NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505360 | 2yql | 11347 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -17.810 9.831 23.369 2 HA2 GLY 1 1HA GLY 1 -18.020 10.522 20.583 3 HA3 GLY 1 2HA GLY 1 -16.541 10.166 21.463 4 H SER 2 H SER 2 -15.740 8.892 19.770 5 HA SER 2 HA SER 2 -16.599 6.146 19.868 6 HB2 SER 2 1HB SER 2 -17.303 5.852 17.656 7 HB3 SER 2 2HB SER 2 -18.049 7.387 18.103 8 HG SER 2 HG SER 2 -16.472 8.468 16.972 9 H SER 3 H SER 3 -15.053 4.703 19.054 10 HA SER 3 HA SER 3 -12.398 5.406 19.330 11 HB2 SER 3 1HB SER 3 -13.605 3.125 17.750 12 HB3 SER 3 2HB SER 3 -11.891 3.259 18.143 13 HG SER 3 HG SER 3 -12.463 3.202 20.348 14 H GLY 4 H GLY 4 -14.287 5.107 16.336 15 HA2 GLY 4 1HA GLY 4 -13.900 5.889 14.213 16 HA3 GLY 4 2HA GLY 4 -13.028 7.198 14.998 17 H SER 5 H SER 5 -12.315 3.721 14.849 18 HA SER 5 HA SER 5 -9.876 4.351 13.334 19 HB2 SER 5 1HB SER 5 -9.742 2.232 15.433 20 HB3 SER 5 2HB SER 5 -8.467 3.279 14.810 21 HG SER 5 HG SER 5 -10.618 4.238 16.383 22 H SER 6 H SER 6 -8.987 2.565 12.144 23 HA SER 6 HA SER 6 -10.770 0.265 11.792 24 HB2 SER 6 1HB SER 6 -10.170 2.362 9.798 25 HB3 SER 6 2HB SER 6 -10.042 0.703 9.212 26 HG SER 6 HG SER 6 -12.228 2.098 9.505 27 H GLY 7 H GLY 7 -9.755 -1.531 10.638 28 HA2 GLY 7 1HA GLY 7 -7.103 -1.986 11.570 29 HA3 GLY 7 2HA GLY 7 -8.036 -3.057 10.534 30 H HIS 8 H HIS 8 -8.373 -1.924 8.235 31 HA HIS 8 HA HIS 8 -5.654 -1.326 7.302 32 HB2 HIS 8 1HB HIS 8 -8.051 -2.264 5.712 33 HB3 HIS 8 2HB HIS 8 -6.409 -2.075 5.103 34 HD2 HIS 8 HD2 HIS 8 -4.968 -4.362 5.196 35 HE1 HIS 8 HE1 HIS 8 -7.306 -6.422 8.075 36 HE2 HIS 8 HE2 HIS 8 -5.293 -6.532 6.565 37 H GLU 9 H GLU 9 -5.331 0.296 5.682 38 HA GLU 9 HA GLU 9 -6.828 2.674 6.193 39 HB2 GLU 9 1HB GLU 9 -4.830 2.290 3.970 40 HB3 GLU 9 2HB GLU 9 -5.262 3.783 4.791 41 HG2 GLU 9 1HG GLU 9 -4.213 2.986 6.833 42 HG3 GLU 9 2HG GLU 9 -3.810 1.463 6.042 43 H ASP 10 H ASP 10 -7.285 4.054 4.045 44 HA ASP 10 HA ASP 10 -8.713 2.410 2.092 45 HB2 ASP 10 1HB ASP 10 -10.000 4.697 3.600 46 HB3 ASP 10 2HB ASP 10 -10.737 3.787 2.284 47 H PHE 11 H PHE 11 -6.289 4.136 2.139 48 HA PHE 11 HA PHE 11 -6.959 5.701 -0.226 49 HB2 PHE 11 1HB PHE 11 -5.386 6.959 2.022 50 HB3 PHE 11 2HB PHE 11 -5.988 7.735 0.561 51 HD1 PHE 11 HD2 PHE 11 -8.450 8.072 0.287 52 HD2 PHE 11 HD1 PHE 11 -6.712 6.793 3.955 53 HE1 PHE 11 HE2 PHE 11 -10.495 8.736 1.483 54 HE2 PHE 11 HE1 PHE 11 -8.754 7.454 5.158 55 HZ PHE 11 HZ PHE 11 -10.649 8.428 3.921 56 H CYS 12 H CYS 12 -5.314 5.848 -1.694 57 HA CYS 12 HA CYS 12 -3.316 3.945 -1.732 58 HB2 CYS 12 1HB CYS 12 -4.131 5.233 -3.704 59 HB3 CYS 12 2HB CYS 12 -3.223 6.627 -3.127 60 H SER 13 H SER 13 -1.227 3.823 -1.081 61 HA SER 13 HA SER 13 -0.318 5.892 0.770 62 HB2 SER 13 1HB SER 13 -0.275 3.154 0.946 63 HB3 SER 13 2HB SER 13 1.375 3.513 0.439 64 HG SER 13 HG SER 13 1.190 5.185 2.225 65 H VAL 14 H VAL 14 -0.251 6.537 -1.981 66 HA VAL 14 HA VAL 14 2.592 7.100 -2.256 67 HB VAL 14 HB VAL 14 1.028 5.789 -4.485 68 HG11 VAL 14 1HG1 VAL 14 3.393 5.771 -5.516 69 HG12 VAL 14 2HG1 VAL 14 2.465 7.272 -5.554 70 HG13 VAL 14 3HG1 VAL 14 3.741 7.051 -4.355 71 HG21 VAL 14 3HG2 VAL 14 3.353 4.765 -2.857 72 HG22 VAL 14 1HG2 VAL 14 1.688 4.191 -2.769 73 HG23 VAL 14 2HG2 VAL 14 2.628 3.947 -4.241 74 H CYS 15 H CYS 15 -0.643 7.468 -3.672 75 HA CYS 15 HA CYS 15 0.072 10.238 -4.380 76 HB2 CYS 15 1HB CYS 15 -1.579 10.126 -6.163 77 HB3 CYS 15 2HB CYS 15 -0.427 8.806 -6.335 78 H ARG 16 H ARG 16 -2.107 8.164 -2.682 79 HA ARG 16 HA ARG 16 -3.802 8.567 -1.221 80 HB2 ARG 16 1HB ARG 16 -2.180 11.023 -1.158 81 HB3 ARG 16 2HB ARG 16 -3.837 11.226 -0.606 82 HG2 ARG 16 1HG ARG 16 -3.549 9.851 1.209 83 HG3 ARG 16 2HG ARG 16 -2.223 8.961 0.458 84 HD2 ARG 16 1HD ARG 16 -2.086 11.812 1.433 85 HD3 ARG 16 2HD ARG 16 -1.461 10.408 2.297 86 HE ARG 16 HE ARG 16 -0.356 10.535 -0.302 87 HH11 ARG 16 1HH1 ARG 16 -0.186 12.063 2.822 88 HH12 ARG 16 2HH1 ARG 16 1.461 12.567 2.630 89 HH21 ARG 16 1HH2 ARG 16 1.812 11.194 -0.566 90 HH22 ARG 16 2HH2 ARG 16 2.596 12.073 0.702 91 H LYS 17 H LYS 17 -5.399 8.119 -2.777 92 HA LYS 17 HA LYS 17 -6.986 10.461 -3.515 93 HB2 LYS 17 1HB LYS 17 -5.787 8.485 -5.397 94 HB3 LYS 17 2HB LYS 17 -7.410 9.068 -5.742 95 HG2 LYS 17 1HG LYS 17 -6.649 11.328 -5.863 96 HG3 LYS 17 2HG LYS 17 -5.044 10.870 -5.286 97 HD2 LYS 17 1HD LYS 17 -4.532 10.836 -7.479 98 HD3 LYS 17 2HD LYS 17 -5.295 9.245 -7.440 99 HE2 LYS 17 1HE LYS 17 -7.205 11.417 -7.782 100 HE3 LYS 17 2HE LYS 17 -6.004 11.351 -9.071 101 HZ1 LYS 17 3HZ LYS 17 -7.231 8.827 -8.282 102 HZ2 LYS 17 1HZ LYS 17 -6.777 9.378 -9.816 103 HZ3 LYS 17 2HZ LYS 17 -8.216 9.922 -9.115 104 H SER 18 H SER 18 -9.122 9.543 -4.629 105 HA SER 18 HA SER 18 -10.150 7.535 -2.750 106 HB2 SER 18 1HB SER 18 -12.325 8.468 -3.096 107 HB3 SER 18 2HB SER 18 -11.222 9.827 -2.879 108 HG SER 18 HG SER 18 -11.880 10.491 -4.748 109 H GLY 19 H GLY 19 -11.344 5.763 -3.450 110 HA2 GLY 19 1HA GLY 19 -12.499 4.911 -5.602 111 HA3 GLY 19 2HA GLY 19 -10.877 5.048 -6.265 112 H GLN 20 H GLN 20 -11.150 2.742 -6.710 113 HA GLN 20 HA GLN 20 -11.258 0.908 -4.501 114 HB2 GLN 20 1HB GLN 20 -10.986 -0.829 -6.173 115 HB3 GLN 20 2HB GLN 20 -12.182 0.339 -6.718 116 HG2 GLN 20 1HG GLN 20 -9.940 1.369 -7.818 117 HG3 GLN 20 2HG GLN 20 -9.563 -0.353 -7.844 118 HE21 GLN 20 1HE2 GLN 20 -11.501 2.171 -9.147 119 HE22 GLN 20 2HE2 GLN 20 -12.290 1.235 -10.365 120 H LEU 21 H LEU 21 -9.616 -0.011 -3.423 121 HA LEU 21 HA LEU 21 -6.886 0.373 -4.449 122 HB2 LEU 21 1HB LEU 21 -8.061 1.226 -1.895 123 HB3 LEU 21 2HB LEU 21 -6.513 0.394 -1.759 124 HG LEU 21 HG LEU 21 -6.687 2.603 -3.728 125 HD11 LEU 21 1HD1 LEU 21 -7.884 3.271 -1.526 126 HD12 LEU 21 2HD1 LEU 21 -6.662 4.343 -2.211 127 HD13 LEU 21 3HD1 LEU 21 -6.253 3.294 -0.853 128 HD21 LEU 21 3HD2 LEU 21 -4.686 1.038 -2.878 129 HD22 LEU 21 1HD2 LEU 21 -4.536 2.358 -1.718 130 HD23 LEU 21 2HD2 LEU 21 -4.444 2.690 -3.448 131 H LEU 22 H LEU 22 -5.392 -1.245 -3.947 132 HA LEU 22 HA LEU 22 -6.546 -3.847 -3.538 133 HB2 LEU 22 1HB LEU 22 -4.545 -3.097 -5.052 134 HB3 LEU 22 2HB LEU 22 -3.603 -3.357 -3.585 135 HG LEU 22 HG LEU 22 -4.348 -5.697 -3.536 136 HD11 LEU 22 1HD1 LEU 22 -6.068 -4.744 -5.724 137 HD12 LEU 22 2HD1 LEU 22 -6.323 -6.041 -4.557 138 HD13 LEU 22 3HD1 LEU 22 -5.313 -6.318 -5.976 139 HD21 LEU 22 3HD2 LEU 22 -2.659 -6.315 -4.872 140 HD22 LEU 22 1HD2 LEU 22 -2.433 -4.584 -5.123 141 HD23 LEU 22 2HD2 LEU 22 -3.360 -5.530 -6.288 142 H MET 23 H MET 23 -5.895 -5.357 -1.915 143 HA MET 23 HA MET 23 -4.941 -4.079 0.563 144 HB2 MET 23 1HB MET 23 -6.848 -6.413 0.438 145 HB3 MET 23 2HB MET 23 -6.423 -5.447 1.844 146 HG2 MET 23 1HG MET 23 -7.481 -3.486 0.698 147 HG3 MET 23 2HG MET 23 -8.068 -4.610 -0.526 148 HE1 MET 23 3HE MET 23 -9.927 -3.588 3.403 149 HE2 MET 23 1HE MET 23 -8.331 -3.091 2.838 150 HE3 MET 23 2HE MET 23 -9.772 -2.615 1.940 151 H CYS 24 H CYS 24 -3.458 -5.171 1.802 152 HA CYS 24 HA CYS 24 -2.022 -7.302 0.454 153 HB2 CYS 24 1HB CYS 24 -0.770 -5.436 1.449 154 HB3 CYS 24 2HB CYS 24 -1.414 -5.845 3.035 155 H ASP 25 H ASP 25 -1.666 -9.355 1.269 156 HA ASP 25 HA ASP 25 -3.669 -10.267 3.192 157 HB2 ASP 25 1HB ASP 25 -2.901 -11.320 0.805 158 HB3 ASP 25 2HB ASP 25 -1.900 -12.254 1.913 159 H THR 26 H THR 26 -1.589 -8.789 4.305 160 HA THR 26 HA THR 26 -0.563 -10.700 6.202 161 HB THR 26 HB THR 26 1.715 -9.126 5.419 162 HG1 THR 26 HG1 THR 26 0.806 -10.907 3.398 163 HG21 THR 26 3HG2 THR 26 1.320 -12.108 5.221 164 HG22 THR 26 1HG2 THR 26 1.627 -11.271 6.742 165 HG23 THR 26 2HG2 THR 26 2.832 -11.232 5.454 166 H CYS 27 H CYS 27 0.344 -7.423 5.114 167 HA CYS 27 HA CYS 27 0.165 -6.486 7.867 168 HB2 CYS 27 1HB CYS 27 1.271 -4.484 7.084 169 HB3 CYS 27 2HB CYS 27 2.124 -5.888 6.450 170 H SER 28 H SER 28 -0.521 -3.874 7.601 171 HA SER 28 HA SER 28 -3.282 -3.999 6.574 172 HB2 SER 28 1HB SER 28 -3.470 -2.074 8.450 173 HB3 SER 28 2HB SER 28 -3.749 -3.781 8.797 174 HG SER 28 HG SER 28 -2.141 -3.647 10.125 175 H ARG 29 H ARG 29 -2.139 -3.215 4.581 176 HA ARG 29 HA ARG 29 -2.232 -0.297 4.546 177 HB2 ARG 29 1HB ARG 29 0.053 -1.815 3.282 178 HB3 ARG 29 2HB ARG 29 -0.151 -0.070 3.359 179 HG2 ARG 29 1HG ARG 29 -0.149 -0.512 5.950 180 HG3 ARG 29 2HG ARG 29 0.712 -1.976 5.468 181 HD2 ARG 29 1HD ARG 29 2.567 -0.843 4.883 182 HD3 ARG 29 2HD ARG 29 1.651 0.491 4.183 183 HE ARG 29 HE ARG 29 1.462 0.499 7.014 184 HH11 ARG 29 1HH1 ARG 29 3.609 1.269 4.384 185 HH12 ARG 29 2HH1 ARG 29 4.469 2.484 5.270 186 HH21 ARG 29 1HH2 ARG 29 2.587 2.097 8.191 187 HH22 ARG 29 2HH2 ARG 29 3.888 2.953 7.436 188 H VAL 30 H VAL 30 -2.544 0.596 2.423 189 HA VAL 30 HA VAL 30 -3.557 -1.365 0.467 190 HB VAL 30 HB VAL 30 -5.238 0.310 -0.222 191 HG11 VAL 30 1HG1 VAL 30 -5.333 -0.467 2.691 192 HG12 VAL 30 2HG1 VAL 30 -6.717 0.053 1.728 193 HG13 VAL 30 3HG1 VAL 30 -5.875 -1.444 1.327 194 HG21 VAL 30 3HG2 VAL 30 -4.785 2.430 0.345 195 HG22 VAL 30 1HG2 VAL 30 -5.508 2.019 1.901 196 HG23 VAL 30 2HG2 VAL 30 -3.757 1.946 1.695 197 H TYR 31 H TYR 31 -3.155 -0.977 -1.694 198 HA TYR 31 HA TYR 31 -1.698 1.435 -2.447 199 HB2 TYR 31 1HB TYR 31 -0.603 -1.326 -3.016 200 HB3 TYR 31 2HB TYR 31 0.122 0.207 -3.485 201 HD1 TYR 31 HD1 TYR 31 1.068 1.707 -1.732 202 HD2 TYR 31 HD2 TYR 31 -0.274 -2.232 -0.843 203 HE1 TYR 31 HE1 TYR 31 2.333 1.758 0.377 204 HE2 TYR 31 HE2 TYR 31 0.986 -2.191 1.269 205 HH TYR 31 HH TYR 31 3.180 0.421 2.049 206 H HIS 32 H HIS 32 -2.180 2.117 -4.453 207 HA HIS 32 HA HIS 32 -4.347 1.066 -5.859 208 HB2 HIS 32 1HB HIS 32 -2.232 3.081 -6.453 209 HB3 HIS 32 2HB HIS 32 -3.205 2.491 -7.797 210 HD2 HIS 32 HD2 HIS 32 -5.992 2.415 -5.756 211 HE1 HIS 32 HE1 HIS 32 -5.408 6.611 -5.988 212 HE2 HIS 32 HE2 HIS 32 -6.992 4.764 -5.338 213 H LEU 33 H LEU 33 -3.999 0.679 -8.400 214 HA LEU 33 HA LEU 33 -2.433 -1.773 -8.538 215 HB2 LEU 33 1HB LEU 33 -4.621 -0.560 -10.163 216 HB3 LEU 33 2HB LEU 33 -3.583 -1.783 -10.892 217 HG LEU 33 HG LEU 33 -5.211 -2.194 -8.385 218 HD11 LEU 33 1HD1 LEU 33 -5.809 -3.374 -11.074 219 HD12 LEU 33 2HD1 LEU 33 -6.473 -1.814 -10.587 220 HD13 LEU 33 3HD1 LEU 33 -6.847 -3.262 -9.652 221 HD21 LEU 33 3HD2 LEU 33 -4.054 -4.069 -8.139 222 HD22 LEU 33 1HD2 LEU 33 -3.053 -3.635 -9.525 223 HD23 LEU 33 2HD2 LEU 33 -4.521 -4.584 -9.761 224 H ASP 34 H ASP 34 -2.385 1.481 -9.716 225 HA ASP 34 HA ASP 34 -0.241 0.843 -11.614 226 HB2 ASP 34 1HB ASP 34 -1.911 3.333 -11.227 227 HB3 ASP 34 2HB ASP 34 -0.554 3.233 -12.346 228 H CYS 35 H CYS 35 -0.814 2.196 -8.520 229 HA CYS 35 HA CYS 35 1.788 3.539 -8.475 230 HB2 CYS 35 1HB CYS 35 -0.283 3.484 -6.277 231 HB3 CYS 35 2HB CYS 35 1.071 4.596 -6.451 232 H LEU 36 H LEU 36 2.392 1.043 -8.714 233 HA LEU 36 HA LEU 36 2.948 0.065 -5.991 234 HB2 LEU 36 1HB LEU 36 2.241 -1.414 -8.496 235 HB3 LEU 36 2HB LEU 36 3.160 -2.203 -7.216 236 HG LEU 36 HG LEU 36 0.389 -1.038 -6.946 237 HD11 LEU 36 1HD1 LEU 36 1.340 -3.586 -7.867 238 HD12 LEU 36 2HD1 LEU 36 -0.311 -2.975 -7.765 239 HD13 LEU 36 3HD1 LEU 36 0.419 -3.777 -6.374 240 HD21 LEU 36 3HD2 LEU 36 0.543 -2.388 -4.756 241 HD22 LEU 36 1HD2 LEU 36 1.331 -0.812 -4.832 242 HD23 LEU 36 2HD2 LEU 36 2.288 -2.284 -4.992 243 H ASP 37 H ASP 37 4.834 -1.716 -6.275 244 HA ASP 37 HA ASP 37 6.902 -0.780 -8.092 245 HB2 ASP 37 1HB ASP 37 7.083 0.640 -6.032 246 HB3 ASP 37 2HB ASP 37 7.398 -0.828 -5.110 247 HA PRO 38 HA PRO 38 7.479 -1.686 -9.637 248 HB2 PRO 38 1HB PRO 38 6.705 -3.583 -11.418 249 HB3 PRO 38 2HB PRO 38 8.379 -3.395 -10.881 250 HG2 PRO 38 1HG PRO 38 6.300 -5.339 -9.955 251 HG3 PRO 38 2HG PRO 38 8.015 -5.618 -10.304 252 HD2 PRO 38 1HD PRO 38 7.072 -5.319 -7.784 253 HD3 PRO 38 2HD PRO 38 8.696 -4.786 -8.266 254 HA PRO 39 HA PRO 39 3.213 -0.710 -10.071 255 HB2 PRO 39 1HB PRO 39 2.999 -0.091 -12.705 256 HB3 PRO 39 2HB PRO 39 3.828 0.947 -11.539 257 HG2 PRO 39 1HG PRO 39 4.981 -1.019 -13.479 258 HG3 PRO 39 2HG PRO 39 5.542 0.614 -13.074 259 HD2 PRO 39 1HD PRO 39 6.687 -1.615 -12.049 260 HD3 PRO 39 2HD PRO 39 6.593 -0.089 -11.147 261 H LEU 40 H LEU 40 1.188 -1.451 -10.802 262 HA LEU 40 HA LEU 40 1.263 -4.030 -12.226 263 HB2 LEU 40 1HB LEU 40 -0.042 -3.202 -9.735 264 HB3 LEU 40 2HB LEU 40 -1.091 -4.078 -10.848 265 HG LEU 40 HG LEU 40 1.524 -5.078 -9.721 266 HD11 LEU 40 1HD1 LEU 40 -0.865 -6.601 -9.133 267 HD12 LEU 40 2HD1 LEU 40 -0.965 -4.954 -8.512 268 HD13 LEU 40 3HD1 LEU 40 0.383 -5.991 -8.046 269 HD21 LEU 40 3HD2 LEU 40 -0.418 -6.216 -11.704 270 HD22 LEU 40 1HD2 LEU 40 0.614 -7.257 -10.723 271 HD23 LEU 40 2HD2 LEU 40 1.338 -6.081 -11.820 272 H LYS 41 H LYS 41 -1.153 -4.543 -12.963 273 HA LYS 41 HA LYS 41 -2.355 -2.142 -14.137 274 HB2 LYS 41 1HB LYS 41 -0.851 -3.056 -15.839 275 HB3 LYS 41 2HB LYS 41 -1.617 -4.632 -15.687 276 HG2 LYS 41 1HG LYS 41 -3.267 -4.073 -17.069 277 HG3 LYS 41 2HG LYS 41 -3.530 -2.526 -16.261 278 HD2 LYS 41 1HD LYS 41 -1.865 -1.458 -17.553 279 HD3 LYS 41 2HD LYS 41 -1.223 -2.996 -18.134 280 HE2 LYS 41 1HE LYS 41 -2.995 -3.323 -19.600 281 HE3 LYS 41 2HE LYS 41 -4.051 -2.214 -18.726 282 HZ1 LYS 41 3HZ LYS 41 -3.495 -0.769 -20.312 283 HZ2 LYS 41 1HZ LYS 41 -2.161 -1.674 -20.825 284 HZ3 LYS 41 2HZ LYS 41 -2.013 -0.621 -19.510 285 H THR 42 H THR 42 -2.839 -5.650 -14.511 286 HA THR 42 HA THR 42 -5.680 -5.277 -13.952 287 HB THR 42 HB THR 42 -6.027 -7.483 -14.827 288 HG1 THR 42 HG1 THR 42 -3.264 -7.857 -15.259 289 HG21 THR 42 3HG2 THR 42 -5.306 -7.209 -17.071 290 HG22 THR 42 1HG2 THR 42 -3.903 -6.261 -16.580 291 HG23 THR 42 2HG2 THR 42 -5.523 -5.582 -16.425 292 H ILE 43 H ILE 43 -6.470 -7.633 -12.923 293 HA ILE 43 HA ILE 43 -5.742 -7.391 -10.178 294 HB ILE 43 HB ILE 43 -7.373 -9.548 -11.525 295 HG12 ILE 43 1HG1 ILE 43 -8.346 -7.340 -11.881 296 HG13 ILE 43 2HG1 ILE 43 -9.318 -8.247 -10.727 297 HG21 ILE 43 1HG2 ILE 43 -8.102 -9.047 -8.813 298 HG22 ILE 43 2HG2 ILE 43 -7.519 -10.540 -9.547 299 HG23 ILE 43 3HG2 ILE 43 -6.371 -9.372 -8.894 300 HD11 ILE 43 3HD1 ILE 43 -9.199 -6.107 -9.831 301 HD12 ILE 43 1HD1 ILE 43 -7.986 -7.014 -8.928 302 HD13 ILE 43 2HD1 ILE 43 -7.491 -5.932 -10.231 303 HA PRO 44 HA PRO 44 -2.195 -10.105 -10.530 304 HB2 PRO 44 1HB PRO 44 -1.396 -9.792 -7.954 305 HB3 PRO 44 2HB PRO 44 -1.081 -8.589 -9.210 306 HG2 PRO 44 1HG PRO 44 -3.226 -8.632 -7.123 307 HG3 PRO 44 2HG PRO 44 -2.222 -7.276 -7.667 308 HD2 