 3.638 9.874 358 HH21 ARG 48 2HH2 ARG 48 7.980 2.774 10.761 359 HH22 ARG 48 1HH2 ARG 48 6.817 4.053 10.673 360 H VAL 49 H VAL 49 5.741 -2.340 5.653 361 HA VAL 49 HA VAL 49 7.303 -1.951 3.215 362 HB VAL 49 HB VAL 49 5.258 -4.156 3.509 363 HG11 VAL 49 1HG1 VAL 49 6.702 -3.026 1.136 364 HG12 VAL 49 2HG1 VAL 49 6.118 -4.692 1.148 365 HG13 VAL 49 3HG1 VAL 49 4.981 -3.355 1.335 366 HG21 VAL 49 1HG2 VAL 49 7.488 -4.622 4.510 367 HG22 VAL 49 2HG2 VAL 49 7.078 -5.688 3.167 368 HG23 VAL 49 3HG2 VAL 49 8.210 -4.358 2.923 369 H ARG 50 H ARG 50 6.498 -0.034 2.604 370 HA ARG 50 HA ARG 50 3.698 0.603 2.942 371 HB2 ARG 50 1HB ARG 50 5.972 2.117 2.923 372 HB3 ARG 50 2HB ARG 50 5.348 2.407 1.305 373 HG2 ARG 50 1HG ARG 50 3.110 2.692 2.855 374 HG3 ARG 50 2HG ARG 50 4.381 3.352 3.886 375 HD2 ARG 50 1HD ARG 50 4.899 4.356 1.330 376 HD3 ARG 50 2HD ARG 50 3.152 4.477 1.534 377 HE ARG 50 HE ARG 50 4.603 5.449 3.801 378 HH11 ARG 50 2HH1 ARG 50 3.438 6.264 0.623 379 HH12 ARG 50 1HH1 ARG 50 3.392 7.968 0.934 380 HH21 ARG 50 2HH2 ARG 50 4.547 7.691 4.223 381 HH22 ARG 50 1HH2 ARG 50 4.024 8.778 2.982 382 H ILE 51 H ILE 51 2.254 -0.165 1.552 383 HA ILE 51 HA ILE 51 3.018 -0.427 -1.280 384 HB ILE 51 HB ILE 51 0.764 -1.812 0.178 385 HG12 ILE 51 1HG1 ILE 51 2.804 -3.552 -0.879 386 HG13 ILE 51 2HG1 ILE 51 3.528 -2.367 0.202 387 HG21 ILE 51 1HG2 ILE 51 0.506 -1.333 -2.301 388 HG22 ILE 51 2HG2 ILE 51 1.846 -2.451 -2.550 389 HG23 ILE 51 3HG2 ILE 51 0.352 -3.018 -1.802 390 HD11 ILE 51 1HD1 ILE 51 2.156 -4.731 0.866 391 HD12 ILE 51 2HD1 ILE 51 2.830 -3.515 1.952 392 HD13 ILE 51 3HD1 ILE 51 1.158 -3.381 1.407 393 H ASN 52 H ASN 52 2.426 1.389 -2.302 394 HA ASN 52 HA ASN 52 -0.117 2.665 -1.638 395 HB2 ASN 52 1HB ASN 52 1.791 3.696 -3.713 396 HB3 ASN 52 2HB ASN 52 0.684 4.594 -2.679 397 HD21 ASN 52 2HD2 ASN 52 3.102 5.582 -2.803 398 HD22 ASN 52 1HD2 ASN 52 4.024 5.237 -1.383 399 H PHE 53 H PHE 53 -1.882 2.513 -2.870 400 HA PHE 53 HA PHE 53 -1.648 1.086 -5.428 401 HB2 PHE 53 1HB PHE 53 -4.106 1.505 -3.715 402 HB3 PHE 53 2HB PHE 53 -3.999 0.503 -5.159 403 HD1 PHE 53 1HD PHE 53 -2.209 0.888 -1.904 404 HD2 PHE 53 2HD PHE 53 -3.838 -1.753 -4.818 405 HE1 PHE 53 1HE PHE 53 -1.567 -1.037 -0.512 406 HE2 PHE 53 2HE PHE 53 -3.200 -3.682 -3.431 407 HZ PHE 53 HZ PHE 53 -2.064 -3.326 -1.275 408 H SER 54 H SER 54 -3.608 1.703 -6.933 409 HA SER 54 HA SER 54 -3.383 4.588 -7.355 410 HB2 SER 54 1HB SER 54 -4.059 4.168 -9.629 411 HB3 SER 54 2HB SER 54 -2.829 2.978 -9.205 412 HG SER 54 HG SER 54 -5.623 2.504 -9.065 413 H ASN 55 H ASN 55 -5.616 2.214 -6.317 414 HA ASN 55 HA ASN 55 -7.713 4.253 -6.185 415 HB2 ASN 55 1HB ASN 55 -9.412 2.543 -6.839 416 HB3 ASN 55 2HB ASN 55 -8.301 2.963 -8.140 417 HD21 ASN 55 2HD2 ASN 55 -9.352 0.825 -8.808 418 HD22 ASN 55 1HD2 ASN 55 -8.466 -0.602 -8.404 419 HA PRO 56 HA PRO 56 -8.108 2.834 -2.039 420 HB2 PRO 56 1HB PRO 56 -10.627 3.699 -1.515 421 HB3 PRO 56 2HB PRO 56 -9.241 4.791 -1.634 422 HG2 PRO 56 1HG PRO 56 -11.333 4.155 -3.679 423 HG3 PRO 56 2HG PRO 56 -10.632 5.726 -3.245 424 HD2 PRO 56 1HD PRO 56 -9.848 4.336 -5.431 425 HD3 PRO 56 2HD PRO 56 -8.740 5.374 -4.512 426 H LEU 57 H LEU 57 -10.178 1.761 -4.574 427 HA LEU 57 HA LEU 57 -11.861 0.022 -3.128 428 HB2 LEU 57 1HB LEU 57 -10.906 -0.160 -5.982 429 HB3 LEU 57 2HB LEU 57 -12.240 -1.082 -5.293 430 HG LEU 57 HG LEU 57 -12.194 1.925 -5.518 431 HD11 LEU 57 1HD1 LEU 57 -13.717 1.654 -7.392 432 HD12 LEU 57 2HD1 LEU 57 -13.571 -0.100 -7.278 433 HD13 LEU 57 3HD1 LEU 57 -12.172 0.875 -7.730 434 HD21 LEU 57 1HD2 LEU 57 -14.720 0.443 -5.297 435 HD22 LEU 57 2HD2 LEU 57 -14.210 1.944 -4.525 436 HD23 LEU 57 3HD2 LEU 57 -13.696 0.392 -3.862 437 H SER 58 H SER 58 -9.072 -0.833 -5.188 438 HA SER 58 HA SER 58 -8.860 -3.483 -4.396 439 HB2 SER 58 1HB SER 58 -7.439 -1.771 -6.074 440 HB3 SER 58 2HB SER 58 -6.250 -2.294 -4.883 441 HG SER 58 HG SER 58 -6.565 -4.381 -5.473 442 H ALA 59 H ALA 59 -7.221 -0.628 -3.059 443 HA ALA 59 HA ALA 59 -5.493 -1.561 -1.263 444 HB1 ALA 59 1HB ALA 59 -6.192 0.250 0.298 445 HB2 ALA 59 2HB ALA 59 -5.971 0.783 -1.370 446 HB3 ALA 59 3HB ALA 59 -7.596 0.531 -0.732 447 H ALA 60 H ALA 60 -8.982 -1.882 -0.993 448 HA ALA 60 HA ALA 60 -8.948 -2.945 1.662 449 HB1 ALA 60 1HB ALA 60 -10.963 -2.405 -0.403 450 HB2 ALA 60 2HB ALA 60 -11.325 -3.774 0.650 451 HB3 ALA 60 3HB ALA 60 -11.036 -2.179 1.345 452 H ASP 61 H ASP 61 -9.645 -4.443 -1.503 453 HA ASP 61 HA ASP 61 -9.785 -7.077 -0.652 454 HB2 ASP 61 1HB ASP 61 -9.595 -5.689 -3.165 455 HB3 ASP 61 2HB ASP 61 -8.577 -7.127 -3.201 456 H ALA 62 H ALA 62 -7.049 -5.025 -0.928 457 HA ALA 62 HA ALA 62 -5.081 -7.098 -1.161 458 HB1 ALA 62 1HB ALA 62 -3.473 -5.274 -0.643 459 HB2 ALA 62 2HB ALA 62 -4.544 -4.915 -1.998 460 HB3 ALA 62 3HB ALA 62 -4.843 -4.187 -0.420 461 H ARG 63 H ARG 63 -6.775 -5.549 1.437 462 HA ARG 63 HA ARG 63 -4.930 -6.583 3.444 463 HB2 ARG 63 1HB ARG 63 -6.054 -4.271 3.531 464 HB3 ARG 63 2HB ARG 63 -7.513 -5.138 3.994 465 HG2 ARG 63 1HG ARG 63 -6.556 -5.890 6.004 466 HG3 ARG 63 2HG ARG 63 -4.927 -5.451 5.484 467 HD2 ARG 63 1HD ARG 63 -5.173 -3.471 6.455 468 HD3 ARG 63 2HD ARG 63 -6.498 -3.111 5.348 469 HE ARG 63 HE ARG 63 -8.006 -3.586 7.027 470 HH11 ARG 63 2HH1 ARG 63 -4.794 -4.509 8.004 471 HH12 ARG 63 1HH1 ARG 63 -5.231 -4.766 9.660 472 HH21 ARG 63 2HH2 ARG 63 -8.594 -3.922 9.205 473 HH22 ARG 63 1HH2 ARG 63 -7.393 -4.432 10.343 474 H LEU 64 H LEU 64 -8.175 -7.120 2.211 475 HA LEU 64 HA LEU 64 -9.009 -8.929 4.228 476 HB2 LEU 64 1HB LEU 64 -10.916 -8.535 3.171 477 HB3 LEU 64 2HB LEU 64 -10.057 -7.826 1.807 478 HG LEU 64 HG LEU 64 -9.747 -10.247 1.001 479 HD11 LEU 64 1HD1 LEU 64 -12.134 -10.711 2.770 480 HD12 LEU 64 2HD1 LEU 64 -10.497 -11.192 3.217 481 HD13 LEU 64 3HD1 LEU 64 -11.259 -11.884 1.786 482 HD21 LEU 64 1HD2 LEU 64 -11.530 -8.325 0.385 483 HD22 LEU 64 2HD2 LEU 64 -12.623 -9.613 0.893 484 HD23 LEU 64 3HD2 LEU 64 -11.469 -9.898 -0.411 485 H ARG 65 H ARG 65 -7.404 -9.338 1.113 486 HA ARG 65 HA ARG 65 -7.450 -12.216 1.279 487 HB2 ARG 65 1HB ARG 65 -6.397 -10.199 -0.651 488 HB3 ARG 65 2HB ARG 65 -5.717 -11.821 -0.689 489 HG2 ARG 65 1HG ARG 65 -8.458 -12.231 -0.612 490 HG3 ARG 65 2HG ARG 65 -8.245 -10.852 -1.692 491 HD2 ARG 65 1HD ARG 65 -6.752 -12.088 -3.088 492 HD3 ARG 65 2HD ARG 65 -6.685 -13.417 -1.931 493 HE ARG 65 HE ARG 65 -9.348 -13.032 -2.735 494 HH11 ARG 65 2HH1 ARG 65 -6.301 -14.148 -3.994 495 HH12 ARG 65 1HH1 ARG 65 -7.022 -15.225 -5.145 496 HH21 ARG 65 2HH2 ARG 65 -10.309 -14.445 -4.244 497 HH22 ARG 65 1HH2 ARG 65 -9.303 -15.393 -5.287 498 H LEU 66 H LEU 66 -5.532 -9.749 2.563 499 HA LEU 66 HA LEU 66 -3.348 -11.658 3.092 500 HB2 LEU 66 1HB LEU 66 -3.032 -8.671 3.087 501 HB3 LEU 66 2HB LEU 66 -1.772 -9.905 3.065 502 HG LEU 66 HG LEU 66 -3.670 -9.412 0.775 503 HD11 LEU 66 1HD1 LEU 66 -1.670 -7.697 1.646 504 HD12 LEU 66 2HD1 LEU 66 -2.417 -7.727 0.049 505 HD13 LEU 66 3HD1 LEU 66 -0.924 -8.619 0.339 506 HD21 LEU 66 1HD2 LEU 66 -0.994 -10.676 0.509 507 HD22 LEU 66 2HD2 LEU 66 -2.475 -10.953 -0.407 508 HD23 LEU 66 3HD2 LEU 66 -2.299 -11.633 1.211 509 H HIS 67 H HIS 67 -2.144 -9.625 4.902 510 HA HIS 67 HA HIS 67 -2.344 -8.801 7.048 511 HB2 HIS 67 1HB HIS 67 -4.894 -8.640 6.367 512 HB3 HIS 67 2HB HIS 67 -5.040 -10.030 7.440 513 HD1 HIS 67 1HD HIS 67 -2.433 -7.946 8.738 514 HD2 HIS 67 2HD HIS 67 -6.586 -7.891 8.861 515 HE1 HIS 67 1HE HIS 67 -3.029 -6.450 10.669 516 H LYS 68 H LYS 68 -3.997 -10.386 9.030 517 HA LYS 68 HA LYS 68 -2.183 -11.905 10.262 518 HB2 LYS 68 1HB LYS 68 -5.114 -12.513 9.895 519 HB3 LYS 68 2HB LYS 68 -4.086 -13.434 10.985 520 HG2 LYS 68 1HG LYS 68 -4.348 -11.917 12.571 521 HG3 LYS 68 2HG LYS 68 -3.734 -10.650 11.506 522 HD2 LYS 68 1HD LYS 68 -5.822 -9.819 11.868 523 HD3 LYS 68 2HD LYS 68 -6.186 -10.863 10.491 524 HE2 LYS 68 1HE LYS 68 -7.471 -12.216 11.726 525 HE3 LYS 68 2HE LYS 68 -6.304 -12.258 13.046 526 HZ1 LYS 68 1HZ LYS 68 -7.771 -11.035 14.158 527 HZ2 LYS 68 2HZ LYS 68 -8.683 -10.693 12.775 528 HZ3 LYS 68 3HZ LYS 68 -7.339 -9.740 13.157 529 H THR 69 H THR 69 -3.838 -12.788 7.318 530 HA THR 69 HA THR 69 -3.656 -15.407 6.971 531 HB THR 69 HB THR 69 -3.022 -15.117 4.641 532 HG1 THR 69 1HG THR 69 -2.251 -13.095 3.919 533 HG21 THR 69 1HG2 THR 69 -5.163 -14.450 4.536 534 HG22 THR 69 2HG2 THR 69 -4.509 -12.819 4.387 535 HG23 THR 69 3HG2 THR 69 -5.005 -13.430 5.965 536 H GLU 70 H GLU 70 -2.218 -17.012 7.111 537 HA GLU 70 HA GLU 70 0.424 -16.507 8.041 538 HB2 GLU 70 1HB GLU 70 -1.303 -18.815 7.650 539 HB3 GLU 70 2HB GLU 70 0.363 -19.160 7.209 540 HG2 GLU 70 1HG GLU 70 1.145 -18.603 9.375 541 HG3 GLU 70 2HG GLU 70 -0.415 -17.921 9.832 542 H PHE 71 H PHE 71 1.462 -15.277 6.458 543 HA PHE 71 HA PHE 71 1.772 -16.384 3.789 544 HB2 PHE 71 1HB PHE 71 1.498 -14.055 3.730 545 HB3 PHE 71 2HB PHE 71 2.576 -13.802 5.099 546 HD1 PHE 71 2HD PHE 71 5.022 -14.011 4.799 547 HD2 PHE 71 1HD PHE 71 2.320 -14.161 1.512 548 HE1 PHE 71 2HE PHE 71 6.884 -13.571 3.252 549 HE2 PHE 71 1HE PHE 71 4.178 -13.722 -0.039 550 HZ PHE 71 HZ PHE 71 6.463 -13.426 0.829 551 H LEU 72 H LEU 72 3.281 -17.851 3.397 552 HA LEU 72 HA LEU 72 5.198 -19.071 3.495 553 HB2 LEU 72 1HB LEU 72 6.115 -16.280 4.004 554 HB3 LEU 72 2HB LEU 72 7.267 -17.603 4.169 555 HG LEU 72 HG LEU 72 7.367 -16.484 1.969 556 HD11 LEU 72 1HD1 LEU 72 7.048 -19.311 2.471 557 HD12 LEU 72 2HD1 LEU 72 8.199 -18.473 1.433 558 HD13 LEU 72 3HD1 LEU 72 6.600 -18.890 0.818 559 HD21 LEU 72 1HD2 LEU 72 5.583 -16.121 0.676 560 HD22 LEU 72 2HD2 LEU 72 4.627 -16.460 2.119 561 HD23 LEU 72 3HD2 LEU 72 4.944 -17.742 0.948 562 H GLY 73 H GLY 73 3.540 -19.046 5.837 563 HA2 GLY 73 1HA GLY 73 3.640 -20.026 7.920 564 HA3 GLY 73 2HA GLY 73 5.368 -20.243 7.678 565 H LYS 74 H LYS 74 4.338 -17.046 7.218 566 HA LYS 74 HA LYS 74 4.986 -16.334 9.997 567 HB2 LYS 74 1HB LYS 74 6.282 -15.398 7.479 568 HB3 LYS 74 2HB LYS 74 6.080 -14.239 8.788 569 HG2 LYS 74 1HG LYS 74 7.373 -16.912 9.215 570 HG3 LYS 74 2HG LYS 74 8.281 -15.499 8.673 571 HD2 LYS 74 1HD LYS 74 7.978 -14.373 10.668 572 HD3 LYS 74 2HD LYS 74 6.533 -15.297 11.088 573 HE2 LYS 74 1HE LYS 74 8.372 -17.270 11.033 574 HE3 LYS 74 2HE LYS 74 9.384 -15.915 11.531 575 HZ1 LYS 74 1HZ LYS 74 8.635 -16.634 13.542 576 HZ2 LYS 74 2HZ LYS 74 7.155 -17.189 12.941 577 HZ3 LYS 74 3HZ LYS 74 7.402 -15.533 13.183 578 H GLU 75 H GLU 75 3.220 -15.413 10.802 579 HA GLU 75 HA GLU 75 1.117 -14.328 9.314 580 HB2 GLU 75 1HB GLU 75 0.732 -15.054 11.567 581 HB3 GLU 75 2HB GLU 75 1.920 -13.919 12.194 582 HG2 GLU 75 1HG GLU 75 0.348 -12.131 11.122 583 HG3 GLU 75 2HG GLU 75 -0.850 -13.419 11.223 584 H MET 76 H MET 76 0.865 -12.450 8.304 585 HA MET 76 HA MET 76 2.792 -10.300 8.864 586 HB2 MET 76 1HB MET 76 2.958 -11.008 6.591 587 HB3 MET 76 2HB MET 76 1.211 -10.980 6.387 588 HG2 MET 76 1HG MET 76 2.110 -8.393 7.194 589 HG3 MET 76 2HG MET 76 3.063 -8.946 5.819 590 HE1 MET 76 1HE MET 76 0.137 -10.207 3.561 591 HE2 MET 76 2HE MET 76 1.541 -9.255 3.075 592 HE3 MET 76 3HE MET 76 1.728 -10.577 4.228 593 H LYS 77 H LYS 77 2.100 -8.205 9.205 594 HA LYS 77 HA LYS 77 -0.762 -7.928 9.826 595 HB2 LYS 77 1HB LYS 77 1.720 -6.843 11.047 596 HB3 LYS 77 2HB LYS 77 0.305 -5.801 11.055 597 HG2 LYS 77 1HG LYS 77 -0.965 -7.642 12.145 598 HG3 LYS 77 2HG LYS 77 0.546 -8.547 12.262 599 HD2 LYS 77 1HD LYS 77 1.285 -6.166 13.331 600 HD3 LYS 77 2HD LYS 77 -0.410 -6.241 13.822 601 HE2 LYS 77 1HE LYS 77 0.848 -8.791 14.223 602 HE3 LYS 77 2HE LYS 77 1.791 -7.525 15.008 603 HZ1 LYS 77 1HZ LYS 77 -1.068 -8.176 15.441 604 HZ2 LYS 77 2HZ LYS 77 -0.343 -6.767 16.032 605 HZ3 LYS 77 3HZ LYS 77 0.195 -8.281 16.561 606 H LEU 78 H LEU 78 -1.698 -5.749 9.496 607 HA LEU 78 HA LEU 78 -0.412 -4.108 7.470 608 HB2 LEU 78 1HB LEU 78 -2.909 -5.694 7.030 609 HB3 LEU 78 2HB LEU 78 -2.675 -4.157 6.199 610 HG LEU 78 HG LEU 78 -0.476 -6.120 5.970 611 HD11 LEU 78 1HD1 LEU 78 -2.289 -6.757 3.912 612 HD12 LEU 78 2HD1 LEU 78 -3.174 -6.886 5.432 613 HD13 LEU 78 3HD1 LEU 78 -1.688 -7.806 5.196 614 HD21 LEU 78 1HD2 LEU 78 -0.176 -5.144 3.879 615 HD22 LEU 78 2HD2 LEU 78 -0.712 -3.797 4.885 616 HD23 LEU 78 3HD2 LEU 78 -1.848 -4.588 3.791 617 H TYR 79 H TYR 79 -1.166 -1.998 7.402 618 HA TYR 79 HA TYR 79 -3.373 -1.289 9.195 619 HB2 TYR 79 1HB TYR 79 -0.584 -0.139 9.288 620 HB3 TYR 79 2HB TYR 79 -1.974 0.651 10.024 621 HD1 TYR 79 1HD TYR 79 -0.128 -2.591 10.034 622 HD2 TYR 79 2HD TYR 79 -2.548 0.145 12.217 623 HE1 TYR 79 1HE TYR 79 0.191 -3.939 12.066 624 HE2 TYR 79 2HE TYR 79 -2.234 -1.195 14.255 625 HH TYR 79 HH TYR 79 0.013 -3.863 14.374 626 H PHE 80 H PHE 80 -4.665 0.281 8.427 627 HA PHE 80 HA PHE 80 -4.439 1.118 5.747 628 HB2 PHE 80 1HB PHE 80 -6.291 1.577 7.987 629 HB3 PHE 80 2HB PHE 80 -6.215 2.895 6.822 630 HD1 PHE 80 2HD PHE 80 -6.291 2.075 4.289 631 HD2 PHE 80 1HD PHE 80 -7.827 -0.079 7.623 632 HE1 PHE 80 2HE PHE 80 -7.795 0.835 2.789 633 HE2 PHE 80 1HE PHE 80 -9.335 -1.323 6.129 634 HZ PHE 80 HZ PHE 80 -9.322 -0.866 3.709 635 H ALA 81 H ALA 81 -2.608 2.248 5.276 636 HA ALA 81 HA ALA 81 -1.186 4.061 6.679 637 HB1 ALA 81 1HB ALA 81 -0.795 5.238 4.431 638 HB2 ALA 81 2HB ALA 81 -0.361 3.533 4.563 639 HB3 ALA 81 3HB ALA 81 -1.859 4.000 3.759 640 H GLN 82 H GLN 82 -1.410 6.069 7.467 641 HA GLN 82 HA GLN 82 -3.465 7.844 6.438 642 HB2 GLN 82 1HB GLN 82 -4.128 6.242 8.556 643 HB3 GLN 82 2HB GLN 82 -3.543 7.687 9.370 644 HG2 GLN 82 1HG GLN 82 -5.161 8.746 7.452 645 HG3 GLN 82 2HG GLN 82 -5.997 7.245 7.850 646 HE21 GLN 82 2HE2 GLN 82 -5.778 10.419 8.595 647 HE22 GLN 82 1HE2 GLN 82 -6.385 10.388 10.211 648 H THR 83 H THR 83 -3.246 10.034 7.199 649 HA THR 83 HA THR 83 -0.592 10.919 7.319 650 HB THR 83 HB THR 83 -2.323 12.394 6.506 651 HG1 THR 83 1HG THR 83 -0.425 13.153 7.962 652 HG21 THR 83 1HG2 THR 83 -3.577 11.737 9.079 653 HG22 THR 83 2HG2 THR 83 -4.312 12.203 7.546 654 HG23 THR 83 3HG2 THR 83 -3.675 13.439 8.631 655 H LEU 84 H LEU 84 0.784 11.360 8.947 656 HA LEU 84 HA LEU 84 1.608 11.663 11.058 657 HB2 LEU 84 1HB LEU 84 -1.158 11.408 12.182 658 HB3 LEU 84 2HB LEU 84 0.225 12.279 12.842 659 HG LEU 84 HG LEU 84 -0.658 13.317 10.262 660 HD11 LEU 84 1HD1 LEU 84 -2.856 13.250 10.620 661 HD12 LEU 84 2HD1 LEU 84 -2.576 14.444 11.888 662 HD13 LEU 84 3HD1 LEU 84 -2.652 12.729 12.292 663 HD21 LEU 84 1HD2 LEU 84 -0.468 14.700 12.925 664 HD22 LEU 84 2HD2 LEU 84 -0.312 15.400 11.313 665 HD23 LEU 84 3HD2 LEU 84 0.947 14.333 11.938 666 H HIS 85 H HIS 85 -1.119 9.375 11.012 667 HA HIS 85 HA HIS 85 -1.264 7.181 11.604 668 HB2 HIS 85 1HB HIS 85 0.841 6.997 10.255 669 HB3 HIS 85 2HB HIS 85 1.756 7.221 11.743 670 HD1 HIS 85 1HD HIS 85 2.681 5.025 12.382 671 HD2 HIS 85 2HD HIS 85 -1.212 4.700 10.971 672 HE1 HIS 85 1HE HIS 85 2.078 2.596 12.628 673 H ILE 86 H ILE 86 -2.254 7.801 13.575 674 HA ILE 86 HA ILE 86 -1.038 8.563 15.924 675 HB ILE 86 HB ILE 86 -3.417 6.720 15.660 676 HG12 ILE 86 1HG1 ILE 86 -3.672 9.630 16.243 677 HG13 ILE 86 2HG1 ILE 86 -3.279 9.165 14.591 678 HG21 ILE 86 1HG2 ILE 86 -3.381 6.610 17.876 679 HG22 ILE 86 2HG2 ILE 86 -2.010 7.715 17.953 680 HG23 ILE 86 3HG2 ILE 86 -3.653 8.352 17.925 681 HD11 ILE 86 1HD1 ILE 86 -5.653 9.427 14.813 682 HD12 ILE 86 2HD1 ILE 86 -5.279 7.720 14.567 683 HD13 ILE 86 3HD1 ILE 86 -5.686 8.310 16.178 684 H GLY 87 H GLY 87 -0.045 7.555 17.622 685 HA2 GLY 87 1HA GLY 87 0.132 5.206 18.679 686 HA3 GLY 87 2HA GLY 87 0.819 4.786 17.116 687 H SER 88 H SER 88 1.355 6.318 20.165 688 HA SER 88 HA SER 88 3.851 7.536 19.510 689 HB2 SER 88 1HB SER 88 2.461 8.290 21.413 690 HB3 SER 88 2HB SER 88 2.760 6.752 22.224 691 HG SER 88 HG SER 88 4.160 8.643 22.759 692 H SER 89 H SER 89 5.232 6.067 18.588 693 HA SER 89 HA SER 89 6.549 4.254 20.414 694 HB2 SER 89 1HB SER 89 4.547 3.247 18.688 695 HB3 SER 89 2HB SER 89 6.096 2.741 18.013 696 HG SER 89 HG SER 89 5.515 1.207 19.493 697 H HIS 90 H HIS 90 8.325 5.618 20.080 698 HA HIS 90 HA HIS 90 9.398 5.834 17.374 699 HB2 HIS 90 1HB HIS 90 9.439 7.509 19.648 700 HB3 HIS 90 2HB HIS 90 11.102 7.000 19.376 701 HD1 HIS 90 1HD HIS 90 8.242 8.639 17.500 702 HD2 HIS 90 2HD HIS 90 12.386 8.356 17.392 703 HE1 HIS 90 1HE HIS 90 8.980 10.255 15.720 704 H LEU 91 H LEU 91 11.874 5.618 17.247 705 HA LEU 91 HA LEU 91 13.265 3.895 18.975 706 HB2 LEU 91 1HB LEU 91 11.413 2.469 17.660 707 HB3 LEU 91 2HB LEU 91 12.721 2.402 16.480 708 HG LEU 91 HG LEU 91 14.180 1.508 18.346 709 HD11 LEU 91 1HD1 LEU 91 11.558 1.669 19.729 710 HD12 LEU 91 2HD1 LEU 91 13.188 1.914 20.356 711 HD13 LEU 91 3HD1 LEU 91 12.592 0.280 20.063 712 HD21 LEU 91 1HD2 LEU 91 11.814 -0.229 17.681 713 HD22 LEU 91 2HD2 LEU 91 13.478 -0.727 17.991 714 HD23 LEU 91 3HD2 LEU 91 13.082 0.162 16.519 715 H ALA 92 H ALA 92 15.405 3.895 18.497 716 HA ALA 92 HA ALA 92 16.196 4.966 15.867 717 HB1 ALA 92 1HB ALA 92 18.108 6.059 17.042 718 HB2 ALA 92 2HB ALA 92 16.524 6.709 17.467 719 HB3 ALA 92 3HB ALA 92 17.353 5.612 18.572 720 HA PRO 93 HA PRO 93 18.217 0.855 16.410 721 HB2 PRO 93 1HB PRO 93 17.961 0.145 13.802 722 HB3 PRO 93 2HB PRO 93 16.683 -0.109 14.996 723 HG2 PRO 93 1HG PRO 93 16.977 2.079 12.974 724 HG3 PRO 93 2HG PRO 93 15.527 1.165 13.431 725 HD2 PRO 93 1HD PRO 93 16.034 3.656 14.363 726 HD3 PRO 93 2HD PRO 93 15.169 2.437 15.320 727 HA PRO 94 HA PRO 94 22.199 1.996 14.931 728 HB2 PRO 94 1HB PRO 94 23.262 -0.416 14.282 729 HB3 PRO 94 2HB PRO 94 23.003 0.101 15.953 730 HG2 PRO 94 1HG PRO 94 21.324 -1.693 14.242 731 HG3 PRO 94 2HG PRO 94 21.780 -1.877 15.946 732 HD2 PRO 94 1HD PRO 94 19.355 -0.946 15.180 733 HD3 PRO 94 2HD PRO 94 20.157 -0.409 16.670 734 H ASN 95 H ASN 95 23.641 1.973 13.059 735 HA ASN 95 HA ASN 95 22.137 1.624 10.556 736 HB2 ASN 95 1HB ASN 95 24.553 3.374 11.063 737 HB3 ASN 95 2HB ASN 95 23.588 3.321 9.591 738 HD21 ASN 95 2HD2 ASN 95 21.158 3.661 10.066 739 HD22 ASN 95 1HD2 ASN 95 20.797 5.004 11.092 740 HA PRO 96 HA PRO 96 25.301 -1.701 10.355 741 HB2 PRO 96 1HB PRO 96 23.720 -3.405 8.951 742 HB3 PRO 96 2HB PRO 96 23.666 -3.274 10.713 743 HG2 PRO 96 1HG PRO 96 21.857 -2.051 8.666 744 HG3 PRO 96 2HG PRO 96 21.441 -2.829 10.204 745 HD2 PRO 96 1HD PRO 96 21.538 -0.139 9.913 746 HD3 PRO 96 2HD PRO 96 21.950 -0.950 11.437 747 H ASP 97 H ASP 97 26.590 -2.314 8.631 748 HA ASP 97 HA ASP 97 26.095 -0.865 6.125 749 HB2 ASP 97 1HB ASP 97 28.360 -1.009 7.727 750 HB3 ASP 97 2HB ASP 97 28.726 -2.088 6.383 751 H LYS 98 H LYS 98 27.603 -3.935 7.145 752 HA LYS 98 HA LYS 98 27.462 -6.043 6.292 753 HB2 LYS 98 1HB LYS 98 24.959 -5.319 6.148 754 HB3 LYS 98 2HB LYS 98 25.275 -5.196 4.422 755 HG2 LYS 98 1HG LYS 98 26.243 -7.695 5.511 756 HG3 LYS 98 2HG LYS 98 24.519 -7.464 5.814 757 HD2 LYS 98 1HD LYS 98 23.992 -7.440 3.574 758 HD3 LYS 98 2HD LYS 98 25.599 -6.891 3.093 759 HE2 LYS 98 1HE LYS 98 26.245 -8.983 2.725 760 HE3 LYS 98 2HE LYS 98 25.807 -9.443 4.370 761 HZ1 LYS 98 1HZ LYS 98 23.600 -9.927 3.678 762 HZ2 LYS 98 2HZ LYS 98 24.643 -10.714 2.604 763 HZ3 LYS 98 3HZ LYS 98 23.865 -9.289 2.133 764 H SER 99 H SER 99 28.070 -7.265 4.409 765 HA SER 99 HA SER 99 28.458 -6.174 1.858 766 HB2 SER 99 1HB SER 99 30.232 -5.015 3.556 767 HB3 SER 99 2HB SER 99 31.162 -6.417 3.028 768 HG SER 99 HG SER 99 31.070 -5.715 0.961 769 H GLY 100 H GLY 100 29.950 -7.550 0.507 770 HA2 GLY 100 1HA GLY 100 30.989 -9.993 1.385 771 HA3 GLY 100 2HA GLY 100 29.326 -10.274 0.893 772 HA PRO 101 HA PRO 101 32.461 -9.913 -2.754 773 HB2 PRO 101 1HB PRO 101 33.373 -12.463 -2.943 774 HB3 PRO 101 2HB PRO 101 34.200 -11.213 -2.006 775 HG2 PRO 101 1HG PRO 101 32.353 -13.374 -1.067 776 HG3 PRO 101 2HG PRO 101 33.875 -12.813 -0.350 777 HD2 PRO 101 1HD PRO 101 31.453 -12.053 0.593 778 HD3 PRO 101 2HD PRO 101 32.878 -10.995 0.655 779 H SER 102 H SER 102 32.368 -11.366 -4.788 780 HA SER 102 HA SER 102 30.129 -13.115 -5.075 781 HB2 SER 102 1HB SER 102 28.698 -11.776 -6.427 782 HB3 SER 102 2HB SER 102 29.076 -10.800 -5.009 783 HG SER 102 HG SER 102 30.334 -9.513 -6.203 784 H SER 103 H SER 103 29.735 -13.538 -7.516 785 HA SER 103 HA SER 103 30.536 -14.189 -9.549 786 HB2 SER 103 1HB SER 103 31.985 -11.772 -8.979 787 HB3 SER 103 2HB SER 103 33.051 -12.919 -9.791 788 HG SER 103 HG SER 103 32.054 -12.380 -11.547 789 H GLY 104 H GLY 104 32.138 -15.603 -10.491 790 HA2 GLY 104 1HA GLY 104 34.326 -16.717 -10.155 791 HA3 GLY 104 2HA GLY 104 33.897 -16.827 -8.455 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -11.561 13.739 -7.954 2 HA2 GLY 1 1HA GLY 1 -10.333 14.819 -6.340 3 HA3 GLY 1 2HA GLY 1 -10.200 13.230 -5.602 4 H SER 2 H SER 2 -8.113 13.442 -4.878 5 HA SER 2 HA SER 2 -6.061 13.299 -6.956 6 HB2 SER 2 1HB SER 2 -4.600 14.838 -5.611 7 HB3 SER 2 2HB SER 2 -5.997 15.626 -6.345 8 HG SER 2 HG SER 2 -6.287 14.603 -3.766 9 H SER 3 H SER 3 -5.926 11.088 -6.444 10 HA SER 3 HA SER 3 -5.461 9.225 -5.154 11 HB2 SER 3 1HB SER 3 -3.289 9.915 -6.031 12 HB3 SER 3 2HB SER 3 -3.063 11.011 -4.667 13 HG SER 3 HG SER 3 -2.223 8.615 -4.738 14 H GLY 4 H GLY 4 -7.019 9.206 -3.533 15 HA2 GLY 4 1HA GLY 4 -6.674 10.746 -1.121 16 HA3 GLY 4 2HA GLY 4 -7.922 9.548 -1.426 17 H SER 5 H SER 5 -7.843 8.039 0.093 18 HA SER 5 HA SER 5 -5.263 7.272 1.233 19 HB2 SER 5 1HB SER 5 -8.035 6.429 2.106 20 HB3 SER 5 2HB SER 5 -6.532 6.219 3.004 21 HG SER 5 HG SER 5 -8.154 8.406 2.802 22 H SER 6 H SER 6 -4.294 5.874 -0.149 23 HA SER 6 HA SER 6 -5.750 3.382 -0.733 24 HB2 SER 6 1HB SER 6 -4.466 3.263 -2.880 25 HB3 SER 6 2HB SER 6 -5.604 4.608 -2.810 26 HG SER 6 HG SER 6 -2.793 4.653 -2.594 27 H GLY 7 H GLY 7 -2.741 4.962 0.079 28 HA2 GLY 7 1HA GLY 7 -0.930 2.877 -0.125 29 HA3 GLY 7 2HA GLY 7 -0.835 4.157 1.076 30 H LEU 8 H LEU 8 0.012 1.511 1.526 31 HA LEU 8 HA LEU 8 -1.672 0.867 3.810 32 HB2 LEU 8 1HB LEU 8 -1.315 -0.854 1.428 33 HB3 LEU 8 2HB LEU 8 -1.236 -1.644 3.002 34 HG LEU 8 HG LEU 8 -3.562 0.030 2.064 35 HD11 LEU 8 1HD1 LEU 8 -3.957 -1.706 0.698 36 HD12 LEU 8 2HD1 LEU 8 -4.479 -2.518 2.174 37 HD13 LEU 8 3HD1 LEU 8 -2.846 -2.771 1.559 38 HD21 LEU 8 1HD2 LEU 8 -4.084 -1.952 4.089 39 HD22 LEU 8 2HD2 LEU 8 -4.391 -0.216 4.111 40 HD23 LEU 8 3HD2 LEU 8 -2.818 -0.840 4.609 41 H ILE 9 H ILE 9 -0.567 -0.044 5.503 42 HA ILE 9 HA ILE 9 2.345 -0.270 5.142 43 HB ILE 9 HB ILE 9 0.806 0.241 7.691 44 HG12 ILE 9 1HG1 ILE 9 0.728 2.136 6.102 45 HG13 ILE 9 2HG1 ILE 9 1.656 2.519 7.547 46 HG21 ILE 9 1HG2 ILE 9 3.680 -0.207 7.073 47 HG22 ILE 9 2HG2 ILE 9 3.262 0.952 8.334 48 HG23 ILE 9 3HG2 ILE 9 2.729 -0.724 8.466 49 HD11 ILE 9 1HD1 ILE 9 2.795 3.396 5.644 50 HD12 ILE 9 2HD1 ILE 9 3.726 2.035 6.269 51 HD13 ILE 9 3HD1 ILE 9 2.733 1.835 4.825 52 H ALA 10 H ALA 10 2.634 -2.397 4.647 53 HA ALA 10 HA ALA 10 1.340 -4.448 6.262 54 HB1 ALA 10 1HB ALA 10 1.843 -4.401 3.639 55 HB2 ALA 10 2HB ALA 10 3.317 -5.197 4.193 56 HB3 ALA 10 3HB ALA 10 1.743 -5.898 4.568 57 H CYS 11 H CYS 11 2.310 -5.572 7.838 58 HA CYS 11 HA CYS 11 5.160 -5.039 8.331 59 HB2 CYS 11 1HB CYS 11 3.372 -4.383 10.057 60 HB3 CYS 11 2HB CYS 11 3.215 -6.108 10.367 61 HG CYS 11 HG CYS 11 6.167 -6.153 10.809 62 H VAL 12 H VAL 12 6.458 -6.637 7.739 63 HA VAL 12 HA VAL 12 5.461 -9.403 7.881 64 HB VAL 12 HB VAL 12 7.967 -8.790 6.410 65 HG11 VAL 12 1HG1 VAL 12 6.877 -10.444 4.828 66 HG12 VAL 12 2HG1 VAL 12 7.300 -11.054 6.429 67 HG13 VAL 12 3HG1 VAL 12 5.626 -10.643 6.052 68 HG21 VAL 12 1HG2 VAL 12 6.622 -6.951 5.662 69 HG22 VAL 12 2HG2 VAL 12 6.652 -8.168 4.386 70 HG23 VAL 12 3HG2 VAL 12 5.230 -8.006 5.418 71 H ALA 13 H ALA 13 6.673 -11.000 8.870 72 HA ALA 13 HA ALA 13 8.677 -10.022 10.767 73 HB1 ALA 13 1HB ALA 13 7.152 -12.622 10.672 74 HB2 ALA 13 2HB ALA 13 8.331 -12.186 11.908 75 HB3 ALA 13 3HB ALA 13 6.844 -11.253 11.741 76 H ASN 14 H ASN 14 8.343 -11.978 7.940 77 HA ASN 14 HA ASN 14 10.766 -13.467 8.272 78 HB2 ASN 14 1HB ASN 14 8.641 -13.239 6.264 79 HB3 ASN 14 2HB ASN 14 10.238 -13.513 5.572 80 HD21 ASN 14 2HD2 ASN 14 8.050 -15.312 5.496 81 HD22 ASN 14 1HD2 ASN 14 8.515 -16.737 6.355 82 H ASP 15 H ASP 15 12.621 -12.357 8.406 83 HA ASP 15 HA ASP 15 13.148 -9.878 7.204 84 HB2 ASP 15 1HB ASP 15 15.386 -10.142 7.944 85 HB3 ASP 15 2HB ASP 15 14.389 -10.963 9.141 86 H ASP 16 H ASP 16 13.037 -12.996 5.870 87 HA ASP 16 HA ASP 16 14.948 -12.646 3.780 88 HB2 ASP 16 1HB ASP 16 12.790 -14.623 4.387 89 HB3 ASP 16 2HB ASP 16 13.460 -14.576 2.758 90 H VAL 17 H VAL 17 11.685 -11.659 4.264 91 HA VAL 17 HA VAL 17 10.857 -11.411 1.576 92 HB VAL 17 HB VAL 17 9.974 -9.945 4.061 93 HG11 VAL 17 1HG1 VAL 17 9.564 -8.564 2.074 94 HG12 VAL 17 2HG1 VAL 17 8.697 -9.907 1.328 95 HG13 VAL 17 3HG1 VAL 17 8.063 -9.149 2.788 96 HG21 VAL 17 1HG2 VAL 17 7.887 -11.467 3.215 97 HG22 VAL 17 2HG2 VAL 17 9.260 -12.472 2.749 98 HG23 VAL 17 3HG2 VAL 17 9.065 -11.968 4.429 99 H PHE 18 H PHE 18 12.975 -9.531 3.540 100 HA PHE 18 HA PHE 18 12.804 -7.190 1.824 101 HB2 PHE 18 1HB PHE 18 14.636 -7.734 4.170 102 HB3 PHE 18 2HB PHE 18 14.409 -6.183 3.366 103 HD1 PHE 18 2HD PHE 18 12.596 -8.792 5.288 104 HD2 PHE 18 1HD PHE 18 12.769 -4.710 4.094 105 HE1 PHE 18 2HE PHE 18 10.757 -8.266 6.835 106 HE2 PHE 18 1HE PHE 18 10.930 -4.178 5.640 107 HZ PHE 18 HZ PHE 18 9.921 -5.956 7.012 108 H SER 19 H SER 19 13.561 -9.363 0.359 109 HA SER 19 HA SER 19 16.223 -8.569 -0.493 110 HB2 SER 19 1HB SER 19 16.151 -10.654 1.200 111 HB3 SER 19 2HB SER 19 15.848 -11.511 -0.311 112 HG SER 19 HG SER 19 18.093 -9.983 0.445 113 H GLU 20 H GLU 20 16.561 -8.825 -2.661 114 HA GLU 20 HA GLU 20 14.246 -9.285 -4.284 115 HB2 GLU 20 1HB GLU 20 15.707 -8.749 -6.167 116 HB3 GLU 20 2HB GLU 20 15.902 -7.576 -4.874 117 HG2 GLU 20 1HG GLU 20 18.046 -8.125 -4.517 118 HG3 GLU 20 2HG GLU 20 17.759 -9.845 -4.776 119 H SER 21 H SER 21 16.482 -11.331 -2.902 120 HA SER 21 HA SER 21 17.321 -13.199 -4.623 121 HB2 SER 21 1HB SER 21 16.775 -14.942 -2.887 122 HB3 SER 21 2HB SER 21 17.631 -13.532 -2.263 123 HG SER 21 HG SER 21 15.930 -13.973 -0.893 124 H GLU 22 H GLU 22 13.986 -13.101 -3.374 125 HA GLU 22 HA GLU 22 12.664 -13.639 -5.711 126 HB2 GLU 22 1HB GLU 22 14.112 -15.933 -4.881 127 HB3 GLU 22 2HB GLU 22 12.409 -16.268 -4.610 128 HG2 GLU 22 1HG GLU 22 11.980 -16.455 -6.787 129 HG3 GLU 22 2HG GLU 22 12.936 -15.029 -7.192 130 H THR 23 H THR 23 12.832 -14.491 -2.294 131 HA THR 23 HA THR 23 10.254 -15.080 -1.660 132 HB THR 23 HB THR 23 11.875 -13.157 0.006 133 HG1 THR 23 1HG THR 23 13.304 -14.698 0.181 134 HG21 THR 23 1HG2 THR 23 10.618 -13.851 1.802 135 HG22 THR 23 2HG2 THR 23 10.247 -15.415 1.075 136 HG23 THR 23 3HG2 THR 23 9.419 -13.963 0.515 137 H ARG 24 H ARG 24 11.591 -11.774 -1.786 138 HA ARG 24 HA ARG 24 9.442 -10.263 -1.158 139 HB2 ARG 24 1HB ARG 24 11.458 -9.149 -1.706 140 HB3 ARG 24 2HB ARG 24 11.497 -9.846 -3.319 141 HG2 ARG 24 1HG ARG 24 9.746 -8.450 -4.071 142 HG3 ARG 24 2HG ARG 24 9.351 -7.943 -2.427 143 HD2 ARG 24 1HD ARG 24 11.263 -6.610 -2.254 144 HD3 ARG 24 2HD ARG 24 12.053 -7.410 -3.612 145 HE ARG 24 HE ARG 24 10.157 -5.241 -3.732 146 HH11 ARG 24 2HH1 ARG 24 11.659 -7.864 -5.461 147 HH12 ARG 24 1HH1 ARG 24 11.360 -7.177 -7.023 148 HH21 ARG 24 2HH2 ARG 24 9.759 -4.327 -5.784 149 HH22 ARG 24 1HH2 ARG 24 10.281 -5.165 -7.205 150 H ALA 25 H ALA 25 10.108 -11.455 -4.453 151 HA ALA 25 HA ALA 25 7.956 -10.501 -5.813 152 HB1 ALA 25 1HB ALA 25 9.901 -12.155 -6.491 153 HB2 ALA 25 2HB ALA 25 8.629 -13.359 -6.274 154 HB3 ALA 25 3HB ALA 25 8.412 -12.044 -7.431 155 H LYS 26 H LYS 26 8.009 -13.335 -3.693 156 HA LYS 26 HA LYS 26 5.386 -14.214 -4.194 157 HB2 LYS 26 1HB LYS 26 7.077 -14.512 -1.706 158 HB3 LYS 26 2HB LYS 26 5.597 -15.404 -2.026 159 HG2 LYS 26 1HG LYS 26 6.569 -16.672 -3.703 160 HG3 LYS 26 2HG LYS 26 7.874 -15.512 -3.960 161 HD2 LYS 26 1HD LYS 26 8.530 -16.112 -1.515 162 HD3 LYS 26 2HD LYS 26 7.547 -17.551 -1.793 163 HE2 LYS 26 1HE LYS 26 8.968 -17.734 -3.981 164 HE3 LYS 26 2HE LYS 26 10.097 -16.706 -3.100 165 HZ1 LYS 26 1HZ LYS 26 10.859 -18.605 -2.254 166 HZ2 LYS 26 2HZ LYS 26 9.507 -19.493 -2.748 167 HZ3 LYS 26 3HZ LYS 26 9.465 -18.626 -1.296 168 H PHE 27 H PHE 27 6.685 -11.820 -1.971 169 HA PHE 27 HA PHE 27 4.208 -11.427 -0.579 170 HB2 PHE 27 1HB PHE 27 6.082 -10.876 0.708 171 HB3 PHE 27 2HB PHE 27 6.858 -10.015 -0.616 172 HD1 PHE 27 1HD PHE 27 5.578 -7.883 -1.453 173 HD2 PHE 27 2HD PHE 27 5.071 -9.665 2.378 174 HE1 PHE 27 1HE PHE 27 4.707 -5.754 -0.582 175 HE2 PHE 27 2HE PHE 27 4.197 -7.539 3.256 176 HZ PHE 27 HZ PHE 27 4.013 -5.580 1.774 177 H GLU 28 H GLU 28 5.930 -9.791 -3.193 178 HA GLU 28 HA GLU 28 4.129 -7.603 -3.396 179 HB2 GLU 28 1HB GLU 28 6.463 -8.604 -4.842 180 HB3 GLU 28 2HB GLU 28 5.267 -7.867 -5.900 181 HG2 GLU 28 1HG GLU 28 5.299 -5.908 -4.251 182 HG3 GLU 28 2HG GLU 28 6.787 -6.628 -3.638 183 H SER 29 H SER 29 4.610 -10.404 -5.557 184 HA SER 29 HA SER 29 2.669 -10.148 -7.367 185 HB2 SER 29 1HB SER 29 4.132 -12.160 -7.092 186 HB3 SER 29 2HB SER 29 3.048 -12.722 -5.820 187 HG SER 29 HG SER 29 2.234 -12.155 -8.477 188 H LEU 30 H LEU 30 2.137 -10.838 -3.975 189 HA LEU 30 HA LEU 30 -0.551 -11.585 -4.057 190 HB2 LEU 30 1HB LEU 30 1.052 -10.144 -1.959 191 HB3 LEU 30 2HB LEU 30 -0.616 -10.654 -1.707 192 HG LEU 30 HG LEU 30 1.624 -12.557 -2.375 193 HD11 LEU 30 1HD1 LEU 30 1.988 -12.968 -0.131 194 HD12 LEU 30 2HD1 LEU 30 0.458 -12.242 0.359 195 HD13 LEU 30 3HD1 LEU 30 1.794 -11.215 -0.162 196 HD21 LEU 30 1HD2 LEU 30 -1.211 -12.803 -2.231 197 HD22 LEU 30 2HD2 LEU 30 -0.494 -13.727 -0.910 198 HD23 LEU 30 3HD2 LEU 30 -0.007 -14.045 -2.576 199 H PHE 31 H PHE 31 0.878 -8.355 -3.608 200 HA PHE 31 HA PHE 31 -1.712 -7.086 -3.758 201 HB2 PHE 31 1HB PHE 31 0.980 -5.723 -3.828 202 HB3 PHE 31 2HB PHE 31 -0.564 -5.038 -3.334 203 HD1 PHE 31 2HD PHE 31 2.103 -7.398 -2.385 204 HD2 PHE 31 1HD PHE 31 -1.366 -5.279 -1.123 205 HE1 PHE 31 2HE PHE 31 2.589 -7.999 -0.049 206 HE2 PHE 31 1HE PHE 31 -0.886 -5.877 1.215 207 HZ PHE 31 HZ PHE 31 1.094 -7.240 1.754 208 H ARG 32 H ARG 32 1.177 -7.336 -5.789 209 HA ARG 32 HA ARG 32 0.542 -5.609 -7.827 210 HB2 ARG 32 1HB ARG 32 2.473 -7.531 -7.409 211 HB3 ARG 32 2HB ARG 32 1.610 -8.150 -8.811 212 HG2 ARG 32 1HG ARG 32 2.317 -5.291 -8.891 213 HG3 ARG 32 2HG ARG 32 3.662 -6.432 -8.962 214 HD2 ARG 32 1HD ARG 32 2.285 -7.623 -10.776 215 HD3 ARG 32 2HD ARG 32 1.344 -6.133 -10.843 216 HE ARG 32 HE ARG 32 3.859 -5.230 -11.111 217 HH11 ARG 32 2HH1 ARG 32 2.108 -7.785 -12.702 218 HH12 ARG 32 1HH1 ARG 32 2.979 -7.631 -14.192 219 HH21 ARG 32 2HH2 ARG 32 5.012 -5.018 -13.068 220 HH22 ARG 32 1HH2 ARG 32 4.631 -6.058 -14.399 221 H THR 33 H THR 33 -0.414 -9.026 -7.554 222 HA THR 33 HA THR 33 -1.728 -9.508 -9.851 223 HB THR 33 HB THR 33 -2.791 -10.167 -7.097 224 HG1 THR 33 1HG THR 33 -0.886 -11.332 -8.814 225 HG21 THR 33 1HG2 THR 33 -4.167 -10.415 -9.440 226 HG22 THR 33 2HG2 THR 33 -4.405 -11.435 -8.021 227 HG23 THR 33 3HG2 THR 33 -3.360 -11.979 -9.334 228 H TYR 34 H TYR 34 -3.079 -7.674 -7.125 229 HA TYR 34 HA TYR 34 -5.587 -7.175 -8.330 230 HB2 TYR 34 1HB TYR 34 -4.306 -5.359 -6.300 231 HB3 TYR 34 2HB TYR 34 -6.013 -5.727 -6.520 232 HD1 TYR 34 1HD TYR 34 -6.038 -8.648 -6.603 233 HD2 TYR 34 2HD TYR 34 -3.778 -6.018 -4.137 234 HE1 TYR 34 1HE TYR 34 -5.887 -10.400 -4.883 235 HE2 TYR 34 2HE TYR 34 -3.619 -7.763 -2.411 236 HH TYR 34 HH TYR 34 -4.451 -11.006 -2.994 237 H ASP 35 H ASP 35 -3.082 -4.746 -7.617 238 HA ASP 35 HA ASP 35 -3.898 -3.321 -10.058 239 HB2 ASP 35 1HB ASP 35 -3.343 -2.451 -7.370 240 HB3 ASP 35 2HB ASP 35 -2.246 -1.654 -8.494 241 H LYS 36 H LYS 36 -2.380 -2.621 -11.538 242 HA LYS 36 HA LYS 36 0.149 -4.065 -11.478 243 HB2 LYS 36 1HB LYS 36 -1.179 -2.441 -13.653 244 HB3 LYS 36 2HB LYS 36 0.354 -3.282 -13.835 245 HG2 LYS 36 1HG LYS 36 -1.084 -5.346 -13.040 246 HG3 LYS 36 2HG LYS 36 -2.404 -4.368 -13.685 247 HD2 LYS 36 1HD LYS 36 -1.542 -4.407 -15.846 248 HD3 LYS 36 2HD LYS 36 0.082 -4.824 -15.294 249 HE2 LYS 36 1HE LYS 36 -2.163 -6.726 -14.799 250 HE3 LYS 36 2HE LYS 36 -1.462 -6.627 -16.414 251 HZ1 LYS 36 1HZ LYS 36 0.663 -6.754 -14.650 252 HZ2 LYS 36 2HZ LYS 36 0.133 -7.967 -15.703 253 HZ3 LYS 36 3HZ LYS 36 -0.443 -7.916 -14.112 254 H ASP 37 H ASP 37 -1.091 -0.808 -11.303 255 HA ASP 37 HA ASP 37 1.579 0.347 -11.472 256 HB2 ASP 37 1HB ASP 37 -1.159 1.324 -11.760 257 HB3 ASP 37 2HB ASP 37 -0.153 2.395 -10.789 258 H THR 38 H THR 38 0.743 -1.420 -9.238 259 HA THR 38 HA THR 38 0.514 0.295 -6.930 260 HB THR 38 HB THR 38 1.180 -2.145 -5.902 261 HG1 THR 38 1HG THR 38 -0.265 -3.512 -7.376 262 HG21 THR 38 1HG2 THR 38 -1.344 -2.519 -5.837 263 HG22 THR 38 2HG2 THR 38 -1.477 -1.016 -6.749 264 HG23 THR 38 3HG2 THR 38 -0.744 -1.012 -5.145 265 H THR 39 H THR 39 2.156 1.268 -5.961 266 HA THR 39 HA THR 39 4.886 0.378 -6.526 267 HB THR 39 HB THR 39 5.605 2.524 -5.585 268 HG1 THR 39 1HG THR 