PRO 44 1HD PRO 44 -4.769 -7.633 -8.513 309 HD3 PRO 44 2HD PRO 44 -3.516 -6.904 -9.538 310 H LYS 45 H LYS 45 -3.513 -11.998 -10.792 311 HA LYS 45 HA LYS 45 -4.976 -13.309 -8.853 312 HB2 LYS 45 1HB LYS 45 -4.476 -15.394 -10.132 313 HB3 LYS 45 2HB LYS 45 -5.034 -14.061 -11.133 314 HG2 LYS 45 1HG LYS 45 -2.752 -13.602 -11.831 315 HG3 LYS 45 2HG LYS 45 -2.161 -14.899 -10.788 316 HD2 LYS 45 1HD LYS 45 -3.946 -16.292 -12.195 317 HD3 LYS 45 2HD LYS 45 -3.586 -15.041 -13.387 318 HE2 LYS 45 1HE LYS 45 -1.117 -15.863 -12.319 319 HE3 LYS 45 2HE LYS 45 -2.037 -17.334 -12.634 320 HZ1 LYS 45 3HZ LYS 45 -2.465 -16.404 -14.902 321 HZ2 LYS 45 1HZ LYS 45 -0.854 -16.820 -14.595 322 HZ3 LYS 45 2HZ LYS 45 -1.329 -15.197 -14.562 323 H GLY 46 H GLY 46 -4.428 -15.331 -7.683 324 HA2 GLY 46 1HA GLY 46 -3.111 -16.585 -6.265 325 HA3 GLY 46 2HA GLY 46 -1.697 -15.908 -7.058 326 H MET 47 H MET 47 -1.877 -16.373 -4.287 327 HA MET 47 HA MET 47 -2.647 -14.254 -2.696 328 HB2 MET 47 1HB MET 47 -1.863 -16.353 -1.759 329 HB3 MET 47 2HB MET 47 -0.246 -16.064 -2.387 330 HG2 MET 47 1HG MET 47 0.308 -14.712 -0.694 331 HG3 MET 47 2HG MET 47 -1.272 -13.933 -0.666 332 HE1 MET 47 3HE MET 47 0.961 -15.573 1.735 333 HE2 MET 47 1HE MET 47 -0.007 -14.107 1.894 334 HE3 MET 47 2HE MET 47 -0.315 -15.486 2.950 335 H TRP 48 H TRP 48 -2.249 -12.191 -3.250 336 HA TRP 48 HA TRP 48 0.402 -11.420 -4.189 337 HB2 TRP 48 1HB TRP 48 -1.621 -10.562 -5.345 338 HB3 TRP 48 2HB TRP 48 -2.090 -9.735 -3.863 339 HD1 TRP 48 HD1 TRP 48 0.512 -9.580 -6.678 340 HE1 TRP 48 HE1 TRP 48 1.573 -7.235 -6.680 341 HE3 TRP 48 HE3 TRP 48 -1.595 -7.732 -2.403 342 HZ2 TRP 48 HZ2 TRP 48 1.524 -4.910 -5.081 343 HZ3 TRP 48 HZ3 TRP 48 -1.036 -5.438 -1.708 344 HH2 TRP 48 HH2 TRP 48 0.492 -4.058 -3.021 345 H ILE 49 H ILE 49 1.742 -9.972 -3.138 346 HA ILE 49 HA ILE 49 0.946 -9.072 -0.464 347 HB ILE 49 HB ILE 49 3.589 -10.422 -1.019 348 HG12 ILE 49 1HG1 ILE 49 1.191 -11.429 0.529 349 HG13 ILE 49 2HG1 ILE 49 1.725 -12.031 -1.037 350 HG21 ILE 49 1HG2 ILE 49 2.366 -9.441 1.557 351 HG22 ILE 49 2HG2 ILE 49 3.913 -10.271 1.394 352 HG23 ILE 49 3HG2 ILE 49 3.691 -8.672 0.684 353 HD11 ILE 49 3HD1 ILE 49 2.536 -12.840 1.558 354 HD12 ILE 49 1HD1 ILE 49 3.020 -13.491 -0.008 355 HD13 ILE 49 2HD1 ILE 49 3.933 -12.167 0.717 356 H CYS 50 H CYS 50 1.450 -7.010 -0.118 357 HA CYS 50 HA CYS 50 2.495 -5.319 -2.033 358 HB2 CYS 50 1HB CYS 50 2.581 -3.631 -0.347 359 HB3 CYS 50 2HB CYS 50 1.212 -4.668 0.042 360 HA PRO 51 HA PRO 51 6.859 -5.790 -2.015 361 HB2 PRO 51 1HB PRO 51 7.659 -3.251 -2.552 362 HB3 PRO 51 2HB PRO 51 6.905 -4.297 -3.761 363 HG2 PRO 51 1HG PRO 51 5.679 -2.124 -2.107 364 HG3 PRO 51 2HG PRO 51 5.449 -2.485 -3.828 365 HD2 PRO 51 1HD PRO 51 3.662 -3.226 -1.933 366 HD3 PRO 51 2HD PRO 51 3.950 -4.182 -3.401 367 H ARG 52 H ARG 52 5.282 -3.764 0.249 368 HA ARG 52 HA ARG 52 7.633 -2.909 1.659 369 HB2 ARG 52 1HB ARG 52 4.815 -2.374 1.754 370 HB3 ARG 52 2HB ARG 52 5.381 -2.785 3.367 371 HG2 ARG 52 1HG ARG 52 6.912 -0.809 1.745 372 HG3 ARG 52 2HG ARG 52 5.414 -0.315 2.537 373 HD2 ARG 52 1HD ARG 52 7.180 0.186 4.039 374 HD3 ARG 52 2HD ARG 52 6.364 -1.243 4.672 375 HE ARG 52 HE ARG 52 8.318 -2.388 4.429 376 HH11 ARG 52 1HH1 ARG 52 8.404 0.402 2.348 377 HH12 ARG 52 2HH1 ARG 52 10.043 0.141 1.849 378 HH21 ARG 52 1HH2 ARG 52 10.476 -2.743 3.778 379 HH22 ARG 52 2HH2 ARG 52 11.219 -1.649 2.662 380 H CYS 53 H CYS 53 5.577 -5.685 1.691 381 HA CYS 53 HA CYS 53 6.444 -6.571 4.311 382 HB2 CYS 53 1HB CYS 53 4.567 -7.610 2.224 383 HB3 CYS 53 2HB CYS 53 5.179 -8.715 3.451 384 H GLN 54 H GLN 54 6.755 -7.770 0.968 385 HA GLN 54 HA GLN 54 8.434 -9.909 1.435 386 HB2 GLN 54 1HB GLN 54 8.405 -8.031 -0.932 387 HB3 GLN 54 2HB GLN 54 9.224 -9.586 -0.904 388 HG2 GLN 54 1HG GLN 54 6.514 -9.943 -0.087 389 HG3 GLN 54 2HG GLN 54 6.555 -9.033 -1.597 390 HE21 GLN 54 1HE2 GLN 54 6.195 -10.375 -3.208 391 HE22 GLN 54 2HE2 GLN 54 6.914 -11.931 -3.418 392 H ASP 55 H ASP 55 9.175 -6.501 1.366 393 HA ASP 55 HA ASP 55 12.044 -7.023 1.523 394 HB2 ASP 55 1HB ASP 55 10.364 -4.741 0.775 395 HB3 ASP 55 2HB ASP 55 11.734 -4.301 1.790 396 H GLN 56 H GLN 56 13.299 -5.789 3.183 397 HA GLN 56 HA GLN 56 12.115 -6.266 5.785 398 HB2 GLN 56 1HB GLN 56 14.898 -5.422 4.967 399 HB3 GLN 56 2HB GLN 56 14.402 -5.727 6.627 400 HG2 GLN 56 1HG GLN 56 13.644 -8.038 5.565 401 HG3 GLN 56 2HG GLN 56 14.915 -7.625 4.416 402 HE21 GLN 56 1HE2 GLN 56 14.586 -9.650 6.667 403 HE22 GLN 56 2HE2 GLN 56 16.050 -9.497 7.571 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.758 2.810 19.869 2 HA2 GLY 1 1HA GLY 1 -5.806 4.951 20.347 3 HA3 GLY 1 2HA GLY 1 -5.333 3.595 19.334 4 H SER 2 H SER 2 -5.304 6.202 18.393 5 HA SER 2 HA SER 2 -7.706 6.803 16.956 6 HB2 SER 2 1HB SER 2 -5.281 8.031 15.893 7 HB3 SER 2 2HB SER 2 -6.715 8.790 16.586 8 HG SER 2 HG SER 2 -4.534 8.934 17.713 9 H SER 3 H SER 3 -4.462 5.735 15.931 10 HA SER 3 HA SER 3 -5.726 4.444 13.607 11 HB2 SER 3 1HB SER 3 -3.584 6.462 13.671 12 HB3 SER 3 2HB SER 3 -3.227 5.053 12.672 13 HG SER 3 HG SER 3 -5.692 6.416 12.476 14 H GLY 4 H GLY 4 -5.580 2.336 14.083 15 HA2 GLY 4 1HA GLY 4 -2.898 1.250 14.575 16 HA3 GLY 4 2HA GLY 4 -4.185 0.835 15.698 17 H SER 5 H SER 5 -5.634 -0.731 15.169 18 HA SER 5 HA SER 5 -5.437 -1.894 12.473 19 HB2 SER 5 1HB SER 5 -5.651 -3.512 15.021 20 HB3 SER 5 2HB SER 5 -5.448 -4.131 13.382 21 HG SER 5 HG SER 5 -3.384 -3.401 13.351 22 H SER 6 H SER 6 -7.393 -0.104 13.108 23 HA SER 6 HA SER 6 -9.752 -1.291 14.149 24 HB2 SER 6 1HB SER 6 -9.976 0.980 14.250 25 HB3 SER 6 2HB SER 6 -9.052 1.243 12.772 26 HG SER 6 HG SER 6 -11.673 1.259 13.061 27 H GLY 7 H GLY 7 -9.160 -0.189 10.805 28 HA2 GLY 7 1HA GLY 7 -10.203 -2.690 9.758 29 HA3 GLY 7 2HA GLY 7 -11.206 -1.278 9.464 30 H HIS 8 H HIS 8 -7.673 -1.470 9.491 31 HA HIS 8 HA HIS 8 -6.112 -0.958 7.917 32 HB2 HIS 8 1HB HIS 8 -8.253 -2.003 6.053 33 HB3 HIS 8 2HB HIS 8 -6.585 -1.686 5.585 34 HD2 HIS 8 HD2 HIS 8 -5.145 -3.960 5.619 35 HE1 HIS 8 HE1 HIS 8 -7.271 -5.997 8.673 36 HE2 HIS 8 HE2 HIS 8 -5.320 -6.085 7.083 37 H GLU 9 H GLU 9 -5.836 0.311 5.723 38 HA GLU 9 HA GLU 9 -7.103 2.878 6.167 39 HB2 GLU 9 1HB GLU 9 -5.111 2.196 4.009 40 HB3 GLU 9 2HB GLU 9 -5.472 3.778 4.686 41 HG2 GLU 9 1HG GLU 9 -4.561 2.970 6.863 42 HG3 GLU 9 2HG GLU 9 -4.047 1.501 6.035 43 H ASP 10 H ASP 10 -7.305 4.051 3.776 44 HA ASP 10 HA ASP 10 -8.784 2.385 1.927 45 HB2 ASP 10 1HB ASP 10 -10.105 4.448 3.666 46 HB3 ASP 10 2HB ASP 10 -10.743 4.088 2.064 47 H PHE 11 H PHE 11 -6.396 4.161 2.006 48 HA PHE 11 HA PHE 11 -7.038 5.675 -0.399 49 HB2 PHE 11 1HB PHE 11 -5.544 6.999 1.864 50 HB3 PHE 11 2HB PHE 11 -6.129 7.740 0.378 51 HD1 PHE 11 HD1 PHE 11 -8.567 8.079 0.053 52 HD2 PHE 11 HD2 PHE 11 -6.932 6.778 3.761 53 HE1 PHE 11 HE1 PHE 11 -10.651 8.720 1.192 54 HE2 PHE 11 HE2 PHE 11 -9.015 7.415 4.906 55 HZ PHE 11 HZ PHE 11 -10.878 8.387 3.622 56 H CYS 12 H CYS 12 -5.366 5.819 -1.832 57 HA CYS 12 HA CYS 12 -3.327 3.960 -1.784 58 HB2 CYS 12 1HB CYS 12 -4.136 5.212 -3.795 59 HB3 CYS 12 2HB CYS 12 -3.231 6.614 -3.231 60 H SER 13 H SER 13 -1.258 3.892 -1.073 61 HA SER 13 HA SER 13 -0.433 6.021 0.749 62 HB2 SER 13 1HB SER 13 -0.348 3.294 1.000 63 HB3 SER 13 2HB SER 13 1.305 3.658 0.505 64 HG SER 13 HG SER 13 1.511 4.060 2.572 65 H VAL 14 H VAL 14 -0.309 6.630 -1.998 66 HA VAL 14 HA VAL 14 2.525 7.239 -2.221 67 HB VAL 14 HB VAL 14 1.047 5.815 -4.439 68 HG11 VAL 14 1HG1 VAL 14 3.794 7.045 -4.328 69 HG12 VAL 14 2HG1 VAL 14 3.286 5.899 -5.569 70 HG13 VAL 14 3HG1 VAL 14 2.469 7.455 -5.417 71 HG21 VAL 14 3HG2 VAL 14 3.349 4.954 -2.691 72 HG22 VAL 14 1HG2 VAL 14 1.730 4.258 -2.737 73 HG23 VAL 14 2HG2 VAL 14 2.803 4.086 -4.126 74 H CYS 15 H CYS 15 -0.678 7.495 -3.730 75 HA CYS 15 HA CYS 15 -0.008 10.263 -4.490 76 HB2 CYS 15 1HB CYS 15 -1.609 10.068 -6.310 77 HB3 CYS 15 2HB CYS 15 -0.424 8.770 -6.420 78 H ARG 16 H ARG 16 -2.171 8.186 -2.780 79 HA ARG 16 HA ARG 16 -3.896 8.593 -1.355 80 HB2 ARG 16 1HB ARG 16 -3.154 11.513 -1.526 81 HB3 ARG 16 2HB ARG 16 -3.986 10.689 -0.214 82 HG2 ARG 16 1HG ARG 16 -1.539 9.360 -0.529 83 HG3 ARG 16 2HG ARG 16 -1.181 11.086 -0.621 84 HD2 ARG 16 1HD ARG 16 -2.732 11.236 1.466 85 HD3 ARG 16 2HD ARG 16 -2.389 9.513 1.616 86 HE ARG 16 HE ARG 16 0.068 10.630 1.349 87 HH11 ARG 16 1HH1 ARG 16 -2.631 11.214 3.469 88 HH12 ARG 16 2HH1 ARG 16 -1.646 11.748 4.790 89 HH21 ARG 16 1HH2 ARG 16 1.376 11.332 3.080 90 HH22 ARG 16 2HH2 ARG 16 0.634 11.816 4.567 91 H LYS 17 H LYS 17 -5.340 7.992 -3.070 92 HA LYS 17 HA LYS 17 -7.099 10.201 -3.829 93 HB2 LYS 17 1HB LYS 17 -5.417 8.729 -5.659 94 HB3 LYS 17 2HB LYS 17 -7.114 8.475 -6.046 95 HG2 LYS 17 1HG LYS 17 -6.154 11.249 -5.553 96 HG3 LYS 17 2HG LYS 17 -5.773 10.466 -7.089 97 HD2 LYS 17 1HD LYS 17 -8.230 9.954 -7.309 98 HD3 LYS 17 2HD LYS 17 -8.496 11.002 -5.914 99 HE2 LYS 17 1HE LYS 17 -7.045 11.913 -8.387 100 HE3 LYS 17 2HE LYS 17 -8.791 12.062 -8.197 101 HZ1 LYS 17 3HZ LYS 17 -7.377 13.074 -5.933 102 HZ2 LYS 17 1HZ LYS 17 -8.541 13.830 -6.900 103 HZ3 LYS 17 2HZ LYS 17 -6.913 13.860 -7.358 104 H SER 18 H SER 18 -9.224 9.415 -4.629 105 HA SER 18 HA SER 18 -10.116 7.219 -2.966 106 HB2 SER 18 1HB SER 18 -12.143 8.220 -3.025 107 HB3 SER 18 2HB SER 18 -11.271 9.592 -3.710 108 HG SER 18 HG SER 18 -12.774 9.245 -5.203 109 H GLY 19 H GLY 19 -11.997 5.873 -4.099 110 HA2 GLY 19 1HA GLY 19 -12.637 4.793 -6.192 111 HA3 GLY 19 2HA GLY 19 -10.955 4.910 -6.689 112 H GLN 20 H GLN 20 -10.761 2.704 -7.079 113 HA GLN 20 HA GLN 20 -11.207 0.874 -4.849 114 HB2 GLN 20 1HB GLN 20 -10.829 0.574 -7.788 115 HB3 GLN 20 2HB GLN 20 -10.344 -0.767 -6.758 116 HG2 GLN 20 1HG GLN 20 -12.536 -1.046 -5.926 117 HG3 GLN 20 2HG GLN 20 -13.068 0.486 -6.616 118 HE21 GLN 20 1HE2 GLN 20 -13.965 0.472 -8.567 119 HE22 GLN 20 2HE2 GLN 20 -13.990 -0.875 -9.648 120 H LEU 21 H LEU 21 -9.620 -0.055 -3.690 121 HA LEU 21 HA LEU 21 -6.843 0.335 -4.577 122 HB2 LEU 21 1HB LEU 21 -8.150 1.195 -2.091 123 HB3 LEU 21 2HB LEU 21 -6.607 0.372 -1.872 124 HG LEU 21 HG LEU 21 -6.745 2.606 -3.834 125 HD11 LEU 21 1HD1 LEU 21 -7.901 3.181 -1.553 126 HD12 LEU 21 2HD1 LEU 21 -6.760 4.302 -2.294 127 HD13 LEU 21 3HD1 LEU 21 -6.238 3.257 -0.972 128 HD21 LEU 21 3HD2 LEU 21 -4.566 2.393 -1.887 129 HD22 LEU 21 1HD2 LEU 21 -4.511 2.577 -3.640 130 HD23 LEU 21 2HD2 LEU 21 -4.756 0.981 -2.929 131 H LEU 22 H LEU 22 -5.364 -1.268 -3.968 132 HA LEU 22 HA LEU 22 -6.557 -3.867 -3.544 133 HB2 LEU 22 1HB LEU 22 -4.591 -3.196 -5.120 134 HB3 LEU 22 2HB LEU 22 -3.611 -3.382 -3.667 135 HG LEU 22 HG LEU 22 -4.330 -5.721 -3.491 136 HD11 LEU 22 1HD1 LEU 22 -6.406 -5.959 -4.422 137 HD12 LEU 22 2HD1 LEU 22 -5.401 -6.579 -5.731 138 HD13 LEU 22 3HD1 LEU 22 -6.029 -4.932 -5.805 139 HD21 LEU 22 3HD2 LEU 22 -2.283 -5.296 -4.656 140 HD22 LEU 22 1HD2 LEU 22 -3.150 -4.892 -6.138 141 HD23 LEU 22 2HD2 LEU 22 -3.163 -6.549 -5.532 142 H MET 23 H MET 23 -5.893 -5.345 -1.897 143 HA MET 23 HA MET 23 -4.887 -4.018 0.535 144 HB2 MET 23 1HB MET 23 -6.801 -6.348 0.508 145 HB3 MET 23 2HB MET 23 -6.362 -5.328 1.871 146 HG2 MET 23 1HG MET 23 -7.477 -3.428 0.784 147 HG3 MET 23 2HG MET 23 -7.955 -4.489 -0.539 148 HE1 MET 23 3HE MET 23 -9.843 -3.089 2.817 149 HE2 MET 23 1HE MET 23 -9.213 -4.435 3.767 150 HE3 MET 23 2HE MET 23 -8.105 -3.387 2.881 151 H CYS 24 H CYS 24 -3.460 -5.150 1.841 152 HA CYS 24 HA CYS 24 -2.011 -7.277 0.495 153 HB2 CYS 24 1HB CYS 24 -0.768 -5.411 1.514 154 HB3 CYS 24 2HB CYS 24 -1.420 -5.842 3.092 155 H ASP 25 H ASP 25 -1.662 -9.331 1.319 156 HA ASP 25 HA ASP 25 -3.700 -10.242 3.205 157 HB2 ASP 25 1HB ASP 25 -2.938 -11.298 0.841 158 HB3 ASP 25 2HB ASP 25 -1.882 -12.200 1.924 159 H THR 26 H THR 26 -1.620 -8.758 4.337 160 HA THR 26 HA THR 26 -0.649 -10.655 6.276 161 HB THR 26 HB THR 26 1.671 -9.142 5.536 162 HG1 THR 26 HG1 THR 26 1.969 -9.793 3.453 163 HG21 THR 26 3HG2 THR 26 1.551 -11.277 6.829 164 HG22 THR 26 1HG2 THR 26 2.724 -11.301 5.513 165 HG23 THR 26 2HG2 THR 26 1.169 -12.110 5.322 166 H CYS 27 H CYS 27 0.342 -7.413 5.162 167 HA CYS 27 HA CYS 27 0.140 -6.430 7.894 168 HB2 CYS 27 1HB CYS 27 1.275 -4.457 7.097 169 HB3 CYS 27 2HB CYS 27 2.108 -5.874 6.464 170 H SER 28 H SER 28 -0.526 -3.820 7.593 171 HA SER 28 HA SER 28 -3.277 -3.930 6.538 172 HB2 SER 28 1HB SER 28 -2.205 -2.649 9.051 173 HB3 SER 28 2HB SER 28 -3.761 -2.193 8.357 174 HG SER 28 HG SER 28 -3.005 -4.520 9.661 175 H ARG 29 H ARG 29 -2.113 -3.153 4.559 176 HA ARG 29 HA ARG 29 -2.198 -0.238 4.513 177 HB2 ARG 29 1HB ARG 29 0.116 -1.700 3.250 178 HB3 ARG 29 2HB ARG 29 -0.083 0.034 3.462 179 HG2 ARG 29 1HG ARG 29 0.206 -0.171 5.840 180 HG3 ARG 29 2HG ARG 29 0.244 -1.931 5.718 181 HD2 ARG 29 1HD ARG 29 2.486 -1.489 5.798 182 HD3 ARG 29 2HD ARG 29 2.224 -1.435 4.055 183 HE ARG 29 HE ARG 29 1.852 1.133 4.814 184 HH11 ARG 29 1HH1 ARG 29 4.398 -1.177 5.362 185 HH12 ARG 29 2HH1 ARG 29 5.645 0.023 5.452 186 HH21 ARG 29 1HH2 ARG 29 3.484 2.722 4.930 187 HH22 ARG 29 2HH2 ARG 29 5.123 2.241 5.207 188 H VAL 30 H VAL 30 -2.741 0.635 2.514 189 HA VAL 30 HA VAL 30 -3.618 -1.335 0.505 190 HB VAL 30 HB VAL 30 -5.256 0.369 -0.235 191 HG11 VAL 30 1HG1 VAL 30 -6.296 -1.161 1.114 192 HG12 VAL 30 2HG1 VAL 30 -5.281 -0.786 2.509 193 HG13 VAL 30 3HG1 VAL 30 -6.580 0.312 2.041 194 HG21 VAL 30 3HG2 VAL 30 -4.211 2.400 0.446 195 HG22 VAL 30 1HG2 VAL 30 -5.719 2.259 1.350 196 HG23 VAL 30 2HG2 VAL 30 -4.183 1.891 2.134 197 H TYR 31 H TYR 31 -3.259 -0.922 -1.681 198 HA TYR 31 HA TYR 31 -1.737 1.437 -2.442 199 HB2 TYR 31 1HB TYR 31 -0.653 -1.343 -2.937 200 HB3 TYR 31 2HB TYR 31 0.085 0.173 -3.442 201 HD1 TYR 31 HD1 TYR 31 0.931 1.758 -1.670 202 HD2 TYR 31 HD2 TYR 31 -0.254 -2.232 -0.789 203 HE1 TYR 31 HE1 TYR 31 2.178 1.862 0.447 204 HE2 TYR 31 HE2 TYR 31 0.989 -2.139 1.331 205 HH TYR 31 HH TYR 31 2.224 0.780 2.612 206 H HIS 32 H HIS 32 -2.190 2.088 -4.465 207 HA HIS 32 HA HIS 32 -4.343 1.025 -5.883 208 HB2 HIS 32 1HB HIS 32 -2.209 3.019 -6.482 209 HB3 HIS 32 2HB HIS 32 -3.168 2.412 -7.829 210 HD2 HIS 32 HD2 HIS 32 -5.980 2.386 -5.818 211 HE1 HIS 32 HE1 HIS 32 -5.371 6.573 -6.119 212 HE2 HIS 32 HE2 HIS 32 -6.972 4.747 -5.454 213 H LEU 33 H LEU 33 -3.961 0.594 -8.413 214 HA LEU 33 HA LEU 33 -2.408 -1.868 -8.488 215 HB2 LEU 33 1HB LEU 33 -4.585 -0.676 -10.135 216 HB3 LEU 33 2HB LEU 33 -3.527 -1.877 -10.872 217 HG LEU 33 HG LEU 33 -5.165 -2.333 -8.380 218 HD11 LEU 33 1HD1 LEU 33 -6.566 -3.744 -9.849 219 HD12 LEU 33 2HD1 LEU 33 -5.680 -3.125 -11.242 220 HD13 LEU 33 3HD1 LEU 33 -6.645 -2.029 -10.253 221 HD21 LEU 33 3HD2 LEU 33 -4.584 -4.765 -9.436 222 HD22 LEU 33 1HD2 LEU 33 -3.668 -3.990 -8.144 223 HD23 LEU 33 2HD2 LEU 33 -3.114 -3.867 -9.814 224 H ASP 34 H ASP 34 -2.328 1.365 -9.725 225 HA ASP 34 HA ASP 34 -0.160 0.684 -11.579 226 HB2 ASP 34 1HB ASP 34 -1.872 3.150 -11.266 227 HB3 ASP 34 2HB ASP 34 -0.449 3.106 -12.304 228 H CYS 35 H CYS 35 -0.769 2.093 -8.517 229 HA CYS 35 HA CYS 35 1.841 3.420 -8.456 230 HB2 CYS 35 1HB CYS 35 -0.258 3.412 -6.285 231 HB3 CYS 35 2HB CYS 35 1.102 4.515 -6.461 232 H LEU 36 H LEU 36 2.431 0.916 -8.648 233 HA LEU 36 HA LEU 36 2.945 -0.022 -5.902 234 HB2 LEU 36 1HB LEU 36 2.267 -1.535 -8.395 235 HB3 LEU 36 2HB LEU 36 3.162 -2.309 -7.089 236 HG LEU 36 HG LEU 36 0.394 -1.126 -6.877 237 HD11 LEU 36 1HD1 LEU 36 1.344 -3.692 -7.746 238 HD12 LEU 36 2HD1 LEU 36 -0.305 -3.071 -7.679 239 HD13 LEU 36 3HD1 LEU 36 0.400 -3.855 -6.265 240 HD21 LEU 36 3HD2 LEU 36 1.461 -0.877 -4.772 241 HD22 LEU 36 1HD2 LEU 36 2.176 -2.487 -4.869 242 HD23 LEU 36 2HD2 LEU 36 0.434 -2.307 -4.656 243 H ASP 37 H ASP 37 4.825 -1.816 -6.131 244 HA ASP 37 HA ASP 37 6.924 -0.917 -7.931 245 HB2 ASP 37 1HB ASP 37 6.905 0.400 -5.650 246 HB3 ASP 37 2HB ASP 37 7.652 -1.072 -5.033 247 HA PRO 38 HA PRO 38 7.517 -1.847 -9.455 248 HB2 PRO 38 1HB PRO 38 6.759 -3.766 -11.220 249 HB3 PRO 38 2HB PRO 38 8.425 -3.578 -10.662 250 HG2 PRO 38 1HG PRO 38 6.323 -5.499 -9.739 251 HG3 PRO 38 2HG PRO 38 8.043 -5.791 -10.060 252 HD2 PRO 38 1HD PRO 38 7.065 -5.452 -7.558 253 HD3 PRO 38 2HD PRO 38 8.698 -4.934 -8.024 254 HA PRO 39 HA PRO 39 3.264 -0.856 -9.963 255 HB2 PRO 39 1HB PRO 39 3.090 -0.272 -12.609 256 HB3 PRO 39 2HB PRO 39 3.908 0.778 -11.445 257 HG2 PRO 39 1HG PRO 39 5.078 -1.221 -13.342 258 HG3 PRO 39 2HG PRO 39 5.642 0.414 -12.951 259 HD2 PRO 39 1HD PRO 39 6.760 -1.806 -11.879 260 HD3 PRO 39 2HD PRO 39 6.662 -0.267 -11.000 261 H LEU 40 H LEU 40 1.245 -1.595 -10.715 262 HA LEU 40 HA LEU 40 1.325 -4.192 -12.107 263 HB2 LEU 40 1HB LEU 40 -0.007 -3.332 -9.640 264 HB3 LEU 40 2HB LEU 40 -1.040 -4.224 -10.754 265 HG LEU 40 HG LEU 40 1.563 -5.205 -9.582 266 HD11 LEU 40 1HD1 LEU 40 -0.841 -6.715 -9.005 267 HD12 LEU 40 2HD1 LEU 40 -0.931 -5.063 -8.396 268 HD13 LEU 40 3HD1 LEU 40 0.404 -6.109 -7.913 269 HD21 LEU 40 3HD2 LEU 40 1.464 -6.309 -11.598 270 HD22 LEU 40 1HD2 LEU 40 -0.299 -6.295 -11.644 271 HD23 LEU 40 2HD2 LEU 40 0.546 -7.403 -10.563 272 H LYS 41 H LYS 41 -1.084 -4.705 -12.863 273 HA LYS 41 HA LYS 41 -2.271 -2.312 -14.069 274 HB2 LYS 41 1HB LYS 41 -0.751 -3.228 -15.751 275 HB3 LYS 41 2HB LYS 41 -1.505 -4.809 -15.593 276 HG2 LYS 41 1HG LYS 41 -2.418 -3.893 -17.538 277 HG3 LYS 41 2HG LYS 41 -3.667 -3.677 -16.309 278 HD2 LYS 41 1HD LYS 41 -2.970 -1.360 -15.994 279 HD3 LYS 41 2HD LYS 41 -1.689 -1.573 -17.190 280 HE2 LYS 41 1HE LYS 41 -3.891 -2.405 -18.570 281 HE3 LYS 41 2HE LYS 41 -4.564 -1.130 -17.556 282 HZ1 LYS 41 3HZ LYS 41 -3.867 0.043 -19.379 283 HZ2 LYS 41 1HZ LYS 41 -2.523 -0.945 -19.661 284 HZ3 LYS 41 2HZ LYS 41 -2.498 0.176 -18.395 285 H THR 42 H THR 42 -2.745 -5.825 -14.418 286 HA THR 42 HA THR 42 -5.594 -5.452 -13.902 287 HB THR 42 HB THR 42 -5.928 -7.661 -14.765 288 HG1 THR 42 HG1 THR 42 -4.203 -9.045 -15.193 289 HG21 THR 42 3HG2 THR 42 -3.756 -6.558 -16.522 290 HG22 THR 42 1HG2 THR 42 -5.303 -5.732 -16.347 291 HG23 THR 42 2HG2 THR 42 -5.248 -7.374 -16.989 292 H ILE 43 H ILE 43 -6.394 -7.798 -12.859 293 HA ILE 43 HA ILE 43 -5.705 -7.526 -10.108 294 HB ILE 43 HB ILE 43 -7.312 -9.700 -11.456 295 HG12 ILE 43 1HG1 ILE 43 -8.214 -7.158 -10.082 296 HG13 ILE 43 2HG1 ILE 43 -8.234 -7.441 -11.819 297 HG21 ILE 43 1HG2 ILE 43 -7.474 -10.676 -9.471 298 HG22 ILE 43 2HG2 ILE 43 -6.348 -9.491 -8.811 299 HG23 ILE 43 3HG2 ILE 43 -8.083 -9.181 -8.761 300 HD11 ILE 43 3HD1 ILE 43 -10.410 -7.865 -11.255 301 HD12 ILE 43 1HD1 ILE 43 -9.717 -9.484 -11.179 302 HD13 ILE 43 2HD1 ILE 43 -9.985 -8.569 -9.695 303 HA PRO 44 HA PRO 44 -2.148 -10.235 -10.381 304 HB2 PRO 44 1HB PRO 44 -1.386 -9.894 -7.797 305 HB3 PRO 44 2HB PRO 44 -1.056 -8.703 -9.061 306 HG2 PRO 44 1HG PRO 44 -3.230 -8.729 -7.004 307 HG3 PRO 44 2HG PRO 44 -2.221 -7.377 -7.548 308 HD2 PRO 44 1HD PRO 44 -4.755 -7.749 -8.427 309 HD3 PRO 44 2HD PRO 44 -3.489 -7.028 -9.441 310 H LYS 45 H LYS 45 -3.471 -12.130 -10.642 311 HA LYS 45 HA LYS 45 -4.949 -13.423 -8.704 312 HB2 LYS 45 1HB LYS 45 -4.014 -14.016 -11.281 313 HB3 LYS 45 2HB LYS 45 -3.451 -15.339 -10.269 314 HG2 LYS 45 1HG LYS 45 -5.459 -16.252 -10.386 315 HG3 LYS 45 2HG LYS 45 -6.132 -14.849 -9.553 316 HD2 LYS 45 1HD LYS 45 -5.602 -14.732 -12.494 317 HD3 LYS 45 2HD LYS 45 -7.054 -15.534 -11.891 318 HE2 LYS 45 1HE LYS 45 -7.001 -13.166 -10.481 319 HE3 LYS 45 2HE LYS 45 -6.420 -12.696 -12.077 320 HZ1 LYS 45 3HZ LYS 45 -8.963 -12.759 -11.532 321 HZ2 LYS 45 1HZ LYS 45 -8.798 -14.400 -11.907 322 HZ3 LYS 45 2HZ LYS 45 -8.395 -13.226 -13.055 323 H GLY 46 H GLY 46 -4.396 -15.473 -7.552 324 HA2 GLY 46 1HA GLY 46 -3.100 -16.700 -6.095 325 HA3 GLY 46 2HA GLY 46 -1.679 -16.041 -6.891 326 H MET 47 H MET 47 -1.841 -16.472 -4.125 327 HA MET 47 HA MET 47 -2.615 -14.344 -2.547 328 HB2 MET 47 1HB MET 47 -1.806 -16.441 -1.610 329 HB3 MET 47 2HB MET 47 -0.191 -16.124 -2.231 330 HG2 MET 47 1HG MET 47 -0.069 -14.130 -0.778 331 HG3 MET 47 2HG MET 47 -1.640 -14.562 -0.107 332 HE1 MET 47 3HE MET 47 1.232 -14.985 2.446 333 HE2 MET 47 1HE MET 47 0.021 -13.916 1.738 334 HE3 MET 47 2HE MET 47 -0.476 -15.221 2.816 335 H TRP 48 H TRP 48 -2.232 -12.284 -3.123 336 HA TRP 48 HA TRP 48 0.405 -11.505 -4.089 337 HB2 TRP 48 1HB TRP 48 -1.619 -10.656 -5.235 338 HB3 TRP 48 2HB TRP 48 -2.101 -9.842 -3.748 339 HD1 TRP 48 HD1 TRP 48 0.502 -9.637 -6.560 340 HE1 TRP 48 HE1 TRP 48 1.529 -7.277 -6.550 341 HE3 TRP 48 HE3 TRP 48 -1.637 -7.839 -2.279 342 HZ2 TRP 48 HZ2 TRP 48 1.444 -4.960 -4.941 343 HZ3 TRP 48 HZ3 TRP 48 -1.112 -5.541 -1.574 344 HH2 TRP 48 HH2 TRP 48 0.398 -4.133 -2.878 345 H ILE 49 H ILE 49 1.726 -9.992 -3.077 346 HA ILE 49 HA ILE 49 0.963 -9.099 -0.395 347 HB ILE 49 HB ILE 49 3.580 -10.488 -0.986 348 HG12 ILE 49 1HG1 ILE 49 1.281 -11.383 0.765 349 HG13 ILE 49 2HG1 ILE 49 1.615 -12.013 -0.844 350 HG21 ILE 49 1HG2 ILE 49 3.984 -8.805 0.624 351 HG22 ILE 49 2HG2 ILE 49 2.488 -9.166 1.483 352 HG23 ILE 49 3HG2 ILE 49 3.826 -10.313 1.524 353 HD11 ILE 49 3HD1 ILE 49 3.057 -13.467 -0.019 354 HD12 ILE 49 1HD1 ILE 49 3.969 -12.183 0.773 355 HD13 ILE 49 2HD1 ILE 49 2.605 -12.935 1.600 356 H CYS 50 H CYS 50 1.460 -7.032 -0.072 357 HA CYS 50 HA CYS 50 2.482 -5.353 -2.009 358 HB2 CYS 50 1HB CYS 50 2.577 -3.650 -0.338 359 HB3 CYS 50 2HB CYS 50 1.214 -4.689 0.068 360 HA PRO 51 HA PRO 51 6.849 -5.805 -2.023 361 HB2 PRO 51 1HB PRO 51 7.633 -3.269 -2.589 362 HB3 PRO 51 2HB PRO 51 6.874 -4.328 -3.783 363 HG2 PRO 51 1HG PRO 51 5.652 -2.145 -2.139 364 HG3 PRO 51 2HG PRO 51 5.410 -2.523 -3.854 365 HD2 PRO 51 1HD PRO 51 3.642 -3.254 -1.938 366 HD3 PRO 51 2HD PRO 51 3.921 -4.223 -3.400 367 H ARG 52 H ARG 52 5.272 -3.817 0.257 368 HA ARG 52 HA ARG 52 7.636 -2.926 1.635 369 HB2 ARG 52 1HB ARG 52 4.775 -2.475 1.808 370 HB3 ARG 52 2HB ARG 52 5.482 -2.727 3.398 371 HG2 ARG 52 1HG ARG 52 6.429 -0.706 1.376 372 HG3 ARG 52 2HG ARG 52 5.404 -0.361 2.771 373 HD2 ARG 52 1HD ARG 52 7.296 0.023 3.889 374 HD3 ARG 52 2HD ARG 52 7.534 -1.724 3.866 375 HE ARG 52 HE ARG 52 9.246 -1.427 2.383 376 HH11 ARG 52 1HH1 ARG 52 7.291 1.453 2.441 377 HH12 ARG 52 2HH1 ARG 52 8.369 2.362 1.434 378 HH21 ARG 52 1HH2 ARG 52 10.673 -0.241 1.057 379 HH22 ARG 52 2HH2 ARG 52 10.292 1.397 0.647 380 H CYS 53 H CYS 53 5.597 -5.709 1.689 381 HA CYS 53 HA CYS 53 6.468 -6.573 4.315 382 HB2 CYS 53 1HB CYS 53 4.597 -7.638 2.235 383 HB3 CYS 53 2HB CYS 53 5.213 -8.728 3.473 384 H GLN 54 H GLN 54 6.778 -7.801 0.982 385 HA GLN 54 HA GLN 54 8.471 -9.925 1.463 386 HB2 GLN 54 1HB GLN 54 8.343 -8.066 -0.912 387 HB3 GLN 54 2HB GLN 54 9.295 -9.544 -0.889 388 HG2 GLN 54 1HG GLN 54 6.483 -9.867 -0.117 389 HG3 GLN 54 2HG GLN 54 6.752 -9.365 -1.785 390 HE21 GLN 54 1HE2 GLN 54 6.870 -10.979 -3.153 391 HE22 GLN 54 2HE2 GLN 54 7.472 -12.563 -2.821 392 H ASP 55 H ASP 55 9.194 -6.512 1.358 393 HA ASP 55 HA ASP 55 12.033 -6.809 1.216 394 HB2 ASP 55 1HB ASP 55 10.112 -4.617 1.402 395 HB3 ASP 55 2HB ASP 55 11.567 -4.326 2.351 396 H GLN 56 H GLN 56 13.553 -6.706 2.840 397 HA GLN 56 HA GLN 56 12.980 -7.892 5.279 398 HB2 GLN 56 1HB GLN 56 15.221 -7.214 5.976 399 HB3 GLN 56 2HB GLN 56 15.234 -7.800 4.318 400 HG2 GLN 56 1HG GLN 56 15.689 -5.743 3.441 401 HG3 GLN 56 2HG GLN 56 14.929 -4.883 4.780 402 HE21 GLN 56 1HE2 GLN 56 17.826 -6.153 3.500 403 HE22 GLN 56 2HE2 GLN 56 18.873 -5.687 4.792 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -26.828 3.203 12.505 2 HA2 GLY 1 1HA GLY 1 -24.784 2.169 12.365 3 HA3 GLY 1 2HA GLY 1 -24.433 3.320 11.085 4 H SER 2 H SER 2 -22.672 4.484 11.412 5 HA SER 2 HA SER 2 -20.972 5.605 12.425 6 HB2 SER 2 1HB SER 2 -22.623 5.945 14.906 7 HB3 SER 2 2HB SER 2 -21.512 7.082 14.142 8 HG SER 2 HG SER 2 -24.097 7.038 13.887 9 H SER 3 H SER 3 -19.982 3.425 12.483 10 HA SER 3 HA SER 3 -19.198 2.786 15.219 11 HB2 SER 3 1HB SER 3 -19.609 0.375 13.592 12 HB3 SER 3 2HB SER 3 -20.019 0.680 15.280 13 HG SER 3 HG SER 3 -21.490 1.798 13.138 14 H GLY 4 H GLY 4 -17.911 4.095 12.954 15 HA2 GLY 4 1HA GLY 4 -15.699 4.165 12.256 16 HA3 GLY 4 2HA GLY 4 -15.448 2.592 12.999 17 H SER 5 H SER 5 -14.174 2.723 10.783 18 HA SER 5 HA SER 5 -15.916 1.609 8.684 19 HB2 SER 5 1HB SER 5 -14.095 3.702 8.516 20 HB3 SER 5 2HB SER 5 -13.227 2.334 7.819 21 HG SER 5 HG SER 5 -14.726 2.155 6.259 22 H SER 6 H SER 6 -12.687 1.292 10.140 23 HA SER 6 HA SER 6 -11.330 -0.507 10.458 24 HB2 SER 6 1HB SER 6 -13.818 -1.405 11.111 25 HB3 SER 6 2HB SER 6 -13.372 -2.546 9.843 26 HG SER 6 HG SER 6 -12.726 -2.922 12.193 27 H GLY 7 H GLY 7 -10.664 -2.701 9.347 28 HA2 GLY 7 1HA GLY 7 -10.171 -3.883 7.403 29 HA3 GLY 7 2HA GLY 7 -11.213 -2.790 6.505 30 H HIS 8 H HIS 8 -8.391 -2.114 8.555 31 HA HIS 8 HA HIS 8 -6.464 -0.975 8.150 32 HB2 HIS 8 1HB HIS 8 -6.734 -1.960 5.307 33 HB3 HIS 8 2HB HIS 8 -5.254 -1.509 6.147 34 HD2 HIS 8 HD2 HIS 8 -5.929 -4.585 4.880 35 HE1 HIS 8 HE1 HIS 8 -5.701 -5.655 8.979 36 HE2 HIS 8 HE2 HIS 8 -5.563 -6.479 6.603 37 H GLU 9 H GLU 9 -5.461 0.495 6.119 38 HA GLU 9 HA GLU 9 -6.915 2.879 6.252 39 HB2 GLU 9 1HB GLU 9 -4.914 2.203 4.098 40 HB3 GLU 9 2HB GLU 9 -5.311 3.792 4.737 41 HG2 GLU 9 1HG GLU 9 -4.426 2.947 6.963 42 HG3 GLU 9 2HG GLU 9 -3.763 1.589 6.056 43 H ASP 10 H ASP 10 -7.234 4.076 3.935 44 HA ASP 10 HA ASP 10 -8.690 2.370 2.085 45 HB2 ASP 10 1HB ASP 10 -9.997 4.547 3.714 46 HB3 ASP 10 2HB ASP 10 -10.682 3.956 2.203 47 H PHE 11 H PHE 11 -6.297 4.134 2.104 48 HA PHE 11 HA PHE 11 -6.966 5.622 -0.310 49 HB2 PHE 11 1HB PHE 11 -5.433 6.965 1.916 50 HB3 PHE 11 2HB PHE 11 -6.034 7.691 0.429 51 HD1 PHE 11 HD2 PHE 11 -6.908 6.529 3.779 52 HD2 PHE 11 HD1 PHE 11 -8.363 8.289 0.187 53 HE1 PHE 11 HE2 PHE 11 -8.970 7.192 4.944 54 HE2 PHE 11 HE1 PHE 11 -10.428 8.956 1.347 55 HZ PHE 11 HZ PHE 11 -10.734 8.406 3.728 56 H CYS 12 H CYS 12 -5.292 5.797 -1.754 57 HA CYS 12 HA CYS 12 -3.281 3.908 -1.750 58 HB2 CYS 12 1HB CYS 12 -4.068 5.183 -3.741 59 HB3 CYS 12 2HB CYS 12 -3.181 6.586 -3.153 60 H SER 13 H SER 13 -1.225 3.784 -1.023 61 HA SER 13 HA SER 13 -0.349 5.884 0.809 62 HB2 SER 13 1HB SER 13 0.372 2.996 0.427 63 HB3 SER 13 2HB SER 13 1.472 4.070 1.292 64 HG SER 13 HG SER 13 -1.127 3.251 1.976 65 H VAL 14 H VAL 14 -0.208 6.508 -1.931 66 HA VAL 14 HA VAL 14 2.641 7.044 -2.151 67 HB VAL 14 HB VAL 14 1.125 5.676 -4.379 68 HG11 VAL 14 1HG1 VAL 14 2.543 7.142 -5.482 69 HG12 VAL 14 2HG1 VAL 14 3.805 7.004 -4.257 70 HG13 VAL 14 3HG1 VAL 14 3.512 5.673 -5.377 71 HG21 VAL 14 3HG2 VAL 14 3.377 4.745 -2.605 72 HG22 VAL 14 1HG2 VAL 14 1.753 4.068 -2.724 73 HG23 VAL 14 2HG2 VAL 14 2.874 3.915 -4.077 74 H CYS 15 H CYS 15 -0.556 7.397 -3.652 75 HA CYS 15 HA CYS 15 0.187 10.151 -4.394 76 HB2 CYS 15 1HB CYS 15 -1.381 10.018 -6.229 77 HB3 CYS 15 2HB CYS 15 -0.282 8.645 -6.321 78 H ARG 16 H ARG 16 -2.050 8.114 -2.722 79 HA ARG 16 HA ARG 16 -3.767 8.554 -1.297 80 HB2 ARG 16 1HB ARG 16 -2.109 10.962 -1.229 81 HB3 ARG 16 2HB ARG 16 -3.792 11.273 -0.824 82 HG2 ARG 16 1HG ARG 16 -2.481 8.963 0.487 83 HG3 ARG 16 2HG ARG 16 -1.992 10.582 0.994 84 HD2 ARG 16 1HD ARG 16 -4.760 10.708 0.873 85 HD3 ARG 16 2HD ARG 16 -4.430 9.115 1.554 86 HE ARG 16 HE ARG 16 -4.059 11.640 2.834 87 HH11 ARG 16 1HH1 ARG 16 -2.863 8.375 2.653 88 HH12 ARG 16 2HH1 ARG 16 -2.228 8.380 4.265 89 HH21 ARG 16 1HH2 ARG 16 -3.227 11.658 4.958 90 HH22 ARG 16 2HH2 ARG 16 -2.436 10.247 5.576 91 H LYS 17 H LYS 17 -5.301 8.048 -2.914 92 HA LYS 17 HA LYS 17 -6.892 10.362 -3.740 93 HB2 LYS 17 1HB LYS 17 -5.472 8.518 -5.522 94 HB3 LYS 17 2HB LYS 17 -7.183 8.674 -5.894 95 HG2 LYS 17 1HG LYS 17 -6.943 11.086 -6.081 96 HG3 LYS 17 2HG LYS 17 -5.233 10.957 -5.661 97 HD2 LYS 17 1HD LYS 17 -4.678 9.977 -7.686 98 HD3 LYS 17 2HD LYS 17 -6.324 9.411 -7.978 99 HE2 LYS 17 1HE LYS 17 -5.829 12.343 -7.834 100 HE3 LYS 17 2HE LYS 17 -5.321 11.475 -9.282 101 HZ1 LYS 17 3HZ LYS 17 -7.857 10.576 -8.784 102 HZ2 LYS 17 1HZ LYS 17 -7.405 11.694 -9.971 103 HZ3 LYS 17 2HZ LYS 17 -7.942 12.234 -8.461 104 H SER 18 H SER 18 -9.007 9.431 -4.846 105 HA SER 18 HA SER 18 -10.045 7.417 -2.975 106 HB2 SER 18 1HB SER 18 -12.210 8.374 -3.277 107 HB3 SER 18 2HB SER 18 -11.097 9.726 -3.071 108 HG SER 18 HG SER 18 -11.114 10.016 -5.314 109 H GLY 19 H GLY 19 -11.345 5.707 -3.712 110 HA2 GLY 19 1HA GLY 19 -12.484 4.903 -5.880 111 HA3 GLY 19 2HA GLY 19 -10.856 5.011 -6.531 112 H GLN 20 H GLN 20 -10.854 2.786 -7.013 113 HA GLN 20 HA GLN 20 -11.166 0.874 -4.862 114 HB2 GLN 20 1HB GLN 20 -11.587 0.728 -7.554 115 HB3 GLN 20 2HB GLN 20 -10.020 -0.057 -7.409 116 HG2 GLN 20 1HG GLN 20 -11.047 -1.511 -5.626 117 HG3 GLN 20 2HG GLN 20 -12.607 -0.843 -6.103 118 HE21 GLN 20 1HE2 GLN 20 -11.167 -3.552 -6.307 119 HE22 GLN 20 2HE2 GLN 20 -11.472 -4.039 -7.936 120 H LEU 21 