39 2.893 2.655 -4.874 269 HG21 THR 39 1HG2 THR 39 4.439 2.142 -7.995 270 HG22 THR 39 2HG2 THR 39 5.170 3.665 -7.489 271 HG23 THR 39 3HG2 THR 39 3.427 3.434 -7.351 272 H PHE 40 H PHE 40 6.278 -0.348 -4.992 273 HA PHE 40 HA PHE 40 5.194 -0.670 -2.272 274 HB2 PHE 40 1HB PHE 40 7.208 -2.439 -3.675 275 HB3 PHE 40 2HB PHE 40 6.511 -2.710 -2.080 276 HD1 PHE 40 2HD PHE 40 5.685 -2.498 -5.684 277 HD2 PHE 40 1HD PHE 40 4.487 -3.854 -1.831 278 HE1 PHE 40 2HE PHE 40 3.854 -3.782 -6.708 279 HE2 PHE 40 1HE PHE 40 2.654 -5.141 -2.850 280 HZ PHE 40 HZ PHE 40 2.335 -5.106 -5.292 281 H GLN 41 H GLN 41 6.491 -0.220 -0.521 282 HA GLN 41 HA GLN 41 9.195 0.786 -1.050 283 HB2 GLN 41 1HB GLN 41 7.598 2.702 -0.974 284 HB3 GLN 41 2HB GLN 41 7.176 2.236 0.669 285 HG2 GLN 41 1HG GLN 41 9.238 2.864 1.515 286 HG3 GLN 41 2HG GLN 41 10.018 2.791 -0.063 287 HE21 GLN 41 2HE2 GLN 41 9.019 4.838 2.248 288 HE22 GLN 41 1HE2 GLN 41 8.740 6.258 1.304 289 H TYR 42 H TYR 42 10.396 -0.638 0.043 290 HA TYR 42 HA TYR 42 9.489 -1.671 2.607 291 HB2 TYR 42 1HB TYR 42 11.885 -2.318 0.885 292 HB3 TYR 42 2HB TYR 42 11.583 -3.063 2.451 293 HD1 TYR 42 1HD TYR 42 10.352 -2.755 -1.012 294 HD2 TYR 42 2HD TYR 42 9.950 -4.789 2.704 295 HE1 TYR 42 1HE TYR 42 8.941 -4.450 -2.099 296 HE2 TYR 42 2HE TYR 42 8.538 -6.490 1.627 297 HH TYR 42 HH TYR 42 7.551 -6.189 -1.750 298 H PHE 43 H PHE 43 10.583 -1.411 4.551 299 HA PHE 43 HA PHE 43 12.536 0.795 4.600 300 HB2 PHE 43 1HB PHE 43 10.479 0.045 6.687 301 HB3 PHE 43 2HB PHE 43 11.685 1.315 6.869 302 HD1 PHE 43 2HD PHE 43 8.578 0.326 5.216 303 HD2 PHE 43 1HD PHE 43 11.477 3.408 5.688 304 HE1 PHE 43 2HE PHE 43 7.037 1.932 4.170 305 HE2 PHE 43 1HE PHE 43 9.940 5.019 4.643 306 HZ PHE 43 HZ PHE 43 7.717 4.282 3.880 307 H LYS 44 H LYS 44 14.454 -0.239 4.714 308 HA LYS 44 HA LYS 44 14.839 -2.608 6.291 309 HB2 LYS 44 1HB LYS 44 16.086 -1.799 4.127 310 HB3 LYS 44 2HB LYS 44 17.106 -0.937 5.272 311 HG2 LYS 44 1HG LYS 44 18.048 -2.836 6.079 312 HG3 LYS 44 2HG LYS 44 16.604 -3.810 5.791 313 HD2 LYS 44 1HD LYS 44 17.664 -4.630 4.007 314 HD3 LYS 44 2HD LYS 44 17.416 -3.053 3.253 315 HE2 LYS 44 1HE LYS 44 19.752 -3.427 5.062 316 HE3 LYS 44 2HE LYS 44 19.818 -4.124 3.444 317 HZ1 LYS 44 1HZ LYS 44 20.289 -1.483 4.185 318 HZ2 LYS 44 2HZ LYS 44 18.862 -1.484 3.278 319 HZ3 LYS 44 3HZ LYS 44 20.279 -2.136 2.624 320 H SER 45 H SER 45 13.823 -0.863 8.031 321 HA SER 45 HA SER 45 15.942 -0.587 9.959 322 HB2 SER 45 1HB SER 45 16.218 1.523 8.759 323 HB3 SER 45 2HB SER 45 14.505 1.885 8.962 324 HG SER 45 HG SER 45 14.813 2.194 11.106 325 H PHE 46 H PHE 46 12.583 0.054 9.087 326 HA PHE 46 HA PHE 46 11.817 -0.397 11.894 327 HB2 PHE 46 1HB PHE 46 10.244 0.961 9.695 328 HB3 PHE 46 2HB PHE 46 9.724 0.770 11.366 329 HD1 PHE 46 2HD PHE 46 11.031 1.923 13.178 330 HD2 PHE 46 1HD PHE 46 11.603 2.752 9.042 331 HE1 PHE 46 2HE PHE 46 12.119 4.053 13.758 332 HE2 PHE 46 1HE PHE 46 12.693 4.882 9.615 333 HZ PHE 46 HZ PHE 46 12.950 5.536 11.976 334 H LYS 47 H LYS 47 12.231 -2.151 9.279 335 HA LYS 47 HA LYS 47 11.320 -4.029 8.361 336 HB2 LYS 47 1HB LYS 47 10.189 -4.272 11.156 337 HB3 LYS 47 2HB LYS 47 10.260 -5.575 9.977 338 HG2 LYS 47 1HG LYS 47 12.659 -4.131 11.081 339 HG3 LYS 47 2HG LYS 47 12.054 -5.682 11.665 340 HD2 LYS 47 1HD LYS 47 12.422 -6.663 9.458 341 HD3 LYS 47 2HD LYS 47 13.006 -5.109 8.858 342 HE2 LYS 47 1HE LYS 47 14.347 -6.081 11.282 343 HE3 LYS 47 2HE LYS 47 14.587 -7.085 9.853 344 HZ1 LYS 47 1HZ LYS 47 16.072 -4.955 10.421 345 HZ2 LYS 47 2HZ LYS 47 14.892 -4.226 9.454 346 HZ3 LYS 47 3HZ LYS 47 15.811 -5.509 8.844 347 H ARG 48 H ARG 48 9.883 -1.800 7.673 348 HA ARG 48 HA ARG 48 7.112 -2.800 7.705 349 HB2 ARG 48 1HB ARG 48 8.196 -0.106 8.233 350 HB3 ARG 48 2HB ARG 48 6.795 -0.156 7.170 351 HG2 ARG 48 1HG ARG 48 5.504 -1.300 8.855 352 HG3 ARG 48 2HG ARG 48 6.916 -1.401 9.908 353 HD2 ARG 48 1HD ARG 48 6.104 1.285 8.947 354 HD3 ARG 48 2HD ARG 48 5.083 0.510 10.158 355 HE ARG 48 HE ARG 48 7.836 0.422 10.882 356 HH11 ARG 48 2HH1 ARG 48 5.037 2.488 10.793 357 HH12 ARG 48 1HH1 ARG 48 5.569 3.487 12.104 358 HH21 ARG 48 2HH2 ARG 48 8.548 1.729 12.612 359 HH22 ARG 48 1HH2 ARG 48 7.567 3.054 13.138 360 H VAL 49 H VAL 49 5.818 -1.966 5.811 361 HA VAL 49 HA VAL 49 7.379 -1.405 3.419 362 HB VAL 49 HB VAL 49 5.515 -3.777 3.472 363 HG11 VAL 49 1HG1 VAL 49 5.826 -3.940 1.259 364 HG12 VAL 49 2HG1 VAL 49 6.341 -2.256 1.359 365 HG13 VAL 49 3HG1 VAL 49 7.541 -3.549 1.375 366 HG21 VAL 49 1HG2 VAL 49 7.390 -4.369 4.826 367 HG22 VAL 49 2HG2 VAL 49 7.612 -5.129 3.251 368 HG23 VAL 49 3HG2 VAL 49 8.521 -3.677 3.664 369 H ARG 50 H ARG 50 6.379 0.355 2.687 370 HA ARG 50 HA ARG 50 3.496 0.641 2.982 371 HB2 ARG 50 1HB ARG 50 4.910 2.551 3.552 372 HB3 ARG 50 2HB ARG 50 5.582 2.557 1.927 373 HG2 ARG 50 1HG ARG 50 3.686 3.447 0.995 374 HG3 ARG 50 2HG ARG 50 2.637 2.824 2.270 375 HD2 ARG 50 1HD ARG 50 2.680 4.885 3.123 376 HD3 ARG 50 2HD ARG 50 4.336 4.529 3.615 377 HE ARG 50 HE ARG 50 4.360 5.446 0.966 378 HH11 ARG 50 2HH1 ARG 50 3.732 6.606 4.188 379 HH12 ARG 50 1HH1 ARG 50 4.207 8.235 3.834 380 HH21 ARG 50 2HH2 ARG 50 4.986 7.588 0.488 381 HH22 ARG 50 1HH2 ARG 50 4.919 8.792 1.729 382 H ILE 51 H ILE 51 2.145 0.027 1.440 383 HA ILE 51 HA ILE 51 3.150 -0.156 -1.323 384 HB ILE 51 HB ILE 51 0.781 -1.621 -0.163 385 HG12 ILE 51 1HG1 ILE 51 2.746 -3.488 -0.741 386 HG13 ILE 51 2HG1 ILE 51 3.645 -2.168 -0.001 387 HG21 ILE 51 1HG2 ILE 51 1.449 -1.119 -2.785 388 HG22 ILE 51 2HG2 ILE 51 2.104 -2.731 -2.503 389 HG23 ILE 51 3HG2 ILE 51 0.393 -2.411 -2.214 390 HD11 ILE 51 1HD1 ILE 51 3.017 -2.878 1.991 391 HD12 ILE 51 2HD1 ILE 51 1.328 -2.609 1.559 392 HD13 ILE 51 3HD1 ILE 51 2.080 -4.173 1.246 393 H ASN 52 H ASN 52 2.497 1.482 -2.544 394 HA ASN 52 HA ASN 52 -0.022 2.834 -1.939 395 HB2 ASN 52 1HB ASN 52 2.520 3.609 -3.132 396 HB3 ASN 52 2HB ASN 52 1.147 4.140 -4.099 397 HD21 ASN 52 2HD2 ASN 52 0.540 6.114 -3.638 398 HD22 ASN 52 1HD2 ASN 52 0.577 6.860 -2.080 399 H PHE 53 H PHE 53 -1.790 2.718 -3.192 400 HA PHE 53 HA PHE 53 -1.601 1.101 -5.644 401 HB2 PHE 53 1HB PHE 53 -4.014 1.588 -3.883 402 HB3 PHE 53 2HB PHE 53 -3.961 0.546 -5.302 403 HD1 PHE 53 2HD PHE 53 -2.357 1.011 -1.977 404 HD2 PHE 53 1HD PHE 53 -3.498 -1.702 -5.051 405 HE1 PHE 53 2HE PHE 53 -1.678 -0.880 -0.556 406 HE2 PHE 53 1HE PHE 53 -2.821 -3.597 -3.636 407 HZ PHE 53 HZ PHE 53 -1.908 -3.188 -1.385 408 H SER 54 H SER 54 -3.458 1.629 -7.223 409 HA SER 54 HA SER 54 -3.295 4.486 -7.773 410 HB2 SER 54 1HB SER 54 -2.748 3.116 -9.649 411 HB3 SER 54 2HB SER 54 -4.185 2.120 -9.427 412 HG SER 54 HG SER 54 -4.292 4.888 -10.017 413 H ASN 55 H ASN 55 -5.319 2.557 -6.081 414 HA ASN 55 HA ASN 55 -7.431 4.494 -6.101 415 HB2 ASN 55 1HB ASN 55 -9.220 2.857 -6.728 416 HB3 ASN 55 2HB ASN 55 -8.151 3.291 -8.058 417 HD21 ASN 55 2HD2 ASN 55 -7.752 1.622 -9.298 418 HD22 ASN 55 1HD2 ASN 55 -7.494 -0.005 -8.772 419 HA PRO 56 HA PRO 56 -7.774 2.994 -1.979 420 HB2 PRO 56 1HB PRO 56 -10.251 3.920 -1.370 421 HB3 PRO 56 2HB PRO 56 -8.838 4.973 -1.504 422 HG2 PRO 56 1HG PRO 56 -11.000 4.443 -3.506 423 HG3 PRO 56 2HG PRO 56 -10.243 5.983 -3.057 424 HD2 PRO 56 1HD PRO 56 -9.556 4.619 -5.293 425 HD3 PRO 56 2HD PRO 56 -8.395 5.605 -4.381 426 H LEU 57 H LEU 57 -9.481 1.743 -4.542 427 HA LEU 57 HA LEU 57 -11.343 0.107 -3.079 428 HB2 LEU 57 1HB LEU 57 -10.457 0.202 -5.946 429 HB3 LEU 57 2HB LEU 57 -11.543 -1.049 -5.347 430 HG LEU 57 HG LEU 57 -12.313 1.771 -4.841 431 HD11 LEU 57 1HD1 LEU 57 -12.728 0.515 -7.543 432 HD12 LEU 57 2HD1 LEU 57 -11.454 1.687 -7.204 433 HD13 LEU 57 3HD1 LEU 57 -13.147 2.149 -7.026 434 HD21 LEU 57 1HD2 LEU 57 -13.694 -0.818 -5.485 435 HD22 LEU 57 2HD2 LEU 57 -14.540 0.729 -5.520 436 HD23 LEU 57 3HD2 LEU 57 -13.807 0.158 -4.020 437 H SER 58 H SER 58 -8.481 -0.636 -5.078 438 HA SER 58 HA SER 58 -8.287 -3.333 -4.417 439 HB2 SER 58 1HB SER 58 -6.835 -1.551 -5.978 440 HB3 SER 58 2HB SER 58 -5.677 -2.079 -4.758 441 HG SER 58 HG SER 58 -5.920 -3.397 -6.755 442 H ALA 59 H ALA 59 -6.867 -0.504 -2.832 443 HA ALA 59 HA ALA 59 -5.190 -1.646 -1.005 444 HB1 ALA 59 1HB ALA 59 -7.068 0.674 -0.584 445 HB2 ALA 59 2HB ALA 59 -5.733 0.257 0.492 446 HB3 ALA 59 3HB ALA 59 -5.406 0.741 -1.173 447 H ALA 60 H ALA 60 -8.700 -1.573 -0.931 448 HA ALA 60 HA ALA 60 -8.948 -2.567 1.735 449 HB1 ALA 60 1HB ALA 60 -11.295 -3.207 0.376 450 HB2 ALA 60 2HB ALA 60 -10.990 -1.776 1.361 451 HB3 ALA 60 3HB ALA 60 -10.716 -1.722 -0.379 452 H ASP 61 H ASP 61 -9.793 -4.111 -1.372 453 HA ASP 61 HA ASP 61 -10.168 -6.678 -0.473 454 HB2 ASP 61 1HB ASP 61 -9.766 -5.404 -3.007 455 HB3 ASP 61 2HB ASP 61 -8.834 -6.898 -2.968 456 H ALA 62 H ALA 62 -7.128 -5.073 -1.255 457 HA ALA 62 HA ALA 62 -5.391 -7.227 -1.222 458 HB1 ALA 62 1HB ALA 62 -5.133 -4.329 -0.674 459 HB2 ALA 62 2HB ALA 62 -3.813 -5.370 -0.139 460 HB3 ALA 62 3HB ALA 62 -4.284 -5.347 -1.838 461 H ARG 63 H ARG 63 -6.759 -5.418 1.481 462 HA ARG 63 HA ARG 63 -5.182 -6.627 3.502 463 HB2 ARG 63 1HB ARG 63 -6.364 -4.508 3.851 464 HB3 ARG 63 2HB ARG 63 -7.908 -5.333 3.690 465 HG2 ARG 63 1HG ARG 63 -7.115 -6.762 5.674 466 HG3 ARG 63 2HG ARG 63 -5.915 -5.492 5.916 467 HD2 ARG 63 1HD ARG 63 -7.560 -3.866 6.320 468 HD3 ARG 63 2HD ARG 63 -8.841 -4.876 5.650 469 HE ARG 63 HE ARG 63 -9.082 -5.845 7.702 470 HH11 ARG 63 2HH1 ARG 63 -5.969 -4.291 7.557 471 HH12 ARG 63 1HH1 ARG 63 -5.602 -4.578 9.226 472 HH21 ARG 63 2HH2 ARG 63 -8.610 -6.229 9.901 473 HH22 ARG 63 1HH2 ARG 63 -7.106 -5.681 10.557 474 H LEU 64 H LEU 64 -8.611 -7.148 2.652 475 HA LEU 64 HA LEU 64 -9.116 -9.310 4.285 476 HB2 LEU 64 1HB LEU 64 -11.076 -9.476 3.192 477 HB3 LEU 64 2HB LEU 64 -10.563 -7.939 2.499 478 HG LEU 64 HG LEU 64 -9.584 -9.364 0.591 479 HD11 LEU 64 1HD1 LEU 64 -10.461 -11.430 2.238 480 HD12 LEU 64 2HD1 LEU 64 -9.902 -11.561 0.571 481 HD13 LEU 64 3HD1 LEU 64 -11.622 -11.378 0.911 482 HD21 LEU 64 1HD2 LEU 64 -12.581 -9.283 0.899 483 HD22 LEU 64 2HD2 LEU 64 -11.659 -9.285 -0.604 484 HD23 LEU 64 3HD2 LEU 64 -11.588 -7.889 0.473 485 H ARG 65 H ARG 65 -7.728 -9.299 1.026 486 HA ARG 65 HA ARG 65 -7.550 -12.137 0.827 487 HB2 ARG 65 1HB ARG 65 -6.606 -9.807 -0.751 488 HB3 ARG 65 2HB ARG 65 -5.728 -11.315 -0.969 489 HG2 ARG 65 1HG ARG 65 -8.473 -11.946 -1.070 490 HG3 ARG 65 2HG ARG 65 -8.230 -10.514 -2.072 491 HD2 ARG 65 1HD ARG 65 -6.360 -11.700 -3.205 492 HD3 ARG 65 2HD ARG 65 -6.770 -13.144 -2.278 493 HE ARG 65 HE ARG 65 -9.069 -12.254 -3.607 494 HH11 ARG 65 2HH1 ARG 65 -5.953 -13.638 -4.315 495 HH12 ARG 65 1HH1 ARG 65 -6.487 -14.426 -5.763 496 HH21 ARG 65 2HH2 ARG 65 -9.783 -13.286 -5.512 497 HH22 ARG 65 1HH2 ARG 65 -8.665 -14.225 -6.443 498 H LEU 66 H LEU 66 -5.649 -9.724 2.354 499 HA LEU 66 HA LEU 66 -3.531 -11.712 2.851 500 HB2 LEU 66 1HB LEU 66 -3.107 -8.738 2.882 501 HB3 LEU 66 2HB LEU 66 -1.890 -10.013 2.877 502 HG LEU 66 HG LEU 66 -3.729 -9.636 0.538 503 HD11 LEU 66 1HD1 LEU 66 -1.135 -8.437 0.162 504 HD12 LEU 66 2HD1 LEU 66 -2.019 -7.643 1.463 505 HD13 LEU 66 3HD1 LEU 66 -2.740 -7.769 -0.141 506 HD21 LEU 66 1HD2 LEU 66 -2.353 -11.062 -0.536 507 HD22 LEU 66 2HD2 LEU 66 -1.953 -11.581 1.101 508 HD23 LEU 66 3HD2 LEU 66 -0.907 -10.437 0.258 509 H HIS 67 H HIS 67 -2.306 -9.661 4.685 510 HA HIS 67 HA HIS 67 -2.516 -8.858 6.836 511 HB2 HIS 67 1HB HIS 67 -5.065 -8.708 6.145 512 HB3 HIS 67 2HB HIS 67 -5.208 -10.102 7.211 513 HD1 HIS 67 1HD HIS 67 -2.615 -7.987 8.508 514 HD2 HIS 67 2HD HIS 67 -6.768 -7.998 8.652 515 HE1 HIS 67 1HE HIS 67 -3.225 -6.508 10.449 516 H LYS 68 H LYS 68 -4.147 -10.448 8.816 517 HA LYS 68 HA LYS 68 -2.332 -11.977 10.031 518 HB2 LYS 68 1HB LYS 68 -5.277 -12.486 9.693 519 HB3 LYS 68 2HB LYS 68 -4.280 -13.545 10.681 520 HG2 LYS 68 1HG LYS 68 -4.099 -12.043 12.345 521 HG3 LYS 68 2HG LYS 68 -4.011 -10.669 11.240 522 HD2 LYS 68 1HD LYS 68 -6.531 -12.200 11.881 523 HD3 LYS 68 2HD LYS 68 -6.058 -10.682 12.646 524 HE2 LYS 68 1HE LYS 68 -7.229 -9.708 11.005 525 HE3 LYS 68 2HE LYS 68 -5.839 -10.081 9.989 526 HZ1 LYS 68 1HZ LYS 68 -7.537 -12.330 10.158 527 HZ2 LYS 68 2HZ LYS 68 -7.080 -11.447 8.790 528 HZ3 LYS 68 3HZ LYS 68 -8.441 -10.981 9.682 529 H THR 69 H THR 69 -4.022 -12.858 7.102 530 HA THR 69 HA THR 69 -3.814 -15.483 6.763 531 HB THR 69 HB THR 69 -3.056 -15.119 4.397 532 HG1 THR 69 1HG THR 69 -2.824 -12.447 5.353 533 HG21 THR 69 1HG2 THR 69 -5.023 -13.111 4.321 534 HG22 THR 69 2HG2 THR 69 -5.412 -14.127 5.710 535 HG23 THR 69 3HG2 THR 69 -5.249 -14.846 4.108 536 H GLU 70 H GLU 70 -2.351 -17.016 7.091 537 HA GLU 70 HA GLU 70 0.303 -16.469 7.860 538 HB2 GLU 70 1HB GLU 70 -1.395 -18.793 7.584 539 HB3 GLU 70 2HB GLU 70 0.229 -19.138 7.008 540 HG2 GLU 70 1HG GLU 70 1.167 -18.445 9.125 541 HG3 GLU 70 2HG GLU 70 -0.432 -17.986 9.707 542 H PHE 71 H PHE 71 1.485 -15.362 6.365 543 HA PHE 71 HA PHE 71 1.615 -16.278 3.618 544 HB2 PHE 71 1HB PHE 71 1.664 -13.946 3.735 545 HB3 PHE 71 2HB PHE 71 2.748 -13.941 5.122 546 HD1 PHE 71 2HD PHE 71 2.525 -14.327 1.481 547 HD2 PHE 71 1HD PHE 71 5.119 -14.074 4.845 548 HE1 PHE 71 2HE PHE 71 4.443 -13.997 -0.026 549 HE2 PHE 71 1HE PHE 71 7.041 -13.743 3.344 550 HZ PHE 71 HZ PHE 71 6.704 -13.706 0.905 551 H LEU 72 H LEU 72 2.841 -17.979 3.156 552 HA LEU 72 HA LEU 72 4.578 -19.447 3.098 553 HB2 LEU 72 1HB LEU 72 5.803 -16.795 3.453 554 HB3 LEU 72 2HB LEU 72 6.837 -18.164 3.855 555 HG LEU 72 HG LEU 72 5.485 -18.437 1.277 556 HD11 LEU 72 1HD1 LEU 72 7.038 -15.996 1.911 557 HD12 LEU 72 2HD1 LEU 72 5.732 -16.244 0.752 558 HD13 LEU 72 3HD1 LEU 72 7.364 -16.792 0.372 559 HD21 LEU 72 1HD2 LEU 72 7.652 -19.522 2.541 560 HD22 LEU 72 2HD2 LEU 72 8.406 -18.389 1.419 561 HD23 LEU 72 3HD2 LEU 72 7.317 -19.638 0.814 562 H GLY 73 H GLY 73 3.090 -19.000 5.636 563 HA2 GLY 73 1HA GLY 73 3.256 -20.407 7.543 564 HA3 GLY 73 2HA GLY 73 5.004 -20.393 7.369 565 H LYS 74 H LYS 74 4.577 -17.334 6.923 566 HA LYS 74 HA LYS 74 4.626 -16.687 9.793 567 HB2 LYS 74 1HB LYS 74 5.973 -15.454 7.405 568 HB3 LYS 74 2HB LYS 74 5.776 -14.548 8.900 569 HG2 LYS 74 1HG LYS 74 7.171 -17.207 8.682 570 HG3 LYS 74 2HG LYS 74 7.980 -15.638 8.689 571 HD2 LYS 74 1HD LYS 74 8.059 -15.818 10.911 572 HD3 LYS 74 2HD LYS 74 6.313 -15.556 10.906 573 HE2 LYS 74 1HE LYS 74 6.555 -18.235 10.307 574 HE3 LYS 74 2HE LYS 74 7.843 -17.966 11.480 575 HZ1 LYS 74 1HZ LYS 74 5.538 -18.580 12.345 576 HZ2 LYS 74 2HZ LYS 74 5.103 -16.988 11.979 577 HZ3 LYS 74 3HZ LYS 74 6.338 -17.292 13.094 578 H GLU 75 H GLU 75 3.273 -15.185 10.632 579 HA GLU 75 HA GLU 75 1.030 -14.367 9.012 580 HB2 GLU 75 1HB GLU 75 0.435 -15.043 11.186 581 HB3 GLU 75 2HB GLU 75 1.723 -14.103 11.925 582 HG2 GLU 75 1HG GLU 75 0.580 -12.074 11.584 583 HG3 GLU 75 2HG GLU 75 -0.571 -12.821 10.478 584 H MET 76 H MET 76 0.720 -12.444 8.085 585 HA MET 76 HA MET 76 2.629 -10.291 8.719 586 HB2 MET 76 1HB MET 76 2.981 -10.930 6.470 587 HB3 MET 76 2HB MET 76 1.255 -11.048 6.148 588 HG2 MET 76 1HG MET 76 2.077 -8.388 6.992 589 HG3 MET 76 2HG MET 76 2.879 -8.930 5.520 590 HE1 MET 76 1HE MET 76 1.464 -10.557 4.085 591 HE2 MET 76 2HE MET 76 -0.294 -10.657 4.181 592 HE3 MET 76 3HE MET 76 0.465 -9.582 3.006 593 H LYS 77 H LYS 77 1.886 -8.245 9.120 594 HA LYS 77 HA LYS 77 -1.014 -8.002 9.524 595 HB2 LYS 77 1HB LYS 77 1.306 -7.179 11.050 596 HB3 LYS 77 2HB LYS 77 0.252 -5.810 10.722 597 HG2 LYS 77 1HG LYS 77 -1.385 -6.573 12.067 598 HG3 LYS 77 2HG LYS 77 -1.085 -8.263 11.655 599 HD2 LYS 77 1HD LYS 77 1.090 -6.998 13.152 600 HD3 LYS 77 2HD LYS 77 -0.438 -7.078 14.034 601 HE2 LYS 77 1HE LYS 77 -0.407 -9.559 13.093 602 HE3 LYS 77 2HE LYS 77 1.331 -9.265 13.077 603 HZ1 LYS 77 1HZ LYS 77 -0.502 -9.452 15.351 604 HZ2 LYS 77 2HZ LYS 77 0.824 -8.412 15.488 605 HZ3 LYS 77 3HZ LYS 77 1.069 -10.057 15.179 606 H LEU 78 H LEU 78 -1.924 -5.785 9.200 607 HA LEU 78 HA LEU 78 -0.554 -4.158 7.215 608 HB2 LEU 78 1HB LEU 78 -3.076 -5.689 6.707 609 HB3 LEU 78 2HB LEU 78 -2.768 -4.167 5.875 610 HG LEU 78 HG LEU 78 -0.600 -6.157 5.721 611 HD11 LEU 78 1HD1 LEU 78 -1.948 -7.861 5.192 612 HD12 LEU 78 2HD1 LEU 78 -2.181 -7.006 3.667 613 HD13 LEU 78 3HD1 LEU 78 -3.350 -6.812 4.974 614 HD21 LEU 78 1HD2 LEU 78 -0.067 -4.957 3.919 615 HD22 LEU 78 2HD2 LEU 78 -1.294 -3.807 4.452 616 HD23 LEU 78 3HD2 LEU 78 -1.705 -5.051 3.272 617 H TYR 79 H TYR 79 -0.868 -2.075 7.640 618 HA TYR 79 HA TYR 79 -3.263 -1.308 