H LEU 21 -9.584 -0.015 -3.687 121 HA LEU 21 HA LEU 21 -6.803 0.363 -4.569 122 HB2 LEU 21 1HB LEU 21 -8.111 1.234 -2.089 123 HB3 LEU 21 2HB LEU 21 -6.581 0.390 -1.858 124 HG LEU 21 HG LEU 21 -6.659 2.615 -3.829 125 HD11 LEU 21 1HD1 LEU 21 -6.664 4.326 -2.293 126 HD12 LEU 21 2HD1 LEU 21 -6.237 3.268 -0.949 127 HD13 LEU 21 3HD1 LEU 21 -7.873 3.242 -1.606 128 HD21 LEU 21 3HD2 LEU 21 -4.705 0.987 -2.913 129 HD22 LEU 21 1HD2 LEU 21 -4.538 2.352 -1.808 130 HD23 LEU 21 2HD2 LEU 21 -4.426 2.609 -3.549 131 H LEU 22 H LEU 22 -5.334 -1.250 -3.960 132 HA LEU 22 HA LEU 22 -6.537 -3.845 -3.555 133 HB2 LEU 22 1HB LEU 22 -4.535 -3.154 -5.092 134 HB3 LEU 22 2HB LEU 22 -3.588 -3.386 -3.623 135 HG LEU 22 HG LEU 22 -4.344 -5.716 -3.512 136 HD11 LEU 22 1HD1 LEU 22 -6.249 -6.235 -4.536 137 HD12 LEU 22 2HD1 LEU 22 -5.330 -6.248 -6.041 138 HD13 LEU 22 3HD1 LEU 22 -6.189 -4.789 -5.545 139 HD21 LEU 22 3HD2 LEU 22 -3.254 -5.130 -6.255 140 HD22 LEU 22 1HD2 LEU 22 -2.966 -6.548 -5.248 141 HD23 LEU 22 2HD2 LEU 22 -2.290 -4.987 -4.784 142 H MET 23 H MET 23 -5.902 -5.332 -1.905 143 HA MET 23 HA MET 23 -4.927 -4.019 0.546 144 HB2 MET 23 1HB MET 23 -7.001 -6.202 0.283 145 HB3 MET 23 2HB MET 23 -6.360 -5.608 1.809 146 HG2 MET 23 1HG MET 23 -7.200 -3.315 0.538 147 HG3 MET 23 2HG MET 23 -8.422 -4.504 0.095 148 HE1 MET 23 3HE MET 23 -9.862 -2.879 0.961 149 HE2 MET 23 1HE MET 23 -10.737 -3.522 2.351 150 HE3 MET 23 2HE MET 23 -9.732 -2.084 2.531 151 H CYS 24 H CYS 24 -3.427 -5.081 1.777 152 HA CYS 24 HA CYS 24 -1.995 -7.227 0.470 153 HB2 CYS 24 1HB CYS 24 -0.775 -5.362 1.522 154 HB3 CYS 24 2HB CYS 24 -1.440 -5.816 3.088 155 H ASP 25 H ASP 25 -1.646 -9.286 1.285 156 HA ASP 25 HA ASP 25 -3.701 -10.217 3.143 157 HB2 ASP 25 1HB ASP 25 -3.098 -11.263 0.804 158 HB3 ASP 25 2HB ASP 25 -1.822 -12.061 1.719 159 H THR 26 H THR 26 -1.688 -8.755 4.353 160 HA THR 26 HA THR 26 -0.726 -10.655 6.273 161 HB THR 26 HB THR 26 1.635 -9.205 5.564 162 HG1 THR 26 HG1 THR 26 0.928 -10.930 3.460 163 HG21 THR 26 3HG2 THR 26 1.016 -12.151 5.327 164 HG22 THR 26 1HG2 THR 26 1.487 -11.339 6.820 165 HG23 THR 26 2HG2 THR 26 2.613 -11.416 5.465 166 H CYS 27 H CYS 27 0.329 -7.436 5.146 167 HA CYS 27 HA CYS 27 0.141 -6.436 7.872 168 HB2 CYS 27 1HB CYS 27 1.325 -4.504 7.084 169 HB3 CYS 27 2HB CYS 27 2.108 -5.924 6.398 170 H SER 28 H SER 28 -0.492 -3.821 7.566 171 HA SER 28 HA SER 28 -3.244 -3.895 6.510 172 HB2 SER 28 1HB SER 28 -3.587 -2.058 8.345 173 HB3 SER 28 2HB SER 28 -3.589 -3.760 8.806 174 HG SER 28 HG SER 28 -1.845 -3.437 9.930 175 H ARG 29 H ARG 29 -2.022 -3.142 4.538 176 HA ARG 29 HA ARG 29 -2.113 -0.230 4.469 177 HB2 ARG 29 1HB ARG 29 0.247 -1.695 3.295 178 HB3 ARG 29 2HB ARG 29 0.030 0.042 3.466 179 HG2 ARG 29 1HG ARG 29 0.066 -0.289 5.948 180 HG3 ARG 29 2HG ARG 29 0.521 -1.967 5.648 181 HD2 ARG 29 1HD ARG 29 2.565 -1.340 4.652 182 HD3 ARG 29 2HD ARG 29 2.062 0.344 4.502 183 HE ARG 29 HE ARG 29 2.024 -0.074 7.173 184 HH11 ARG 29 1HH1 ARG 29 4.415 -0.618 4.701 185 HH12 ARG 29 2HH1 ARG 29 5.760 -0.369 5.765 186 HH21 ARG 29 1HH2 ARG 29 3.787 0.256 8.582 187 HH22 ARG 29 2HH2 ARG 29 5.402 0.127 7.972 188 H VAL 30 H VAL 30 -2.850 0.576 2.564 189 HA VAL 30 HA VAL 30 -3.568 -1.398 0.507 190 HB VAL 30 HB VAL 30 -5.220 0.277 -0.268 191 HG11 VAL 30 1HG1 VAL 30 -6.190 0.203 2.400 192 HG12 VAL 30 2HG1 VAL 30 -6.626 -0.834 1.040 193 HG13 VAL 30 3HG1 VAL 30 -5.290 -1.284 2.100 194 HG21 VAL 30 3HG2 VAL 30 -4.038 2.280 0.540 195 HG22 VAL 30 1HG2 VAL 30 -5.714 2.229 1.088 196 HG23 VAL 30 2HG2 VAL 30 -4.409 1.814 2.200 197 H TYR 31 H TYR 31 -3.231 -0.951 -1.691 198 HA TYR 31 HA TYR 31 -1.694 1.406 -2.421 199 HB2 TYR 31 1HB TYR 31 -0.619 -1.367 -2.965 200 HB3 TYR 31 2HB TYR 31 0.134 0.159 -3.414 201 HD1 TYR 31 HD2 TYR 31 1.108 1.618 -1.664 202 HD2 TYR 31 HD1 TYR 31 -0.400 -2.257 -0.758 203 HE1 TYR 31 HE2 TYR 31 2.329 1.648 0.472 204 HE2 TYR 31 HE1 TYR 31 0.816 -2.236 1.380 205 HH TYR 31 HH TYR 31 2.343 -1.164 2.621 206 H HIS 32 H HIS 32 -2.139 2.081 -4.439 207 HA HIS 32 HA HIS 32 -4.291 1.043 -5.874 208 HB2 HIS 32 1HB HIS 32 -2.152 3.037 -6.437 209 HB3 HIS 32 2HB HIS 32 -3.094 2.443 -7.802 210 HD2 HIS 32 HD2 HIS 32 -5.947 2.397 -5.880 211 HE1 HIS 32 HE1 HIS 32 -5.307 6.588 -6.043 212 HE2 HIS 32 HE2 HIS 32 -6.937 4.753 -5.478 213 H LEU 33 H LEU 33 -3.908 0.633 -8.405 214 HA LEU 33 HA LEU 33 -2.362 -1.833 -8.502 215 HB2 LEU 33 1HB LEU 33 -4.560 -0.632 -10.098 216 HB3 LEU 33 2HB LEU 33 -3.485 -1.771 -10.905 217 HG LEU 33 HG LEU 33 -5.095 -2.371 -8.425 218 HD11 LEU 33 1HD1 LEU 33 -6.061 -3.978 -10.387 219 HD12 LEU 33 2HD1 LEU 33 -5.729 -2.497 -11.285 220 HD13 LEU 33 3HD1 LEU 33 -6.797 -2.457 -9.882 221 HD21 LEU 33 3HD2 LEU 33 -3.011 -3.809 -9.930 222 HD22 LEU 33 1HD2 LEU 33 -4.440 -4.752 -9.506 223 HD23 LEU 33 2HD2 LEU 33 -3.503 -3.956 -8.242 224 H ASP 34 H ASP 34 -2.266 1.413 -9.700 225 HA ASP 34 HA ASP 34 -0.099 0.742 -11.560 226 HB2 ASP 34 1HB ASP 34 -2.057 2.963 -11.351 227 HB3 ASP 34 2HB ASP 34 -0.459 3.375 -11.965 228 H CYS 35 H CYS 35 -0.709 2.124 -8.487 229 HA CYS 35 HA CYS 35 1.902 3.446 -8.411 230 HB2 CYS 35 1HB CYS 35 -0.200 3.421 -6.243 231 HB3 CYS 35 2HB CYS 35 1.163 4.524 -6.407 232 H LEU 36 H LEU 36 2.488 0.943 -8.625 233 HA LEU 36 HA LEU 36 3.001 -0.018 -5.887 234 HB2 LEU 36 1HB LEU 36 2.313 -1.512 -8.389 235 HB3 LEU 36 2HB LEU 36 3.208 -2.298 -7.091 236 HG LEU 36 HG LEU 36 0.444 -1.107 -6.865 237 HD11 LEU 36 1HD1 LEU 36 -0.263 -3.044 -7.678 238 HD12 LEU 36 2HD1 LEU 36 0.444 -3.841 -6.273 239 HD13 LEU 36 3HD1 LEU 36 1.385 -3.670 -7.755 240 HD21 LEU 36 3HD2 LEU 36 0.533 -2.398 -4.660 241 HD22 LEU 36 1HD2 LEU 36 1.411 -0.871 -4.748 242 HD23 LEU 36 2HD2 LEU 36 2.284 -2.398 -4.875 243 H ASP 37 H ASP 37 4.875 -1.817 -6.131 244 HA ASP 37 HA ASP 37 6.973 -0.915 -7.930 245 HB2 ASP 37 1HB ASP 37 6.973 0.404 -5.662 246 HB3 ASP 37 2HB ASP 37 7.685 -1.076 -5.025 247 HA PRO 38 HA PRO 38 7.563 -1.840 -9.459 248 HB2 PRO 38 1HB PRO 38 6.797 -3.749 -11.231 249 HB3 PRO 38 2HB PRO 38 8.464 -3.569 -10.675 250 HG2 PRO 38 1HG PRO 38 6.358 -5.487 -9.757 251 HG3 PRO 38 2HG PRO 38 8.076 -5.783 -10.081 252 HD2 PRO 38 1HD PRO 38 7.102 -5.452 -7.576 253 HD3 PRO 38 2HD PRO 38 8.736 -4.937 -8.042 254 HA PRO 39 HA PRO 39 3.311 -0.834 -9.958 255 HB2 PRO 39 1HB PRO 39 3.136 -0.240 -12.601 256 HB3 PRO 39 2HB PRO 39 3.959 0.803 -11.435 257 HG2 PRO 39 1HG PRO 39 5.121 -1.192 -13.340 258 HG3 PRO 39 2HG PRO 39 5.689 0.440 -12.945 259 HD2 PRO 39 1HD PRO 39 6.802 -1.788 -11.882 260 HD3 PRO 39 2HD PRO 39 6.710 -0.252 -10.997 261 H LEU 40 H LEU 40 1.290 -1.565 -10.709 262 HA LEU 40 HA LEU 40 1.361 -4.161 -12.103 263 HB2 LEU 40 1HB LEU 40 0.030 -3.292 -9.641 264 HB3 LEU 40 2HB LEU 40 -1.014 -4.168 -10.759 265 HG LEU 40 HG LEU 40 1.573 -5.187 -9.585 266 HD11 LEU 40 1HD1 LEU 40 -0.827 -6.687 -9.012 267 HD12 LEU 40 2HD1 LEU 40 -0.945 -5.028 -8.426 268 HD13 LEU 40 3HD1 LEU 40 0.396 -6.051 -7.912 269 HD21 LEU 40 3HD2 LEU 40 -0.374 -6.357 -11.552 270 HD22 LEU 40 1HD2 LEU 40 0.704 -7.361 -10.582 271 HD23 LEU 40 2HD2 LEU 40 1.374 -6.178 -11.706 272 H LYS 41 H LYS 41 -1.049 -4.661 -12.869 273 HA LYS 41 HA LYS 41 -2.214 -2.263 -14.087 274 HB2 LYS 41 1HB LYS 41 -0.678 -3.216 -15.749 275 HB3 LYS 41 2HB LYS 41 -1.484 -4.773 -15.609 276 HG2 LYS 41 1HG LYS 41 -2.443 -3.926 -17.511 277 HG3 LYS 41 2HG LYS 41 -3.608 -3.427 -16.282 278 HD2 LYS 41 1HD LYS 41 -3.253 -1.532 -17.650 279 HD3 LYS 41 2HD LYS 41 -2.344 -1.235 -16.166 280 HE2 LYS 41 1HE LYS 41 -0.330 -1.399 -17.207 281 HE3 LYS 41 2HE LYS 41 -0.907 -2.591 -18.371 282 HZ1 LYS 41 3HZ LYS 41 -0.365 -0.366 -19.320 283 HZ2 LYS 41 1HZ LYS 41 -1.672 0.273 -18.457 284 HZ3 LYS 41 2HZ LYS 41 -1.936 -0.899 -19.647 285 H THR 42 H THR 42 -2.712 -5.772 -14.436 286 HA THR 42 HA THR 42 -5.559 -5.379 -13.929 287 HB THR 42 HB THR 42 -5.906 -7.588 -14.792 288 HG1 THR 42 HG1 THR 42 -4.182 -8.976 -15.227 289 HG21 THR 42 3HG2 THR 42 -3.743 -6.360 -16.497 290 HG22 THR 42 1HG2 THR 42 -5.388 -5.733 -16.411 291 HG23 THR 42 2HG2 THR 42 -5.095 -7.360 -17.026 292 H ILE 43 H ILE 43 -6.381 -7.719 -12.890 293 HA ILE 43 HA ILE 43 -5.697 -7.455 -10.136 294 HB ILE 43 HB ILE 43 -7.321 -9.611 -11.493 295 HG12 ILE 43 1HG1 ILE 43 -8.269 -7.394 -11.871 296 HG13 ILE 43 2HG1 ILE 43 -9.269 -8.294 -10.736 297 HG21 ILE 43 1HG2 ILE 43 -8.093 -9.099 -8.798 298 HG22 ILE 43 2HG2 ILE 43 -7.491 -10.594 -9.513 299 HG23 ILE 43 3HG2 ILE 43 -6.359 -9.418 -8.844 300 HD11 ILE 43 3HD1 ILE 43 -7.898 -5.778 -10.402 301 HD12 ILE 43 1HD1 ILE 43 -9.170 -6.511 -9.426 302 HD13 ILE 43 2HD1 ILE 43 -7.481 -6.924 -9.129 303 HA PRO 44 HA PRO 44 -2.162 -10.193 -10.402 304 HB2 PRO 44 1HB PRO 44 -1.404 -9.860 -7.817 305 HB3 PRO 44 2HB PRO 44 -1.061 -8.672 -9.079 306 HG2 PRO 44 1HG PRO 44 -3.240 -8.680 -7.028 307 HG3 PRO 44 2HG PRO 44 -2.218 -7.336 -7.568 308 HD2 PRO 44 1HD PRO 44 -4.753 -7.686 -8.453 309 HD3 PRO 44 2HD PRO 44 -3.479 -6.975 -9.464 310 H LYS 45 H LYS 45 -3.525 -12.067 -10.668 311 HA LYS 45 HA LYS 45 -5.006 -13.349 -8.724 312 HB2 LYS 45 1HB LYS 45 -3.369 -14.494 -10.986 313 HB3 LYS 45 2HB LYS 45 -4.447 -15.467 -9.994 314 HG2 LYS 45 1HG LYS 45 -5.976 -13.285 -10.832 315 HG3 LYS 45 2HG LYS 45 -5.049 -13.789 -12.246 316 HD2 LYS 45 1HD LYS 45 -5.920 -15.985 -12.153 317 HD3 LYS 45 2HD LYS 45 -6.571 -15.737 -10.531 318 HE2 LYS 45 1HE LYS 45 -8.213 -14.192 -11.376 319 HE3 LYS 45 2HE LYS 45 -7.499 -14.252 -12.986 320 HZ1 LYS 45 3HZ LYS 45 -9.578 -15.706 -12.336 321 HZ2 LYS 45 1HZ LYS 45 -8.379 -16.774 -11.800 322 HZ3 LYS 45 2HZ LYS 45 -8.405 -16.273 -13.416 323 H GLY 46 H GLY 46 -4.483 -15.384 -7.557 324 HA2 GLY 46 1HA GLY 46 -3.188 -16.646 -6.127 325 HA3 GLY 46 2HA GLY 46 -1.764 -16.000 -6.929 326 H MET 47 H MET 47 -1.917 -16.442 -4.163 327 HA MET 47 HA MET 47 -2.655 -14.312 -2.571 328 HB2 MET 47 1HB MET 47 -1.896 -16.373 -1.588 329 HB3 MET 47 2HB MET 47 -0.301 -16.186 -2.304 330 HG2 MET 47 1HG MET 47 0.319 -14.528 -0.818 331 HG3 MET 47 2HG MET 47 -1.349 -14.127 -0.415 332 HE1 MET 47 3HE MET 47 0.682 -15.316 2.705 333 HE2 MET 47 1HE MET 47 1.718 -15.993 1.447 334 HE3 MET 47 2HE MET 47 1.070 -14.361 1.273 335 H TRP 48 H TRP 48 -2.250 -12.254 -3.139 336 HA TRP 48 HA TRP 48 0.403 -11.507 -4.096 337 HB2 TRP 48 1HB TRP 48 -1.589 -10.649 -5.281 338 HB3 TRP 48 2HB TRP 48 -2.099 -9.829 -3.808 339 HD1 TRP 48 HD1 TRP 48 0.559 -9.640 -6.568 340 HE1 TRP 48 HE1 TRP 48 1.592 -7.282 -6.545 341 HE3 TRP 48 HE3 TRP 48 -1.659 -7.823 -2.335 342 HZ2 TRP 48 HZ2 TRP 48 1.482 -4.960 -4.943 343 HZ3 TRP 48 HZ3 TRP 48 -1.141 -5.524 -1.626 344 HH2 TRP 48 HH2 TRP 48 0.398 -4.125 -2.904 345 H ILE 49 H ILE 49 1.719 -9.988 -3.082 346 HA ILE 49 HA ILE 49 0.929 -9.075 -0.414 347 HB ILE 49 HB ILE 49 3.569 -10.439 -0.951 348 HG12 ILE 49 1HG1 ILE 49 1.247 -11.415 0.722 349 HG13 ILE 49 2HG1 ILE 49 1.598 -11.984 -0.906 350 HG21 ILE 49 1HG2 ILE 49 2.498 -8.830 1.264 351 HG22 ILE 49 2HG2 ILE 49 3.301 -10.326 1.737 352 HG23 ILE 49 3HG2 ILE 49 4.166 -9.127 0.777 353 HD11 ILE 49 3HD1 ILE 49 3.952 -12.195 0.692 354 HD12 ILE 49 1HD1 ILE 49 2.599 -12.959 1.526 355 HD13 ILE 49 2HD1 ILE 49 3.027 -13.465 -0.109 356 H CYS 50 H CYS 50 1.444 -7.011 -0.084 357 HA CYS 50 HA CYS 50 2.480 -5.341 -2.023 358 HB2 CYS 50 1HB CYS 50 2.573 -3.635 -0.357 359 HB3 CYS 50 2HB CYS 50 1.208 -4.669 0.052 360 HA PRO 51 HA PRO 51 6.844 -5.813 -2.020 361 HB2 PRO 51 1HB PRO 51 7.643 -3.281 -2.585 362 HB3 PRO 51 2HB PRO 51 6.882 -4.338 -3.781 363 HG2 PRO 51 1HG PRO 51 5.666 -2.148 -2.143 364 HG3 PRO 51 2HG PRO 51 5.428 -2.525 -3.859 365 HD2 PRO 51 1HD PRO 51 3.649 -3.247 -1.949 366 HD3 PRO 51 2HD PRO 51 3.929 -4.218 -3.408 367 H ARG 52 H ARG 52 5.276 -3.781 0.239 368 HA ARG 52 HA ARG 52 7.633 -2.906 1.627 369 HB2 ARG 52 1HB ARG 52 4.739 -2.531 1.863 370 HB3 ARG 52 2HB ARG 52 5.555 -2.648 3.416 371 HG2 ARG 52 1HG ARG 52 6.553 -0.808 1.275 372 HG3 ARG 52 2HG ARG 52 5.253 -0.332 2.368 373 HD2 ARG 52 1HD ARG 52 7.063 0.452 3.527 374 HD3 ARG 52 2HD ARG 52 6.938 -1.171 4.205 375 HE ARG 52 HE ARG 52 8.651 -1.074 1.921 376 HH11 ARG 52 1HH1 ARG 52 8.484 -0.464 5.345 377 HH12 ARG 52 2HH1 ARG 52 10.183 -0.685 5.599 378 HH21 ARG 52 1HH2 ARG 52 10.890 -1.367 2.244 379 HH22 ARG 52 2HH2 ARG 52 11.551 -1.198 3.835 380 H CYS 53 H CYS 53 5.578 -5.683 1.695 381 HA CYS 53 HA CYS 53 6.465 -6.547 4.315 382 HB2 CYS 53 1HB CYS 53 4.577 -7.614 2.250 383 HB3 CYS 53 2HB CYS 53 5.189 -8.695 3.498 384 H GLN 54 H GLN 54 6.759 -7.758 0.976 385 HA GLN 54 HA GLN 54 8.430 -9.904 1.439 386 HB2 GLN 54 1HB GLN 54 8.350 -8.022 -0.922 387 HB3 GLN 54 2HB GLN 54 9.245 -9.535 -0.907 388 HG2 GLN 54 1HG GLN 54 6.375 -9.648 -0.195 389 HG3 GLN 54 2HG GLN 54 6.786 -9.331 -1.880 390 HE21 GLN 54 1HE2 GLN 54 6.856 -11.076 -3.079 391 HE22 GLN 54 2HE2 GLN 54 7.315 -12.659 -2.561 392 H ASP 55 H ASP 55 9.183 -6.500 1.384 393 HA ASP 55 HA ASP 55 11.973 -7.160 2.059 394 HB2 ASP 55 1HB ASP 55 11.040 -4.739 0.502 395 HB3 ASP 55 2HB ASP 55 12.705 -5.131 0.920 396 H GLN 56 H GLN 56 11.706 -7.013 4.262 397 HA GLN 56 HA GLN 56 10.260 -5.029 5.614 398 HB2 GLN 56 1HB GLN 56 11.812 -7.269 6.309 399 HB3 GLN 56 2HB GLN 56 12.531 -5.906 7.158 400 HG2 GLN 56 1HG GLN 56 10.612 -5.487 8.381 401 HG3 GLN 56 2HG GLN 56 9.579 -6.353 7.245 402 HE21 GLN 56 1HE2 GLN 56 8.851 -8.201 7.984 403 HE22 GLN 56 2HE2 GLN 56 9.653 -9.247 9.100 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.655 6.642 25.043 2 HA2 GLY 1 1HA GLY 1 -10.236 5.300 25.995 3 HA3 GLY 1 2HA GLY 1 -11.633 5.293 27.061 4 H SER 2 H SER 2 -10.180 3.105 25.641 5 HA SER 2 HA SER 2 -10.666 1.136 24.612 6 HB2 SER 2 1HB SER 2 -12.772 1.612 26.248 7 HB3 SER 2 2HB SER 2 -13.599 1.531 24.693 8 HG SER 2 HG SER 2 -13.037 -0.534 24.476 9 H SER 3 H SER 3 -10.245 3.380 22.966 10 HA SER 3 HA SER 3 -12.025 2.779 20.694 11 HB2 SER 3 1HB SER 3 -10.658 5.368 21.447 12 HB3 SER 3 2HB SER 3 -11.397 5.089 19.870 13 HG SER 3 HG SER 3 -12.849 4.676 22.252 14 H GLY 4 H GLY 4 -10.423 0.985 20.409 15 HA2 GLY 4 1HA GLY 4 -7.790 1.749 19.465 16 HA3 GLY 4 2HA GLY 4 -8.430 0.116 19.571 17 H SER 5 H SER 5 -7.034 1.686 17.395 18 HA SER 5 HA SER 5 -9.071 1.695 15.305 19 HB2 SER 5 1HB SER 5 -7.603 3.602 15.284 20 HB3 SER 5 2HB SER 5 -6.175 2.568 15.322 21 HG SER 5 HG SER 5 -7.656 3.381 13.203 22 H SER 6 H SER 6 -9.342 0.078 13.916 23 HA SER 6 HA SER 6 -7.134 -1.761 13.375 24 HB2 SER 6 1HB SER 6 -9.870 -2.855 14.006 25 HB3 SER 6 2HB SER 6 -8.337 -3.721 13.909 26 HG SER 6 HG SER 6 -7.701 -2.778 15.823 27 H GLY 7 H GLY 7 -6.925 -1.312 11.251 28 HA2 GLY 7 1HA GLY 7 -8.874 -2.307 9.430 29 HA3 GLY 7 2HA GLY 7 -8.893 -0.550 9.461 30 H HIS 8 H HIS 8 -8.331 -1.577 7.105 31 HA HIS 8 HA HIS 8 -5.397 -1.543 6.864 32 HB2 HIS 8 1HB HIS 8 -7.552 -2.809 5.195 33 HB3 HIS 8 2HB HIS 8 -5.964 -2.478 4.510 34 HD2 HIS 8 HD2 HIS 8 -5.003 -5.038 4.392 35 HE1 HIS 8 HE1 HIS 8 -5.579 -6.013 8.480 36 HE2 HIS 8 HE2 HIS 8 -4.534 -6.720 6.300 37 H GLU 9 H GLU 9 -6.923 0.849 7.194 38 HA GLU 9 HA GLU 9 -7.121 2.942 6.325 39 HB2 GLU 9 1HB GLU 9 -5.197 2.020 4.190 40 HB3 GLU 9 2HB GLU 9 -5.472 3.666 4.743 41 HG2 GLU 9 1HG GLU 9 -4.740 2.223 7.020 42 HG3 GLU 9 2HG GLU 9 -3.655 1.682 5.740 43 H ASP 10 H ASP 10 -7.208 4.000 3.831 44 HA ASP 10 HA ASP 10 -8.803 2.410 2.048 45 HB2 ASP 10 1HB ASP 10 -10.070 4.444 3.847 46 HB3 ASP 10 2HB ASP 10 -10.709 4.204 2.224 47 H PHE 11 H PHE 11 -6.380 4.128 2.105 48 HA PHE 11 HA PHE 11 -7.017 5.676 -0.280 49 HB2 PHE 11 1HB PHE 11 -5.462 6.944 1.975 50 HB3 PHE 11 2HB PHE 11 -6.044 7.711 0.500 51 HD1 PHE 11 HD2 PHE 11 -8.467 8.137 0.208 52 HD2 PHE 11 HD1 PHE 11 -6.844 6.724 3.880 53 HE1 PHE 11 HE2 PHE 11 -10.522 8.821 1.375 54 HE2 PHE 11 HE1 PHE 11 -8.897 7.405 5.054 55 HZ PHE 11 HZ PHE 11 -10.738 8.457 3.801 56 H CYS 12 H CYS 12 -5.346 5.825 -1.725 57 HA CYS 12 HA CYS 12 -3.365 3.904 -1.741 58 HB2 CYS 12 1HB CYS 12 -4.136 5.204 -3.722 59 HB3 CYS 12 2HB CYS 12 -3.232 6.591 -3.124 60 H SER 13 H SER 13 -1.297 3.753 -1.043 61 HA SER 13 HA SER 13 -0.392 5.814 0.819 62 HB2 SER 13 1HB SER 13 -0.408 3.096 1.040 63 HB3 SER 13 2HB SER 13 1.246 3.381 0.498 64 HG SER 13 HG SER 13 0.771 3.453 2.861 65 H VAL 14 H VAL 14 -0.264 6.473 -1.917 66 HA VAL 14 HA VAL 14 2.588 6.995 -2.144 67 HB VAL 14 HB VAL 14 1.053 5.664 -4.382 68 HG11 VAL 14 1HG1 VAL 14 3.741 5.718 -5.037 69 HG12 VAL 14 2HG1 VAL 14 2.475 6.738 -5.722 70 HG13 VAL 14 3HG1 VAL 14 3.436 7.318 -4.361 71 HG21 VAL 14 3HG2 VAL 14 3.371 4.687 -2.716 72 HG22 VAL 14 1HG2 VAL 14 1.715 4.082 -2.664 73 HG23 VAL 14 2HG2 VAL 14 2.694 3.851 -4.113 74 H CYS 15 H CYS 15 -0.612 7.383 -3.633 75 HA CYS 15 HA CYS 15 0.143 10.143 -4.340 76 HB2 CYS 15 1HB CYS 15 -1.441 10.041 -6.168 77 HB3 CYS 15 2HB CYS 15 -0.338 8.674 -6.288 78 H ARG 16 H ARG 16 -2.085 8.100 -2.670 79 HA ARG 16 HA ARG 16 -3.801 8.530 -1.240 80 HB2 ARG 16 1HB ARG 16 -2.161 10.969 -1.173 81 HB3 ARG 16 2HB ARG 16 -3.832 11.207 -0.678 82 HG2 ARG 16 1HG ARG 16 -2.295 8.936 0.481 83 HG3 ARG 16 2HG ARG 16 -1.990 10.573 1.065 84 HD2 ARG 16 1HD ARG 16 -4.469 10.788 1.431 85 HD3 ARG 16 2HD ARG 16 -4.596 9.064 1.084 86 HE ARG 16 HE ARG 16 -3.708 8.607 3.153 87 HH11 ARG 16 1HH1 ARG 16 -3.292 11.985 2.422 88 HH12 ARG 16 2HH1 ARG 16 -2.768 12.401 4.020 89 HH21 ARG 16 1HH2 ARG 16 -3.020 9.141 5.261 90 HH22 ARG 16 2HH2 ARG 16 -2.613 10.782 5.634 91 H LYS 17 H LYS 17 -5.353 8.061 -2.847 92 HA LYS 17 HA LYS 17 -6.935 10.394 -3.625 93 HB2 LYS 17 1HB LYS 17 -5.593 8.507 -5.464 94 HB3 LYS 17 2HB LYS 17 -7.271 8.873 -5.841 95 HG2 LYS 17 1HG LYS 17 -5.155 10.968 -5.407 96 HG3 LYS 17 2HG LYS 17 -5.601 10.322 -6.988 97 HD2 LYS 17 1HD LYS 17 -8.026 11.009 -5.843 98 HD3 LYS 17 2HD LYS 17 -6.940 12.307 -5.341 99 HE2 LYS 17 1HE LYS 17 -6.214 12.327 -7.826 100 HE3 LYS 17 2HE LYS 17 -7.718 11.451 -8.104 101 HZ1 LYS 17 3HZ LYS 17 -7.599 14.041 -6.667 102 HZ2 LYS 17 1HZ LYS 17 -8.972 13.248 -7.258 103 HZ3 LYS 17 2HZ LYS 17 -7.856 13.923 -8.335 104 H SER 18 H SER 18 -9.038 9.456 -4.792 105 HA SER 18 HA SER 18 -10.083 7.414 -2.954 106 HB2 SER 18 1HB SER 18 -12.231 8.381 -3.205 107 HB3 SER 18 2HB SER 18 -11.128 9.749 -3.064 108 HG SER 18 HG SER 18 -12.505 8.789 -5.312 109 H GLY 19 H GLY 19 -11.402 5.727 -3.736 110 HA2 GLY 19 1HA GLY 19 -12.508 4.957 -5.930 111 HA3 GLY 19 2HA GLY 19 -10.870 5.069 -6.556 112 H GLN 20 H GLN 20 -10.741 2.883 -7.056 113 HA GLN 20 HA GLN 20 -11.143 0.921 -4.955 114 HB2 GLN 20 1HB GLN 20 -10.666 0.834 -7.892 115 HB3 GLN 20 2HB GLN 20 -10.185 -0.568 -6.945 116 HG2 GLN 20 1HG GLN 20 -12.273 -1.271 -7.195 117 HG3 GLN 20 2HG GLN 20 -12.712 -0.038 -6.014 118 HE21 GLN 20 1HE2 GLN 20 -13.617 1.900 -6.725 119 HE22 GLN 20 2HE2 GLN 20 -14.303 2.064 -8.302 120 H LEU 21 H LEU 21 -9.588 0.015 -3.756 121 HA LEU 21 HA LEU 21 -6.786 0.430 -4.550 122 HB2 LEU 21 1HB LEU 21 -8.169 1.235 -2.088 123 HB3 LEU 21 2HB LEU 21 -6.638 0.400 -1.836 124 HG LEU 21 HG LEU 21 -6.696 2.676 -3.752 125 HD11 LEU 21 1HD1 LEU 21 -6.730 4.341 -2.166 126 HD12 LEU 21 2HD1 LEU 21 -6.324 3.243 -0.847 127 HD13 LEU 21 3HD1 LEU 21 -7.948 3.232 -1.535 128 HD21 LEU 21 3HD2 LEU 21 -4.465 2.701 -3.417 129 HD22 LEU 21 1HD2 LEU 21 -4.742 1.041 -2.890 130 HD23 LEU 21 2HD2 LEU 21 -4.608 2.333 -1.697 131 H LEU 22 H LEU 22 -5.313 -1.174 -3.889 132 HA LEU 22 HA LEU 22 -6.515 -3.789 -3.577 133 HB2 LEU 22 1HB LEU 22 -4.494 -3.068 -5.070 134 HB3 LEU 22 2HB LEU 22 -3.568 -3.307 -3.590 135 HG LEU 22 HG LEU 22 -4.302 -5.646 -3.517 136 HD11 LEU 22 1HD1 LEU 22 -5.268 -6.322 -5.931 137 HD12 LEU 22 2HD1 LEU 22 -6.007 -4.733 -5.741 138 HD13 LEU 22 3HD1 LEU 22 -6.287 -5.985 -4.531 139 HD21 LEU 22 3HD2 LEU 22 -2.358 -4.587 -5.056 140 HD22 LEU 22 1HD2 LEU 22 -3.300 -5.441 -6.278 141 HD23 LEU 22 2HD2 LEU 22 -2.651 -6.320 -4.893 142 H MET 23 H MET 23 -5.894 -5.302 -1.943 143 HA MET 23 HA MET 23 -4.972 -4.024 0.547 144 HB2 MET 23 1HB MET 23 -6.991 -6.256 0.252 145 HB3 MET 23 2HB MET 23 -6.427 -5.582 1.775 146 HG2 MET 23 1HG MET 23 -7.314 -3.387 0.324 147 HG3 MET 23 2HG MET 23 -8.497 -4.652 -0.002 148 HE1 MET 23 3HE MET 23 -8.312 -1.698 1.797 149 HE2 MET 23 1HE MET 23 -9.866 -2.357 1.286 150 HE3 MET 23 2HE MET 23 -9.571 -2.016 2.991 151 H CYS 24 H CYS 24 -3.422 -5.044 1.719 152 HA CYS 24 HA CYS 24 -2.011 -7.210 0.424 153 HB2 CYS 24 1HB CYS 24 -0.766 -5.334 1.412 154 HB3 CYS 24 2HB CYS 24 -1.413 -5.737 2.999 155 H ASP 25 H ASP 25 -1.649 -9.255 1.261 156 HA ASP 25 HA ASP 25 -3.660 -10.155 3.182 157 HB2 ASP 25 1HB ASP 25 -2.900 -11.224 0.805 158 HB3 ASP 25 2HB ASP 25 -1.883 -12.144 1.911 159 H THR 26 H THR 26 -1.613 -8.675 4.316 160 HA THR 26 HA THR 26 -0.590 -10.562 6.227 161 HB THR 26 HB THR 26 1.718 -9.050 5.454 162 HG1 THR 26 HG1 THR 26 1.920 -9.521 3.361 163 HG21 THR 26 3HG2 THR 26 2.775 -11.018 5.856 164 HG22 THR 26 1HG2 THR 26 1.594 -11.962 4.949 165 HG23 THR 26 2HG2 THR 26 1.228 -11.436 6.592 166 H CYS 27 H CYS 27 0.384 -7.322 5.091 167 HA CYS 27 HA CYS 27 0.248 -6.330 7.820 168 HB2 CYS 27 1HB CYS 27 1.321 -4.343 6.976 169 HB3 CYS 27 2HB CYS 27 2.148 -5.746 6.308 170 H SER 28 H SER 28 -0.470 -3.729 7.534 171 HA SER 28 HA SER 28 -3.256 -3.885 6.581 172 HB2 SER 28 1HB SER 28 -2.150 -2.495 9.029 173 HB3 SER 28 2HB SER 28 -3.787 -2.250 8.420 174 HG SER 28 HG SER 28 -2.682 -4.745 9.208 175 H ARG 29 H ARG 29 -2.042 -3.089 4.588 176 HA ARG 29 HA ARG 29 -2.287 -0.185 4.518 177 HB2 ARG 29 1HB ARG 29 0.205 -1.681 3.697 178 HB3 ARG 29 2HB ARG 29 -0.140 -0.028 3.206 179 HG2 ARG 29 1HG ARG 29 1.038 0.516 5.027 180 HG3 ARG 29 2HG ARG 29 -0.459 0.155 5.890 181 HD2 ARG 29 1HD ARG 29 0.355 -2.206 6.119 182 HD3 ARG 29 2HD ARG 29 1.900 -1.669 5.461 183 HE ARG 29 HE ARG 29 0.997 -0.164 7.746 184 HH11 ARG 29 1HH1 ARG 29 2.783 -2.943 6.646 185 HH12 ARG 29 2HH1 ARG 29 3.741 -3.059 8.084 186 HH21 ARG 29 1HH2 ARG 29 2.252 -0.308 9.645 187 HH22 ARG 29 2HH2 ARG 29 3.437 -1.561 9.790 188 H VAL 30 H VAL 30 -2.928 0.619 2.546 189 HA VAL 30 HA VAL 30 -3.621 -1.405 0.527 190 HB VAL 30 HB VAL 30 -5.238 0.335 -0.312 191 HG11 VAL 30 1HG1 VAL 30 -6.547 -1.096 0.793 192 HG12 VAL 30 2HG1 VAL 30 -5.391 -1.261 2.117 193 HG13 VAL 30 3HG1 VAL 30 -6.534 0.083 2.105 194 HG21 VAL 30 3HG2 VAL 30 -4.142 2.281 0.718 195 HG22 VAL 30 1HG2 VAL 30 -5.843 2.162 1.171 196 HG23 VAL 30 2HG2 VAL 30 -4.590 1.677 2.313 197 H TYR 31 H TYR 31 -3.311 -0.951 -1.689 198 HA TYR 31 HA TYR 31 -1.755 1.394 -2.420 199 HB2 TYR 31 1HB TYR 31 -0.703 -1.389 -2.963 200 HB3 TYR 31 2HB TYR 31 0.060 0.131 -3.418 201 HD1 TYR 31 HD1 TYR 31 1.002 1.613 -1.648 202 HD2 TYR 31 HD2 TYR 31 -0.431 -2.299 -0.783 203 HE1 TYR 31 HE1 TYR 31 2.229 1.641 0.484 204 HE2 TYR 31 HE2 TYR 31 0.791 -2.281 1.351 205 HH TYR 31 HH TYR 31 2.000 -1.059 2.771 206 H HIS 32 H HIS 32 -2.212 2.078 -4.429 207 HA HIS 32 HA HIS 32 -4.368 1.046 -5.864 208 HB2 HIS 32 1HB HIS 32 -2.228 3.042 -6.427 209 HB3 HIS 32 2HB HIS 32 -3.180 2.457 -7.788 210 HD2 HIS 32 HD2 HIS 32 -6.014 2.405 -5.825 211 HE1 HIS 32 HE1 HIS 32 -5.380 6.596 -6.009 212 HE2 HIS 32 HE2 HIS 32 -7.000 4.761 -5.416 213 H LEU 33 H LEU 33 -3.988 0.651 -8.400 214 HA LEU 33 HA LEU 33 -2.443 -1.814 -8.512 215 HB2 LEU 33 1HB LEU 33 -4.598 -0.585 -10.169 216 HB3 LEU 33 2HB LEU 33 -3.561 -1.820 -10.881 217 HG LEU 33 HG LEU 33 -5.274 -2.186 -8.423 218 HD11 LEU 33 1HD1 LEU 33 -6.529 -1.907 -10.562 219 HD12 LEU 33 2HD1 LEU 33 -6.740 -3.480 -9.793 220 HD13 LEU 33 3HD1 LEU 33 -5.672 -3.316 -11.186 221 HD21 LEU 33 3HD2 LEU 33 -3.267 -3.874 -9.820 222 HD22 LEU 33 1HD2 LEU 33 -4.710 -4.657 -9.176 223 HD23 LEU 33 2HD2 LEU 33 -3.646 -3.750 -8.101 224 H ASP 34 H ASP 34 -2.353 1.436 -9.700 225 HA ASP 34 HA ASP 34 -0.189 0.776 -11.566 226 HB2 ASP 34 1HB ASP 34 -1.399 3.509 -11.238 227 HB3 ASP 34 2HB ASP 34 -0.593 2.821 -12.644 228 H CYS 35 H CYS 35 -0.790 2.137 -8.482 229 HA CYS 35 HA CYS 35 1.823 3.457 -8.404 230 HB2 CYS 35 1HB CYS 35 -0.276 3.426 -6.234 231 HB3 CYS 35 2HB CYS 35 1.090 4.526 -6.393 232 H LEU 36 H LEU 36 2.407 0.955 -8.631 233 HA LEU 36 HA LEU 36 2.917 -0.023 -5.898 234 HB2 LEU 36 1HB LEU 36 2.232 -1.500 -8.412 235 HB3 LEU 36 2HB LEU 36 3.125 -2.295 -7.116 236 HG LEU 36 HG LEU 36 0.361 -1.104 -6.888 237 HD11 LEU 36 1HD1 LEU 36 0.358 -3.842 -6.315 238 HD12 LEU 36 2HD1 LEU 36 1.302 -3.662 -7.794 239 HD13 LEU 36 3HD1 LEU 36 -0.345 -3.035 -7.717 240 HD21 LEU 36 3HD2 LEU 36 2.111 -2.536 -4.896 241 HD22 LEU 36 1HD2 LEU 36 0.380 -2.273 -4.681 242 HD23 LEU 36 2HD2 LEU 36 1.474 -0.894 -4.785 243 H ASP 37 H ASP 37 4.791 -1.821 -6.152 244 HA ASP 37 HA ASP 37 6.892 -0.905 -7.941 245 HB2 ASP 37 1HB ASP 37 6.759 -0.022 -5.239 246 HB3 ASP 37 2HB ASP 37 8.103 -1.154 -5.366 247 HA PRO 38 HA PRO 38 7.482 -1.817 -9.477 248 HB2 PRO 38 1HB PRO 38 6.716 -3.709 -11.268 249 HB3 PRO 38 2HB PRO 38 8.384 -3.535 -10.708 250 HG2 PRO 38 1HG PRO 38 6.274 -5.460 -9.809 251 HG3 PRO 38 2HG PRO 38 7.993 -5.755 -10.135 252 HD2 PRO 38 1HD PRO 38 7.017 -5.445 -7.628 253 HD3 PRO 38 2HD PRO 38 8.652 -4.927 -8.087 254 HA PRO 39 HA PRO 39 3.232 -0.803 -9.971 255 HB2 PRO 39 1HB PRO 39 3.060 -0.184 -12.609 256 HB3 PRO 39 2HB PRO 39 3.882 0.847 -11.432 257 HG2 PRO 39 1HG PRO 39 5.044 -1.131 -13.355 258 HG3 PRO 39 2HG PRO 39 5.614 0.497 -12.943 259 HD2 PRO 39 1HD PRO 39 6.724 -1.741 -11.900 260 HD3 PRO 39 2HD PRO 39 6.632 -0.213 -11.001 261 H LEU 40 H LEU 40 1.210 -1.525 -10.733 262 HA LEU 40 HA LEU 40 1.281 -4.104 -12.157 263 HB2 LEU 40 1HB LEU 40 -0.048 -3.268 -9.681 264 HB3 LEU 40 2HB LEU 40 -1.087 -4.141 -10.807 265 HG LEU 40 HG LEU 40 1.510 -5.152 -9.646 266 HD11 LEU 40 1HD1 LEU 40 0.342 -6.193 -8.042 267 HD12 LEU 40 2HD1 LEU 40 -1.000 -6.570 -9.122 268 HD13 LEU 40 3HD1 LEU 40 -0.888 -4.975 -8.379 269 HD21 LEU 40 3HD2 LEU 40 0.704 -7.316 -10.668 270 HD22 LEU 40 1HD2 LEU 40 1.280 -6.095 -11.803 271 HD23 LEU 40 2HD2 LEU 40 -0.451 -6.351 -11.588 272 H LYS 41 H LYS 41 -1.131 -4.597 -12.921 273 HA LYS 41 HA LYS 41 -2.297 -2.184 -14.108 274 HB2 LYS 41 1HB LYS 41 -0.783 -3.123 -15.791 275 HB3 LYS 41 2HB LYS 41 -1.579 -4.685 -15.649 276 HG2 LYS 41 1HG LYS 41 -3.440 -3.997 -16.795 277 HG3 LYS 41 2HG LYS 41 -3.209 -2.300 -16.368 278 HD2 LYS 41 1HD LYS 41 -1.554 -1.996 -17.988 279 HD3 LYS 41 2HD LYS 41 -1.259 -3.730 -18.144 280 HE2 LYS 41 1HE LYS 41 -3.926 -2.572 -18.856 281 HE3 LYS 41 2HE LYS 41 -2.584 -2.484 -19.996 282 HZ1 LYS 41 3HZ LYS 41 -3.292 -4.492 -20.627 283 HZ2 LYS 41 1HZ LYS 41 -4.187 -4.748 -19.214 284 HZ3 LYS 41 2HZ LYS 41 -2.525 -5.064 -19.231 285 H THR 42 H THR 42 -2.807 -5.693 -14.455 286 HA THR 42 HA THR 42 -5.653 -5.290 -13.947 287 HB THR 42 HB THR 42 -6.016 -7.481 -14.820 288 HG1 THR 42 HG1 THR 42 -4.027 -8.711 -15.453 289 HG21 THR 42 3HG2 THR 42 -3.775 -6.493 -16.551 290 HG22 THR 42 1HG2 THR 42 -5.265 -5.564 -16.390 291 HG23 THR 42 2HG2 THR 42 -5.315 -7.208 -17.027 292 H ILE 43 H ILE 43 -6.479 -7.624 -12.897 293 HA ILE 43 HA ILE 43 -5.794 -7.348 -10.144 294 HB ILE 43 HB ILE 43 -7.421 -9.508 -11.490 295 HG12 ILE 43 1HG1 ILE 43 -8.432 -7.083 -10.006 296 HG13 ILE 43 2HG1 ILE 43 -8.197 -7.096 -11.751 297 HG21 ILE 43 1HG2 ILE 43 -6.461 -9.298 -8.840 298 HG22 ILE 43 2HG2 ILE 43 -8.195 -8.985 -8.800 299 HG23 ILE 43 3HG2 ILE 43 -7.585 -10.483 -9.504 300 HD11 ILE 43 3HD1 ILE 43 -9.740 -9.098 -11.800 301 HD12 ILE 43 1HD1 ILE 43 -10.127 -8.713 -10.124 302 HD13 ILE 43 2HD1 ILE 43 -10.471 -7.544 -11.399 303 HA PRO 44 HA PRO 44 -2.263 -10.093 -10.400 304 HB2 PRO 44 1HB PRO 44 -1.502 -9.749 -7.817 305 HB3 PRO 44 2HB PRO 44 -1.158 -8.567 -9.085 306 HG2 PRO 44 1HG PRO 44 -3.336 -8.562 -7.032 307 HG3 PRO 44 2HG PRO 44 -2.312 -7.222 -7.580 308 HD2 PRO 44 1HD PRO 44 -4.849 -7.572 -8.461 309 HD3 PRO 44 2HD PRO 44 -3.574 -6.868 -9.477 310 H LYS 45 H LYS 45 -3.715 -11.933 -10.653 311 HA LYS 45 HA LYS 45 -5.144 -13.203 -8.662 312 HB2 LYS 45 1HB LYS 45 -4.157 -13.862 -11.277 313 HB3 LYS 45 2HB LYS 45 -3.939 -15.243 -10.209 314 HG2 LYS 45 1HG LYS 45 -6.362 -14.976 -9.566 315 HG3 LYS 45 2HG LYS 45 -6.496 -13.821 -10.894 316 HD2 LYS 45 1HD LYS 45 -5.832 -15.518 -12.485 317 HD3 LYS 45 2HD LYS 45 -5.552 -16.674 -11.180 318 HE2 LYS 45 1HE LYS 45 -8.097 -16.004 -10.653 319 HE3 LYS 45 2HE LYS 45 -8.083 -15.749 -12.397 320 HZ1 LYS 45 3HZ LYS 45 -8.516 -17.932 -12.456 321 HZ2 LYS 45 1HZ LYS 45 -7.938 -18.213 -10.891 322 HZ3 LYS 45 2HZ LYS 45 -6.857 -18.120 -12.188 323 H GLY 46 H GLY 46 -4.632 -15.225 -7.499 324 HA2 GLY 46 1HA GLY 46 -3.296 -16.550 -6.159 325 HA3 GLY 46 2HA GLY 46 -1.891 -15.900 -6.992 326 H MET 47 H MET 47 -1.962 -16.392 -4.232 327 HA MET 47 HA MET 47 -2.633 -14.286 -2.579 328 HB2 MET 47 1HB MET 47 -1.879 -16.342 -1.623 329 HB3 MET 47 2HB MET 47 -0.321 -16.219 -2.430 330 HG2 MET 47 1HG MET 47 0.535 -14.889 -0.851 331 HG3 MET 47 2HG MET 47 -0.953 -13.961 -0.682 332 HE1 MET 47 3HE MET 47 1.081 -14.613 1.317 333 HE2 MET 47 1HE MET 47 -0.181 -14.343 2.519 334 HE3 MET 47 2HE MET 47 0.736 -15.849 2.527 335 H TRP 48 H TRP 48 -2.226 -12.222 -3.126 336 HA TRP 48 HA TRP 48 0.419 -11.486 -4.124 337 HB2 TRP 48 1HB TRP 48 -1.593 -10.617 -5.280 338 HB3 TRP 48 2HB TRP 48 -2.064 -9.786 -3.800 339 HD1 TRP 48 HD1 TRP 48 0.557 -9.646 -6.601 340 HE1 TRP 48 HE1 TRP 48 1.616 -7.300 -6.609 341 HE3 TRP 48 HE3 TRP 48 -1.588 -7.773 -2.355 342 HZ2 TRP 48 HZ2 TRP 48 1.551 -4.964 -5.025 343 HZ3 TRP 48 HZ3 TRP 48 -1.037 -5.474 -1.671 344 HH2 TRP 48 HH2 TRP 48 0.501 -4.101 -2.979 345 H ILE 49 H ILE 49 1.761 -9.999 -3.110 346 HA ILE 49 HA ILE 49 0.999 -9.085 -0.433 347 HB ILE 49 HB ILE 49 3.663 -10.396 -0.965 348 HG12 ILE 49 1HG1 ILE 49 1.256 -11.529 0.477 349 HG13 ILE 49 2HG1 ILE 49 1.830 -12.046 -1.105 350 HG21 ILE 49 1HG2 ILE 49 2.959 -10.356 1.770 351 HG22 ILE 49 2HG2 ILE 49 4.255 -9.475 0.963 352 HG23 ILE 49 3HG2 ILE 49 2.659 -8.742 1.126 353 HD11 ILE 49 3HD1 ILE 49 2.616 -12.959 1.458 354 HD12 ILE 49 1HD1 ILE 49 3.155 -13.513 -0.127 355 HD13 ILE 49 2HD1 ILE 49 4.009 -12.202 0.687 356 H CYS 50 H CYS 50 1.498 -7.016 -0.131 357 HA CYS 50 HA CYS 50 2.554 -5.360 -2.070 358 HB2 CYS 50 1HB CYS 50 2.634 -3.644 -0.414 359 HB3 CYS 50 2HB CYS 50 1.264 -4.674 -0.010 360 HA PRO 51 HA PRO 51 6.917 -5.838 -2.026 361 HB2 PRO 51 1HB PRO 51 7.724 -3.311 -2.601 362 HB3 PRO 51 2HB PRO 51 6.973 -4.375 -3.796 363 HG2 PRO 51 1HG PRO 51 5.744 -2.172 -2.184 364 HG3 PRO 51 2HG PRO 51 5.521 -2.561 -3.899 365 HD2 PRO 51 1HD PRO 51 3.725 -3.267 -2.000 366 HD3 PRO 51 2HD PRO 51 4.016 -4.248 -3.451 367 H ARG 52 H ARG 52 5.330 -3.795 0.208 368 HA ARG 52 HA ARG 52 7.679 -2.915 1.611 369 HB2 ARG 52 1HB ARG 52 4.854 -2.385 1.694 370 HB3 ARG 52 2HB ARG 52 5.436 -2.745 3.314 371 HG2 ARG 52 1HG ARG 52 6.795 -0.747 1.535 372 HG3 ARG 52 2HG ARG 52 5.451 -0.315 2.595 373 HD2 ARG 52 1HD ARG 52 7.207 0.145 3.982 374 HD3 ARG 52 2HD ARG 52 6.928 -1.545 4.398 375 HE ARG 52 HE ARG 52 8.990 -2.032 3.558 376 HH11 ARG 52 1HH1 ARG 52 7.941 1.011 2.232 377 HH12 ARG 52 2HH1 ARG 52 9.442 1.325 1.424 378 HH21 ARG 52 1HH2 ARG 52 10.970 -1.630 2.500 379 HH22 ARG 52 2HH2 ARG 52 11.164 -0.178 1.576 380 H CYS 53 H CYS 53 5.623 -5.688 1.669 381 HA CYS 53 HA CYS 53 6.462 -6.533 4.310 382 HB2 CYS 53 1HB CYS 53 4.610 -7.608 2.219 383 HB3 CYS 53 2HB CYS 53 5.208 -8.691 3.471 384 H GLN 54 H GLN 54 6.773 -7.839 1.005 385 HA GLN 54 HA GLN 54 8.479 -9.940 1.542 386 HB2 GLN 54 1HB GLN 54 8.325 -8.158 -0.889 387 HB3 GLN 54 2HB GLN 54 9.288 -9.627 -0.826 388 HG2 GLN 54 1HG GLN 54 6.460 -9.902 -0.048 389 HG3 GLN 54 2HG GLN 54 6.771 -9.527 -1.743 390 HE21 GLN 54 1HE2 GLN 54 6.867 -11.250 -2.972 391 HE22 GLN 54 2HE2 GLN 54 7.464 -12.805 -2.514 392 H ASP 55 H ASP 55 9.191 -6.529 1.301 393 HA ASP 55 HA ASP 55 12.057 -7.078 1.629 394 HB2 ASP 55 1HB ASP 55 10.504 -4.719 0.623 395 HB3 ASP 55 2HB ASP 55 12.129 -4.484 1.261 396 H GLN 56 H GLN 56 11.599 -7.735 3.870 397 HA GLN 56 HA GLN 56 10.564 -5.993 5.808 398 HB2 GLN 56 1HB GLN 56 11.827 -8.566 5.746 399 HB3 GLN 56 2HB GLN 56 12.540 -7.606 7.036 400 HG2 GLN 56 1HG GLN 56 10.609 -7.521 8.237 401 HG3 GLN 56 2HG GLN 56 9.584 -7.653 6.809 402 HE21 GLN 56 1HE2 GLN 56 12.218 -9.667 8.061 403 HE22 GLN 56 2HE2 GLN 56 11.299 -11.127 8.133 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.387 2.451 26.600 2 HA2 GLY 1 1HA GLY 1 -12.664 1.985 24.458 3 HA3 GLY 1 2HA GLY 1 -11.281 3.052 24.265 4 H SER 2 H SER 2 -9.981 2.553 22.643 5 HA SER 2 HA SER 2 -9.700 -0.281 21.888 6 HB2 SER 2 1HB SER 2 -10.274 2.107 20.178 7 HB3 SER 2 2HB SER 2 -9.312 0.790 19.507 8 HG SER 2 HG SER 2 -11.010 -0.514 19.574 9 H SER 3 H SER 3 -7.684 -0.883 20.963 10 HA SER 3 HA SER 3 -5.459 0.499 22.130 11 HB2 SER 3 1HB SER 3 -5.124 -1.702 20.124 12 HB3 SER 3 2HB SER 3 -4.190 -1.369 21.582 13 HG SER 3 HG SER 3 -5.468 -2.666 22.610 14 H GLY 4 H GLY 4 -6.705 0.019 18.857 15 HA2 GLY 4 1HA GLY 4 -6.487 1.793 17.236 16 HA3 GLY 4 2HA GLY 4 -4.948 2.213 17.972 17 H SER 5 H SER 5 -5.980 -1.056 17.191 18 HA SER 5 HA SER 5 -4.009 -1.111 15.005 19 HB2 SER 5 1HB SER 5 -4.392 -3.519 16.746 20 HB3 SER 5 2HB SER 5 -2.991 -3.046 15.785 21 HG SER 5 HG SER 5 -3.820 -2.114 18.306 22 H SER 6 H SER 6 -6.803 -0.747 14.747 23 HA SER 6 HA SER 6 -7.511 -3.240 13.352 24 HB2 SER 6 1HB SER 6 -8.791 -2.534 15.601 25 HB3 SER 6 2HB SER 6 -9.725 -1.583 14.447 26 HG SER 6 HG SER 6 -10.296 -3.433 13.386 27 H GLY 7 H GLY 7 -7.342 -2.747 11.258 28 HA2 GLY 7 1HA GLY 7 -9.014 -1.421 9.699 29 HA3 GLY 7 2HA GLY 7 -8.074 -0.076 10.327 30 H HIS 8 H HIS 8 -8.274 -0.826 7.588 31 HA HIS 8 HA HIS 8 -5.459 -1.511 7.068 32 HB2 HIS 8 1HB HIS 8 -7.941 -2.594 5.801 33 HB3 HIS 8 2HB HIS 8 -6.493 -2.418 4.814 34 HD2 HIS 8 HD2 HIS 8 -5.479 -4.922 4.672 35 HE1 HIS 8 HE1 HIS 8 -5.839 -5.943 8.774 36 HE2 HIS 8 HE2 HIS 8 -4.940 -6.642 6.527 37 H GLU 9 H GLU 9 -6.911 1.070 7.323 38 HA GLU 9 HA GLU 9 -6.956 3.112 6.321 39 HB2 GLU 9 1HB GLU 9 -5.010 1.937 4.334 40 HB3 GLU 9 2HB GLU 9 -5.224 3.635 4.738 41 HG2 GLU 9 1HG GLU 9 -4.292 1.564 6.706 42 HG3 GLU 9 2HG GLU 9 -3.204 2.544 5.725 43 H ASP 10 H ASP 10 -7.115 4.151 3.942 44 HA ASP 10 HA ASP 10 -8.608 2.520 2.088 45 HB2 ASP 10 1HB ASP 10 -9.946 4.678 3.716 46 HB3 ASP 10 2HB ASP 10 -10.585 4.135 2.167 47 H PHE 11 H PHE 11 -6.189 4.185 2.138 48 HA PHE 11 HA PHE 11 -6.800 5.777 -0.226 49 HB2 PHE 11 1HB PHE 11 -5.199 6.979 2.033 50 HB3 PHE 11 2HB PHE 11 -5.774 7.778 0.573 51 HD1 PHE 11 HD1 PHE 11 -6.689 6.539 3.886 52 HD2 PHE 11 HD2 PHE 11 -8.070 8.496 0.367 53 HE1 PHE 11 HE1 PHE 11 -8.716 7.255 5.083 54 HE2 PHE 11 HE2 PHE 11 -10.098 9.216 1.559 55 HZ PHE 11 HZ PHE 11 -10.423 8.596 3.921 56 H CYS 12 H CYS 12 -5.148 5.870 -1.687 57 HA CYS 12 HA CYS 12 -3.206 3.910 -1.718 58 HB2 CYS 12 1HB CYS 12 -3.970 5.211 -3.697 59 HB3 CYS 12 2HB CYS 12 -3.041 6.589 -3.114 60 H SER 13 H SER 13 -1.126 3.726 -1.056 61 HA SER 13 HA SER 13 -0.163 5.769 0.798 62 HB2 SER 13 1HB SER 13 -0.205 3.035 0.983 63 HB3 SER 13 2HB SER 13 1.455 3.334 0.465 64 HG SER 13 HG SER 13 1.359 5.008 2.244 65 H VAL 14 H VAL 14 -0.064 6.434 -1.938 66 HA VAL 14 HA VAL 14 2.791 6.913 -2.206 67 HB VAL 14 HB VAL 14 1.203 5.615 -4.425 68 HG11 VAL 14 1HG1 VAL 14 2.667 6.485 -5.846 69 HG12 VAL 14 2HG1 VAL 14 3.466 7.333 -4.521 70 HG13 VAL 14 3HG1 VAL 14 3.983 5.707 -4.968 71 HG21 VAL 14 3HG2 VAL 14 1.867 4.016 -2.719 72 HG22 VAL 14 1HG2 VAL 14 2.815 3.775 -4.186 73 HG23 VAL 14 2HG2 VAL 14 3.531 4.594 -2.798 74 H CYS 15 H CYS 15 -0.423 7.356 -3.647 75 HA CYS 15 HA CYS 15 0.364 10.108 -4.353 76 HB2 CYS 15 1HB CYS 15 -1.264 10.034 -6.153 77 HB3 CYS 15 2HB CYS 15 -0.157 8.674 -6.307 78 H ARG 16 H ARG 16 -1.878 8.089 -2.669 79 HA ARG 16 HA ARG 16 -3.560 8.540 -1.207 80 HB2 ARG 16 1HB ARG 16 -2.700 11.428 -1.290 81 HB3 ARG 16 2HB ARG 16 -3.510 10.576 0.019 82 HG2 ARG 16 1HG ARG 16 -1.302 9.104 -0.095 83 HG3 ARG 16 2HG ARG 16 -0.652 10.610 -0.746 84 HD2 ARG 16 1HD ARG 16 -0.378 11.227 1.383 85 HD3 ARG 16 2HD ARG 16 -2.126 11.460 1.410 86 HE ARG 16 HE ARG 16 -1.400 8.765 1.990 87 HH11 ARG 16 1HH1 ARG 16 -1.648 11.956 3.359 88 HH12 ARG 16 2HH1 ARG 16 -1.864 11.386 4.981 89 HH21 ARG 16 1HH2 ARG 16 -1.683 8.001 4.121 90 HH22 ARG 16 2HH2 ARG 16 -1.882 9.136 5.413 91 H LYS 17 H LYS 17 -5.127 8.076 -2.809 92 HA LYS 17 HA LYS 17 -6.714 10.416 -3.554 93 HB2 LYS 17 1HB LYS 17 -5.319 8.631 -5.414 94 HB3 LYS 17 2HB LYS 17 -7.034 8.805 -5.761 95 HG2 LYS 17 1HG LYS 17 -6.822 11.174 -5.974 96 HG3 LYS 17 2HG LYS 17 -5.154 11.126 -5.399 97 HD2 LYS 17 1HD LYS 17 -4.346 10.411 -7.394 98 HD3 LYS 17 2HD LYS 17 -5.784 9.451 -7.753 99 HE2 LYS 17 1HE LYS 17 -6.962 11.306 -8.551 100 HE3 LYS 17 2HE LYS 17 -5.869 12.449 -7.774 101 HZ1 LYS 17 3HZ LYS 17 -4.577 12.476 -9.560 102 HZ2 LYS 17 1HZ LYS 17 -5.768 11.598 -10.380 103 HZ3 LYS 17 2HZ LYS 17 -4.489 10.788 -9.626 104 H SER 18 H SER 18 -8.899 9.692 -4.448 105 HA SER 18 HA SER 18 -9.907 7.591 -2.687 106 HB2 SER 18 1HB SER 18 -12.014 8.600 -2.848 107 HB3 SER 18 2HB SER 18 -10.914 9.977 -2.907 108 HG SER 18 HG SER 18 -12.709 9.203 -4.723 109 H GLY 19 H GLY 19 -11.183 5.870 -3.415 110 HA2 GLY 19 1HA GLY 19 -12.344 5.064 -5.572 111 HA3 GLY 19 2HA GLY 19 -10.723 5.185 -6.241 112 H GLN 20 H GLN 20 -11.049 2.890 -6.722 113 HA GLN 20 HA GLN 20 -11.181 1.018 -4.550 114 HB2 GLN 20 1HB GLN 20 -11.572 0.914 -7.321 115 HB3 GLN 20 2HB GLN 20 -10.175 -0.109 -7.017 116 HG2 GLN 20 1HG GLN 20 -11.370 -1.629 -5.808 117 HG3 GLN 20 2HG GLN 20 -12.562 -0.441 -5.285 118 HE21 GLN 20 1HE2 GLN 20 -13.370 -2.881 -6.172 119 HE22 GLN 20 2HE2 GLN 20 -14.158 -2.725 -7.701 120 H LEU 21 H LEU 21 -9.559 0.065 -3.475 121 HA LEU 21 HA LEU 21 -6.817 0.422 -4.482 122 HB2 LEU 21 1HB LEU 21 -7.994 1.262 -1.926 123 HB3 LEU 21 2HB LEU 21 -6.464 0.398 -1.787 124 HG LEU 21 HG LEU 21 -6.578 2.635 -3.729 125 HD11 LEU 21 1HD1 LEU 21 -7.789 3.336 -1.575 126 HD12 LEU 21 2HD1 LEU 21 -6.474 4.352 -2.163 127 HD13 LEU 21 3HD1 LEU 21 -6.197 3.243 -0.821 128 HD21 LEU 21 3HD2 LEU 21 -4.339 2.656 -3.446 129 HD22 LEU 21 1HD2 LEU 21 -4.617 1.014 -2.864 130 HD23 LEU 21 2HD2 LEU 21 -4.444 2.340 -1.713 131 H LEU 22 H LEU 22 -5.322 -1.202 -3.899 132 HA LEU 22 HA LEU 22 -6.523 -3.803 -3.570 133 HB2 LEU 22 1HB LEU 22 -4.508 -3.082 -5.060 134 HB3 LEU 22 2HB LEU 22 -3.574 -3.320 -3.585 135 HG LEU 22 HG LEU 22 -4.301 -5.662 -3.511 136 HD11 LEU 22 1HD1 LEU 22 -5.881 -4.820 -5.902 137 HD12 LEU 22 2HD1 LEU 22 -6.373 -5.793 -4.516 138 HD13 LEU 22 3HD1 LEU 22 -5.323 -6.486 -5.751 139 HD21 LEU 22 3HD2 LEU 22 -2.401 -4.553 -5.127 140 HD22 LEU 22 1HD2 LEU 22 -3.322 -5.538 -6.264 141 HD23 LEU 22 2HD2 LEU 22 -2.605 -6.281 -4.834 142 H MET 23 H MET 23 -5.908 -5.339 -1.956 143 HA MET 23 HA MET 23 -4.988 -4.096 0.553 144 HB2 MET 23 1HB MET 23 -7.035 -6.289 0.179 145 HB3 MET 23 2HB MET 23 -6.426 -5.744 1.736 146 HG2 MET 23 1HG MET 23 -7.293 -3.438 0.414 147 HG3 MET 23 2HG MET 23 -8.527 -4.660 0.114 148 HE1 MET 23 3HE MET 23 -9.494 -2.146 3.172 149 HE2 MET 23 1HE MET 23 -8.627 -1.868 1.662 150 HE3 MET 23 2HE MET 23 -10.160 -2.740 1.650 151 H CYS 24 H CYS 24 -3.506 -5.187 1.784 152 HA CYS 24 HA CYS 24 -2.063 -7.315 0.438 153 HB2 CYS 24 1HB CYS 24 -0.823 -5.444 1.448 154 HB3 CYS 24 2HB CYS 24 -1.465 -5.873 3.030 155 H ASP 25 H ASP 25 -1.701 -9.367 1.258 156 HA ASP 25 HA ASP 25 -3.720 -10.287 3.160 157 HB2 ASP 25 1HB ASP 25 -2.930 -11.337 0.783 158 HB3 ASP 25 2HB ASP 25 -1.925 -12.262 1.895 159 H THR 26 H THR 26 -1.651 -8.799 4.289 160 HA THR 26 HA THR 26 -0.651 -10.695 6.211 161 HB THR 26 HB THR 26 1.657 -9.169 5.457 162 HG1 THR 26 HG1 THR 26 0.892 -10.939 3.394 163 HG21 THR 26 3HG2 THR 26 0.910 -12.053 5.722 164 HG22 THR 26 1HG2 THR 26 2.062 -11.105 6.661 165 HG23 THR 26 2HG2 THR 26 2.467 -11.614 5.021 166 H CYS 27 H CYS 27 0.288 -7.439 5.087 167 HA CYS 27 HA CYS 27 0.125 -6.464 7.825 168 HB2 CYS 27 1HB CYS 27 1.211 -4.468 7.002 169 HB3 CYS 27 2HB CYS 27 2.061 -5.876 6.374 170 H SER 28 H SER 28 -0.583 -3.865 7.549 171 HA SER 28 HA SER 28 -3.351 -4.010 6.547 172 HB2 SER 28 1HB SER 28 -2.250 -2.666 9.018 173 HB3 SER 28 2HB SER 28 -3.850 -2.306 8.368 174 HG SER 28 HG SER 28 -2.922 -4.861 9.191 175 H ARG 29 H ARG 29 -1.799 -3.248 4.642 176 HA ARG 29 HA ARG 29 -2.066 -0.322 4.551 177 HB2 ARG 29 1HB ARG 29 0.269 -1.873 3.418 178 HB3 ARG 29 2HB ARG 29 0.040 -0.131 3.347 179 HG2 ARG 29 1HG ARG 29 -0.066 -1.131 6.064 180 HG3 ARG 29 2HG ARG 29 1.453 -1.532 5.259 181 HD2 ARG 29 1HD ARG 29 2.039 0.677 4.973 182 HD3 ARG 29 2HD ARG 29 0.368 1.236 5.027 183 HE ARG 29 HE ARG 29 1.165 0.149 7.525 184 HH11 ARG 29 1HH1 ARG 29 1.487 2.963 5.502 185 HH12 ARG 29 2HH1 ARG 29 1.762 4.045 6.827 186 HH21 ARG 29 1HH2 ARG 29 1.525 1.563 9.278 187 HH22 ARG 29 2HH2 ARG 29 1.784 3.248 8.975 188 H VAL 30 H VAL 30 -2.576 0.555 2.533 189 HA VAL 30 HA VAL 30 -3.472 -1.418 0.534 190 HB VAL 30 HB VAL 30 -5.104 0.303 -0.206 191 HG11 VAL 30 1HG1 VAL 30 -5.130 -1.049 2.406 192 HG12 VAL 30 2HG1 VAL 30 -6.333 0.227 2.201 193 HG13 VAL 30 3HG1 VAL 30 -6.282 -1.128 1.073 194 HG21 VAL 30 3HG2 VAL 30 -4.140 1.775 2.244 195 HG22 VAL 30 1HG2 VAL 30 -3.980 2.298 0.568 196 HG23 VAL 30 2HG2 VAL 30 -5.576 2.196 1.311 197 H TYR 31 H TYR 31 -3.158 -0.970 -1.664 198 HA TYR 31 HA TYR 31 -1.607 1.373 -2.411 199 HB2 TYR 31 1HB TYR 31 -0.567 -1.410 -2.975 200 HB3 TYR 31 2HB TYR 31 0.193 0.110 -3.433 201 HD1 TYR 31 HD2 TYR 31 1.176 1.573 -1.678 202 HD2 TYR 31 HD1 TYR 31 -0.293 -2.320 -0.791 203 HE1 TYR 31 HE2 TYR 31 2.428 1.590 0.439 204 HE2 TYR 31 HE1 TYR 31 0.955 -2.314 1.329 205 HH TYR 31 HH TYR 31 2.244 0.436 2.694 206 H HIS 32 H HIS 32 -2.073 2.057 -4.421 207 HA HIS 32 HA HIS 32 -4.256 1.043 -5.828 208 HB2 HIS 32 1HB HIS 32 -2.104 3.015 -6.421 209 HB3 HIS 32 2HB HIS 32 -3.077 2.436 -7.769 210 HD2 HIS 32 HD2 HIS 32 -5.887 2.418 -5.770 211 HE1 HIS 32 HE1 HIS 32 -5.215 6.602 -5.979 212 HE2 HIS 32 HE2 HIS 32 -6.845 4.785 -5.358 213 H LEU 33 H LEU 33 -3.910 0.638 -8.367 214 HA LEU 33 HA LEU 33 -2.395 -1.845 -8.490 215 HB2 LEU 33 1HB LEU 33 -4.554 -0.594 -10.124 216 HB3 LEU 33 2HB LEU 33 -3.536 -1.836 -10.850 217 HG LEU 33 HG LEU 33 -5.188 -2.211 -8.353 218 HD11 LEU 33 1HD1 LEU 33 -5.749 -3.326 -11.087 219 HD12 LEU 33 2HD1 LEU 33 -6.474 -1.831 -10.497 220 HD13 LEU 33 3HD1 LEU 33 -6.784 -3.352 -9.659 221 HD21 LEU 33 3HD2 LEU 33 -4.598 -4.653 -9.564 222 HD22 LEU 33 1HD2 LEU 33 -3.918 -4.012 -8.067 223 HD23 LEU 33 2HD2 LEU 33 -3.087 -3.743 -9.599 224 H ASP 34 H ASP 34 -2.272 1.403 -9.678 225 HA ASP 34 HA ASP 34 -0.135 0.712 -11.565 226 HB2 ASP 34 1HB ASP 34 -0.465 2.863 -12.561 227 HB3 ASP 34 2HB ASP 34 -2.059 2.156 -12.313 228 H CYS 35 H CYS 35 -0.695 2.092 -8.481 229 HA CYS 35 HA CYS 35 1.931 3.386 -8.430 230 HB2 CYS 35 1HB CYS 35 -0.146 3.376 -6.238 231 HB3 CYS 35 2HB CYS 35 1.227 4.465 -6.415 232 H LEU 36 H LEU 36 2.488 0.877 -8.659 233 HA LEU 36 HA LEU 36 3.020 -0.100 -5.930 234 HB2 LEU 36 1HB LEU 36 2.289 -1.576 -8.430 235 HB3 LEU 36 2HB LEU 36 3.190 -2.377 -7.144 236 HG LEU 36 HG LEU 36 0.441 -1.157 -6.885 