9.177 619 HB2 TYR 79 1HB TYR 79 -0.516 -0.060 9.382 620 HB3 TYR 79 2HB TYR 79 -1.936 0.381 10.323 621 HD1 TYR 79 2HD TYR 79 -3.023 -1.676 11.636 622 HD2 TYR 79 1HD TYR 79 1.033 -1.449 10.373 623 HE1 TYR 79 2HE TYR 79 -2.402 -3.324 13.353 624 HE2 TYR 79 1HE TYR 79 1.666 -3.096 12.087 625 HH TYR 79 HH TYR 79 0.136 -5.092 13.372 626 H PHE 80 H PHE 80 -4.478 0.280 8.356 627 HA PHE 80 HA PHE 80 -4.119 1.216 5.748 628 HB2 PHE 80 1HB PHE 80 -5.935 1.867 8.003 629 HB3 PHE 80 2HB PHE 80 -5.805 3.068 6.723 630 HD1 PHE 80 2HD PHE 80 -5.863 1.918 4.270 631 HD2 PHE 80 1HD PHE 80 -7.658 0.381 7.810 632 HE1 PHE 80 2HE PHE 80 -7.454 0.632 2.902 633 HE2 PHE 80 1HE PHE 80 -9.250 -0.908 6.448 634 HZ PHE 80 HZ PHE 80 -9.149 -0.784 3.990 635 H ALA 81 H ALA 81 -2.622 2.559 5.014 636 HA ALA 81 HA ALA 81 -0.906 4.112 6.539 637 HB1 ALA 81 1HB ALA 81 -0.252 3.620 4.335 638 HB2 ALA 81 2HB ALA 81 -1.727 4.307 3.655 639 HB3 ALA 81 3HB ALA 81 -0.506 5.365 4.364 640 H GLN 82 H GLN 82 -0.823 6.267 7.118 641 HA GLN 82 HA GLN 82 -1.736 8.160 8.021 642 HB2 GLN 82 1HB GLN 82 -1.356 8.829 5.687 643 HB3 GLN 82 2HB GLN 82 -2.967 8.267 5.262 644 HG2 GLN 82 1HG GLN 82 -3.992 10.067 6.175 645 HG3 GLN 82 2HG GLN 82 -2.775 10.258 7.438 646 HE21 GLN 82 2HE2 GLN 82 -2.650 12.476 7.051 647 HE22 GLN 82 1HE2 GLN 82 -1.840 13.117 5.666 648 H THR 83 H THR 83 -3.052 7.194 9.606 649 HA THR 83 HA THR 83 -5.886 7.654 9.188 650 HB THR 83 HB THR 83 -6.437 5.392 10.230 651 HG1 THR 83 1HG THR 83 -3.831 4.762 9.257 652 HG21 THR 83 1HG2 THR 83 -6.554 4.302 8.111 653 HG22 THR 83 2HG2 THR 83 -5.210 5.252 7.479 654 HG23 THR 83 3HG2 THR 83 -6.757 6.028 7.814 655 H LEU 84 H LEU 84 -6.029 9.147 10.780 656 HA LEU 84 HA LEU 84 -6.077 10.065 12.860 657 HB2 LEU 84 1HB LEU 84 -6.673 7.216 13.219 658 HB3 LEU 84 2HB LEU 84 -6.116 8.037 14.676 659 HG LEU 84 HG LEU 84 -8.410 9.069 13.026 660 HD11 LEU 84 1HD1 LEU 84 -8.829 6.730 13.788 661 HD12 LEU 84 2HD1 LEU 84 -9.935 7.925 14.463 662 HD13 LEU 84 3HD1 LEU 84 -8.618 7.290 15.448 663 HD21 LEU 84 1HD2 LEU 84 -7.023 10.339 14.914 664 HD22 LEU 84 2HD2 LEU 84 -8.147 9.460 15.952 665 HD23 LEU 84 3HD2 LEU 84 -8.763 10.551 14.709 666 H HIS 85 H HIS 85 -3.990 10.945 12.776 667 HA HIS 85 HA HIS 85 -2.139 9.736 14.673 668 HB2 HIS 85 1HB HIS 85 -1.396 8.885 12.491 669 HB3 HIS 85 2HB HIS 85 -1.301 10.533 11.876 670 HD1 HIS 85 1HD HIS 85 0.287 12.018 13.864 671 HD2 HIS 85 2HD HIS 85 1.129 8.058 12.931 672 HE1 HIS 85 1HE HIS 85 2.690 11.669 14.518 673 H ILE 86 H ILE 86 -2.692 12.460 12.455 674 HA ILE 86 HA ILE 86 -1.242 14.256 14.222 675 HB ILE 86 HB ILE 86 -2.663 14.815 11.616 676 HG12 ILE 86 1HG1 ILE 86 0.211 15.130 11.607 677 HG13 ILE 86 2HG1 ILE 86 -0.229 13.504 12.117 678 HG21 ILE 86 1HG2 ILE 86 -2.099 16.995 11.775 679 HG22 ILE 86 2HG2 ILE 86 -2.139 16.654 13.503 680 HG23 ILE 86 3HG2 ILE 86 -0.601 16.657 12.641 681 HD11 ILE 86 1HD1 ILE 86 -0.933 12.924 10.073 682 HD12 ILE 86 2HD1 ILE 86 -1.673 14.497 9.766 683 HD13 ILE 86 3HD1 ILE 86 0.064 14.281 9.550 684 H GLY 87 H GLY 87 -2.407 14.644 16.041 685 HA2 GLY 87 1HA GLY 87 -4.379 16.550 16.126 686 HA3 GLY 87 2HA GLY 87 -5.246 15.026 16.016 687 H SER 88 H SER 88 -2.402 16.233 17.803 688 HA SER 88 HA SER 88 -3.667 15.238 20.270 689 HB2 SER 88 1HB SER 88 -1.930 13.678 19.830 690 HB3 SER 88 2HB SER 88 -0.802 14.952 19.367 691 HG SER 88 HG SER 88 -0.280 15.173 21.383 692 H SER 89 H SER 89 -1.004 17.306 19.108 693 HA SER 89 HA SER 89 -1.964 19.634 20.376 694 HB2 SER 89 1HB SER 89 -1.222 18.261 22.382 695 HB3 SER 89 2HB SER 89 0.427 18.436 21.783 696 HG SER 89 HG SER 89 0.456 20.388 22.542 697 H HIS 90 H HIS 90 -1.253 21.153 19.049 698 HA HIS 90 HA HIS 90 1.519 20.990 18.068 699 HB2 HIS 90 1HB HIS 90 0.849 21.759 15.899 700 HB3 HIS 90 2HB HIS 90 -0.177 20.388 16.313 701 HD1 HIS 90 1HD HIS 90 -0.383 23.671 14.952 702 HD2 HIS 90 2HD HIS 90 -2.777 21.400 17.477 703 HE1 HIS 90 1HE HIS 90 -2.659 24.735 14.857 704 H LEU 91 H LEU 91 2.708 22.769 18.366 705 HA LEU 91 HA LEU 91 1.572 25.400 18.428 706 HB2 LEU 91 1HB LEU 91 1.712 23.963 20.856 707 HB3 LEU 91 2HB LEU 91 2.981 25.185 20.905 708 HG LEU 91 HG LEU 91 0.097 25.820 20.306 709 HD11 LEU 91 1HD1 LEU 91 1.457 25.304 22.860 710 HD12 LEU 91 2HD1 LEU 91 -0.257 25.246 22.450 711 HD13 LEU 91 3HD1 LEU 91 0.515 26.795 22.788 712 HD21 LEU 91 1HD2 LEU 91 1.747 27.457 19.538 713 HD22 LEU 91 2HD2 LEU 91 2.420 27.542 21.166 714 HD23 LEU 91 3HD2 LEU 91 0.772 28.093 20.863 715 H ALA 92 H ALA 92 4.374 23.432 19.384 716 HA ALA 92 HA ALA 92 6.117 24.761 17.588 717 HB1 ALA 92 1HB ALA 92 6.587 25.414 20.492 718 HB2 ALA 92 2HB ALA 92 7.531 25.962 19.106 719 HB3 ALA 92 3HB ALA 92 5.874 26.528 19.324 720 HA PRO 93 HA PRO 93 7.470 20.572 18.863 721 HB2 PRO 93 1HB PRO 93 8.307 19.864 16.379 722 HB3 PRO 93 2HB PRO 93 6.623 19.726 16.901 723 HG2 PRO 93 1HG PRO 93 7.928 21.864 15.263 724 HG3 PRO 93 2HG PRO 93 6.357 21.077 15.028 725 HD2 PRO 93 1HD PRO 93 6.607 23.527 16.156 726 HD3 PRO 93 2HD PRO 93 5.322 22.390 16.615 727 HA PRO 94 HA PRO 94 11.801 21.251 19.205 728 HB2 PRO 94 1HB PRO 94 12.857 18.801 18.700 729 HB3 PRO 94 2HB PRO 94 11.972 19.179 20.183 730 HG2 PRO 94 1HG PRO 94 11.017 17.787 17.710 731 HG3 PRO 94 2HG PRO 94 10.717 17.379 19.410 732 HD2 PRO 94 1HD PRO 94 8.898 18.677 17.880 733 HD3 PRO 94 2HD PRO 94 9.054 18.960 19.626 734 H ASN 95 H ASN 95 11.181 19.142 16.388 735 HA ASN 95 HA ASN 95 12.069 20.871 14.427 736 HB2 ASN 95 1HB ASN 95 14.350 19.844 13.955 737 HB3 ASN 95 2HB ASN 95 14.259 20.926 15.342 738 HD21 ASN 95 2HD2 ASN 95 15.056 20.221 17.188 739 HD22 ASN 95 1HD2 ASN 95 15.402 18.573 17.578 740 HA PRO 96 HA PRO 96 10.362 17.526 12.120 741 HB2 PRO 96 1HB PRO 96 11.016 18.384 9.629 742 HB3 PRO 96 2HB PRO 96 9.723 19.115 10.588 743 HG2 PRO 96 1HG PRO 96 12.541 20.044 10.184 744 HG3 PRO 96 2HG PRO 96 11.040 20.989 10.185 745 HD2 PRO 96 1HD PRO 96 12.699 20.886 12.323 746 HD3 PRO 96 2HD PRO 96 10.940 21.061 12.487 747 H ASP 97 H ASP 97 13.638 18.612 11.262 748 HA ASP 97 HA ASP 97 14.508 16.470 9.777 749 HB2 ASP 97 1HB ASP 97 15.764 18.571 11.368 750 HB3 ASP 97 2HB ASP 97 16.725 17.096 11.316 751 H LYS 98 H LYS 98 15.053 14.406 10.149 752 HA LYS 98 HA LYS 98 15.737 13.450 12.776 753 HB2 LYS 98 1HB LYS 98 13.144 13.553 12.569 754 HB3 LYS 98 2HB LYS 98 13.337 12.146 11.531 755 HG2 LYS 98 1HG LYS 98 13.893 10.781 13.248 756 HG3 LYS 98 2HG LYS 98 14.704 12.063 14.151 757 HD2 LYS 98 1HD LYS 98 12.897 12.050 15.471 758 HD3 LYS 98 2HD LYS 98 12.082 12.886 14.147 759 HE2 LYS 98 1HE LYS 98 12.202 9.887 14.370 760 HE3 LYS 98 2HE LYS 98 10.904 10.850 15.072 761 HZ1 LYS 98 1HZ LYS 98 10.911 11.793 12.594 762 HZ2 LYS 98 2HZ LYS 98 9.970 10.473 13.074 763 HZ3 LYS 98 3HZ LYS 98 11.446 10.217 12.288 764 H SER 99 H SER 99 16.535 11.286 12.765 765 HA SER 99 HA SER 99 16.565 9.602 10.523 766 HB2 SER 99 1HB SER 99 18.078 11.719 9.908 767 HB3 SER 99 2HB SER 99 19.287 10.783 10.785 768 HG SER 99 HG SER 99 19.488 9.675 9.023 769 H GLY 100 H GLY 100 17.248 7.620 11.119 770 HA2 GLY 100 1HA GLY 100 19.171 6.505 12.403 771 HA3 GLY 100 2HA GLY 100 18.527 7.410 13.765 772 HA PRO 101 HA PRO 101 16.550 3.190 13.633 773 HB2 PRO 101 1HB PRO 101 17.100 2.570 16.218 774 HB3 PRO 101 2HB PRO 101 18.220 2.239 14.893 775 HG2 PRO 101 1HG PRO 101 18.216 4.506 16.847 776 HG3 PRO 101 2HG PRO 101 19.581 3.539 16.258 777 HD2 PRO 101 1HD PRO 101 19.021 6.007 15.295 778 HD3 PRO 101 2HD PRO 101 19.739 4.730 14.291 779 H SER 102 H SER 102 15.040 2.339 15.555 780 HA SER 102 HA SER 102 13.045 4.399 15.880 781 HB2 SER 102 1HB SER 102 11.640 2.596 16.778 782 HB3 SER 102 2HB SER 102 12.389 2.108 15.258 783 HG SER 102 HG SER 102 13.183 0.491 16.318 784 H SER 103 H SER 103 13.506 5.861 17.421 785 HA SER 103 HA SER 103 13.999 6.775 19.450 786 HB2 SER 103 1HB SER 103 12.400 4.333 20.077 787 HB3 SER 103 2HB SER 103 13.155 5.198 21.416 788 HG SER 103 HG SER 103 11.760 6.702 19.528 789 H GLY 104 H GLY 104 14.338 3.526 20.736 790 HA2 GLY 104 1HA GLY 104 17.218 3.532 20.536 791 HA3 GLY 104 2HA GLY 104 16.623 3.860 22.155 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 0.706 19.252 -1.867 2 HA2 GLY 1 1HA GLY 1 -0.576 17.146 -0.694 3 HA3 GLY 1 2HA GLY 1 -1.424 18.458 -1.496 4 H SER 2 H SER 2 0.177 15.355 -2.132 5 HA SER 2 HA SER 2 -0.929 14.995 -4.709 6 HB2 SER 2 1HB SER 2 0.125 12.955 -2.735 7 HB3 SER 2 2HB SER 2 -0.239 12.623 -4.429 8 HG SER 2 HG SER 2 1.709 13.289 -4.806 9 H SER 3 H SER 3 -2.901 14.409 -5.323 10 HA SER 3 HA SER 3 -4.854 13.685 -3.289 11 HB2 SER 3 1HB SER 3 -5.020 15.315 -5.477 12 HB3 SER 3 2HB SER 3 -5.749 13.832 -6.091 13 HG SER 3 HG SER 3 -7.357 14.010 -4.680 14 H GLY 4 H GLY 4 -4.132 11.551 -2.844 15 HA2 GLY 4 1HA GLY 4 -5.020 9.619 -4.878 16 HA3 GLY 4 2HA GLY 4 -3.450 9.415 -4.116 17 H SER 5 H SER 5 -3.630 9.573 -1.594 18 HA SER 5 HA SER 5 -4.216 8.381 0.262 19 HB2 SER 5 1HB SER 5 -5.942 10.115 0.332 20 HB3 SER 5 2HB SER 5 -6.980 9.146 -0.712 21 HG SER 5 HG SER 5 -7.398 7.804 0.911 22 H SER 6 H SER 6 -3.551 6.317 -0.210 23 HA SER 6 HA SER 6 -5.415 4.263 -0.215 24 HB2 SER 6 1HB SER 6 -5.004 3.367 -2.568 25 HB3 SER 6 2HB SER 6 -6.063 4.772 -2.446 26 HG SER 6 HG SER 6 -3.866 5.916 -2.755 27 H GLY 7 H GLY 7 -3.114 4.751 1.169 28 HA2 GLY 7 1HA GLY 7 -1.148 2.849 0.073 29 HA3 GLY 7 2HA GLY 7 -0.801 4.075 1.283 30 H LEU 8 H LEU 8 -0.309 1.180 1.335 31 HA LEU 8 HA LEU 8 -1.764 0.590 3.821 32 HB2 LEU 8 1HB LEU 8 -1.385 -1.125 1.411 33 HB3 LEU 8 2HB LEU 8 -1.446 -1.881 3.002 34 HG LEU 8 HG LEU 8 -3.631 -0.092 1.959 35 HD11 LEU 8 1HD1 LEU 8 -2.929 -2.705 1.063 36 HD12 LEU 8 2HD1 LEU 8 -4.295 -1.699 0.587 37 HD13 LEU 8 3HD1 LEU 8 -4.444 -2.794 1.961 38 HD21 LEU 8 1HD2 LEU 8 -4.798 -1.775 3.677 39 HD22 LEU 8 2HD2 LEU 8 -4.083 -0.242 4.173 40 HD23 LEU 8 3HD2 LEU 8 -3.177 -1.742 4.371 41 H ILE 9 H ILE 9 -0.502 0.041 5.486 42 HA ILE 9 HA ILE 9 2.358 -0.331 4.972 43 HB ILE 9 HB ILE 9 0.906 0.301 7.544 44 HG12 ILE 9 1HG1 ILE 9 0.948 2.154 5.917 45 HG13 ILE 9 2HG1 ILE 9 1.939 2.506 7.329 46 HG21 ILE 9 1HG2 ILE 9 2.818 -0.919 8.168 47 HG22 ILE 9 2HG2 ILE 9 3.816 -0.140 6.941 48 HG23 ILE 9 3HG2 ILE 9 3.272 0.775 8.347 49 HD11 ILE 9 1HD1 ILE 9 3.861 1.554 5.839 50 HD12 ILE 9 2HD1 ILE 9 2.757 1.961 4.525 51 HD13 ILE 9 3HD1 ILE 9 3.302 3.214 5.640 52 H ALA 10 H ALA 10 2.597 -2.473 4.495 53 HA ALA 10 HA ALA 10 1.365 -4.496 6.175 54 HB1 ALA 10 1HB ALA 10 3.348 -5.175 4.060 55 HB2 ALA 10 2HB ALA 10 1.874 -6.017 4.540 56 HB3 ALA 10 3HB ALA 10 1.774 -4.542 3.579 57 H CYS 11 H CYS 11 2.335 -5.545 7.796 58 HA CYS 11 HA CYS 11 5.211 -5.066 8.212 59 HB2 CYS 11 1HB CYS 11 3.480 -4.180 9.907 60 HB3 CYS 11 2HB CYS 11 3.283 -5.863 10.382 61 HG CYS 11 HG CYS 11 6.178 -6.037 10.844 62 H VAL 12 H VAL 12 6.430 -6.771 7.779 63 HA VAL 12 HA VAL 12 5.295 -9.460 8.164 64 HB VAL 12 HB VAL 12 7.809 -9.223 6.648 65 HG11 VAL 12 1HG1 VAL 12 6.490 -11.312 6.964 66 HG12 VAL 12 2HG1 VAL 12 5.206 -10.593 5.990 67 HG13 VAL 12 3HG1 VAL 12 6.788 -10.902 5.275 68 HG21 VAL 12 1HG2 VAL 12 6.764 -7.229 5.812 69 HG22 VAL 12 2HG2 VAL 12 6.624 -8.488 4.585 70 HG23 VAL 12 3HG2 VAL 12 5.232 -8.073 5.585 71 H ALA 13 H ALA 13 6.727 -11.134 8.957 72 HA ALA 13 HA ALA 13 8.632 -10.072 10.925 73 HB1 ALA 13 1HB ALA 13 8.188 -11.907 12.281 74 HB2 ALA 13 2HB ALA 13 6.616 -11.540 11.571 75 HB3 ALA 13 3HB ALA 13 7.578 -12.876 10.939 76 H ASN 14 H ASN 14 8.457 -11.809 8.005 77 HA ASN 14 HA ASN 14 10.954 -13.234 8.394 78 HB2 ASN 14 1HB ASN 14 9.113 -12.996 6.006 79 HB3 ASN 14 2HB ASN 14 10.583 -13.967 6.027 80 HD21 ASN 14 2HD2 ASN 14 8.349 -15.248 5.436 81 HD22 ASN 14 1HD2 ASN 14 7.811 -16.231 6.751 82 H ASP 15 H ASP 15 12.638 -11.841 8.511 83 HA ASP 15 HA ASP 15 12.947 -9.435 7.157 84 HB2 ASP 15 1HB ASP 15 15.426 -9.804 7.549 85 HB3 ASP 15 2HB ASP 15 14.402 -9.896 8.980 86 H ASP 16 H ASP 16 13.155 -12.634 5.971 87 HA ASP 16 HA ASP 16 14.927 -12.223 3.802 88 HB2 ASP 16 1HB ASP 16 12.861 -14.284 4.479 89 HB3 ASP 16 2HB ASP 16 13.563 -14.261 2.864 90 H VAL 17 H VAL 17 11.542 -11.574 4.282 91 HA VAL 17 HA VAL 17 10.693 -11.386 1.621 92 HB VAL 17 HB VAL 17 9.747 -10.049 4.141 93 HG11 VAL 17 1HG1 VAL 17 7.728 -9.388 2.721 94 HG12 VAL 17 2HG1 VAL 17 9.190 -8.412 2.559 95 HG13 VAL 17 3HG1 VAL 17 8.789 -9.613 1.330 96 HG21 VAL 17 1HG2 VAL 17 9.116 -12.290 4.135 97 HG22 VAL 17 2HG2 VAL 17 7.694 -11.467 3.493 98 HG23 VAL 17 3HG2 VAL 17 8.802 -12.298 2.400 99 H PHE 18 H PHE 18 12.834 -9.418 3.396 100 HA PHE 18 HA PHE 18 12.408 -7.058 1.753 101 HB2 PHE 18 1HB PHE 18 14.414 -7.617 3.947 102 HB3 PHE 18 2HB PHE 18 14.219 -6.070 3.130 103 HD1 PHE 18 1HD PHE 18 12.497 -8.530 5.290 104 HD2 PHE 18 2HD PHE 18 12.587 -4.537 3.820 105 HE1 PHE 18 1HE PHE 18 10.772 -7.893 6.924 106 HE2 PHE 18 2HE PHE 18 10.862 -3.894 5.453 107 HZ PHE 18 HZ PHE 18 9.952 -5.572 7.008 108 H SER 19 H SER 19 14.591 -9.759 2.010 109 HA SER 19 HA SER 19 16.764 -8.784 0.549 110 HB2 SER 19 1HB SER 19 16.335 -11.078 1.832 111 HB3 SER 19 2HB SER 19 15.964 -11.637 0.201 112 HG SER 19 HG SER 19 18.109 -10.414 -0.219 113 H GLU 20 H GLU 20 17.368 -9.063 -1.642 114 HA GLU 20 HA GLU 20 15.144 -8.769 -3.472 115 HB2 GLU 20 1HB GLU 20 18.133 -8.550 -3.828 116 HB3 GLU 20 2HB GLU 20 16.991 -8.368 -5.152 117 HG2 GLU 20 1HG GLU 20 15.906 -6.566 -3.649 118 HG3 GLU 20 2HG GLU 20 17.450 -6.590 -2.799 119 H SER 21 H SER 21 16.798 -11.345 -2.246 120 HA SER 21 HA SER 21 17.542 -13.025 -4.237 121 HB2 SER 21 1HB SER 21 16.690 -14.906 -2.809 122 HB3 SER 21 2HB SER 21 17.671 -13.731 -1.936 123 HG SER 21 HG SER 21 15.951 -13.916 -0.658 124 H GLU 22 H GLU 22 14.258 -13.314 -2.895 125 HA GLU 22 HA GLU 22 12.918 -13.050 -5.364 126 HB2 GLU 22 1HB GLU 22 14.213 -15.376 -5.399 127 HB3 GLU 22 2HB GLU 22 12.799 -15.896 -4.494 128 HG2 GLU 22 1HG GLU 22 11.344 -15.389 -6.266 129 HG3 GLU 22 2HG GLU 22 12.573 -14.450 -7.111 130 H THR 23 H THR 23 12.929 -14.543 -2.168 131 HA THR 23 HA THR 23 10.351 -15.058 -1.613 132 HB THR 23 HB THR 23 12.111 -13.437 0.234 133 HG1 THR 23 1HG THR 23 12.992 -15.363 0.848 134 HG21 THR 23 1HG2 THR 23 10.389 -15.455 1.416 135 HG22 THR 23 2HG2 THR 23 9.471 -14.226 0.545 136 HG23 THR 23 3HG2 THR 23 10.579 -13.752 1.831 137 H ARG 24 H ARG 24 11.744 -11.856 -1.997 138 HA ARG 24 HA ARG 24 9.702 -10.280 -0.983 139 HB2 ARG 24 1HB ARG 24 11.688 -9.177 -1.601 140 HB3 ARG 24 2HB ARG 24 11.661 -9.853 -3.225 141 HG2 ARG 24 1HG ARG 24 9.761 -8.459 -3.800 142 HG3 ARG 24 2HG ARG 24 9.718 -7.816 -2.157 143 HD2 ARG 24 1HD ARG 24 10.856 -6.179 -3.365 144 HD3 ARG 24 2HD ARG 24 12.143 -7.099 -2.587 145 HE ARG 24 HE ARG 24 11.774 -8.264 -5.053 146 HH11 ARG 24 2HH1 ARG 24 12.623 -5.110 -3.848 147 HH12 ARG 24 1HH1 ARG 24 13.588 -4.699 -5.227 148 HH21 ARG 24 2HH2 ARG 24 13.042 -7.735 -6.874 149 HH22 ARG 24 1HH2 ARG 24 13.824 -6.193 -6.949 150 H ALA 25 H ALA 25 10.071 -11.582 -4.270 151 HA ALA 25 HA ALA 25 7.899 -10.440 -5.507 152 HB1 ALA 25 1HB ALA 25 8.248 -13.277 -6.156 153 HB2 ALA 25 2HB ALA 25 8.347 -11.851 -7.191 154 HB3 ALA 25 3HB ALA 25 9.731 -12.323 -6.206 155 H LYS 26 H LYS 26 7.956 -13.403 -3.550 156 HA LYS 26 HA LYS 26 5.320 -14.194 -3.858 157 HB2 LYS 26 1HB LYS 26 7.085 -14.416 -1.414 158 HB3 LYS 26 2HB LYS 26 5.575 -15.291 -1.637 159 HG2 LYS 26 1HG LYS 26 6.459 -16.600 -3.367 160 HG3 LYS 26 2HG LYS 26 7.839 -15.522 -3.591 161 HD2 LYS 26 1HD LYS 26 8.284 -16.188 -1.060 162 HD3 LYS 26 2HD LYS 26 7.373 -17.622 -1.541 163 HE2 LYS 26 1HE LYS 26 8.929 -18.037 -3.351 164 HE3 LYS 26 2HE LYS 26 9.805 -16.555 -2.971 165 HZ1 LYS 26 1HZ LYS 26 10.424 -17.482 -0.847 166 HZ2 LYS 26 2HZ LYS 26 10.900 -18.534 -2.082 167 HZ3 LYS 26 3HZ LYS 26 9.532 -18.887 -1.152 168 H PHE 27 H PHE 27 6.632 -11.544 -2.056 169 HA PHE 27 HA PHE 27 4.172 -11.123 -0.562 170 HB2 PHE 27 1HB PHE 27 6.152 -10.668 0.681 171 HB3 PHE 27 2HB PHE 27 6.826 -9.690 -0.617 172 HD1 PHE 27 1HD PHE 27 5.554 -7.536 -1.226 173 HD2 PHE 27 2HD PHE 27 5.004 -9.662 2.420 174 HE1 PHE 27 1HE PHE 27 4.614 -5.510 -0.191 175 HE2 PHE 27 2HE PHE 27 4.062 -7.641 3.460 176 HZ PHE 27 HZ PHE 27 3.865 -5.563 2.155 177 H GLU 28 H GLU 28 5.993 -9.655 -3.203 178 HA GLU 28 HA GLU 28 4.269 -7.402 -3.493 179 HB2 GLU 28 1HB GLU 28 6.673 -8.411 -4.731 180 HB3 GLU 28 2HB GLU 28 5.533 -7.875 -5.957 181 HG2 GLU 28 1HG GLU 28 5.340 -5.719 -4.675 182 HG3 GLU 28 2HG GLU 28 6.703 -6.272 -3.704 183 H SER 29 H SER 29 4.776 -10.213 -5.635 184 HA SER 29 HA SER 29 2.859 -9.925 -7.475 185 HB2 SER 29 1HB SER 29 2.534 -12.415 -7.436 186 HB3 SER 29 2HB SER 29 4.224 -11.911 -7.456 187 HG SER 29 HG SER 29 3.780 -13.568 -5.908 188 H LEU 30 H LEU 30 2.281 -10.873 -4.129 189 HA LEU 30 HA LEU 30 -0.372 -11.604 -4.228 190 HB2 LEU 30 1HB LEU 30 1.277 -10.222 -2.151 191 HB3 LEU 30 2HB LEU 30 -0.446 -10.481 -1.883 192 HG LEU 30 HG LEU 30 1.479 -12.717 -2.489 193 HD11 LEU 30 1HD1 LEU 30 0.665 -11.518 0.142 194 HD12 LEU 30 2HD1 LEU 30 2.289 -11.825 -0.469 195 HD13 LEU 30 3HD1 LEU 30 1.252 -13.175 -0.007 196 HD21 LEU 30 1HD2 LEU 30 -0.501 -13.836 -1.110 197 HD22 LEU 30 2HD2 LEU 30 -0.565 -13.639 -2.862 198 HD23 LEU 30 3HD2 LEU 30 -1.399 -12.491 -1.813 199 H PHE 31 H PHE 31 0.774 -8.331 -3.380 200 HA PHE 31 HA PHE 31 -1.788 -7.153 -3.671 201 HB2 PHE 31 1HB PHE 31 0.860 -5.709 -3.805 202 HB3 PHE 31 2HB PHE 31 -0.696 -5.055 -3.305 203 HD1 PHE 31 2HD PHE 31 2.051 -7.315 -2.346 204 HD2 PHE 31 1HD PHE 31 -1.478 -5.299 -1.084 205 HE1 PHE 31 2HE PHE 31 2.576 -7.868 -0.008 206 HE2 PHE 31 1HE PHE 31 -0.957 -5.847 1.258 207 HZ PHE 31 HZ PHE 31 1.071 -7.135 1.798 208 H ARG 32 H ARG 32 1.142 -6.914 -5.691 209 HA ARG 32 HA ARG 32 0.308 -5.357 -7.732 210 HB2 ARG 32 1HB ARG 32 2.458 -6.935 -7.368 211 HB3 ARG 32 2HB ARG 32 1.624 -7.865 -8.606 212 HG2 ARG 32 1HG ARG 32 1.838 -4.985 -9.143 213 HG3 ARG 32 2HG ARG 32 3.367 -5.867 -9.109 214 HD2 ARG 32 1HD ARG 32 2.037 -7.569 -10.610 215 HD3 ARG 32 2HD ARG 32 1.044 -6.153 -10.952 216 HE ARG 32 HE ARG 32 3.711 -5.421 -11.291 217 HH11 ARG 32 2HH1 ARG 32 1.373 -7.557 -12.735 218 HH12 ARG 32 1HH1 ARG 32 2.081 -7.478 -14.314 219 HH21 ARG 32 2HH2 ARG 32 4.653 -5.308 -13.365 220 HH22 ARG 32 1HH2 ARG 32 3.947 -6.198 -14.671 221 H THR 33 H THR 33 -0.479 -8.785 -7.322 222 HA THR 33 HA THR 33 -1.697 -9.462 -9.633 223 HB THR 33 HB THR 33 -2.549 -10.056 -6.809 224 HG1 THR 33 1HG THR 33 -1.104 -11.563 -7.097 225 HG21 THR 33 1HG2 THR 33 -4.576 -10.619 -7.588 226 HG22 THR 33 2HG2 THR 33 -3.760 -11.975 -8.366 227 HG23 THR 33 3HG2 THR 33 -4.059 -10.490 -9.268 228 H TYR 34 H TYR 34 -3.127 -7.460 -7.083 229 HA TYR 34 HA TYR 34 -5.648 -7.168 -8.373 230 HB2 TYR 34 1HB TYR 34 -4.486 -5.251 -6.357 231 HB3 TYR 34 2HB TYR 34 -6.181 -5.622 -6.656 232 HD1 TYR 34 1HD TYR 34 -6.441 -8.436 -6.538 233 HD2 TYR 34 2HD TYR 34 -3.846 -5.950 -4.260 234 HE1 TYR 34 1HE TYR 34 -6.386 -10.134 -4.759 235 HE2 TYR 34 2HE TYR 34 -3.783 -7.641 -2.475 236 HH TYR 34 HH TYR 34 -4.316 -10.538 -2.666 237 H ASP 35 H ASP 35 -3.266 -4.610 -7.680 238 HA ASP 35 HA ASP 35 -4.060 -3.314 -10.198 239 HB2 ASP 35 1HB ASP 35 -4.171 -2.201 -7.786 240 HB3 ASP 35 2HB ASP 35 -2.475 -1.865 -8.127 241 H LYS 36 H LYS 36 -2.545 -2.679 -11.691 242 HA LYS 36 HA LYS 36 0.057 -3.976 -11.460 243 HB2 LYS 36 1HB LYS 36 0.276 -3.489 -13.859 244 HB3 LYS 36 2HB LYS 36 -1.213 -4.355 -13.507 245 HG2 LYS 36 1HG LYS 36 -2.430 -2.750 -14.421 246 HG3 LYS 36 2HG LYS 36 -1.672 -1.524 -13.401 247 HD2 LYS 36 1HD LYS 36 0.093 -1.200 -14.961 248 HD3 LYS 36 2HD LYS 36 -0.383 -2.622 -15.893 249 HE2 LYS 36 1HE LYS 36 -2.668 -1.084 -15.875 250 HE3 LYS 36 2HE LYS 36 -1.381 0.115 -16.003 251 HZ1 LYS 36 1HZ LYS 36 -1.402 -2.265 -17.747 252 HZ2 LYS 36 2HZ LYS 36 -0.645 -0.773 -17.995 253 HZ3 LYS 36 3HZ LYS 36 -2.326 -0.903 -18.139 254 H ASP 37 H ASP 37 -1.183 -1.065 -10.635 255 HA ASP 37 HA ASP 37 1.315 0.367 -11.263 256 HB2 ASP 37 1HB ASP 37 -1.524 1.221 -11.209 257 HB3 ASP 37 2HB ASP 37 -0.350 2.370 -10.573 258 H THR 38 H THR 38 0.468 -1.439 -8.949 259 HA THR 38 HA THR 38 0.427 0.316 -6.664 260 HB THR 38 HB THR 38 1.048 -2.177 -5.672 261 HG1 THR 38 1HG THR 38 -0.637 -3.407 -7.012 262 HG21 THR 38 1HG2 THR 38 -1.274 -2.304 -5.046 263 HG22 THR 38 2HG2 THR 38 -1.726 -1.188 -6.334 264 HG23 THR 38 3HG2 THR 38 -0.765 -0.618 -4.970 265 H THR 39 H THR 39 2.154 1.230 -5.787 266 HA THR 39 HA THR 39 4.811 0.209 -6.452 267 HB THR 39 HB THR 39 5.633 2.339 -5.450 268 HG1 THR 39 1HG THR 39 2.989 3.306 -5.476 269 HG21 THR 39 1HG2 THR 39 3.522 2.990 -7.481 270 HG22 THR 39 2HG2 THR 39 4.913 1.994 -7.907 271 HG23 THR 39 3HG2 THR 39 5.153 3.642 -7.326 272 H PHE 40 H PHE 40 6.253 -0.538 -4.964 273 HA PHE 40 HA PHE 40 5.266 -0.809 -2.202 274 HB2 PHE 40 1HB PHE 40 7.181 -2.666 -3.622 275 HB3 PHE 40 2HB PHE 40 6.445 -2.909 -2.042 276 HD1 PHE 40 2HD PHE 40 5.459 -2.343 -5.594 277 HD2 PHE 40 1HD PHE 40 4.600 -4.267 -1.895 278 HE1 PHE 40 2HE PHE 40 3.590 -3.539 -6.654 279 HE2 PHE 40 1HE PHE 40 2.729 -5.467 -2.950 280 HZ PHE 40 HZ PHE 40 2.220 -5.103 -5.332 281 H GLN 41 H GLN 41 6.596 -0.278 -0.531 282 HA GLN 41 HA GLN 41 9.336 0.563 -1.169 283 HB2 GLN 41 1HB GLN 41 7.440 2.420 -0.864 284 HB3 GLN 41 2HB GLN 41 7.825 2.161 0.832 285 HG2 GLN 41 1HG GLN 41 9.695 3.338 0.673 286 HG3 GLN 41 2HG GLN 41 10.220 2.442 -0.752 287 HE21 GLN 41 2HE2 GLN 41 8.658 5.282 0.434 288 HE22 GLN 41 1HE2 GLN 41 8.547 6.111 -1.078 289 H TYR 42 H TYR 42 10.525 -0.878 -0.085 290 HA TYR 42 HA TYR 42 9.667 -1.831 2.526 291 HB2 TYR 42 1HB TYR 42 12.028 -2.585 0.793 292 HB3 TYR 42 2HB TYR 42 11.647 -3.335 2.339 293 HD1 TYR 42 1HD TYR 42 9.897 -2.532 -0.872 294 HD2 TYR 42 2HD TYR 42 10.541 -5.350 2.250 295 HE1 TYR 42 1HE TYR 42 8.420 -4.130 -2.018 296 HE2 TYR 42 2HE TYR 42 9.068 -6.957 1.111 297 HH TYR 42 HH TYR 42 7.240 -6.063 -1.753 298 H PHE 43 H PHE 43 10.572 -1.294 4.433 299 HA PHE 43 HA PHE 43 12.790 0.643 4.366 300 HB2 PHE 43 1HB PHE 43 10.556 0.372 6.387 301 HB3 PHE 43 2HB PHE 43 11.897 1.506 6.515 302 HD1 PHE 43 1HD PHE 43 12.180 3.200 4.610 303 HD2 PHE 43 2HD PHE 43 8.614 0.974 5.277 304 HE1 PHE 43 1HE PHE 43 10.907 4.854 3.306 305 HE2 PHE 43 2HE PHE 43 7.336 2.623 3.973 306 HZ PHE 43 HZ PHE 43 8.483 4.565 2.985 307 H LYS 44 H LYS 44 14.562 -0.588 4.701 308 HA LYS 44 HA LYS 44 14.658 -2.859 6.383 309 HB2 LYS 44 1HB LYS 44 16.270 -1.967 4.463 310 HB3 LYS 44 2HB LYS 44 17.136 -1.296 5.840 311 HG2 LYS 44 1HG LYS 44 18.045 -3.262 6.286 312 HG3 LYS 44 2HG LYS 44 16.456 -4.025 6.371 313 HD2 LYS 44 1HD LYS 44 16.546 -4.020 3.800 314 HD3 LYS 44 2HD LYS 44 18.273 -3.716 4.002 315 HE2 LYS 44 1HE LYS 44 17.762 -5.801 5.744 316 HE3 LYS 44 2HE LYS 44 16.757 -6.173 4.344 317 HZ1 LYS 44 1HZ LYS 44 18.561 -6.418 2.994 318 HZ2 LYS 44 2HZ LYS 44 19.240 -6.934 4.455 319 HZ3 LYS 44 3HZ LYS 44 19.538 -5.367 3.891 320 H SER 45 H SER 45 14.594 0.443 7.088 321 HA SER 45 HA SER 45 16.108 0.255 9.553 322 HB2 SER 45 1HB SER 45 14.488 2.519 8.364 323 HB3 SER 45 2HB SER 45 15.440 2.639 9.843 324 HG SER 45 HG SER 45 16.487 1.929 7.303 325 H PHE 46 H PHE 46 12.754 0.385 8.515 326 HA PHE 46 HA PHE 46 11.927 -0.020 11.314 327 HB2 PHE 46 1HB PHE 46 10.432 1.278 9.030 328 HB3 PHE 46 2HB PHE 46 9.703 0.887 10.584 329 HD1 PHE 46 2HD PHE 46 10.935 1.865 12.673 330 HD2 PHE 46 1HD PHE 46 11.341 3.365 8.711 331 HE1 PHE 46 2HE PHE 46 11.694 4.026 13.573 332 HE2 PHE 46 1HE PHE 46 12.101 5.529 9.603 333 HZ PHE 46 HZ PHE 46 12.277 5.862 12.037 334 H LYS 47 H LYS 47 12.678 -1.862 8.940 335 HA LYS 47 HA LYS 47 11.846 -3.731 7.869 336 HB2 LYS 47 1HB LYS 47 11.280 -4.040 10.800 337 HB3 LYS 47 2HB LYS 47 10.853 -5.322 9.674 338 HG2 LYS 47 1HG LYS 47 13.615 -4.220 9.603 339 HG3 LYS 47 2HG LYS 47 13.163 -5.315 10.911 340 HD2 LYS 47 1HD LYS 47 12.482 -6.997 9.282 341 HD3 LYS 47 2HD LYS 47 12.886 -5.897 7.962 342 HE2 LYS 47 1HE LYS 47 14.651 -7.558 8.355 343 HE3 LYS 47 2HE LYS 47 15.218 -5.912 8.630 344 HZ1 LYS 47 1HZ LYS 47 15.836 -6.518 10.651 345 HZ2 LYS 47 2HZ LYS 47 15.244 -8.084 10.406 346 HZ3 LYS 47 3HZ LYS 47 14.235 -6.889 11.050 347 H ARG 48 H ARG 48 10.108 -1.756 7.271 348 HA ARG 48 HA ARG 48 7.473 -3.039 7.590 349 HB2 ARG 48 1HB ARG 48 8.286 -0.171 7.708 350 HB3 ARG 48 2HB ARG 48 6.716 -0.560 7.018 351 HG2 ARG 48 1HG ARG 48 6.343 -1.919 9.171 352 HG3 ARG 48 2HG ARG 48 7.703 -0.992 9.808 353 HD2 ARG 48 1HD ARG 48 5.746 0.677 8.451 354 HD3 ARG 48 2HD ARG 48 5.051 -0.219 9.801 355 HE ARG 48 HE ARG 48 6.325 1.030 11.261 356 HH11 ARG 48 2HH1 ARG 48 7.336 1.624 7.983 357 HH12 ARG 48 1HH1 ARG 48 8.329 2.983 8.397 358 HH21 ARG 48 2HH2 ARG 48 7.629 2.817 11.819 359 HH22 ARG 48 1HH2 ARG 48 8.495 3.659 10.580 360 H VAL 49 H VAL 49 5.934 -2.359 5.777 361 HA VAL 49 HA VAL 49 7.333 -2.059 3.215 362 HB VAL 49 HB VAL 49 5.127 -4.079 3.541 363 HG11 VAL 49 1HG1 VAL 49 5.279 -3.797 1.302 364 HG12 VAL 49 2HG1 VAL 49 6.933 -3.189 1.380 365 HG13 VAL 49 3HG1 VAL 49 6.624 -4.923 1.481 366 HG21 VAL 49 1HG2 VAL 49 8.085 -4.663 3.594 367 HG22 VAL 49 2HG2 VAL 49 7.036 -4.676 5.012 368 HG23 VAL 49 3HG2 VAL 49 6.769 -5.832 3.707 369 H ARG 50 H ARG 50 6.534 -0.180 2.507 370 HA ARG 50 HA ARG 50 3.724 0.470 2.932 371 HB2 ARG 50 1HB ARG 50 5.405 2.198 3.385 372 HB3 ARG 50 2HB ARG 50 5.962 2.102 1.719 373 HG2 ARG 50 1HG ARG 50 4.373 3.482 1.012 374 HG3 ARG 50 2HG ARG 50 3.115 2.599 1.879 375 HD2 ARG 50 1HD ARG 50 3.297 3.906 3.753 376 HD3 ARG 50 2HD ARG 50 4.985 4.306 3.441 377 HE ARG 50 HE ARG 50 4.304 6.084 2.149 378 HH11 ARG 50 2HH1 ARG 50 1.579 4.051 2.896 379 HH12 ARG 50 1HH1 ARG 50 0.406 5.183 2.307 380 HH21 ARG 50 2HH2 ARG 50 2.770 7.584 1.371 381 HH22 ARG 50 1HH2 ARG 50 1.086 7.192 1.439 382 H ILE 51 H ILE 51 2.302 -0.241 1.493 383 HA ILE 51 HA ILE 51 3.120 -0.423 -1.331 384 HB ILE 51 HB ILE 51 0.748 -1.821 -0.110 385 HG12 ILE 51 1HG1 ILE 51 2.924 -3.608 -0.664 386 HG13 ILE 51 2HG1 ILE 51 3.481 -2.343 0.426 387 HG21 ILE 51 1HG2 ILE 51 0.821 -1.526 -2.568 388 HG22 ILE 51 2HG2 ILE 51 2.341 -2.419 -2.597 389 HG23 ILE 51 3HG2 ILE 51 0.861 -3.217 -2.070 390 HD11 ILE 51 1HD1 ILE 51 0.927 -3.283 1.288 391 HD12 ILE 51 2HD1 ILE 51 2.022 -4.647 1.058 392 HD13 ILE 51 3HD1 ILE 51 2.477 -3.322 2.129 393 H ASN 52 H ASN 52 2.491 1.348 -2.388 394 HA ASN 52 HA ASN 52 -0.040 2.633 -1.690 395 HB2 ASN 52 1HB ASN 52 2.397 3.479 -3.214 396 HB3 ASN 52 2HB ASN 52 0.869 4.310 -3.494 397 HD21 ASN 52 2HD2 ASN 52 0.773 6.126 -2.409 398 HD22 ASN 52 1HD2 ASN 52 1.363 6.394 -0.807 399 H PHE 53 H PHE 53 -1.799 2.617 -2.967 400 HA PHE 53 HA PHE 53 -1.602 1.136 -5.502 401 HB2 PHE 53 1HB PHE 53 -4.031 1.595 -3.757 402 HB3 PHE 53 2HB PHE 53 -3.981 0.624 -5.225 403 HD1 PHE 53 1HD PHE 53 -2.121 0.882 -1.997 404 HD2 PHE 53 2HD PHE 53 -3.875 -1.642 -4.940 405 HE1 PHE 53 1HE PHE 53 -1.509 -1.092 -0.662 406 HE2 PHE 53 2HE PHE 53 -3.266 -3.621 -3.609 407 HZ PHE 53 HZ PHE 53 -2.083 -3.347 -1.468 408 H SER 54 H SER 54 -3.711 1.793 -6.894 409 HA SER 54 HA SER 54 -3.347 4.653 -7.412 410 HB2 SER 54 1HB SER 54 -3.986 4.244 -9.638 411 HB3 SER 54 2HB SER 54 -3.039 2.820 -9.205 412 HG SER 54 HG SER 54 -4.799 1.615 -9.244 413 H ASN 55 H ASN 55 -5.725 2.317 -6.442 414 HA ASN 55 HA ASN 55 -7.698 4.487 -6.200 415 HB2 ASN 55 1HB ASN 55 -8.558 1.663 -6.747 416 HB3 ASN 55 2HB ASN 55 -9.445 3.161 -7.008 417 HD21 ASN 55 2HD2 ASN 55 -7.998 0.718 -8.554 418 HD22 ASN 55 1HD2 ASN 55 -7.541 1.504 -10.023 419 HA PRO 56 HA PRO 56 -7.934 3.294 -1.970 420 HB2 PRO 56 1HB PRO 56 -10.383 4.302 -1.373 421 HB3 PRO 56 2HB PRO 56 -8.958 5.319 -1.613 422 HG2 PRO 56 1HG PRO 56 -11.176 4.683 -3.521 423 HG3 PRO 56 2HG PRO 56 -10.386 6.239 -3.201 424 HD2 PRO 56 1HD PRO 56 -9.774 4.708 -5.349 425 HD3 PRO 56 2HD PRO 56 -8.577 5.738 -4.538 426 H LEU 57 H LEU 57 -9.683 1.866 -4.394 427 HA LEU 57 HA LEU 57 -11.496 0.345 -2.727 428 HB2 LEU 57 1HB LEU 57 -10.824 0.044 -5.650 429 HB3 LEU 57 2HB LEU 57 -12.142 -0.763 -4.803 430 HG LEU 57 HG LEU 57 -12.460 2.029 -4.421 431 HD11 LEU 57 1HD1 LEU 57 -12.279 3.024 -6.456 432 HD12 LEU 57 2HD1 LEU 57 -12.514 1.519 -7.342 433 HD13 LEU 57 3HD1 LEU 57 -10.956 1.868 -6.597 434 HD21 LEU 57 1HD2 LEU 57 -14.568 1.636 -5.562 435 HD22 LEU 57 2HD2 LEU 57 -14.223 0.321 -4.438 436 HD23 LEU 57 3HD2 LEU 57 -13.973 0.091 -6.170 437 H SER 58 H SER 58 -9.001 -0.649 -5.077 438 HA SER 58 HA SER 58 -8.716 -3.263 -4.379 439 HB2 SER 58 1HB SER 58 -7.339 -1.554 -6.015 440 HB3 SER 58 2HB SER 58 -6.122 -1.932 -4.796 441 HG SER 58 HG SER 58 -5.864 -3.687 -5.919 442 H ALA 59 H ALA 59 -7.028 -0.523 -2.867 443 HA ALA 59 HA ALA 59 -5.372 -1.724 -1.099 444 HB1 ALA 59 1HB ALA 59 -5.543 0.186 0.300 445 HB2 ALA 59 2HB ALA 59 -5.794 0.742 -1.355 446 HB3 ALA 59 3HB ALA 59 -7.172 0.543 -0.275 447 H ALA 60 H ALA 60 -8.877 -1.513 -0.839 448 HA ALA 60 HA ALA 60 -9.059 -2.537 1.805 449 HB1 ALA 60 1HB ALA 60 -11.445 -3.166 0.506 450 HB2 ALA 60 2HB ALA 60 -11.106 -1.737 1.483 451 HB3 ALA 60 3HB ALA 60 -10.874 -1.686 -0.265 452 H ASP 61 H ASP 61 -9.744 -4.061 -1.350 453 HA ASP 61 HA ASP 61 -10.176 -6.644 -0.388 454 HB2 ASP 61 1HB ASP 61 -9.892 -5.373 -2.944 455 HB3 ASP 61 2HB ASP 61 -8.967 -6.872 -2.939 456 H ALA 62 H ALA 62 -7.221 -4.913 -1.015 457 HA ALA 62 HA ALA 62 -5.457 -7.114 -1.122 458 HB1 ALA 62 1HB ALA 62 -4.644 -5.055 -1.927 459 HB2 ALA 62 2HB ALA 62 -5.050 -4.217 -0.429 460 HB3 ALA 62 3HB ALA 62 -3.727 -5.383 -0.457 461 H ARG 63 H ARG 63 -7.067 -5.538 1.495 462 HA ARG 63 HA ARG 63 -5.278 -6.581 3.521 463 HB2 ARG 63 1HB ARG 63 -6.418 -4.377 3.765 464 HB3 ARG 63 2HB ARG 63 -7.957 -5.222 3.857 465 HG2 ARG 63 1HG ARG 63 -7.007 -6.459 5.848 466 HG3 ARG 63 2HG ARG 63 -5.682 -5.294 5.815 467 HD2 ARG 63 1HD ARG 63 -7.196 -4.391 7.347 468 HD3 ARG 63 2HD ARG 63 -7.511 -3.502 5.858 469 HE ARG 63 HE ARG 63 -9.237 -5.670 5.881 470 HH11 ARG 63 2HH1 ARG 63 -8.640 -2.825 7.796 471 HH12 ARG 63 1HH1 ARG 63 -10.286 -2.673 8.318 472 HH21 ARG 63 2HH2 ARG 63 -11.406 -5.480 6.561 473 HH22 ARG 63 1HH2 ARG 63 -11.857 -4.184 7.615 474 H LEU 64 H LEU 64 -8.497 -7.256 2.247 475 HA LEU 64 HA LEU 64 -9.200 -9.222 4.156 476 HB2 LEU 64 1HB LEU 64 -11.112 -9.464 2.972 477 HB3 LEU 64 2HB LEU 64 -10.583 -7.922 2.304 478 HG LEU 64 HG LEU 64 -9.494 -9.369 0.453 479 HD11 LEU 64 1HD1 LEU 64 -11.668 -11.304 0.885 480 HD12 LEU 64 2HD1 LEU 64 -10.295 -11.439 1.983 481 HD13 LEU 64 3HD1 LEU 64 -10.044 -11.540 0.240 482 HD21 LEU 64 1HD2 LEU 64 -11.733 -7.920 0.555 483 HD22 LEU 64 2HD2 LEU 64 -12.444 -9.505 0.252 484 HD23 LEU 64 3HD2 LEU 64 -11.257 -8.841 -0.871 485 H ARG 65 H ARG 65 -7.598 -9.374 1.014 486 HA ARG 65 HA ARG 65 -7.466 -12.250 1.019 487 HB2 ARG 65 1HB ARG 65 -6.462 -10.071 -0.766 488 HB3 ARG 65 2HB ARG 65 -5.764 -11.678 -0.907 489 HG2 ARG 65 1HG ARG 65 -8.419 -12.247 -0.921 490 HG3 ARG 65 2HG ARG 65 -8.387 -10.683 -1.735 491 HD2 ARG 65 1HD ARG 65 -7.353 -11.511 -3.555 492 HD3 ARG 65 2HD ARG 65 -6.311 -12.569 -2.603 493 HE ARG 65 HE ARG 65 -8.908 -13.594 -2.515 494 HH11 ARG 65 2HH1 ARG 65 -6.347 -13.076 -4.816 495 HH12 ARG 65 1HH1 ARG 65 -6.804 -14.412 -5.822 496 HH21 ARG 65 2HH2 ARG 65 -9.519 -15.356 -3.830 497 HH22 ARG 65 1HH2 ARG 65 -8.608 -15.707 -5.260 498 H LEU 66 H LEU 66 -5.776 -9.834 2.595 499 HA LEU 66 HA LEU 66 -3.524 -11.661 3.083 500 HB2 LEU 66 1HB LEU 66 -3.209 -8.676 3.007 501 HB3 LEU 66 2HB LEU 66 -1.949 -9.908 3.027 502 HG LEU 66 HG LEU 66 -3.814 -9.407 0.711 503 HD11 LEU 66 1HD1 LEU 66 -0.963 -8.529 1.143 504 HD12 LEU 66 2HD1 LEU 66 -2.380 -7.485 1.038 505 HD13 LEU 66 3HD1 LEU 66 -1.852 -8.398 -0.375 506 HD21 LEU 66 1HD2 LEU 66 -2.221 -11.614 1.345 507 HD22 LEU 66 2HD2 LEU 66 -1.324 -10.719 0.119 508 HD23 LEU 66 3HD2 LEU 66 -2.975 -11.247 -0.207 509 H HIS 67 H HIS 67 -2.336 -9.603 4.862 510 HA HIS 67 HA HIS 67 -2.544 -8.740 6.986 511 HB2 HIS 67 1HB HIS 67 -5.075 -8.518 6.250 512 HB3 HIS 67 2HB HIS 67 -5.285 -9.872 7.356 513 HD1 HIS 67 1HD HIS 67 -2.636 -7.813 8.628 514 HD2 HIS 67 2HD HIS 67 -6.787 -7.669 8.709 515 HE1 HIS 67 1HE HIS 67 -3.218 -6.252 10.513 516 H LYS 68 H LYS 68 -4.241 -10.192 9.002 517 HA LYS 68 HA LYS 68 -2.511 -11.750 10.287 518 HB2 LYS 68 1HB LYS 68 -5.453 -12.298 9.894 519 HB3 LYS 68 2HB LYS 68 -4.460 -13.176 11.051 520 HG2 LYS 68 1HG LYS 68 -4.823 -11.590 12.545 521 HG3 LYS 68 2HG LYS 68 -4.018 -10.423 11.494 522 HD2 LYS 68 1HD LYS 68 -6.147 -9.512 11.883 523 HD3 LYS 68 2HD LYS 68 -6.254 -10.234 10.276 524 HE2 LYS 68 1HE LYS 68 -7.860 -11.633 10.926 525 HE3 LYS 68 2HE LYS 68 -6.933 -12.144 12.336 526 HZ1 LYS 68 1HZ LYS 68 -7.931 -10.605 13.668 527 HZ2 LYS 68 2HZ LYS 68 -9.204 -10.909 12.598 528 HZ3 LYS 68 3HZ LYS 68 -8.249 -9.526 12.404 529 H THR 69 H THR 69 -4.235 -12.698 7.387 530 HA THR 69 HA THR 69 -4.062 -15.341 7.156 531 