237 HD11 LEU 36 1HD1 LEU 36 1.345 -3.728 -7.793 238 HD12 LEU 36 2HD1 LEU 36 -0.294 -3.084 -7.700 239 HD13 LEU 36 3HD1 LEU 36 0.416 -3.893 -6.303 240 HD21 LEU 36 3HD2 LEU 36 2.316 -2.423 -4.922 241 HD22 LEU 36 1HD2 LEU 36 0.570 -2.510 -4.691 242 HD23 LEU 36 2HD2 LEU 36 1.371 -0.941 -4.769 243 H ASP 37 H ASP 37 4.872 -1.917 -6.200 244 HA ASP 37 HA ASP 37 6.960 -1.031 -8.018 245 HB2 ASP 37 1HB ASP 37 6.870 -0.047 -5.387 246 HB3 ASP 37 2HB ASP 37 8.118 -1.290 -5.385 247 HA PRO 38 HA PRO 38 7.523 -1.955 -9.557 248 HB2 PRO 38 1HB PRO 38 6.718 -3.848 -11.329 249 HB3 PRO 38 2HB PRO 38 8.393 -3.688 -10.790 250 HG2 PRO 38 1HG PRO 38 6.276 -5.588 -9.857 251 HG3 PRO 38 2HG PRO 38 7.987 -5.901 -10.201 252 HD2 PRO 38 1HD PRO 38 7.045 -5.570 -7.685 253 HD3 PRO 38 2HD PRO 38 8.679 -5.070 -8.166 254 HA PRO 39 HA PRO 39 3.278 -0.902 -10.006 255 HB2 PRO 39 1HB PRO 39 3.081 -0.295 -12.645 256 HB3 PRO 39 2HB PRO 39 3.927 0.734 -11.483 257 HG2 PRO 39 1HG PRO 39 5.047 -1.265 -13.409 258 HG3 PRO 39 2HG PRO 39 5.637 0.360 -13.013 259 HD2 PRO 39 1HD PRO 39 6.738 -1.885 -11.972 260 HD3 PRO 39 2HD PRO 39 6.672 -0.351 -11.080 261 H LEU 40 H LEU 40 1.240 -1.606 -10.741 262 HA LEU 40 HA LEU 40 1.269 -4.196 -12.147 263 HB2 LEU 40 1HB LEU 40 -0.025 -3.327 -9.665 264 HB3 LEU 40 2HB LEU 40 -1.090 -4.187 -10.775 265 HG LEU 40 HG LEU 40 1.501 -5.236 -9.637 266 HD11 LEU 40 1HD1 LEU 40 -0.939 -6.689 -9.053 267 HD12 LEU 40 2HD1 LEU 40 -0.970 -5.044 -8.420 268 HD13 LEU 40 3HD1 LEU 40 0.338 -6.138 -7.968 269 HD21 LEU 40 3HD2 LEU 40 1.311 -6.261 -11.717 270 HD22 LEU 40 1HD2 LEU 40 -0.450 -6.327 -11.633 271 HD23 LEU 40 2HD2 LEU 40 0.521 -7.402 -10.627 272 H LYS 41 H LYS 41 -1.155 -4.667 -12.887 273 HA LYS 41 HA LYS 41 -2.308 -2.251 -14.080 274 HB2 LYS 41 1HB LYS 41 -0.853 -3.145 -15.799 275 HB3 LYS 41 2HB LYS 41 -1.540 -4.751 -15.595 276 HG2 LYS 41 1HG LYS 41 -3.153 -4.311 -17.046 277 HG3 LYS 41 2HG LYS 41 -3.613 -2.848 -16.171 278 HD2 LYS 41 1HD LYS 41 -2.978 -1.875 -18.122 279 HD3 LYS 41 2HD LYS 41 -1.392 -1.947 -17.350 280 HE2 LYS 41 1HE LYS 41 -0.801 -2.941 -19.288 281 HE3 LYS 41 2HE LYS 41 -1.459 -4.376 -18.504 282 HZ1 LYS 41 3HZ LYS 41 -3.658 -3.386 -19.600 283 HZ2 LYS 41 1HZ LYS 41 -2.643 -4.476 -20.402 284 HZ3 LYS 41 2HZ LYS 41 -2.522 -2.819 -20.718 285 H THR 42 H THR 42 -2.851 -5.753 -14.430 286 HA THR 42 HA THR 42 -5.688 -5.327 -13.890 287 HB THR 42 HB THR 42 -6.081 -7.509 -14.771 288 HG1 THR 42 HG1 THR 42 -3.285 -7.948 -14.997 289 HG21 THR 42 3HG2 THR 42 -5.614 -7.053 -16.940 290 HG22 THR 42 1HG2 THR 42 -3.899 -6.788 -16.627 291 HG23 THR 42 2HG2 THR 42 -5.067 -5.514 -16.275 292 H ILE 43 H ILE 43 -6.525 -7.659 -12.844 293 HA ILE 43 HA ILE 43 -5.807 -7.405 -10.097 294 HB ILE 43 HB ILE 43 -7.470 -9.541 -11.437 295 HG12 ILE 43 1HG1 ILE 43 -9.241 -7.974 -10.138 296 HG13 ILE 43 2HG1 ILE 43 -8.027 -6.768 -10.548 297 HG21 ILE 43 1HG2 ILE 43 -6.479 -9.355 -8.796 298 HG22 ILE 43 2HG2 ILE 43 -8.210 -9.028 -8.736 299 HG23 ILE 43 3HG2 ILE 43 -7.620 -10.526 -9.456 300 HD11 ILE 43 3HD1 ILE 43 -8.855 -8.571 -12.725 301 HD12 ILE 43 1HD1 ILE 43 -10.063 -7.422 -12.149 302 HD13 ILE 43 2HD1 ILE 43 -8.507 -6.843 -12.745 303 HA PRO 44 HA PRO 44 -2.306 -10.183 -10.406 304 HB2 PRO 44 1HB PRO 44 -1.515 -9.861 -7.829 305 HB3 PRO 44 2HB PRO 44 -1.173 -8.675 -9.094 306 HG2 PRO 44 1HG PRO 44 -3.329 -8.661 -7.018 307 HG3 PRO 44 2HG PRO 44 -2.298 -7.328 -7.569 308 HD2 PRO 44 1HD PRO 44 -4.847 -7.649 -8.425 309 HD3 PRO 44 2HD PRO 44 -3.576 -6.951 -9.450 310 H LYS 45 H LYS 45 -3.814 -11.993 -10.652 311 HA LYS 45 HA LYS 45 -5.212 -13.261 -8.639 312 HB2 LYS 45 1HB LYS 45 -3.930 -14.183 -11.170 313 HB3 LYS 45 2HB LYS 45 -4.514 -15.402 -10.045 314 HG2 LYS 45 1HG LYS 45 -6.531 -13.417 -10.366 315 HG3 LYS 45 2HG LYS 45 -5.979 -13.938 -11.959 316 HD2 LYS 45 1HD LYS 45 -6.240 -16.321 -11.083 317 HD3 LYS 45 2HD LYS 45 -7.136 -15.606 -9.740 318 HE2 LYS 45 1HE LYS 45 -8.828 -14.801 -11.162 319 HE3 LYS 45 2HE LYS 45 -7.844 -15.042 -12.605 320 HZ1 LYS 45 3HZ LYS 45 -8.833 -17.252 -10.889 321 HZ2 LYS 45 1HZ LYS 45 -8.063 -17.391 -12.389 322 HZ3 LYS 45 2HZ LYS 45 -9.615 -16.724 -12.293 323 H GLY 46 H GLY 46 -4.727 -15.217 -7.425 324 HA2 GLY 46 1HA GLY 46 -3.368 -16.616 -6.173 325 HA3 GLY 46 2HA GLY 46 -1.973 -15.968 -7.023 326 H MET 47 H MET 47 -1.955 -16.494 -4.284 327 HA MET 47 HA MET 47 -2.589 -14.425 -2.571 328 HB2 MET 47 1HB MET 47 -1.770 -16.530 -1.727 329 HB3 MET 47 2HB MET 47 -0.217 -16.294 -2.517 330 HG2 MET 47 1HG MET 47 0.432 -14.637 -1.011 331 HG3 MET 47 2HG MET 47 -1.217 -14.378 -0.447 332 HE1 MET 47 3HE MET 47 0.296 -14.218 1.639 333 HE2 MET 47 1HE MET 47 -1.090 -15.008 2.390 334 HE3 MET 47 2HE MET 47 0.541 -15.590 2.721 335 H TRP 48 H TRP 48 -2.215 -12.346 -3.076 336 HA TRP 48 HA TRP 48 0.406 -11.573 -4.121 337 HB2 TRP 48 1HB TRP 48 -1.619 -10.731 -5.269 338 HB3 TRP 48 2HB TRP 48 -2.104 -9.916 -3.785 339 HD1 TRP 48 HD1 TRP 48 0.510 -9.714 -6.589 340 HE1 TRP 48 HE1 TRP 48 1.526 -7.349 -6.587 341 HE3 TRP 48 HE3 TRP 48 -1.662 -7.901 -2.331 342 HZ2 TRP 48 HZ2 TRP 48 1.421 -5.023 -4.992 343 HZ3 TRP 48 HZ3 TRP 48 -1.151 -5.596 -1.636 344 HH2 TRP 48 HH2 TRP 48 0.359 -4.189 -2.940 345 H ILE 49 H ILE 49 1.722 -10.048 -3.118 346 HA ILE 49 HA ILE 49 0.962 -9.155 -0.435 347 HB ILE 49 HB ILE 49 3.639 -10.433 -0.986 348 HG12 ILE 49 1HG1 ILE 49 1.261 -11.579 0.495 349 HG13 ILE 49 2HG1 ILE 49 1.820 -12.102 -1.090 350 HG21 ILE 49 1HG2 ILE 49 2.399 -9.825 1.680 351 HG22 ILE 49 2HG2 ILE 49 4.084 -10.178 1.303 352 HG23 ILE 49 3HG2 ILE 49 3.373 -8.642 0.809 353 HD11 ILE 49 3HD1 ILE 49 3.209 -13.528 -0.139 354 HD12 ILE 49 1HD1 ILE 49 4.010 -12.209 0.716 355 HD13 ILE 49 2HD1 ILE 49 2.627 -13.024 1.447 356 H CYS 50 H CYS 50 1.434 -7.080 -0.129 357 HA CYS 50 HA CYS 50 2.456 -5.408 -2.075 358 HB2 CYS 50 1HB CYS 50 2.512 -3.688 -0.420 359 HB3 CYS 50 2HB CYS 50 1.158 -4.739 -0.016 360 HA PRO 51 HA PRO 51 6.826 -5.814 -2.036 361 HB2 PRO 51 1HB PRO 51 7.591 -3.275 -2.617 362 HB3 PRO 51 2HB PRO 51 6.856 -4.353 -3.809 363 HG2 PRO 51 1HG PRO 51 5.593 -2.168 -2.199 364 HG3 PRO 51 2HG PRO 51 5.374 -2.564 -3.913 365 HD2 PRO 51 1HD PRO 51 3.593 -3.296 -2.010 366 HD3 PRO 51 2HD PRO 51 3.898 -4.275 -3.460 367 H ARG 52 H ARG 52 5.208 -3.803 0.200 368 HA ARG 52 HA ARG 52 7.543 -2.877 1.597 369 HB2 ARG 52 1HB ARG 52 4.737 -2.350 1.652 370 HB3 ARG 52 2HB ARG 52 5.250 -2.785 3.276 371 HG2 ARG 52 1HG ARG 52 6.669 -0.710 1.634 372 HG3 ARG 52 2HG ARG 52 5.308 -0.330 2.691 373 HD2 ARG 52 1HD ARG 52 6.892 -1.799 4.347 374 HD3 ARG 52 2HD ARG 52 8.093 -0.981 3.349 375 HE ARG 52 HE ARG 52 6.409 0.202 5.341 376 HH11 ARG 52 1HH1 ARG 52 8.164 0.794 2.393 377 HH12 ARG 52 2HH1 ARG 52 8.347 2.491 2.689 378 HH21 ARG 52 1HH2 ARG 52 6.644 2.435 5.742 379 HH22 ARG 52 2HH2 ARG 52 7.483 3.423 4.595 380 H CYS 53 H CYS 53 5.527 -5.682 1.670 381 HA CYS 53 HA CYS 53 6.400 -6.513 4.305 382 HB2 CYS 53 1HB CYS 53 4.552 -7.624 2.227 383 HB3 CYS 53 2HB CYS 53 5.170 -8.688 3.486 384 H GLN 54 H GLN 54 6.751 -7.746 0.980 385 HA GLN 54 HA GLN 54 8.453 -9.859 1.479 386 HB2 GLN 54 1HB GLN 54 8.308 -8.003 -0.895 387 HB3 GLN 54 2HB GLN 54 9.311 -9.447 -0.867 388 HG2 GLN 54 1HG GLN 54 6.554 -9.957 -0.087 389 HG3 GLN 54 2HG GLN 54 6.710 -9.303 -1.717 390 HE21 GLN 54 1HE2 GLN 54 6.355 -11.038 -2.951 391 HE22 GLN 54 2HE2 GLN 54 7.267 -12.504 -2.886 392 H ASP 55 H ASP 55 9.147 -6.443 1.401 393 HA ASP 55 HA ASP 55 11.648 -6.821 2.716 394 HB2 ASP 55 1HB ASP 55 11.770 -6.963 -0.068 395 HB3 ASP 55 2HB ASP 55 12.276 -5.319 0.310 396 H GLN 56 H GLN 56 12.814 -4.660 2.960 397 HA GLN 56 HA GLN 56 10.824 -2.490 3.080 398 HB2 GLN 56 1HB GLN 56 12.146 -1.685 5.086 399 HB3 GLN 56 2HB GLN 56 11.210 -3.155 5.320 400 HG2 GLN 56 1HG GLN 56 14.071 -3.358 4.517 401 HG3 GLN 56 2HG GLN 56 13.660 -2.984 6.190 402 HE21 GLN 56 1HE2 GLN 56 14.981 -5.172 6.032 403 HE22 GLN 56 2HE2 GLN 56 13.992 -6.586 6.120 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -13.340 9.470 19.891 2 HA2 GLY 1 1HA GLY 1 -11.168 9.966 20.936 3 HA3 GLY 1 2HA GLY 1 -11.237 8.359 21.645 4 H SER 2 H SER 2 -9.043 8.321 20.610 5 HA SER 2 HA SER 2 -9.152 7.787 17.730 6 HB2 SER 2 1HB SER 2 -6.647 7.820 17.894 7 HB3 SER 2 2HB SER 2 -7.416 9.337 18.363 8 HG SER 2 HG SER 2 -5.735 7.931 19.778 9 H SER 3 H SER 3 -10.415 5.839 19.050 10 HA SER 3 HA SER 3 -8.483 3.659 19.418 11 HB2 SER 3 1HB SER 3 -10.064 3.982 21.260 12 HB3 SER 3 2HB SER 3 -11.420 3.811 20.145 13 HG SER 3 HG SER 3 -11.206 1.725 20.238 14 H GLY 4 H GLY 4 -8.706 4.370 16.823 15 HA2 GLY 4 1HA GLY 4 -8.841 3.107 14.856 16 HA3 GLY 4 2HA GLY 4 -9.921 1.988 15.674 17 H SER 5 H SER 5 -10.697 2.509 13.249 18 HA SER 5 HA SER 5 -12.939 4.377 13.589 19 HB2 SER 5 1HB SER 5 -11.254 4.130 11.085 20 HB3 SER 5 2HB SER 5 -12.681 5.148 11.273 21 HG SER 5 HG SER 5 -10.395 6.027 11.635 22 H SER 6 H SER 6 -11.613 1.868 11.431 23 HA SER 6 HA SER 6 -14.111 0.400 11.595 24 HB2 SER 6 1HB SER 6 -14.370 2.047 9.696 25 HB3 SER 6 2HB SER 6 -13.048 1.210 8.883 26 HG SER 6 HG SER 6 -15.115 0.433 8.243 27 H GLY 7 H GLY 7 -10.894 0.651 10.127 28 HA2 GLY 7 1HA GLY 7 -9.901 -1.740 11.080 29 HA3 GLY 7 2HA GLY 7 -10.672 -2.135 9.550 30 H HIS 8 H HIS 8 -9.309 -2.201 7.907 31 HA HIS 8 HA HIS 8 -6.682 -1.106 8.065 32 HB2 HIS 8 1HB HIS 8 -8.227 -2.415 5.829 33 HB3 HIS 8 2HB HIS 8 -6.574 -1.840 5.630 34 HD2 HIS 8 HD2 HIS 8 -5.666 -4.484 5.296 35 HE1 HIS 8 HE1 HIS 8 -6.462 -5.669 9.291 36 HE2 HIS 8 HE2 HIS 8 -5.266 -6.243 7.150 37 H GLU 9 H GLU 9 -5.807 0.243 6.193 38 HA GLU 9 HA GLU 9 -6.996 2.775 6.251 39 HB2 GLU 9 1HB GLU 9 -5.106 1.809 4.108 40 HB3 GLU 9 2HB GLU 9 -5.323 3.454 4.689 41 HG2 GLU 9 1HG GLU 9 -4.081 1.150 6.167 42 HG3 GLU 9 2HG GLU 9 -3.277 2.599 5.566 43 H ASP 10 H ASP 10 -7.154 3.879 3.837 44 HA ASP 10 HA ASP 10 -8.729 2.308 2.009 45 HB2 ASP 10 1HB ASP 10 -10.002 4.354 3.806 46 HB3 ASP 10 2HB ASP 10 -10.664 4.026 2.207 47 H PHE 11 H PHE 11 -6.313 4.038 2.098 48 HA PHE 11 HA PHE 11 -6.960 5.628 -0.256 49 HB2 PHE 11 1HB PHE 11 -5.407 6.862 2.019 50 HB3 PHE 11 2HB PHE 11 -6.002 7.654 0.563 51 HD1 PHE 11 HD1 PHE 11 -6.892 6.355 3.861 52 HD2 PHE 11 HD2 PHE 11 -8.316 8.306 0.356 53 HE1 PHE 11 HE1 PHE 11 -8.944 6.997 5.057 54 HE2 PHE 11 HE2 PHE 11 -10.370 8.953 1.547 55 HZ PHE 11 HZ PHE 11 -10.686 8.299 3.900 56 H CYS 12 H CYS 12 -5.313 5.766 -1.713 57 HA CYS 12 HA CYS 12 -3.305 3.873 -1.738 58 HB2 CYS 12 1HB CYS 12 -4.116 5.157 -3.716 59 HB3 CYS 12 2HB CYS 12 -3.214 6.553 -3.135 60 H SER 13 H SER 13 -1.219 3.761 -1.076 61 HA SER 13 HA SER 13 -0.331 5.833 0.782 62 HB2 SER 13 1HB SER 13 -0.276 3.101 0.964 63 HB3 SER 13 2HB SER 13 1.371 3.456 0.444 64 HG SER 13 HG SER 13 1.513 4.918 2.213 65 H VAL 14 H VAL 14 -0.254 6.514 -1.948 66 HA VAL 14 HA VAL 14 2.584 7.090 -2.214 67 HB VAL 14 HB VAL 14 1.040 5.748 -4.439 68 HG11 VAL 14 1HG1 VAL 14 2.474 7.407 -5.386 69 HG12 VAL 14 2HG1 VAL 14 3.818 6.913 -4.355 70 HG13 VAL 14 3HG1 VAL 14 3.239 5.836 -5.626 71 HG21 VAL 14 3HG2 VAL 14 1.758 4.166 -2.740 72 HG22 VAL 14 1HG2 VAL 14 2.714 3.963 -4.209 73 HG23 VAL 14 2HG2 VAL 14 3.402 4.800 -2.817 74 H CYS 15 H CYS 15 -0.644 7.430 -3.654 75 HA CYS 15 HA CYS 15 0.049 10.210 -4.346 76 HB2 CYS 15 1HB CYS 15 -1.598 10.085 -6.138 77 HB3 CYS 15 2HB CYS 15 -0.415 8.793 -6.314 78 H ARG 16 H ARG 16 -2.127 8.106 -2.678 79 HA ARG 16 HA ARG 16 -3.825 8.491 -1.215 80 HB2 ARG 16 1HB ARG 16 -2.208 10.927 -1.132 81 HB3 ARG 16 2HB ARG 16 -3.888 11.199 -0.691 82 HG2 ARG 16 1HG ARG 16 -3.768 9.755 1.137 83 HG3 ARG 16 2HG ARG 16 -2.296 8.984 0.545 84 HD2 ARG 16 1HD ARG 16 -1.318 10.331 2.073 85 HD3 ARG 16 2HD ARG 16 -1.424 11.513 0.768 86 HE ARG 16 HE ARG 16 -3.776 11.808 2.080 87 HH11 ARG 16 1HH1 ARG 16 -0.443 11.819 3.083 88 HH12 ARG 16 2HH1 ARG 16 -0.706 12.914 4.399 89 HH21 ARG 16 1HH2 ARG 16 -4.136 13.251 3.810 90 HH22 ARG 16 2HH2 ARG 16 -2.808 13.728 4.812 91 H LYS 17 H LYS 17 -5.393 7.991 -2.793 92 HA LYS 17 HA LYS 17 -7.037 10.288 -3.548 93 HB2 LYS 17 1HB LYS 17 -5.646 8.472 -5.404 94 HB3 LYS 17 2HB LYS 17 -7.354 8.711 -5.752 95 HG2 LYS 17 1HG LYS 17 -7.010 11.123 -5.831 96 HG3 LYS 17 2HG LYS 17 -5.298 10.894 -5.463 97 HD2 LYS 17 1HD LYS 17 -4.936 9.750 -7.531 98 HD3 LYS 17 2HD LYS 17 -6.669 9.694 -7.865 99 HE2 LYS 17 1HE LYS 17 -5.676 11.430 -9.198 100 HE3 LYS 17 2HE LYS 17 -6.679 12.173 -7.954 101 HZ1 LYS 17 3HZ LYS 17 -4.358 12.141 -6.699 102 HZ2 LYS 17 1HZ LYS 17 -4.834 13.423 -7.695 103 HZ3 LYS 17 2HZ LYS 17 -3.787 12.235 -8.288 104 H SER 18 H SER 18 -9.136 9.305 -4.684 105 HA SER 18 HA SER 18 -10.095 7.214 -2.850 106 HB2 SER 18 1HB SER 18 -12.036 8.353 -2.639 107 HB3 SER 18 2HB SER 18 -11.131 9.716 -3.298 108 HG SER 18 HG SER 18 -12.933 7.982 -4.588 109 H GLY 19 H GLY 19 -11.554 5.603 -3.660 110 HA2 GLY 19 1HA GLY 19 -12.666 4.875 -5.846 111 HA3 GLY 19 2HA GLY 19 -11.037 4.988 -6.497 112 H GLN 20 H GLN 20 -10.667 2.884 -6.992 113 HA GLN 20 HA GLN 20 -11.154 0.840 -4.965 114 HB2 GLN 20 1HB GLN 20 -10.231 0.585 -7.832 115 HB3 GLN 20 2HB GLN 20 -10.592 -0.760 -6.758 116 HG2 GLN 20 1HG GLN 20 -12.773 1.155 -6.957 117 HG3 GLN 20 2HG GLN 20 -12.339 0.429 -8.504 118 HE21 GLN 20 1HE2 GLN 20 -12.638 -1.761 -8.819 119 HE22 GLN 20 2HE2 GLN 20 -13.581 -2.735 -7.749 120 H LEU 21 H LEU 21 -9.599 -0.035 -3.753 121 HA LEU 21 HA LEU 21 -6.797 0.381 -4.547 122 HB2 LEU 21 1HB LEU 21 -8.184 1.196 -2.092 123 HB3 LEU 21 2HB LEU 21 -6.658 0.354 -1.829 124 HG LEU 21 HG LEU 21 -6.743 2.656 -3.727 125 HD11 LEU 21 1HD1 LEU 21 -6.238 3.124 -0.822 126 HD12 LEU 21 2HD1 LEU 21 -7.883 3.182 -1.453 127 HD13 LEU 21 3HD1 LEU 21 -6.656 4.277 -2.090 128 HD21 LEU 21 3HD2 LEU 21 -4.496 2.653 -3.489 129 HD22 LEU 21 1HD2 LEU 21 -4.774 0.975 -3.022 130 HD23 LEU 21 2HD2 LEU 21 -4.566 2.212 -1.782 131 H LEU 22 H LEU 22 -5.328 -1.226 -3.908 132 HA LEU 22 HA LEU 22 -6.525 -3.840 -3.588 133 HB2 LEU 22 1HB LEU 22 -4.500 -3.115 -5.074 134 HB3 LEU 22 2HB LEU 22 -3.579 -3.354 -3.590 135 HG LEU 22 HG LEU 22 -4.335 -5.696 -3.521 136 HD11 LEU 22 1HD1 LEU 22 -5.995 -4.767 -5.764 137 HD12 LEU 22 2HD1 LEU 22 -6.279 -6.054 -4.592 138 HD13 LEU 22 3HD1 LEU 22 -5.232 -6.342 -5.982 139 HD21 LEU 22 3HD2 LEU 22 -3.271 -5.576 -6.243 140 HD22 LEU 22 1HD2 LEU 22 -2.603 -6.325 -4.793 141 HD23 