HB THR 69 HB THR 69 -3.515 -15.137 4.780 532 HG1 THR 69 1HG THR 69 -1.871 -13.538 4.964 533 HG21 THR 69 1HG2 THR 69 -5.668 -14.550 4.661 534 HG22 THR 69 2HG2 THR 69 -5.123 -12.874 4.587 535 HG23 THR 69 3HG2 THR 69 -5.556 -13.594 6.138 536 H GLU 70 H GLU 70 -2.598 -16.939 7.209 537 HA GLU 70 HA GLU 70 0.048 -16.426 8.073 538 HB2 GLU 70 1HB GLU 70 -1.606 -18.782 7.498 539 HB3 GLU 70 2HB GLU 70 0.109 -19.022 7.192 540 HG2 GLU 70 1HG GLU 70 0.634 -18.363 9.463 541 HG3 GLU 70 2HG GLU 70 -1.068 -18.036 9.781 542 H PHE 71 H PHE 71 1.135 -15.162 6.590 543 HA PHE 71 HA PHE 71 1.297 -15.912 3.816 544 HB2 PHE 71 1HB PHE 71 1.399 -13.585 4.201 545 HB3 PHE 71 2HB PHE 71 2.595 -13.765 5.481 546 HD1 PHE 71 2HD PHE 71 4.939 -14.218 4.936 547 HD2 PHE 71 1HD PHE 71 2.036 -13.516 1.903 548 HE1 PHE 71 2HE PHE 71 6.740 -13.814 3.310 549 HE2 PHE 71 1HE PHE 71 3.833 -13.112 0.271 550 HZ PHE 71 HZ PHE 71 6.189 -13.259 0.974 551 H LEU 72 H LEU 72 2.434 -17.653 3.260 552 HA LEU 72 HA LEU 72 4.149 -19.126 3.024 553 HB2 LEU 72 1HB LEU 72 5.774 -16.869 4.189 554 HB3 LEU 72 2HB LEU 72 6.432 -18.304 3.404 555 HG LEU 72 HG LEU 72 4.855 -16.079 2.121 556 HD11 LEU 72 1HD1 LEU 72 7.497 -16.167 2.675 557 HD12 LEU 72 2HD1 LEU 72 6.800 -15.312 1.299 558 HD13 LEU 72 3HD1 LEU 72 7.470 -16.930 1.084 559 HD21 LEU 72 1HD2 LEU 72 4.113 -17.645 0.709 560 HD22 LEU 72 2HD2 LEU 72 5.248 -18.855 1.307 561 HD23 LEU 72 3HD2 LEU 72 5.767 -17.681 0.097 562 H GLY 73 H GLY 73 2.639 -18.796 5.624 563 HA2 GLY 73 1HA GLY 73 2.728 -20.519 7.308 564 HA3 GLY 73 2HA GLY 73 4.482 -20.438 7.234 565 H LYS 74 H LYS 74 4.355 -17.450 7.196 566 HA LYS 74 HA LYS 74 4.004 -17.112 10.091 567 HB2 LYS 74 1HB LYS 74 5.528 -15.393 8.126 568 HB3 LYS 74 2HB LYS 74 5.478 -15.167 9.869 569 HG2 LYS 74 1HG LYS 74 6.365 -17.816 8.917 570 HG3 LYS 74 2HG LYS 74 7.449 -16.458 8.604 571 HD2 LYS 74 1HD LYS 74 6.899 -15.935 11.151 572 HD3 LYS 74 2HD LYS 74 6.611 -17.676 11.182 573 HE2 LYS 74 1HE LYS 74 8.829 -18.129 10.424 574 HE3 LYS 74 2HE LYS 74 9.125 -16.423 10.093 575 HZ1 LYS 74 1HZ LYS 74 9.703 -16.066 12.194 576 HZ2 LYS 74 2HZ LYS 74 9.749 -17.745 12.394 577 HZ3 LYS 74 3HZ LYS 74 8.353 -16.882 12.806 578 H GLU 75 H GLU 75 2.695 -15.557 10.945 579 HA GLU 75 HA GLU 75 0.623 -14.526 9.245 580 HB2 GLU 75 1HB GLU 75 -0.154 -15.185 11.350 581 HB3 GLU 75 2HB GLU 75 1.188 -14.421 12.190 582 HG2 GLU 75 1HG GLU 75 0.276 -12.270 11.905 583 HG3 GLU 75 2HG GLU 75 -0.892 -12.840 10.715 584 H MET 76 H MET 76 0.543 -12.604 8.287 585 HA MET 76 HA MET 76 2.505 -10.566 9.099 586 HB2 MET 76 1HB MET 76 3.066 -10.945 6.910 587 HB3 MET 76 2HB MET 76 1.433 -11.417 6.458 588 HG2 MET 76 1HG MET 76 0.750 -9.053 6.578 589 HG3 MET 76 2HG MET 76 2.418 -8.615 6.940 590 HE1 MET 76 1HE MET 76 1.264 -11.325 3.894 591 HE2 MET 76 2HE MET 76 0.034 -10.348 4.695 592 HE3 MET 76 3HE MET 76 0.541 -9.954 3.052 593 H LYS 77 H LYS 77 1.865 -8.398 9.245 594 HA LYS 77 HA LYS 77 -1.031 -8.033 9.614 595 HB2 LYS 77 1HB LYS 77 1.357 -7.044 11.041 596 HB3 LYS 77 2HB LYS 77 0.079 -5.858 10.808 597 HG2 LYS 77 1HG LYS 77 -1.059 -8.323 11.707 598 HG3 LYS 77 2HG LYS 77 0.257 -7.845 12.781 599 HD2 LYS 77 1HD LYS 77 -1.503 -5.639 12.008 600 HD3 LYS 77 2HD LYS 77 -2.316 -6.918 12.913 601 HE2 LYS 77 1HE LYS 77 -0.020 -6.623 14.340 602 HE3 LYS 77 2HE LYS 77 -0.292 -4.973 13.780 603 HZ1 LYS 77 1HZ LYS 77 -1.690 -6.464 15.776 604 HZ2 LYS 77 2HZ LYS 77 -2.747 -5.813 14.626 605 HZ3 LYS 77 3HZ LYS 77 -1.694 -4.798 15.478 606 H LEU 78 H LEU 78 -1.860 -5.823 9.147 607 HA LEU 78 HA LEU 78 -0.377 -4.296 7.173 608 HB2 LEU 78 1HB LEU 78 -2.801 -5.918 6.561 609 HB3 LEU 78 2HB LEU 78 -2.587 -4.367 5.751 610 HG LEU 78 HG LEU 78 -0.249 -6.139 5.631 611 HD11 LEU 78 1HD1 LEU 78 -1.775 -7.160 3.579 612 HD12 LEU 78 2HD1 LEU 78 -2.888 -7.142 4.946 613 HD13 LEU 78 3HD1 LEU 78 -1.349 -7.993 5.073 614 HD21 LEU 78 1HD2 LEU 78 -0.230 -5.377 3.327 615 HD22 LEU 78 2HD2 LEU 78 -0.432 -4.009 4.423 616 HD23 LEU 78 3HD2 LEU 78 -1.821 -4.642 3.537 617 H TYR 79 H TYR 79 -0.936 -2.170 7.134 618 HA TYR 79 HA TYR 79 -3.283 -1.366 8.722 619 HB2 TYR 79 1HB TYR 79 -0.459 -0.358 8.847 620 HB3 TYR 79 2HB TYR 79 -1.796 0.705 9.274 621 HD1 TYR 79 2HD TYR 79 -0.056 -2.426 10.168 622 HD2 TYR 79 1HD TYR 79 -2.947 0.464 11.345 623 HE1 TYR 79 2HE TYR 79 -0.089 -3.389 12.431 624 HE2 TYR 79 1HE TYR 79 -2.987 -0.490 13.612 625 HH TYR 79 HH TYR 79 -0.708 -2.390 14.846 626 H PHE 80 H PHE 80 -3.913 0.953 8.275 627 HA PHE 80 HA PHE 80 -3.932 1.345 5.382 628 HB2 PHE 80 1HB PHE 80 -5.763 1.932 7.585 629 HB3 PHE 80 2HB PHE 80 -5.583 3.278 6.463 630 HD1 PHE 80 1HD PHE 80 -5.468 -0.356 5.726 631 HD2 PHE 80 2HD PHE 80 -7.618 3.297 5.331 632 HE1 PHE 80 1HE PHE 80 -7.034 -1.448 4.173 633 HE2 PHE 80 2HE PHE 80 -9.187 2.210 3.779 634 HZ PHE 80 HZ PHE 80 -8.897 -0.166 3.198 635 H ALA 81 H ALA 81 -1.539 1.963 6.830 636 HA ALA 81 HA ALA 81 -0.023 3.638 7.212 637 HB1 ALA 81 1HB ALA 81 -0.746 5.431 5.134 638 HB2 ALA 81 2HB ALA 81 0.556 4.241 5.159 639 HB3 ALA 81 3HB ALA 81 -1.043 3.787 4.569 640 H GLN 82 H GLN 82 -0.829 4.437 9.186 641 HA GLN 82 HA GLN 82 -1.751 7.175 9.036 642 HB2 GLN 82 1HB GLN 82 -3.711 6.914 10.366 643 HB3 GLN 82 2HB GLN 82 -3.830 5.755 9.049 644 HG2 GLN 82 1HG GLN 82 -3.171 3.957 10.510 645 HG3 GLN 82 2HG GLN 82 -2.901 5.092 11.832 646 HE21 GLN 82 2HE2 GLN 82 -4.467 5.169 13.259 647 HE22 GLN 82 1HE2 GLN 82 -6.139 4.848 12.964 648 H THR 83 H THR 83 -1.266 8.378 10.865 649 HA THR 83 HA THR 83 0.960 7.763 12.326 650 HB THR 83 HB THR 83 0.347 9.999 12.455 651 HG1 THR 83 1HG THR 83 0.859 8.936 14.588 652 HG21 THR 83 1HG2 THR 83 -2.388 8.938 12.999 653 HG22 THR 83 2HG2 THR 83 -1.866 10.169 11.849 654 HG23 THR 83 3HG2 THR 83 -1.974 10.555 13.566 655 H LEU 84 H LEU 84 1.418 6.869 14.315 656 HA LEU 84 HA LEU 84 -0.147 4.717 15.181 657 HB2 LEU 84 1HB LEU 84 1.340 4.834 17.239 658 HB3 LEU 84 2HB LEU 84 2.130 4.610 15.680 659 HG LEU 84 HG LEU 84 1.903 7.399 16.616 660 HD11 LEU 84 1HD1 LEU 84 3.188 5.288 18.218 661 HD12 LEU 84 2HD1 LEU 84 2.592 6.877 18.696 662 HD13 LEU 84 3HD1 LEU 84 4.164 6.725 17.913 663 HD21 LEU 84 1HD2 LEU 84 3.345 5.937 14.711 664 HD22 LEU 84 2HD2 LEU 84 4.525 6.453 15.916 665 HD23 LEU 84 3HD2 LEU 84 3.511 7.647 15.105 666 H HIS 85 H HIS 85 -2.189 5.070 15.848 667 HA HIS 85 HA HIS 85 -2.612 7.062 17.976 668 HB2 HIS 85 1HB HIS 85 -3.902 6.927 15.579 669 HB3 HIS 85 2HB HIS 85 -4.985 5.984 16.599 670 HD1 HIS 85 1HD HIS 85 -6.451 7.251 18.214 671 HD2 HIS 85 2HD HIS 85 -3.579 9.656 16.417 672 HE1 HIS 85 1HE HIS 85 -7.052 9.608 18.853 673 H ILE 86 H ILE 86 -1.893 5.507 19.552 674 HA ILE 86 HA ILE 86 -4.025 3.612 20.264 675 HB ILE 86 HB ILE 86 -1.068 3.032 20.468 676 HG12 ILE 86 1HG1 ILE 86 -1.866 1.088 18.911 677 HG13 ILE 86 2HG1 ILE 86 -3.214 2.164 18.559 678 HG21 ILE 86 1HG2 ILE 86 -3.454 1.807 21.665 679 HG22 ILE 86 2HG2 ILE 86 -2.328 0.678 20.913 680 HG23 ILE 86 3HG2 ILE 86 -1.769 1.763 22.186 681 HD11 ILE 86 1HD1 ILE 86 -1.883 2.919 16.934 682 HD12 ILE 86 2HD1 ILE 86 -1.101 3.831 18.226 683 HD13 ILE 86 3HD1 ILE 86 -0.424 2.291 17.698 684 H GLY 87 H GLY 87 -4.876 4.690 21.966 685 HA2 GLY 87 1HA GLY 87 -3.012 5.468 24.123 686 HA3 GLY 87 2HA GLY 87 -4.502 6.330 23.774 687 H SER 88 H SER 88 -3.349 4.731 26.143 688 HA SER 88 HA SER 88 -5.837 3.785 27.110 689 HB2 SER 88 1HB SER 88 -5.017 1.935 25.480 690 HB3 SER 88 2HB SER 88 -3.851 1.554 26.749 691 HG SER 88 HG SER 88 -6.666 1.671 27.104 692 H SER 89 H SER 89 -5.799 3.410 29.313 693 HA SER 89 HA SER 89 -3.350 4.252 30.650 694 HB2 SER 89 1HB SER 89 -6.238 4.104 31.422 695 HB3 SER 89 2HB SER 89 -5.015 4.102 32.692 696 HG SER 89 HG SER 89 -4.214 6.012 31.263 697 H HIS 90 H HIS 90 -2.081 2.948 31.820 698 HA HIS 90 HA HIS 90 -3.056 0.456 32.907 699 HB2 HIS 90 1HB HIS 90 -1.742 0.501 30.361 700 HB3 HIS 90 2HB HIS 90 -0.701 -0.310 31.528 701 HD1 HIS 90 1HD HIS 90 -2.726 -1.384 29.071 702 HD2 HIS 90 2HD HIS 90 -2.912 -2.024 33.172 703 HE1 HIS 90 1HE HIS 90 -4.073 -3.488 29.363 704 H LEU 91 H LEU 91 -1.301 -0.696 34.128 705 HA LEU 91 HA LEU 91 1.006 0.892 34.854 706 HB2 LEU 91 1HB LEU 91 -1.404 0.691 36.532 707 HB3 LEU 91 2HB LEU 91 0.122 0.391 37.361 708 HG LEU 91 HG LEU 91 0.665 2.704 36.017 709 HD11 LEU 91 1HD1 LEU 91 -1.940 3.420 37.168 710 HD12 LEU 91 2HD1 LEU 91 -2.010 2.515 35.657 711 HD13 LEU 91 3HD1 LEU 91 -1.119 4.035 35.733 712 HD21 LEU 91 1HD2 LEU 91 1.344 2.693 38.190 713 HD22 LEU 91 2HD2 LEU 91 -0.170 2.003 38.778 714 HD23 LEU 91 3HD2 LEU 91 -0.086 3.712 38.352 715 H ALA 92 H ALA 92 -0.981 -1.817 36.058 716 HA ALA 92 HA ALA 92 -0.430 -3.924 36.729 717 HB1 ALA 92 1HB ALA 92 1.225 -5.105 35.311 718 HB2 ALA 92 2HB ALA 92 -0.003 -4.242 34.383 719 HB3 ALA 92 3HB ALA 92 1.617 -3.564 34.545 720 HA PRO 93 HA PRO 93 2.985 -2.358 39.450 721 HB2 PRO 93 1HB PRO 93 1.706 -2.937 41.775 722 HB3 PRO 93 2HB PRO 93 1.476 -1.415 40.905 723 HG2 PRO 93 1HG PRO 93 -0.241 -3.867 40.919 724 HG3 PRO 93 2HG PRO 93 -0.724 -2.163 41.002 725 HD2 PRO 93 1HD PRO 93 -0.851 -3.603 38.713 726 HD3 PRO 93 2HD PRO 93 -0.509 -1.861 38.728 727 HA PRO 94 HA PRO 94 4.710 -6.347 40.167 728 HB2 PRO 94 1HB PRO 94 6.410 -5.779 42.207 729 HB3 PRO 94 2HB PRO 94 6.704 -5.269 40.540 730 HG2 PRO 94 1HG PRO 94 5.580 -3.703 42.830 731 HG3 PRO 94 2HG PRO 94 6.772 -3.207 41.613 732 HD2 PRO 94 1HD PRO 94 4.162 -2.499 41.469 733 HD3 PRO 94 2HD PRO 94 5.157 -2.775 40.025 734 H ASN 95 H ASN 95 4.381 -8.142 41.406 735 HA ASN 95 HA ASN 95 2.303 -8.161 43.287 736 HB2 ASN 95 1HB ASN 95 2.988 -10.503 43.723 737 HB3 ASN 95 2HB ASN 95 2.871 -10.146 42.002 738 HD21 ASN 95 2HD2 ASN 95 4.552 -11.920 43.981 739 HD22 ASN 95 1HD2 ASN 95 6.134 -11.822 43.293 740 HA PRO 96 HA PRO 96 4.272 -6.968 47.039 741 HB2 PRO 96 1HB PRO 96 2.585 -8.151 48.807 742 HB3 PRO 96 2HB PRO 96 2.154 -6.703 47.889 743 HG2 PRO 96 1HG PRO 96 1.441 -9.562 47.359 744 HG3 PRO 96 2HG PRO 96 0.420 -8.116 47.253 745 HD2 PRO 96 1HD PRO 96 1.521 -9.285 45.073 746 HD3 PRO 96 2HD PRO 96 1.241 -7.535 45.179 747 H ASP 97 H ASP 97 6.234 -8.066 47.017 748 HA ASP 97 HA ASP 97 6.381 -10.347 48.787 749 HB2 ASP 97 1HB ASP 97 7.301 -11.909 47.319 750 HB3 ASP 97 2HB ASP 97 6.030 -11.170 46.348 751 H LYS 98 H LYS 98 7.922 -9.798 50.163 752 HA LYS 98 HA LYS 98 10.538 -9.033 49.231 753 HB2 LYS 98 1HB LYS 98 8.830 -6.948 49.604 754 HB3 LYS 98 2HB LYS 98 9.534 -7.088 51.209 755 HG2 LYS 98 1HG LYS 98 11.773 -7.195 49.757 756 HG3 LYS 98 2HG LYS 98 10.765 -6.247 48.661 757 HD2 LYS 98 1HD LYS 98 10.232 -4.998 50.986 758 HD3 LYS 98 2HD LYS 98 11.879 -5.549 51.305 759 HE2 LYS 98 1HE LYS 98 12.782 -4.228 49.672 760 HE3 LYS 98 2HE LYS 98 11.319 -4.255 48.689 761 HZ1 LYS 98 1HZ LYS 98 11.095 -2.921 51.258 762 HZ2 LYS 98 2HZ LYS 98 10.469 -2.480 49.750 763 HZ3 LYS 98 3HZ LYS 98 12.086 -2.153 50.121 764 H SER 99 H SER 99 12.144 -9.277 50.802 765 HA SER 99 HA SER 99 11.619 -9.696 53.551 766 HB2 SER 99 1HB SER 99 10.634 -11.784 52.958 767 HB3 SER 99 2HB SER 99 11.929 -12.153 51.819 768 HG SER 99 HG SER 99 12.029 -13.219 53.937 769 H GLY 100 H GLY 100 13.519 -10.028 54.771 770 HA2 GLY 100 1HA GLY 100 15.778 -8.766 54.164 771 HA3 GLY 100 2HA GLY 100 15.817 -10.240 55.121 772 HA PRO 101 HA PRO 101 17.027 -11.112 50.471 773 HB2 PRO 101 1HB PRO 101 18.470 -9.071 49.410 774 HB3 PRO 101 2HB PRO 101 16.717 -9.208 49.224 775 HG2 PRO 101 1HG PRO 101 18.295 -7.537 51.142 776 HG3 PRO 101 2HG PRO 101 16.859 -7.101 50.197 777 HD2 PRO 101 1HD PRO 101 16.730 -7.766 52.819 778 HD3 PRO 101 2HD PRO 101 15.419 -8.125 51.677 779 H SER 102 H SER 102 18.967 -12.089 49.953 780 HA SER 102 HA SER 102 21.425 -11.241 51.234 781 HB2 SER 102 1HB SER 102 20.062 -13.848 51.914 782 HB3 SER 102 2HB SER 102 21.789 -13.589 52.161 783 HG SER 102 HG SER 102 20.880 -11.564 53.303 784 H SER 103 H SER 103 23.102 -13.218 50.760 785 HA SER 103 HA SER 103 23.488 -13.168 47.978 786 HB2 SER 103 1HB SER 103 25.096 -13.714 50.074 787 HB3 SER 103 2HB SER 103 24.787 -15.355 49.506 788 HG SER 103 HG SER 103 26.470 -14.747 48.299 789 H GLY 104 H GLY 104 23.487 -14.908 46.453 790 HA2 GLY 104 1HA GLY 104 21.119 -16.456 46.516 791 HA3 GLY 104 2HA GLY 104 22.410 -16.599 45.332 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -6.811 15.460 -9.451 2 HA2 GLY 1 1HA GLY 1 -4.205 16.154 -10.438 3 HA3 GLY 1 2HA GLY 1 -4.724 17.192 -9.118 4 H SER 2 H SER 2 -5.137 13.706 -9.709 5 HA SER 2 HA SER 2 -4.626 11.884 -8.448 6 HB2 SER 2 1HB SER 2 -2.321 13.507 -8.434 7 HB3 SER 2 2HB SER 2 -2.535 12.952 -6.773 8 HG SER 2 HG SER 2 -2.717 11.165 -8.950 9 H SER 3 H SER 3 -6.257 11.478 -7.087 10 HA SER 3 HA SER 3 -6.227 12.842 -4.476 11 HB2 SER 3 1HB SER 3 -8.348 12.710 -6.435 12 HB3 SER 3 2HB SER 3 -8.858 11.960 -4.922 13 HG SER 3 HG SER 3 -7.514 14.392 -4.751 14 H GLY 4 H GLY 4 -6.346 11.575 -2.700 15 HA2 GLY 4 1HA GLY 4 -6.739 9.673 -1.419 16 HA3 GLY 4 2HA GLY 4 -7.308 8.849 -2.864 17 H SER 5 H SER 5 -4.966 8.820 -0.582 18 HA SER 5 HA SER 5 -2.667 8.232 -2.185 19 HB2 SER 5 1HB SER 5 -3.292 7.918 0.749 20 HB3 SER 5 2HB SER 5 -1.771 7.358 0.056 21 HG SER 5 HG SER 5 -1.846 9.690 -0.854 22 H SER 6 H SER 6 -4.971 6.278 -0.318 23 HA SER 6 HA SER 6 -5.474 4.060 -0.351 24 HB2 SER 6 1HB SER 6 -4.366 3.918 -3.144 25 HB3 SER 6 2HB SER 6 -5.746 3.059 -2.459 26 HG SER 6 HG SER 6 -6.541 4.700 -3.726 27 H GLY 7 H GLY 7 -3.202 4.461 0.973 28 HA2 GLY 7 1HA GLY 7 -1.311 2.443 -0.059 29 HA3 GLY 7 2HA GLY 7 -0.874 3.752 1.029 30 H LEU 8 H LEU 8 -0.343 0.970 1.427 31 HA LEU 8 HA LEU 8 -1.731 0.628 3.983 32 HB2 LEU 8 1HB LEU 8 -1.403 -1.517 1.891 33 HB3 LEU 8 2HB LEU 8 -1.924 -1.808 3.549 34 HG LEU 8 HG LEU 8 -3.469 0.061 1.795 35 HD11 LEU 8 1HD1 LEU 8 -4.600 -1.597 0.704 36 HD12 LEU 8 2HD1 LEU 8 -4.233 -2.810 1.930 37 HD13 LEU 8 3HD1 LEU 8 -2.992 -2.318 0.778 38 HD21 LEU 8 1HD2 LEU 8 -4.670 -1.822 3.746 39 HD22 LEU 8 2HD2 LEU 8 -5.120 -0.165 3.342 40 HD23 LEU 8 3HD2 LEU 8 -3.731 -0.472 4.385 41 H ILE 9 H ILE 9 -0.437 -0.026 5.608 42 HA ILE 9 HA ILE 9 2.386 -0.450 4.974 43 HB ILE 9 HB ILE 9 1.109 0.005 7.673 44 HG12 ILE 9 1HG1 ILE 9 0.953 1.878 5.896 45 HG13 ILE 9 2HG1 ILE 9 1.591 2.290 7.484 46 HG21 ILE 9 1HG2 ILE 9 3.373 0.480 8.425 47 HG22 ILE 9 2HG2 ILE 9 3.269 -1.146 7.752 48 HG23 ILE 9 3HG2 ILE 9 3.993 0.155 6.807 49 HD11 ILE 9 1HD1 ILE 9 3.705 2.615 6.698 50 HD12 ILE 9 2HD1 ILE 9 3.500 1.490 5.356 51 HD13 ILE 9 3HD1 ILE 9 2.768 3.092 5.283 52 H ALA 10 H ALA 10 2.662 -2.562 4.456 53 HA ALA 10 HA ALA 10 1.401 -4.660 6.001 54 HB1 ALA 10 1HB ALA 10 3.524 -5.346 4.067 55 HB2 ALA 10 2HB ALA 10 1.922 -6.050 4.296 56 HB3 ALA 10 3HB ALA 10 2.101 -4.533 3.414 57 H CYS 11 H CYS 11 2.215 -5.379 7.847 58 HA CYS 11 HA CYS 11 5.026 -4.911 8.469 59 HB2 CYS 11 1HB CYS 11 3.480 -4.248 10.189 60 HB3 CYS 11 2HB CYS 11 2.694 -5.822 10.160 61 HG CYS 11 HG CYS 11 4.550 -5.100 12.418 62 H VAL 12 H VAL 12 6.381 -6.428 7.765 63 HA VAL 12 HA VAL 12 5.558 -9.250 7.943 64 HB VAL 12 HB VAL 12 7.881 -9.230 6.459 65 HG11 VAL 12 1HG1 VAL 12 6.257 -10.625 5.671 66 HG12 VAL 12 2HG1 VAL 12 4.977 -9.427 5.864 67 HG13 VAL 12 3HG1 VAL 12 6.096 -9.312 4.505 68 HG21 VAL 12 1HG2 VAL 12 6.225 -6.828 5.694 69 HG22 VAL 12 2HG2 VAL 12 7.881 -6.810 6.299 70 HG23 VAL 12 3HG2 VAL 12 7.526 -7.516 4.724 71 H ALA 13 H ALA 13 7.010 -10.794 8.772 72 HA ALA 13 HA ALA 13 9.065 -9.658 10.552 73 HB1 ALA 13 1HB ALA 13 8.750 -11.729 11.903 74 HB2 ALA 13 2HB ALA 13 7.323 -10.695 11.824 75 HB3 ALA 13 3HB ALA 13 7.407 -12.157 10.843 76 H ASN 14 H ASN 14 8.821 -11.125 7.669 77 HA ASN 14 HA ASN 14 11.079 -12.952 8.049 78 HB2 ASN 14 1HB ASN 14 9.054 -12.574 5.859 79 HB3 ASN 14 2HB ASN 14 10.554 -13.445 5.553 80 HD21 ASN 14 2HD2 ASN 14 7.509 -14.034 5.988 81 HD22 ASN 14 1HD2 ASN 14 7.551 -15.468 6.951 82 H ASP 15 H ASP 15 12.911 -11.760 8.119 83 HA ASP 15 HA ASP 15 13.475 -9.388 6.829 84 HB2 ASP 15 1HB ASP 15 15.927 -10.263 6.948 85 HB3 ASP 15 2HB ASP 15 15.036 -9.994 8.444 86 H ASP 16 H ASP 16 13.642 -12.666 5.595 87 HA ASP 16 HA ASP 16 15.142 -12.253 3.289 88 HB2 ASP 16 1HB ASP 16 12.809 -14.137 3.695 89 HB3 ASP 16 2HB ASP 16 13.985 -14.241 2.388 90 H VAL 17 H VAL 17 11.770 -11.569 3.959 91 HA VAL 17 HA VAL 17 10.832 -11.169 1.362 92 HB VAL 17 HB VAL 17 10.001 -9.681 3.857 93 HG11 VAL 17 1HG1 VAL 17 9.215 -8.572 1.850 94 HG12 VAL 17 2HG1 VAL 17 8.574 -10.095 1.232 95 HG13 VAL 17 3HG1 VAL 17 7.868 -9.359 2.671 96 HG21 VAL 17 1HG2 VAL 17 9.899 -12.171 4.009 97 HG22 VAL 17 2HG2 VAL 17 8.334 -11.372 4.164 98 HG23 VAL 17 3HG2 VAL 17 8.778 -12.156 2.647 99 H PHE 18 H PHE 18 13.060 -9.339 3.197 100 HA PHE 18 HA PHE 18 12.653 -6.907 1.648 101 HB2 PHE 18 1HB PHE 18 14.636 -7.544 3.843 102 HB3 PHE 18 2HB PHE 18 14.430 -5.966 3.090 103 HD1 PHE 18 2HD PHE 18 12.507 -8.573 4.924 104 HD2 PHE 18 1HD PHE 18 12.990 -4.437 4.041 105 HE1 PHE 18 2HE PHE 18 10.764 -8.020 6.571 106 HE2 PHE 18 1HE PHE 18 11.249 -3.878 5.686 107 HZ PHE 18 HZ PHE 18 10.133 -5.670 6.954 108 H SER 19 H SER 19 14.817 -9.628 1.849 109 HA SER 19 HA SER 19 16.963 -8.545 0.358 110 HB2 SER 19 1HB SER 19 16.080 -11.318 1.080 111 HB3 SER 19 2HB SER 19 17.359 -11.100 -0.114 112 HG SER 19 HG SER 19 17.470 -9.766 2.364 113 H GLU 20 H GLU 20 17.599 -9.122 -1.821 114 HA GLU 20 HA GLU 20 15.359 -8.942 -3.644 115 HB2 GLU 20 1HB GLU 20 18.330 -8.673 -3.900 116 HB3 GLU 20 2HB GLU 20 17.357 -8.931 -5.341 117 HG2 GLU 20 1HG GLU 20 16.026 -6.911 -4.019 118 HG3 GLU 20 2HG GLU 20 17.728 -6.538 -3.752 119 H SER 21 H SER 21 17.023 -11.431 -2.217 120 HA SER 21 HA SER 21 17.693 -13.327 -3.986 121 HB2 SER 21 1HB SER 21 17.472 -13.563 -1.457 122 HB3 SER 21 2HB SER 21 15.784 -13.987 -1.741 123 HG SER 21 HG SER 21 18.099 -15.355 -2.625 124 H GLU 22 H GLU 22 14.340 -13.306 -2.781 125 HA GLU 22 HA GLU 22 13.098 -13.207 -5.294 126 HB2 GLU 22 1HB GLU 22 14.324 -15.635 -4.960 127 HB3 GLU 22 2HB GLU 22 12.701 -15.968 -4.373 128 HG2 GLU 22 1HG GLU 22 13.493 -14.958 -7.089 129 HG3 GLU 22 2HG GLU 22 12.774 -16.515 -6.683 130 H THR 23 H THR 23 12.937 -14.601 -2.047 131 HA THR 23 HA THR 23 10.315 -14.965 -1.582 132 HB THR 23 HB THR 23 11.987 -13.357 0.348 133 HG1 THR 23 1HG THR 23 11.960 -16.183 -0.044 134 HG21 THR 23 1HG2 THR 23 10.253 -13.662 1.713 135 HG22 THR 23 2HG2 THR 23 10.483 -15.407 1.586 136 HG23 THR 23 3HG2 THR 23 9.404 -14.575 0.468 137 H ARG 24 H ARG 24 11.905 -11.844 -1.915 138 HA ARG 24 HA ARG 24 9.940 -10.134 -1.010 139 HB2 ARG 24 1HB ARG 24 12.085 -9.278 -1.667 140 HB3 ARG 24 2HB ARG 24 11.851 -9.818 -3.324 141 HG2 ARG 24 1HG ARG 24 9.696 -8.183 -2.942 142 HG3 ARG 24 2HG ARG 24 10.954 -7.382 -1.999 143 HD2 ARG 24 1HD ARG 24 11.612 -8.344 -4.738 144 HD3 ARG 24 2HD ARG 24 10.634 -6.887 -4.569 145 HE ARG 24 HE ARG 24 13.435 -7.158 -4.036 146 HH11 ARG 24 2HH1 ARG 24 10.549 -5.399 -3.203 147 HH12 ARG 24 1HH1 ARG 24 11.404 -3.987 -2.677 148 HH21 ARG 24 2HH2 ARG 24 14.573 -5.304 -3.348 149 HH22 ARG 24 1HH2 ARG 24 13.692 -3.933 -2.761 150 H ALA 25 H ALA 25 10.298 -11.482 -4.282 151 HA ALA 25 HA ALA 25 8.113 -10.247 -5.475 152 HB1 ALA 25 1HB ALA 25 9.839 -12.515 -6.060 153 HB2 ALA 25 2HB ALA 25 8.200 -12.718 -6.683 154 HB3 ALA 25 3HB ALA 25 9.149 -11.305 -7.144 155 H LYS 26 H LYS 26 8.274 -13.294 -3.670 156 HA LYS 26 HA LYS 26 5.700 -14.221 -4.067 157 HB2 LYS 26 1HB LYS 26 7.479 -14.411 -1.635 158 HB3 LYS 26 2HB LYS 26 5.960 -15.285 -1.788 159 HG2 LYS 26 1HG LYS 26 6.772 -16.608 -3.547 160 HG3 LYS 26 2HG LYS 26 8.153 -15.543 -3.819 161 HD2 LYS 26 1HD LYS 26 8.572 -16.234 -1.243 162 HD3 LYS 26 2HD LYS 26 7.772 -17.692 -1.835 163 HE2 LYS 26 1HE LYS 26 9.728 -16.789 -3.736 164 HE3 LYS 26 2HE LYS 26 10.465 -16.959 -2.143 165 HZ1 LYS 26 1HZ LYS 26 10.639 -19.030 -3.268 166 HZ2 LYS 26 2HZ LYS 26 8.996 -19.037 -3.667 167 HZ3 LYS 26 3HZ LYS 26 9.476 -19.220 -2.054 168 H PHE 27 H PHE 27 6.803 -11.558 -2.139 169 HA PHE 27 HA PHE 27 4.267 -11.312 -0.735 170 HB2 PHE 27 1HB PHE 27 6.086 -10.760 0.648 171 HB3 PHE 27 2HB PHE 27 6.881 -9.829 -0.618 172 HD1 PHE 27 1HD PHE 27 5.508 -7.739 -1.460 173 HD2 PHE 27 2HD PHE 27 5.001 -9.628 2.321 174 HE1 PHE 27 1HE PHE 27 4.515 -5.674 -0.565 175 HE2 PHE 27 2HE PHE 27 4.006 -7.565 3.222 176 HZ PHE 27 HZ PHE 27 3.761 -5.585 1.778 177 H GLU 28 H GLU 28 6.117 -9.645 -3.238 178 HA GLU 28 HA GLU 28 4.474 -7.402 -3.543 179 HB2 GLU 28 1HB GLU 28 6.576 -8.734 -5.089 180 HB3 GLU 28 2HB GLU 28 5.401 -7.891 -6.088 181 HG2 GLU 28 1HG GLU 28 5.790 -5.896 -4.538 182 HG3 GLU 28 2HG GLU 28 7.218 -6.771 -3.989 183 H SER 29 H SER 29 4.537 -10.304 -5.622 184 HA SER 29 HA SER 29 2.433 -9.876 -7.245 185 HB2 SER 29 1HB SER 29 3.841 -11.953 -7.172 186 HB3 SER 29 2HB SER 29 2.853 -12.514 -5.823 187 HG SER 29 HG SER 29 1.568 -11.696 -8.169 188 H LEU 30 H LEU 30 2.213 -10.945 -3.880 189 HA LEU 30 HA LEU 30 -0.381 -11.589 -3.547 190 HB2 LEU 30 1HB LEU 30 1.055 -9.653 -1.741 191 HB3 LEU 30 2HB LEU 30 -0.276 -10.723 -1.303 192 HG LEU 30 HG LEU 30 2.533 -11.556 -2.024 193 HD11 LEU 30 1HD1 LEU 30 2.674 -12.265 0.292 194 HD12 LEU 30 2HD1 LEU 30 1.032 -11.694 0.587 195 HD13 LEU 30 3HD1 LEU 30 2.308 -10.542 0.196 196 HD21 LEU 30 1HD2 LEU 30 0.301 -13.323 -1.056 197 HD22 LEU 30 2HD2 LEU 30 1.879 -13.798 -1.683 198 HD23 LEU 30 3HD2 LEU 30 0.672 -13.104 -2.767 199 H PHE 31 H PHE 31 0.838 -8.245 -3.622 200 HA PHE 31 HA PHE 31 -1.900 -7.247 -3.776 201 HB2 PHE 31 1HB PHE 31 0.621 -5.590 -3.754 202 HB3 PHE 31 2HB PHE 31 -1.010 -5.090 -3.318 203 HD1 PHE 31 2HD PHE 31 1.926 -7.025 -2.247 204 HD2 PHE 31 1HD PHE 31 -1.888 -5.491 -1.141 205 HE1 PHE 31 2HE PHE 31 2.402 -7.547 0.109 206 HE2 PHE 31 1HE PHE 31 -1.417 -6.009 1.217 207 HZ PHE 31 HZ PHE 31 0.730 -7.040 1.845 208 H ARG 32 H ARG 32 1.132 -7.105 -5.622 209 HA ARG 32 HA ARG 32 0.439 -5.530 -7.731 210 HB2 ARG 32 1HB ARG 32 2.590 -6.985 -7.227 211 HB3 ARG 32 2HB ARG 32 1.826 -8.101 -8.351 212 HG2 ARG 32 1HG ARG 32 2.368 -5.214 -8.991 213 HG3 ARG 32 2HG ARG 32 3.483 -6.529 -9.366 214 HD2 ARG 32 1HD ARG 32 1.384 -7.589 -10.506 215 HD3 ARG 32 2HD ARG 32 0.795 -5.927 -10.520 216 HE ARG 32 HE ARG 32 2.188 -5.544 -12.275 217 HH11 ARG 32 2HH1 ARG 32 3.477 -8.192 -10.417 218 HH12 ARG 32 1HH1 ARG 32 4.805 -8.473 -11.495 219 HH21 ARG 32 2HH2 ARG 32 3.932 -5.904 -13.701 220 HH22 ARG 32 1HH2 ARG 32 5.063 -7.169 -13.361 221 H THR 33 H THR 33 -0.688 -8.759 -7.049 222 HA THR 33 HA THR 33 -1.676 -9.558 -9.504 223 HB THR 33 HB THR 33 -1.701 -10.780 -7.200 224 HG1 THR 33 1HG THR 33 -3.621 -11.002 -9.274 225 HG21 THR 33 1HG2 THR 33 -3.196 -9.204 -6.070 226 HG22 THR 33 2HG2 THR 33 -3.909 -10.815 -6.138 227 HG23 THR 33 3HG2 THR 33 -4.464 -9.558 -7.244 228 H TYR 34 H TYR 34 -3.194 -7.463 -7.085 229 HA TYR 34 HA TYR 34 -5.622 -7.149 -8.559 230 HB2 TYR 34 1HB TYR 34 -4.565 -5.340 -6.384 231 HB3 TYR 34 2HB TYR 34 -6.239 -5.546 -6.884 232 HD1 TYR 34 2HD TYR 34 -7.420 -7.684 -6.370 233 HD2 TYR 34 1HD TYR 34 -3.561 -6.809 -4.808 234 HE1 TYR 34 2HE TYR 34 -7.719 -9.435 -4.669 235 HE2 TYR 34 1HE TYR 34 -3.848 -8.559 -3.103 236 HH TYR 34 HH TYR 34 -6.896 -10.302 -2.755 237 H ASP 35 H ASP 35 -3.202 -4.688 -7.668 238 HA ASP 35 HA ASP 35 -3.817 -3.301 -10.188 239 HB2 ASP 35 1HB ASP 35 -3.777 -2.334 -7.592 240 HB3 ASP 35 2HB ASP 35 -2.234 -1.799 -8.249 241 H LYS 36 H LYS 36 -2.216 -2.740 -11.605 242 HA LYS 36 HA LYS 36 0.332 -4.113 -11.247 243 HB2 LYS 36 1HB LYS 36 -0.912 -2.758 -13.644 244 HB3 LYS 36 2HB LYS 36 0.677 -3.510 -13.655 245 HG2 LYS 36 1HG LYS 36 -0.855 -5.528 -12.678 246 HG3 LYS 36 2HG LYS 36 -1.985 -4.723 -13.769 247 HD2 LYS 36 1HD LYS 36 0.510 -4.885 -15.098 248 HD3 LYS 36 2HD LYS 36 0.175 -6.473 -14.403 249 HE2 LYS 36 1HE LYS 36 -1.566 -6.849 -15.785 250 HE3 LYS 36 2HE LYS 36 -2.111 -5.175 -15.719 251 HZ1 LYS 36 1HZ LYS 36 0.382 -5.563 -17.120 252 HZ2 LYS 36 2HZ LYS 36 -0.974 -4.654 -17.557 253 HZ3 LYS 36 3HZ LYS 36 -0.943 -6.320 -17.850 254 H ASP 37 H ASP 37 -0.979 -1.004 -10.930 255 HA ASP 37 HA ASP 37 1.623 0.298 -11.297 256 HB2 ASP 37 1HB ASP 37 -1.050 1.100 -11.818 257 HB3 ASP 37 2HB ASP 37 -0.429 2.144 -10.542 258 H THR 38 H THR 38 0.857 -1.463 -9.012 259 HA THR 38 HA THR 38 0.654 0.318 -6.742 260 HB THR 38 HB THR 38 1.335 -2.160 -5.724 261 HG1 THR 38 1HG THR 38 -0.313 -3.426 -7.071 262 HG21 THR 38 1HG2 THR 38 -1.155 -2.391 -5.377 263 HG22 THR 38 2HG2 THR 38 -1.345 -0.930 -6.348 264 HG23 THR 38 3HG2 THR 38 -0.452 -0.870 -4.829 265 H THR 39 H THR 39 2.328 1.298 -5.837 266 HA THR 39 HA THR 39 5.034 0.415 -6.457 267 HB THR 39 HB THR 39 5.674 2.531 -5.190 268 HG1 THR 39 1HG THR 39 2.939 3.211 -5.540 269 HG21 THR 39 1HG2 THR 39 5.622 3.691 -7.137 270 HG22 THR 39 2HG2 THR 39 3.902 3.394 -7.392 271 HG23 THR 39 3HG2 THR 39 5.082 2.145 -7.788 272 H PHE 40 H PHE 40 6.420 -0.480 -5.034 273 HA PHE 40 HA PHE 40 5.434 -0.912 -2.294 274 HB2 PHE 40 1HB PHE 40 7.388 -2.608 -3.862 275 HB3 PHE 40 2HB PHE 40 6.760 -2.959 -2.255 276 HD1 PHE 40 2HD PHE 40 5.606 -2.347 -5.741 277 HD2 PHE 40 1HD PHE 40 4.917 -4.326 -2.037 278 HE1 PHE 40 2HE PHE 40 3.727 -3.573 -6.750 279 HE2 PHE 40 1HE PHE 40 3.037 -5.557 -3.040 280 HZ PHE 40 HZ PHE 40 2.439 -5.180 -5.399 281 H GLN 41 H GLN 41 6.627 -0.236 -0.614 282 HA GLN 41 HA GLN 41 9.386 0.642 -1.130 283 HB2 GLN 41 1HB GLN 41 7.114 2.226 -0.259 284 HB3 GLN 41 2HB GLN 41 8.436 2.298 0.899 285 HG2 GLN 41 1HG GLN 41 9.957 2.986 -0.893 286 HG3 GLN 41 2HG GLN 41 8.616 2.941 -2.035 287 HE21 GLN 41 2HE2 GLN 41 9.131 5.172 -2.436 288 HE22 GLN 41 1HE2 GLN 41 8.538 6.396 -1.370 289 H TYR 42 H TYR 42 10.570 -0.816 -0.060 290 HA TYR 42 HA TYR 42 9.674 -1.808 2.532 291 HB2 TYR 42 1HB TYR 42 12.030 -2.598 0.809 292 HB3 TYR 42 2HB TYR 42 11.594 -3.368 2.331 293 HD1 TYR 42 2HD TYR 42 10.509 -2.802 -1.155 294 HD2 TYR 42 1HD TYR 42 9.860 -4.991 2.435 295 HE1 TYR 42 2HE TYR 42 9.010 -4.332 -2.366 296 HE2 TYR 42 1HE TYR 42 8.359 -6.527 1.234 297 HH TYR 42 HH TYR 42 7.537 -6.006 -2.170 298 H PHE 43 H PHE 43 10.429 -1.082 4.407 299 HA PHE 43 HA PHE 43 12.787 0.680 4.365 300 HB2 PHE 43 1HB PHE 43 10.480 0.605 6.322 301 HB3 PHE 43 2HB PHE 43 11.867 1.684 6.430 302 HD1 PHE 43 1HD PHE 43 12.293 2.837 3.937 303 HD2 PHE 43 2HD PHE 43 8.575 1.669 5.649 304 HE1 PHE 43 1HE PHE 43 11.129 4.478 2.520 305 HE2 PHE 43 2HE PHE 43 7.404 3.306 4.233 306 HZ PHE 43 HZ PHE 43 8.682 4.713 2.667 307 H LYS 44 H LYS 44 14.429 -0.744 4.740 308 HA LYS 44 HA LYS 44 14.350 -2.910 6.527 309 HB2 LYS 44 1HB LYS 44 16.243 -1.720 4.773 310 HB3 LYS 44 2HB LYS 44 17.016 -1.894 6.343 311 HG2 LYS 44 1HG LYS 44 15.644 -4.113 4.839 312 HG3 LYS 44 2HG LYS 44 17.387 -3.829 4.875 313 HD2 LYS 44 1HD LYS 44 16.548 -3.855 7.555 314 HD3 LYS 44 2HD LYS 44 15.724 -5.207 6.773 315 HE2 LYS 44 1HE LYS 44 18.691 -4.666 6.680 316 HE3 LYS 44 2HE LYS 44 17.901 -5.859 7.708 317 HZ1 LYS 44 1HZ LYS 44 16.969 -6.678 5.423 318 HZ2 LYS 44 2HZ LYS 44 18.506 -7.150 5.947 319 HZ3 LYS 44 3HZ LYS 44 18.345 -5.906 4.812 320 H SER 45 H SER 45 14.519 0.428 7.106 321 HA SER 45 HA SER 45 15.970 0.309 9.582 322 HB2 SER 45 1HB SER 45 14.294 2.469 8.294 323 HB3 SER 45 2HB SER 45 15.111 2.677 9.842 324 HG SER 45 HG SER 45 16.782 3.194 8.689 325 H PHE 46 H PHE 46 12.556 0.646 8.670 326 HA PHE 46 HA PHE 46 11.816 0.122 11.467 327 HB2 PHE 46 1HB PHE 46 10.039 1.211 9.278 328 HB3 PHE 46 2HB PHE 46 9.693 1.155 11.003 329 HD1 PHE 46 2HD PHE 46 11.738 2.777 8.409 330 HD2 PHE 46 1HD PHE 46 10.496 2.828 12.478 331 HE1 PHE 46 2HE PHE 46 12.692 5.030 8.667 332 HE2 PHE 46 1HE PHE 46 11.447 5.082 12.744 333 HZ PHE 46 HZ PHE 46 12.547 6.185 10.838 334 H LYS 47 H LYS 47 12.522 -1.727 9.087 335 HA LYS 47 HA LYS 47 11.736 -3.646 8.096 336 HB2 LYS 47 1HB LYS 47 10.882 -3.902 10.977 337 HB3 LYS 47 2HB LYS 47 10.747 -5.226 9.828 338 HG2 LYS 47 1HG LYS 47 13.372 -3.855 10.185 339 HG3 LYS 47 2HG LYS 47 12.828 -5.034 11.381 340 HD2 LYS 47 1HD LYS 47 12.566 -5.871 8.569 341 HD3 LYS 47 2HD LYS 47 14.221 -5.663 9.147 342 HE2 LYS 47 1HE LYS 47 14.113 -7.606 10.216 343 HE3 LYS 47 2HE LYS 47 12.723 -7.041 11.141 344 HZ1 LYS 47 1HZ LYS 47 11.286 -7.756 9.322 345 HZ2 LYS 47 2HZ LYS 47 12.189 -9.049 9.933 346 HZ3 LYS 47 3HZ LYS 47 12.628 -8.330 8.467 347 H ARG 48 H ARG 48 9.922 -1.375 7.864 348 HA ARG 48 HA ARG 48 7.310 -2.722 7.900 349 HB2 ARG 48 1HB ARG 48 8.166 0.128 8.079 350 HB3 ARG 48 2HB ARG 48 6.614 -0.222 7.331 351 HG2 ARG 48 1HG ARG 48 5.955 -1.451 9.376 352 HG3 ARG 48 2HG ARG 48 7.478 -0.957 10.119 353 HD2 ARG 48 1HD ARG 48 6.844 1.256 10.261 354 HD3 ARG 48 2HD ARG 48 5.685 1.116 8.941 355 HE ARG 48 HE ARG 48 4.726 -0.484 10.972 356 HH11 ARG 48 2HH1 ARG 48 5.487 2.884 10.529 357 HH12 ARG 48 1HH1 ARG 48 4.295 3.437 11.656 358 HH21 ARG 48 2HH2 ARG 48 3.151 0.232 12.459 359 HH22 ARG 48 1HH2 ARG 48 2.967 1.927 12.755 360 H VAL 49 H VAL 49 5.843 -2.144 6.054 361 HA VAL 49 HA VAL 49 7.317 -1.793 3.534 362 HB VAL 49 HB VAL 49 5.083 -3.795 3.821 363 HG11 VAL 49 1HG1 VAL 49 5.662 -2.821 1.574 364 HG12 VAL 49 2HG1 VAL 49 7.239 -3.600 1.727 365 HG13 VAL 49 3HG1 VAL 49 5.771 -4.577 1.687 366 HG21 VAL 49 1HG2 VAL 49 6.869 -5.532 3.782 367 HG22 VAL 49 2HG2 VAL 49 8.056 -4.253 4.035 368 HG23 VAL 49 3HG2 VAL 49 6.834 -4.577 5.264 369 H ARG 50 H ARG 50 6.535 -0.051 2.563 370 HA ARG 50 HA ARG 50 3.737 0.702 2.996 371 HB2 ARG 50 1HB ARG 50 6.125 2.181 2.908 372 HB3 ARG 50 2HB ARG 50 5.250 2.606 1.444 373 HG2 ARG 50 1HG ARG 50 3.250 2.801 3.204 374 HG3 ARG 50 2HG ARG 50 4.609 3.164 4.269 375 HD2 ARG 50 1HD ARG 50 5.220 4.678 2.102 376 HD3 ARG 50 2HD ARG 50 3.457 4.728 2.064 377 HE ARG 50 HE ARG 50 4.048 5.288 4.647 378 HH11 ARG 50 2HH1 ARG 50 5.088 6.611 1.600 379 HH12 ARG 50 1HH1 ARG 50 5.343 8.204 2.230 380 HH21 ARG 50 2HH2 ARG 50 4.380 7.381 5.489 381 HH22 ARG 50 1HH2 ARG 50 4.941 8.641 4.443 382 H ILE 51 H ILE 51 2.315 0.091 1.514 383 HA ILE 51 HA ILE 51 3.216 -0.186 -1.278 384 HB ILE 51 HB ILE 51 0.884 -1.568 0.055 385 HG12 ILE 51 1HG1 ILE 51 2.907 -3.349 -0.917 386 HG13 ILE 51 2HG1 ILE 51 3.659 -2.161 0.141 387 HG21 ILE 51 1HG2 ILE 51 2.080 -2.204 -2.624 388 HG22 ILE 51 2HG2 ILE 51 0.533 -2.722 -1.957 389 HG23 ILE 51 3HG2 ILE 51 0.768 -1.042 -2.436 390 HD11 ILE 51 1HD1 ILE 51 3.066 -3.559 1.773 391 HD12 ILE 51 2HD1 ILE 51 1.456 -2.864 1.574 392 HD13 ILE 51 3HD1 ILE 51 1.869 -4.378 0.769 393 H ASN 52 H ASN 52 2.562 1.426 -2.526 394 HA ASN 52 HA ASN 52 0.096 2.858 -1.849 395 HB2 ASN 52 1HB ASN 52 2.573 3.811 -2.532 396 HB3 ASN 52 2HB ASN 52 1.722 3.887 -4.072 397 HD21 ASN 52 2HD2 ASN 52 2.191 5.322 -1.043 398 HD22 ASN 52 1HD2 ASN 52 0.992 6.559 -1.172 399 H PHE 53 H PHE 53 -1.700 2.372 -2.906 400 HA PHE 53 HA PHE 53 -1.534 0.920 -5.434 401 HB2 PHE 53 1HB PHE 53 -3.899 1.484 -3.633 402 HB3 PHE 53 2HB PHE 53 -3.951 0.505 -5.095 403 HD1 PHE 53 2HD PHE 53 -1.880 0.716 -1.993 404 HD2 PHE 53 1HD PHE 53 -3.949 -1.756 -4.774 405 HE1 PHE 53 2HE PHE 53 -1.267 -1.271 -0.679 406 HE2 PHE 53 1HE PHE 53 -3.340 -3.747 -3.462 407 HZ PHE 53 HZ PHE 53 -1.995 -3.507 -1.413 408 H SER 54 H SER 54 -3.299 1.482 -7.067 409 HA SER 54 HA SER 54 -3.080 4.330 -7.629 410 HB2 SER 54 1HB SER 54 -2.516 2.897 -9.469 411 HB3 SER 54 2HB SER 54 -4.014 1.984 -9.292 412 HG SER 54 HG SER 54 -3.600 4.092 -10.801 413 H ASN 55 H ASN 55 -5.277 2.246 -6.194 414 HA ASN 55 HA ASN 55 -7.342 4.287 -6.255 415 HB2 ASN 55 1HB ASN 55 -9.113 2.662 -6.870 416 HB3 ASN 55 2HB ASN 55 -7.958 2.927 -8.173 417 HD21 ASN 55 2HD2 ASN 55 -9.639 0.708 -8.013 418 HD22 ASN 55 1HD2 ASN 55 -8.666 -0.701 -7.788 419 HA PRO 56 HA PRO 56 -7.768 3.020 -2.063 420 HB2 PRO 56 1HB PRO 56 -10.245 4.005 -1.556 421 HB3 PRO 56 2HB PRO 56 -8.817 5.034 -1.715 422 HG2 PRO 56 1HG PRO 56 -10.945 4.420 -3.730 423 HG3 PRO 56 2HG PRO 56 -10.179 5.974 -3.350 424 HD2 PRO 56 1HD PRO 56 -9.465 4.483 -5.494 425 HD3 PRO 56 2HD PRO 56 -8.309 5.503 -4.614 426 H LEU 57 H LEU 57 -9.917 1.967 -4.546 427 HA LEU 57 HA LEU 57 -11.646 0.338 -3.029 428 HB2 LEU 57 1HB LEU 57 -10.772 0.286 -5.902 429 HB3 LEU 57 2HB LEU 57 -11.898 -0.902 -5.249 430 HG LEU 57 HG LEU 57 -12.699 1.847 -4.697 431 HD11 LEU 57 1HD1 LEU 57 -13.002 2.680 -6.800 432 HD12 LEU 57 2HD1 LEU 57 -13.010 1.085 -7.554 433 HD13 LEU 57 3HD1 LEU 57 -11.487 1.807 -7.036 434 HD21 LEU 57 1HD2 LEU 57 -14.230 -0.164 -6.290 435 HD22 LEU 57 2HD2 LEU 57 -14.812 1.022 -5.121 436 HD23 LEU 57 3HD2 LEU 57 -13.966 -0.425 -4.566 437 H SER 58 H SER 58 -8.930 -0.688 -5.107 438 HA SER 58 HA SER 58 -8.811 -3.323 -4.277 439 HB2 SER 58 1HB SER 58 -7.306 -1.674 -5.952 440 HB3 SER 58 2HB SER 58 -6.151 -2.254 -4.753 441 HG SER 58 HG SER 58 -7.282 -3.580 -6.810 442 H ALA 59 H ALA 59 -6.957 -0.562 -3.005 443 HA ALA 59 HA ALA 59 -5.363 -1.652 -1.144 444 HB1 ALA 59 1HB ALA 59 -5.660 0.777 -1.524 445 HB2 ALA 59 2HB ALA 59 -7.135 0.716 -0.559 446 HB3 ALA 59 3HB ALA 59 -5.579 0.344 0.184 447 H ALA 60 H ALA 60 -8.863 -1.371 -0.888 448 HA ALA 60 HA ALA 60 -9.049 -2.219 1.817 449 HB1 ALA 60 1HB ALA 60 -11.463 -2.879 0.676 450 HB2 ALA 60 2HB ALA 60 -11.049 -1.323 1.396 451 HB3 ALA 60 3HB ALA 60 -10.884 -1.563 -0.344 452 H ASP 61 H ASP 61 -9.992 -3.946 -1.163 453 HA ASP 61 HA ASP 61 -10.387 -6.441 -0.050 454 HB2 ASP 61 1HB ASP 61 -10.224 -5.354 -2.663 455 HB3 ASP 61 2HB ASP 61 -9.177 -6.771 -2.629 456 H ALA 62 H ALA 62 -7.395 -5.222 -1.553 457 HA ALA 62 HA ALA 62 -5.709 -7.310 -1.344 458 HB1 ALA 62 1HB ALA 62 -4.214 -5.163 -0.309 459 HB2 ALA 62 2HB ALA 62 -4.311 -5.710 -1.984 460 HB3 ALA 62 3HB ALA 62 -5.414 -4.466 -1.397 461 H ARG 63 H ARG 63 -7.103 -5.562 1.311 462 HA ARG 63 HA ARG 63 -5.314 -6.743 3.268 463 HB2 ARG 63 1HB ARG 63 -6.020 -4.488 3.699 464 HB3 ARG 63 2HB ARG 63 -7.713 -4.928 3.525 465 HG2 ARG 63 1HG ARG 63 -7.263 -6.506 5.522 466 HG3 ARG 63 2HG ARG 63 -5.839 -5.497 5.780 467 HD2 ARG 63 1HD ARG 63 -7.059 -3.714 6.451 468 HD3 ARG 63 2HD ARG 63 -8.378 -4.063 5.334 469 HE ARG 63 HE ARG 63 -8.376 -6.029 7.318 470 HH11 ARG 63 2HH1 ARG 63 -8.940 -2.609 6.987 471 HH12 ARG 63 1HH1 ARG 63 -10.061 -2.534 8.307 472 HH21 ARG 63 2HH2 ARG 63 -9.851 -5.943 9.057 473 HH22 ARG 63 1HH2 ARG 63 -10.577 -4.431 9.483 474 H LEU 64 H LEU 64 -8.828 -6.793 2.650 475 HA LEU 64 HA LEU 64 -9.549 -8.716 4.496 476 HB2 LEU 64 1HB LEU 64 -11.563 -8.480 3.584 477 HB3 LEU 64 2HB LEU 64 -10.812 -7.320 2.491 478 HG LEU 64 HG LEU 64 -10.377 -9.356 0.971 479 HD11 LEU 64 1HD1 LEU 64 -12.011 -10.525 3.116 480 HD12 LEU 64 2HD1 LEU 64 -10.895 -11.292 1.986 481 HD13 LEU 64 3HD1 LEU 64 -12.537 -10.901 1.475 482 HD21 LEU 64 1HD2 LEU 64 -12.553 -7.566 1.265 483 HD22 LEU 64 2HD2 LEU 64 -13.208 -9.135 0.796 484 HD23 LEU 64 3HD2 LEU 64 -11.974 -8.361 -0.200 485 H ARG 65 H ARG 65 -7.971 -9.101 1.414 486 HA ARG 65 HA ARG 65 -8.334 -11.981 1.398 487 HB2 ARG 65 1HB ARG 65 -7.061 -9.996 -0.454 488 HB3 ARG 65 2HB ARG 65 -6.689 -11.708 -0.614 489 HG2 ARG 65 1HG ARG 65 -9.442 -11.660 -0.458 490 HG3 ARG 65 2HG ARG 65 -9.050 -10.233 -1.420 491 HD2 ARG 65 1HD ARG 65 -8.854 -11.596 -3.168 492 HD3 ARG 65 2HD ARG 65 -7.382 -12.212 -2.417 493 HE ARG 65 HE ARG 65 -9.712 -13.513 -1.418 494 HH11 ARG 65 2HH1 ARG 65 -7.488 -13.418 -4.094 495 HH12 ARG 65 1HH1 ARG 65 -7.755 -15.070 -4.543 496 HH21 ARG 65 2HH2 ARG 65 -10.073 -15.689 -2.000 497 HH22 ARG 65 1HH2 ARG 65 -9.226 -16.361 -3.352 498 H LEU 66 H LEU 66 -5.824 -9.626 2.099 499 HA LEU 66 HA LEU 66 -3.937 -11.788 2.708 500 HB2 LEU 66 1HB LEU 66 -3.356 -8.840 2.711 501 HB3 LEU 66 2HB LEU 66 -2.208 -10.175 2.632 502 HG LEU 66 HG LEU 66 -4.174 -9.665 0.421 503 HD11 LEU 66 1HD1 LEU 66 -3.011 -7.958 -0.424 504 HD12 LEU 66 2HD1 LEU 66 -1.460 -8.696 -0.023 505 HD13 LEU 66 3HD1 LEU 66 -2.344 -7.782 1.199 506 HD21 LEU 66 1HD2 LEU 66 -3.011 -11.830 0.499 507 HD22 LEU 66 2HD2 LEU 66 -1.462 -10.986 0.487 508 HD23 LEU 66 3HD2 LEU 66 -2.540 -10.872 -0.906 509 H HIS 67 H HIS 67 -2.493 -9.762 4.446 510 HA HIS 67 HA HIS 67 -2.529 -8.954 6.607 511 HB2 HIS 67 1HB HIS 67 -5.126 -8.791 6.128 512 HB3 HIS 67 2HB HIS 67 -5.186 -10.189 7.197 513 HD1 HIS 67 1HD HIS 67 -2.485 -8.129 8.316 514 HD2 HIS 67 2HD HIS 67 -6.618 -8.044 8.739 515 HE1 HIS 67 1HE HIS 67 -2.928 -6.645 10.298 516 H LYS 68 H LYS 68 -4.003 -10.548 8.707 517 HA LYS 68 HA LYS 68 -2.108 -12.082 9.775 518 HB2 LYS 68 1HB LYS 68 -4.986 -12.993 9.610 519 HB3 LYS 68 2HB LYS 68 -3.813 -13.452 10.836 520 HG2 LYS 68 1HG LYS 68 -4.305 -11.675 12.059 521 HG3 LYS 68 2HG LYS 68 -4.026 -10.593 10.693 522 HD2 LYS 68 1HD LYS 68 -6.294 -10.325 11.477 523 HD3 LYS 68 2HD LYS 68 -6.312 -11.087 9.885 524 HE2 LYS 68 1HE LYS 68 -6.273 -12.857 12.269 525 HE3 LYS 68 2HE LYS 68 -7.770 -11.997 11.911 526 HZ1 LYS 68 1HZ LYS 68 -7.146 -12.953 9.505 527 HZ2 LYS 68 2HZ LYS 68 -8.136 -13.771 10.606 528 HZ3 LYS 68 3HZ LYS 68 -6.497 -14.175 10.480 529 H THR 69 H THR 69 -4.024 -12.970 6.984 530 HA THR 69 HA THR 69 -3.753 -15.616 6.662 531 HB THR 69 HB THR 69 -3.535 -15.313 4.251 532 HG1 THR 69 1HG THR 69 -3.017 -12.572 4.845 533 HG21 THR 69 1HG2 THR 69 -5.218 -13.026 4.520 534 HG22 THR 69 2HG2 THR 69 -5.504 -14.099 5.890 535 HG23 THR 69 3HG2 THR 69 -5.677 -14.706 4.244 536 H GLU 70 H GLU 70 -2.168 -17.054 6.799 537 HA GLU 70 HA GLU 70 0.511 -16.396 7.242 538 HB2 GLU 70 1HB GLU 70 -1.015 -18.877 6.741 539 HB3 GLU 70 2HB GLU 70 0.704 -18.957 6.383 540 HG2 GLU 70 1HG GLU 70 1.297 -18.876 8.546 541 HG3 GLU 70 2HG GLU 70 0.020 -17.735 8.964 542 H PHE 71 H PHE 71 1.517 -15.166 5.733 543 HA PHE 71 HA PHE 71 1.295 -15.686 2.921 544 HB2 PHE 71 1HB PHE 71 1.690 -13.447 3.265 545 HB3 PHE 71 2HB PHE 71 2.762 -13.735 4.632 546 HD1 PHE 71 2HD PHE 71 2.797 -14.840 1.067 547 HD2 PHE 71 1HD PHE 71 4.832 -12.842 4.226 548 HE1 PHE 71 2HE PHE 71 4.745 -14.513 -0.399 549 HE2 PHE 71 1HE PHE 71 6.783 -12.512 2.765 550 HZ PHE 71 HZ PHE 71 6.743 -13.349 0.449 551 H LEU 72 H LEU 72 4.398 -15.229 4.521 552 HA LEU 72 HA LEU 72 5.455 -17.505 3.028 553 HB2 LEU 72 1HB LEU 72 6.439 -14.979 3.596 554 HB3 LEU 72 2HB LEU 72 7.360 -16.044 4.657 555 HG LEU 72 HG LEU 72 8.497 -15.586 2.518 556 HD11 LEU 72 1HD1 LEU 72 9.232 -17.555 3.477 557 HD12 LEU 72 2HD1 LEU 72 8.724 -18.087 1.873 558 HD13 LEU 72 3HD1 LEU 72 7.678 -18.361 3.266 559 HD21 LEU 72 1HD2 LEU 72 7.080 -17.296 0.781 560 HD22 LEU 72 2HD2 LEU 72 7.342 -15.559 0.625 561 HD23 LEU 72 3HD2 LEU 72 5.909 -16.164 1.457 562 H GLY 73 H GLY 73 3.777 -18.202 5.145 563 HA2 GLY 73 1HA GLY 73 3.948 -20.030 6.621 564 HA3 GLY 73 2HA GLY 73 5.668 -19.710 6.784 565 H LYS 74 H LYS 74 4.913 -16.777 7.197 566 HA LYS 74 HA LYS 74 4.207 -17.054 10.044 567 HB2 LYS 74 1HB LYS 74 6.167 -15.340 8.604 568 HB3 LYS 74 2HB LYS 74 5.367 -14.651 10.010 569 HG2 LYS 74 1HG LYS 74 6.248 -17.262 10.689 570 HG3 LYS 74 2HG LYS 74 7.586 -16.405 9.921 571 HD2 LYS 74 1HD LYS 74 6.726 -14.463 11.535 572 HD3 LYS 74 2HD LYS 74 6.186 -15.854 12.476 573 HE2 LYS 74 1HE LYS 74 8.404 -15.190 13.181 574 HE3 LYS 74 2HE LYS 74 8.470 -16.767 12.396 575 HZ1 LYS 74 1HZ LYS 74 10.263 -15.223 11.716 576 HZ2 LYS 74 2HZ LYS 74 9.097 -14.209 11.028 577 HZ3 LYS 74 3HZ LYS 74 9.324 -15.772 10.420 578 H GLU 75 H GLU 75 2.922 -15.387 11.007 579 HA GLU 75 HA GLU 75 0.764 -14.550 9.341 580 HB2 GLU 75 1HB GLU 75 0.291 -15.146 11.616 581 HB3 GLU 75 2HB GLU 75 1.447 -13.969 12.223 582 HG2 GLU 75 1HG GLU 75 -0.005 -12.190 11.178 583 HG3 GLU 75 2HG GLU 75 -1.210 -13.452 10.927 584 H MET 76 H MET 76 0.709 -12.815 8.090 585 HA MET 76 HA MET 76 2.590 -10.629 8.592 586 HB2 MET 76 1HB MET 76 2.817 -11.188 6.370 587 HB3 MET 76 2HB MET 76 1.124 -11.631 6.198 588 HG2 MET 76 1HG MET 76 0.445 -9.395 5.993 589 HG3 MET 76 2HG MET 76 1.990 -8.788 6.585 590 HE1 MET 76 1HE MET 76 -0.135 -9.418 3.519 591 HE2 MET 76 2HE MET 76 0.958 -10.149 2.344 592 HE3 MET 76 3HE MET 76 0.458 -11.060 3.770 593 H LYS 77 H LYS 77 1.934 -8.469 8.716 594 HA LYS 77 HA LYS 77 -0.912 -8.100 9.381 595 HB2 LYS 77 1HB LYS 77 1.524 -7.336 10.747 596 HB3 LYS 77 2HB LYS 77 0.524 -5.928 10.414 597 HG2 LYS 77 1HG LYS 77 -1.296 -6.814 11.635 598 HG3 LYS 77 2HG LYS 77 -0.545 -8.409 11.730 599 HD2 LYS 77 1HD LYS 77 1.072 -6.222 12.837 600 HD3 LYS 77 2HD LYS 77 -0.444 -6.523 13.691 601 HE2 LYS 77 1HE LYS 77 0.271 -8.490 14.509 602 HE3 LYS 77 2HE LYS 77 1.056 -8.944 12.998 603 HZ1 LYS 77 1HZ LYS 77 3.011 -8.323 13.799 604 HZ2 LYS 77 2HZ LYS 77 2.286 -8.112 15.313 605 HZ3 LYS 77 3HZ LYS 77 2.431 -6.800 14.255 606 H LEU 78 H LEU 78 -1.821 -5.966 8.912 607 HA LEU 78 HA LEU 78 -0.453 -4.383 6.893 608 HB2 LEU 78 1HB LEU 78 -2.806 -6.112 6.371 609 HB3 LEU 78 2HB LEU 78 -2.789 -4.515 5.625 610 HG LEU 78 HG LEU 78 -0.400 -6.261 5.283 611 HD11 LEU 78 1HD1 LEU 78 -2.989 -6.611 3.778 612 HD12 LEU 78 2HD1 LEU 78 -2.223 -7.793 4.838 613 HD13 LEU 78 3HD1 LEU 78 -1.440 -7.326 3.328 614 HD21 LEU 78 1HD2 LEU 78 0.124 -4.646 3.859 615 HD22 LEU 78 2HD2 LEU 78 -1.380 -3.811 4.249 616 HD23 LEU 78 3HD2 LEU 78 -1.336 -4.977 2.926 617 H TYR 79 H TYR 79 -0.846 -2.287 7.195 618 HA TYR 79 HA TYR 79 -3.263 -1.525 8.701 619 HB2 TYR 79 1HB TYR 79 -0.510 -0.281 8.868 620 HB3 TYR 79 2HB TYR 79 -1.944 0.316 9.695 621 HD1 TYR 79 2HD TYR 79 0.436 -2.507 9.500 622 HD2 TYR 79 1HD TYR 79 -2.673 -0.653 11.736 623 HE1 TYR 79 2HE TYR 79 0.925 -3.991 11.401 624 HE2 TYR 79 1HE TYR 79 -2.193 -2.130 13.642 625 HH TYR 79 HH TYR 79 0.551 -4.342 13.606 626 H PHE 80 H PHE 80 -3.669 0.932 8.442 627 HA PHE 80 HA PHE 80 -3.626 1.490 5.564 628 HB2 PHE 80 1HB PHE 80 -5.546 1.926 7.707 629 HB3 PHE 80 2HB PHE 80 -5.260 3.388 6.771 630 HD1 PHE 80 1HD PHE 80 -5.081 2.781 4.100 631 HD2 PHE 80 2HD PHE 80 -7.365 0.718 7.042 632 HE1 PHE 80 1HE PHE 80 -6.592 1.953 2.344 633 HE2 PHE 80 2HE PHE 80 -8.878 -0.114 5.290 634 HZ PHE 80 HZ PHE 80 -8.492 0.502 2.937 635 H ALA 81 H ALA 81 -1.964 2.706 4.943 636 HA ALA 81 HA ALA 81 -0.540 4.452 6.673 637 HB1 ALA 81 1HB ALA 81 -0.229 3.408 4.040 638 HB2 ALA 81 2HB ALA 81 -0.006 5.157 3.990 639 HB3 ALA 81 3HB ALA 81 0.973 4.173 5.077 640 H GLN 82 H GLN 82 -1.089 6.424 7.305 641 HA GLN 82 HA GLN 82 -2.572 8.158 5.468 642 HB2 GLN 82 1HB GLN 82 -4.199 7.105 7.017 643 HB3 GLN 82 2HB GLN 82 -3.308 7.780 8.375 644 HG2 GLN 82 1HG GLN 82 -3.749 10.050 7.418 645 HG3 GLN 82 2HG GLN 82 -4.819 9.275 6.251 646 HE21 GLN 82 2HE2 GLN 82 -6.338 10.809 7.313 647 HE22 GLN 82 1HE2 GLN 82 -7.186 10.252 8.712 648 H THR 83 H THR 83 -1.066 8.060 8.698 649 HA THR 83 HA THR 83 0.158 10.675 8.096 650 HB THR 83 HB THR 83 0.255 11.053 10.549 651 HG1 THR 83 1HG THR 83 -0.138 8.571 10.807 652 HG21 THR 83 1HG2 THR 83 -2.255 11.331 10.851 653 HG22 THR 83 2HG2 THR 83 -2.427 10.600 9.256 654 HG23 THR 83 3HG2 THR 83 -1.544 12.115 9.441 655 H LEU 84 H LEU 84 2.180 11.037 9.513 656 HA LEU 84 HA LEU 84 3.986 8.845 8.962 657 HB2 LEU 84 1HB LEU 84 4.196 11.711 9.501 658 HB3 LEU 84 2HB LEU 84 5.471 10.752 10.250 659 HG LEU 84 HG LEU 84 5.488 9.777 7.709 660 HD11 LEU 84 1HD1 LEU 84 3.940 12.097 7.534 661 HD12 LEU 84 2HD1 LEU 84 4.652 11.179 6.208 662 HD13 LEU 84 3HD1 LEU 84 5.531 12.536 6.912 663 HD21 LEU 84 1HD2 LEU 84 7.355 10.619 9.202 664 HD22 LEU 84 2HD2 LEU 84 7.039 12.219 8.528 665 HD23 LEU 84 3HD2 LEU 84 7.547 10.901 7.470 666 H HIS 85 H HIS 85 2.981 10.713 11.817 667 HA HIS 85 HA HIS 85 3.007 10.233 14.040 668 HB2 HIS 85 1HB HIS 85 1.627 8.382 13.736 669 HB3 HIS 85 2HB HIS 85 2.841 7.501 12.813 670 HD1 HIS 85 1HD HIS 85 3.786 5.606 14.067 671 HD2 HIS 85 2HD HIS 85 2.647 8.700 16.596 672 HE1 HIS 85 1HE HIS 85 4.289 4.794 16.394 673 H ILE 86 H ILE 86 4.970 11.153 14.562 674 HA ILE 86 HA ILE 86 7.236 9.279 14.773 675 HB ILE 86 HB ILE 86 8.762 11.176 14.535 676 HG12 ILE 86 1HG1 ILE 86 7.088 12.867 15.413 677 HG13 ILE 86 2HG1 ILE 86 8.030 13.384 14.019 678 HG21 ILE 86 1HG2 ILE 86 8.625 10.281 12.468 679 HG22 ILE 86 2HG2 ILE 86 6.865 10.381 12.425 680 HG23 ILE 86 3HG2 ILE 86 7.838 11.814 12.092 681 HD11 ILE 86 1HD1 ILE 86 5.762 12.210 12.935 682 HD12 ILE 86 2HD1 ILE 86 5.180 13.131 14.323 683 HD13 ILE 86 3HD1 ILE 86 6.115 13.934 13.061 684 H GLY 87 H GLY 87 8.918 10.282 16.417 685 HA2 GLY 87 1HA GLY 87 8.099 11.858 18.561 686 HA3 GLY 87 2HA GLY 87 7.673 10.201 18.959 687 H SER 88 H SER 88 9.550 8.602 18.516 688 HA SER 88 HA SER 88 11.603 7.848 19.142 689 HB2 SER 88 1HB SER 88 12.073 10.306 17.701 690 HB3 SER 88 2HB SER 88 13.286 10.096 18.963 691 HG SER 88 HG SER 88 13.565 7.927 18.095 692 H SER 89 H SER 89 12.815 7.633 20.989 693 HA SER 89 HA SER 89 11.883 8.492 23.390 694 HB2 SER 89 1HB SER 89 14.490 7.458 22.450 695 HB3 SER 89 2HB SER 89 14.516 8.285 24.008 696 HG SER 89 HG SER 89 13.359 5.878 23.295 697 H HIS 90 H HIS 90 12.675 10.024 24.973 698 HA HIS 90 HA HIS 90 12.709 12.647 24.099 699 HB2 HIS 90 1HB HIS 90 12.558 11.468 26.529 700 HB3 HIS 90 2HB HIS 90 14.194 12.115 26.602 701 HD1 HIS 90 1HD HIS 90 10.729 13.052 27.091 702 HD2 HIS 90 2HD HIS 90 14.254 15.019 26.109 703 HE1 HIS 90 1HE HIS 90 10.286 15.487 27.535 704 H LEU 91 H LEU 91 15.504 10.732 25.213 705 HA LEU 91 HA LEU 91 17.239 11.760 23.231 706 HB2 LEU 91 1HB LEU 91 16.853 13.465 25.423 707 HB3 LEU 91 2HB LEU 91 18.424 12.706 25.677 708 HG LEU 91 HG LEU 91 17.715 14.054 23.086 709 HD11 LEU 91 1HD1 LEU 91 18.511 15.256 25.683 710 HD12 LEU 91 2HD1 LEU 91 17.477 15.897 24.406 711 HD13 LEU 91 3HD1 LEU 91 19.230 15.903 24.208 712 HD21 LEU 91 1HD2 LEU 91 19.814 12.459 23.774 713 HD22 LEU 91 2HD2 LEU 91 20.456 14.065 24.119 714 HD23 LEU 91 3HD2 LEU 91 19.849 13.685 22.507 715 H ALA 92 H ALA 92 17.219 10.629 26.608 716 HA ALA 92 HA ALA 92 18.323 8.935 27.655 717 HB1 ALA 92 1HB ALA 92 17.162 7.505 26.117 718 HB2 ALA 92 2HB ALA 92 18.357 7.817 24.857 719 HB3 ALA 92 3HB ALA 92 18.812 6.912 26.300 720 HA PRO 93 HA PRO 93 22.415 10.743 26.532 721 HB2 PRO 93 1HB PRO 93 23.108 11.313 29.095 722 HB3 PRO 93 2HB PRO 93 22.136 12.402 28.097 723 HG2 PRO 93 1HG PRO 93 21.249 10.456 30.192 724 HG3 PRO 93 2HG PRO 93 20.699 12.117 29.904 725 HD2 PRO 93 1HD PRO 93 19.299 9.953 29.074 726 HD3 PRO 93 2HD PRO 93 19.302 11.488 28.181 727 HA PRO 94 HA PRO 94 24.649 7.032 27.373 728 HB2 PRO 94 1HB PRO 94 27.177 7.972 27.064 729 HB3 PRO 94 2HB PRO 94 26.083 7.694 25.704 730 HG2 PRO 94 1HG PRO 94 26.745 10.253 27.108 731 HG3 PRO 94 2HG PRO 94 26.579 9.940 25.370 732 HD2 PRO 94 1HD PRO 94 24.617 11.095 26.838 733 HD3 PRO 94 2HD PRO 94 24.278 10.050 25.443 734 H ASN 95 H ASN 95 25.425 6.016 29.138 735 HA ASN 95 HA ASN 95 25.849 7.578 31.542 736 HB2 ASN 95 1HB ASN 95 24.477 5.506 31.570 737 HB3 ASN 95 2HB ASN 95 25.917 4.575 31.164 738 HD21 ASN 95 2HD2 ASN 95 23.992 5.613 33.630 739 HD22 ASN 95 1HD2 ASN 95 25.090 5.414 34.950 740 HA PRO 96 HA PRO 96 30.250 7.600 31.318 741 HB2 PRO 96 1HB PRO 96 30.787 8.038 33.943 742 HB3 PRO 96 2HB PRO 96 30.164 9.294 32.867 743 HG2 PRO 96 1HG PRO 96 28.693 7.593 34.842 744 HG3 PRO 96 2HG PRO 96 28.527 9.328 34.519 745 HD2 PRO 96 1HD PRO 96 26.801 7.491 33.530 746 HD3 PRO 96 2HD PRO 96 27.208 8.984 32.660 747 H ASP 97 H ASP 97 32.164 6.577 32.436 748 HA ASP 97 HA ASP 97 31.730 4.194 33.969 749 HB2 ASP 97 1HB ASP 97 31.689 3.981 31.120 750 HB3 ASP 97 2HB ASP 97 33.159 3.213 31.712 751 H LYS 98 H LYS 98 33.214 5.052 35.393 752 HA LYS 98 HA LYS 98 35.602 6.282 34.931 753 HB2 LYS 98 1HB LYS 98 36.304 5.580 37.115 754 HB3 LYS 98 2HB LYS 98 34.567 5.853 37.168 755 HG2 LYS 98 1HG LYS 98 34.383 3.846 38.085 756 HG3 LYS 98 2HG LYS 98 34.822 3.168 36.515 757 HD2 LYS 98 1HD LYS 98 37.264 3.607 37.336 758 HD3 LYS 98 2HD LYS 98 36.518 3.614 38.936 759 HE2 LYS 98 1HE LYS 98 35.399 1.392 37.916 760 HE3 LYS 98 2HE LYS 98 36.926 1.389 37.034 761 HZ1 LYS 98 1HZ LYS 98 36.527 1.332 39.969 762 HZ2 LYS 98 2HZ LYS 98 38.026 1.666 39.260 763 HZ3 LYS 98 3HZ LYS 98 37.282 0.168 38.999 764 H SER 99 H SER 99 37.588 5.747 34.231 765 HA SER 99 HA SER 99 38.512 3.021 34.181 766 HB2 SER 99 1HB SER 99 37.344 4.261 31.787 767 HB3 SER 99 2HB SER 99 38.954 3.589 31.531 768 HG SER 99 HG SER 99 36.703 2.227 32.600 769 H GLY 100 H GLY 100 40.737 2.860 33.294 770 HA2 GLY 100 1HA GLY 100 42.341 4.980 32.541 771 HA3 GLY 100 2HA GLY 100 42.339 4.992 34.298 772 HA PRO 101 HA PRO 101 45.306 1.754 32.358 773 HB2 PRO 101 1HB PRO 101 47.607 3.193 32.277 774 HB3 PRO 101 2HB PRO 101 46.487 3.095 30.913 775 HG2 PRO 101 1HG PRO 101 46.791 5.257 32.961 776 HG3 PRO 101 2HG PRO 101 46.564 5.400 31.209 777 HD2 PRO 101 1HD PRO 101 44.537 5.733 32.973 778 HD3 PRO 101 2HD PRO 101 44.289 5.058 31.349 779 H SER 102 H SER 102 47.657 1.327 33.371 780 HA SER 102 HA SER 102 47.669 2.042 36.207 781 HB2 SER 102 1HB SER 102 46.591 -0.343 35.449 782 HB3 SER 102 2HB SER 102 48.278 -0.799 35.685 783 HG SER 102 HG SER 102 46.496 0.359 37.554 784 H SER 103 H SER 103 49.720 1.222 37.280 785 HA SER 103 HA SER 103 51.980 0.563 35.700 786 HB2 SER 103 1HB SER 103 51.295 3.334 35.766 787 HB3 SER 103 2HB SER 103 52.776 3.111 36.698 788 HG SER 103 HG SER 103 52.524 1.864 34.197 789 H GLY 104 H GLY 104 53.924 0.357 36.957 790 HA2 GLY 104 1HA GLY 104 55.067 -0.239 38.856 791 HA3 GLY 104 2HA GLY 104 54.181 1.051 39.654
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