LEU 22 2HD2 LEU 22 -2.378 -4.599 -5.077 142 H MET 23 H MET 23 -5.914 -5.351 -1.951 143 HA MET 23 HA MET 23 -5.002 -4.074 0.543 144 HB2 MET 23 1HB MET 23 -6.948 -6.374 0.321 145 HB3 MET 23 2HB MET 23 -6.486 -5.520 1.787 146 HG2 MET 23 1HG MET 23 -7.432 -3.437 0.585 147 HG3 MET 23 2HG MET 23 -8.237 -4.611 -0.454 148 HE1 MET 23 3HE MET 23 -11.107 -3.356 1.636 149 HE2 MET 23 1HE MET 23 -9.746 -2.398 2.219 150 HE3 MET 23 2HE MET 23 -9.884 -2.780 0.502 151 H CYS 24 H CYS 24 -3.461 -5.094 1.728 152 HA CYS 24 HA CYS 24 -2.041 -7.260 0.436 153 HB2 CYS 24 1HB CYS 24 -0.797 -5.376 1.410 154 HB3 CYS 24 2HB CYS 24 -1.441 -5.770 3.001 155 H ASP 25 H ASP 25 -1.679 -9.301 1.282 156 HA ASP 25 HA ASP 25 -3.685 -10.192 3.211 157 HB2 ASP 25 1HB ASP 25 -2.928 -11.275 0.842 158 HB3 ASP 25 2HB ASP 25 -1.900 -12.181 1.949 159 H THR 26 H THR 26 -1.621 -8.696 4.317 160 HA THR 26 HA THR 26 -0.597 -10.573 6.244 161 HB THR 26 HB THR 26 1.693 -9.029 5.446 162 HG1 THR 26 HG1 THR 26 1.973 -9.752 3.375 163 HG21 THR 26 3HG2 THR 26 2.765 -10.943 5.969 164 HG22 THR 26 1HG2 THR 26 1.689 -11.934 4.984 165 HG23 THR 26 2HG2 THR 26 1.196 -11.439 6.604 166 H CYS 27 H CYS 27 0.338 -7.324 5.099 167 HA CYS 27 HA CYS 27 0.149 -6.333 7.832 168 HB2 CYS 27 1HB CYS 27 1.290 -4.367 7.032 169 HB3 CYS 27 2HB CYS 27 2.118 -5.784 6.393 170 H SER 28 H SER 28 -0.522 -3.728 7.527 171 HA SER 28 HA SER 28 -3.274 -3.848 6.477 172 HB2 SER 28 1HB SER 28 -2.765 -3.655 9.070 173 HB3 SER 28 2HB SER 28 -2.549 -1.951 8.671 174 HG SER 28 HG SER 28 -4.752 -2.747 9.269 175 H ARG 29 H ARG 29 -1.689 -3.127 4.586 176 HA ARG 29 HA ARG 29 -1.930 -0.202 4.450 177 HB2 ARG 29 1HB ARG 29 0.431 -1.773 3.403 178 HB3 ARG 29 2HB ARG 29 0.210 -0.031 3.306 179 HG2 ARG 29 1HG ARG 29 0.318 -1.472 5.935 180 HG3 ARG 29 2HG ARG 29 1.773 -0.920 5.103 181 HD2 ARG 29 1HD ARG 29 1.377 1.248 5.576 182 HD3 ARG 29 2HD ARG 29 -0.364 1.083 5.352 183 HE ARG 29 HE ARG 29 0.552 -0.205 7.731 184 HH11 ARG 29 1HH1 ARG 29 -0.332 2.868 6.355 185 HH12 ARG 29 2HH1 ARG 29 -0.776 3.569 7.877 186 HH21 ARG 29 1HH2 ARG 29 -0.029 0.706 9.740 187 HH22 ARG 29 2HH2 ARG 29 -0.603 2.338 9.801 188 H VAL 30 H VAL 30 -2.804 0.554 2.608 189 HA VAL 30 HA VAL 30 -3.480 -1.416 0.539 190 HB VAL 30 HB VAL 30 -5.160 0.251 -0.215 191 HG11 VAL 30 1HG1 VAL 30 -5.154 -1.093 2.399 192 HG12 VAL 30 2HG1 VAL 30 -6.388 0.153 2.196 193 HG13 VAL 30 3HG1 VAL 30 -6.305 -1.201 1.067 194 HG21 VAL 30 3HG2 VAL 30 -5.682 2.162 1.212 195 HG22 VAL 30 1HG2 VAL 30 -4.322 1.758 2.260 196 HG23 VAL 30 2HG2 VAL 30 -4.033 2.266 0.597 197 H TYR 31 H TYR 31 -3.187 -0.954 -1.665 198 HA TYR 31 HA TYR 31 -1.691 1.425 -2.410 199 HB2 TYR 31 1HB TYR 31 -0.585 -1.333 -2.968 200 HB3 TYR 31 2HB TYR 31 0.137 0.202 -3.436 201 HD1 TYR 31 HD1 TYR 31 1.131 1.677 -1.717 202 HD2 TYR 31 HD2 TYR 31 -0.323 -2.204 -0.756 203 HE1 TYR 31 HE1 TYR 31 2.388 1.736 0.396 204 HE2 TYR 31 HE2 TYR 31 0.929 -2.156 1.360 205 HH TYR 31 HH TYR 31 2.294 0.667 2.624 206 H HIS 32 H HIS 32 -2.158 2.093 -4.427 207 HA HIS 32 HA HIS 32 -4.323 1.040 -5.832 208 HB2 HIS 32 1HB HIS 32 -2.196 3.038 -6.439 209 HB3 HIS 32 2HB HIS 32 -3.174 2.444 -7.778 210 HD2 HIS 32 HD2 HIS 32 -5.947 2.402 -5.700 211 HE1 HIS 32 HE1 HIS 32 -5.358 6.591 -6.025 212 HE2 HIS 32 HE2 HIS 32 -6.938 4.761 -5.318 213 H LEU 33 H LEU 33 -3.967 0.630 -8.369 214 HA LEU 33 HA LEU 33 -2.411 -1.829 -8.481 215 HB2 LEU 33 1HB LEU 33 -4.607 -0.628 -10.096 216 HB3 LEU 33 2HB LEU 33 -3.556 -1.825 -10.851 217 HG LEU 33 HG LEU 33 -5.186 -2.287 -8.354 218 HD11 LEU 33 1HD1 LEU 33 -6.899 -2.999 -9.601 219 HD12 LEU 33 2HD1 LEU 33 -5.844 -3.780 -10.778 220 HD13 LEU 33 3HD1 LEU 33 -6.163 -2.049 -10.893 221 HD21 LEU 33 3HD2 LEU 33 -3.280 -3.948 -9.943 222 HD22 LEU 33 1HD2 LEU 33 -4.638 -4.717 -9.121 223 HD23 LEU 33 2HD2 LEU 33 -3.453 -3.796 -8.194 224 H ASP 34 H ASP 34 -2.343 1.416 -9.681 225 HA ASP 34 HA ASP 34 -0.196 0.753 -11.567 226 HB2 ASP 34 1HB ASP 34 -0.619 2.791 -12.655 227 HB3 ASP 34 2HB ASP 34 -2.220 2.211 -12.206 228 H CYS 35 H CYS 35 -0.774 2.130 -8.487 229 HA CYS 35 HA CYS 35 1.832 3.466 -8.443 230 HB2 CYS 35 1HB CYS 35 -0.246 3.437 -6.252 231 HB3 CYS 35 2HB CYS 35 1.111 4.544 -6.433 232 H LEU 36 H LEU 36 2.430 0.967 -8.659 233 HA LEU 36 HA LEU 36 2.974 0.012 -5.925 234 HB2 LEU 36 1HB LEU 36 2.263 -1.489 -8.417 235 HB3 LEU 36 2HB LEU 36 3.177 -2.269 -7.128 236 HG LEU 36 HG LEU 36 0.411 -1.089 -6.872 237 HD11 LEU 36 1HD1 LEU 36 1.351 -3.650 -7.767 238 HD12 LEU 36 2HD1 LEU 36 -0.297 -3.031 -7.672 239 HD13 LEU 36 3HD1 LEU 36 0.429 -3.822 -6.273 240 HD21 LEU 36 3HD2 LEU 36 0.489 -2.295 -4.658 241 HD22 LEU 36 1HD2 LEU 36 1.491 -0.848 -4.778 242 HD23 LEU 36 2HD2 LEU 36 2.231 -2.445 -4.895 243 H ASP 37 H ASP 37 4.852 -1.779 -6.185 244 HA ASP 37 HA ASP 37 6.927 -0.873 -8.009 245 HB2 ASP 37 1HB ASP 37 6.833 0.212 -5.463 246 HB3 ASP 37 2HB ASP 37 7.996 -1.101 -5.302 247 HA PRO 38 HA PRO 38 7.503 -1.798 -9.543 248 HB2 PRO 38 1HB PRO 38 6.725 -3.713 -11.304 249 HB3 PRO 38 2HB PRO 38 8.399 -3.525 -10.765 250 HG2 PRO 38 1HG PRO 38 6.309 -5.451 -9.822 251 HG3 PRO 38 2HG PRO 38 8.025 -5.741 -10.164 252 HD2 PRO 38 1HD PRO 38 7.078 -5.409 -7.650 253 HD3 PRO 38 2HD PRO 38 8.704 -4.888 -8.134 254 HA PRO 39 HA PRO 39 3.243 -0.810 -9.997 255 HB2 PRO 39 1HB PRO 39 3.037 -0.219 -12.639 256 HB3 PRO 39 2HB PRO 39 3.868 0.828 -11.482 257 HG2 PRO 39 1HG PRO 39 5.017 -1.164 -13.398 258 HG3 PRO 39 2HG PRO 39 5.584 0.471 -13.010 259 HD2 PRO 39 1HD PRO 39 6.717 -1.752 -11.957 260 HD3 PRO 39 2HD PRO 39 6.628 -0.215 -11.073 261 H LEU 40 H LEU 40 1.217 -1.553 -10.719 262 HA LEU 40 HA LEU 40 1.284 -4.150 -12.109 263 HB2 LEU 40 1HB LEU 40 -0.026 -3.278 -9.638 264 HB3 LEU 40 2HB LEU 40 -1.080 -4.156 -10.745 265 HG LEU 40 HG LEU 40 1.518 -5.171 -9.593 266 HD11 LEU 40 1HD1 LEU 40 -0.835 -6.702 -8.978 267 HD12 LEU 40 2HD1 LEU 40 -1.026 -5.033 -8.444 268 HD13 LEU 40 3HD1 LEU 40 0.352 -5.983 -7.890 269 HD21 LEU 40 3HD2 LEU 40 -0.397 -6.271 -11.611 270 HD22 LEU 40 1HD2 LEU 40 0.527 -7.355 -10.571 271 HD23 LEU 40 2HD2 LEU 40 1.366 -6.235 -11.644 272 H LYS 41 H LYS 41 -1.130 -4.660 -12.853 273 HA LYS 41 HA LYS 41 -2.316 -2.271 -14.068 274 HB2 LYS 41 1HB LYS 41 -0.842 -3.139 -15.778 275 HB3 LYS 41 2HB LYS 41 -1.485 -4.762 -15.565 276 HG2 LYS 41 1HG LYS 41 -3.292 -4.355 -16.836 277 HG3 LYS 41 2HG LYS 41 -3.474 -2.705 -16.236 278 HD2 LYS 41 1HD LYS 41 -2.862 -2.304 -18.414 279 HD3 LYS 41 2HD LYS 41 -1.283 -2.296 -17.625 280 HE2 LYS 41 1HE LYS 41 -0.603 -4.021 -18.851 281 HE3 LYS 41 2HE LYS 41 -2.005 -4.974 -18.369 282 HZ1 LYS 41 3HZ LYS 41 -1.478 -3.957 -20.871 283 HZ2 LYS 41 1HZ LYS 41 -2.730 -2.992 -20.268 284 HZ3 LYS 41 2HZ LYS 41 -2.920 -4.671 -20.350 285 H THR 42 H THR 42 -2.799 -5.782 -14.416 286 HA THR 42 HA THR 42 -5.644 -5.403 -13.884 287 HB THR 42 HB THR 42 -5.993 -7.601 -14.758 288 HG1 THR 42 HG1 THR 42 -4.493 -9.081 -14.598 289 HG21 THR 42 3HG2 THR 42 -5.305 -7.318 -16.978 290 HG22 THR 42 1HG2 THR 42 -3.802 -6.525 -16.509 291 HG23 THR 42 2HG2 THR 42 -5.338 -5.676 -16.335 292 H ILE 43 H ILE 43 -6.445 -7.749 -12.842 293 HA ILE 43 HA ILE 43 -5.739 -7.486 -10.093 294 HB ILE 43 HB ILE 43 -7.362 -9.651 -11.436 295 HG12 ILE 43 1HG1 ILE 43 -8.235 -7.098 -10.065 296 HG13 ILE 43 2HG1 ILE 43 -8.289 -7.402 -11.798 297 HG21 ILE 43 1HG2 ILE 43 -7.519 -10.629 -9.452 298 HG22 ILE 43 2HG2 ILE 43 -6.381 -9.452 -8.798 299 HG23 ILE 43 3HG2 ILE 43 -8.114 -9.131 -8.735 300 HD11 ILE 43 3HD1 ILE 43 -9.771 -9.426 -11.112 301 HD12 ILE 43 1HD1 ILE 43 -10.002 -8.503 -9.627 302 HD13 ILE 43 2HD1 ILE 43 -10.458 -7.804 -11.181 303 HA PRO 44 HA PRO 44 -2.193 -10.207 -10.394 304 HB2 PRO 44 1HB PRO 44 -1.415 -9.876 -7.814 305 HB3 PRO 44 2HB PRO 44 -1.088 -8.683 -9.077 306 HG2 PRO 44 1HG PRO 44 -3.250 -8.706 -7.007 307 HG3 PRO 44 2HG PRO 44 -2.239 -7.356 -7.554 308 HD2 PRO 44 1HD PRO 44 -4.780 -7.716 -8.418 309 HD3 PRO 44 2HD PRO 44 -3.517 -6.997 -9.438 310 H LYS 45 H LYS 45 -3.514 -12.100 -10.652 311 HA LYS 45 HA LYS 45 -4.993 -13.393 -8.714 312 HB2 LYS 45 1HB LYS 45 -3.522 -14.266 -11.144 313 HB3 LYS 45 2HB LYS 45 -4.025 -15.521 -10.020 314 HG2 LYS 45 1HG LYS 45 -6.050 -13.510 -10.817 315 HG3 LYS 45 2HG LYS 45 -5.558 -14.704 -12.020 316 HD2 LYS 45 1HD LYS 45 -6.274 -16.502 -10.682 317 HD3 LYS 45 2HD LYS 45 -6.378 -15.492 -9.238 318 HE2 LYS 45 1HE LYS 45 -8.327 -14.426 -9.991 319 HE3 LYS 45 2HE LYS 45 -8.091 -14.977 -11.649 320 HZ1 LYS 45 3HZ LYS 45 -9.851 -16.159 -10.313 321 HZ2 LYS 45 1HZ LYS 45 -8.596 -16.854 -9.416 322 HZ3 LYS 45 2HZ LYS 45 -8.713 -17.151 -11.077 323 H GLY 46 H GLY 46 -4.441 -15.444 -7.562 324 HA2 GLY 46 1HA GLY 46 -3.149 -16.671 -6.103 325 HA3 GLY 46 2HA GLY 46 -1.727 -16.020 -6.905 326 H MET 47 H MET 47 -1.882 -16.443 -4.138 327 HA MET 47 HA MET 47 -2.642 -14.309 -2.562 328 HB2 MET 47 1HB MET 47 -1.743 -16.514 -1.768 329 HB3 MET 47 2HB MET 47 -0.129 -15.939 -2.165 330 HG2 MET 47 1HG MET 47 -0.744 -13.950 -0.614 331 HG3 MET 47 2HG MET 47 -1.974 -15.051 0.002 332 HE1 MET 47 3HE MET 47 1.208 -14.746 2.468 333 HE2 MET 47 1HE MET 47 0.162 -13.630 1.588 334 HE3 MET 47 2HE MET 47 -0.545 -14.869 2.624 335 H TRP 48 H TRP 48 -2.254 -12.252 -3.143 336 HA TRP 48 HA TRP 48 0.384 -11.485 -4.118 337 HB2 TRP 48 1HB TRP 48 -1.631 -10.630 -5.267 338 HB3 TRP 48 2HB TRP 48 -2.120 -9.819 -3.782 339 HD1 TRP 48 HD1 TRP 48 0.480 -9.602 -6.592 340 HE1 TRP 48 HE1 TRP 48 1.510 -7.243 -6.571 341 HE3 TRP 48 HE3 TRP 48 -1.646 -7.825 -2.295 342 HZ2 TRP 48 HZ2 TRP 48 1.432 -4.935 -4.948 343 HZ3 TRP 48 HZ3 TRP 48 -1.116 -5.532 -1.578 344 HH2 TRP 48 HH2 TRP 48 0.391 -4.118 -2.878 345 H ILE 49 H ILE 49 1.731 -10.013 -3.101 346 HA ILE 49 HA ILE 49 0.971 -9.097 -0.423 347 HB ILE 49 HB ILE 49 3.571 -10.510 -1.026 348 HG12 ILE 49 1HG1 ILE 49 1.242 -11.346 0.716 349 HG13 ILE 49 2HG1 ILE 49 1.648 -12.044 -0.849 350 HG21 ILE 49 1HG2 ILE 49 2.859 -8.622 0.992 351 HG22 ILE 49 2HG2 ILE 49 3.146 -10.191 1.743 352 HG23 ILE 49 3HG2 ILE 49 4.395 -9.452 0.741 353 HD11 ILE 49 3HD1 ILE 49 2.531 -12.857 1.673 354 HD12 ILE 49 1HD1 ILE 49 3.060 -13.452 0.100 355 HD13 ILE 49 2HD1 ILE 49 3.928 -12.130 0.880 356 H CYS 50 H CYS 50 1.454 -7.024 -0.126 357 HA CYS 50 HA CYS 50 2.497 -5.363 -2.067 358 HB2 CYS 50 1HB CYS 50 2.570 -3.645 -0.412 359 HB3 CYS 50 2HB CYS 50 1.207 -4.683 -0.006 360 HA PRO 51 HA PRO 51 6.863 -5.815 -2.031 361 HB2 PRO 51 1HB PRO 51 7.653 -3.283 -2.611 362 HB3 PRO 51 2HB PRO 51 6.906 -4.354 -3.803 363 HG2 PRO 51 1HG PRO 51 5.667 -2.156 -2.192 364 HG3 PRO 51 2HG PRO 51 5.443 -2.549 -3.906 365 HD2 PRO 51 1HD PRO 51 3.655 -3.263 -2.003 366 HD3 PRO 51 2HD PRO 51 3.950 -4.245 -3.453 367 H ARG 52 H ARG 52 5.266 -3.787 0.206 368 HA ARG 52 HA ARG 52 7.612 -2.886 1.603 369 HB2 ARG 52 1HB ARG 52 4.833 -2.292 1.636 370 HB3 ARG 52 2HB ARG 52 5.287 -2.788 3.261 371 HG2 ARG 52 1HG ARG 52 6.863 -0.737 1.747 372 HG3 ARG 52 2HG ARG 52 5.431 -0.309 2.686 373 HD2 ARG 52 1HD ARG 52 7.219 -2.010 4.193 374 HD3 ARG 52 2HD ARG 52 8.041 -0.559 3.621 375 HE ARG 52 HE ARG 52 6.010 -0.712 5.638 376 HH11 ARG 52 1HH1 ARG 52 7.471 1.329 3.225 377 HH12 ARG 52 2HH1 ARG 52 7.012 2.805 4.008 378 HH21 ARG 52 1HH2 ARG 52 5.400 1.224 6.678 379 HH22 ARG 52 2HH2 ARG 52 5.834 2.744 5.973 380 H CYS 53 H CYS 53 5.571 -5.671 1.671 381 HA CYS 53 HA CYS 53 6.427 -6.510 4.309 382 HB2 CYS 53 1HB CYS 53 4.572 -7.598 2.227 383 HB3 CYS 53 2HB CYS 53 5.181 -8.675 3.479 384 H GLN 54 H GLN 54 6.730 -7.819 1.004 385 HA GLN 54 HA GLN 54 8.452 -9.908 1.539 386 HB2 GLN 54 1HB GLN 54 8.257 -8.139 -0.898 387 HB3 GLN 54 2HB GLN 54 9.245 -9.592 -0.838 388 HG2 GLN 54 1HG GLN 54 6.437 -9.925 -0.027 389 HG3 GLN 54 2HG GLN 54 6.709 -9.527 -1.723 390 HE21 GLN 54 1HE2 GLN 54 7.201 -11.124 -3.059 391 HE22 GLN 54 2HE2 GLN 54 7.690 -12.714 -2.593 392 H ASP 55 H ASP 55 9.138 -6.493 1.274 393 HA ASP 55 HA ASP 55 11.925 -7.054 2.035 394 HB2 ASP 55 1HB ASP 55 10.915 -5.049 0.018 395 HB3 ASP 55 2HB ASP 55 12.519 -4.945 0.740 396 H GLN 56 H GLN 56 12.530 -6.103 3.865 397 HA GLN 56 HA GLN 56 11.786 -3.485 4.629 398 HB2 GLN 56 1HB GLN 56 9.721 -5.113 5.093 399 HB3 GLN 56 2HB GLN 56 10.632 -5.426 6.565 400 HG2 GLN 56 1HG GLN 56 10.665 -2.978 6.990 401 HG3 GLN 56 2HG GLN 56 9.605 -2.770 5.597 402 HE21 GLN 56 1HE2 GLN 56 9.811 -3.524 8.903 403 HE22 GLN 56 2HE2 GLN 56 8.139 -3.865 9.174 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -22.376 -3.929 20.375 2 HA2 GLY 1 1HA GLY 1 -23.909 -3.587 18.244 3 HA3 GLY 1 2HA GLY 1 -22.829 -2.300 18.759 4 H SER 2 H SER 2 -20.371 -3.351 18.051 5 HA SER 2 HA SER 2 -20.322 -4.330 15.383 6 HB2 SER 2 1HB SER 2 -20.781 -1.551 15.631 7 HB3 SER 2 2HB SER 2 -19.106 -1.738 15.114 8 HG SER 2 HG SER 2 -21.054 -3.280 13.838 9 H SER 3 H SER 3 -18.371 -5.183 14.954 10 HA SER 3 HA SER 3 -16.180 -4.529 16.811 11 HB2 SER 3 1HB SER 3 -16.280 -7.057 15.192 12 HB3 SER 3 2HB SER 3 -15.454 -6.749 16.719 13 HG SER 3 HG SER 3 -17.182 -7.382 17.715 14 H GLY 4 H GLY 4 -14.006 -4.541 15.973 15 HA2 GLY 4 1HA GLY 4 -13.930 -3.582 13.194 16 HA3 GLY 4 2HA GLY 4 -12.737 -3.222 14.433 17 H SER 5 H SER 5 -14.081 -5.961 12.605 18 HA SER 5 HA SER 5 -11.924 -7.709 13.089 19 HB2 SER 5 1HB SER 5 -12.839 -9.052 11.258 20 HB3 SER 5 2HB SER 5 -14.138 -8.470 12.298 21 HG SER 5 HG SER 5 -14.947 -7.750 10.497 22 H SER 6 H SER 6 -12.450 -5.199 10.722 23 HA SER 6 HA SER 6 -9.794 -5.780 9.580 24 HB2 SER 6 1HB SER 6 -11.538 -6.176 7.918 25 HB3 SER 6 2HB SER 6 -12.202 -4.566 8.200 26 HG SER 6 HG SER 6 -9.586 -5.113 7.239 27 H GLY 7 H GLY 7 -8.332 -4.155 9.503 28 HA2 GLY 7 1HA GLY 7 -9.253 -1.447 10.221 29 HA3 GLY 7 2HA GLY 7 -7.902 -2.181 11.073 30 H HIS 8 H HIS 8 -8.560 -2.470 7.624 31 HA HIS 8 HA HIS 8 -5.905 -1.448 7.052 32 HB2 HIS 8 1HB HIS 8 -8.046 -2.682 5.316 33 HB3 HIS 8 2HB HIS 8 -6.523 -2.071 4.677 34 HD2 HIS 8 HD2 HIS 8 -5.087 -4.301 4.145 35 HE1 HIS 8 HE1 HIS 8 -5.848 -6.374 7.768 36 HE2 HIS 8 HE2 HIS 8 -4.532 -6.352 5.621 37 H GLU 9 H GLU 9 -5.439 0.352 5.799 38 HA GLU 9 HA GLU 9 -7.077 2.592 6.111 39 HB2 GLU 9 1HB GLU 9 -4.960 2.261 3.985 40 HB3 GLU 9 2HB GLU 9 -5.521 3.763 4.707 41 HG2 GLU 9 1HG GLU 9 -4.682 2.656 6.923 42 HG3 GLU 9 2HG GLU 9 -3.709 1.683 5.822 43 H ASP 10 H ASP 10 -7.438 3.990 3.918 44 HA ASP 10 HA ASP 10 -8.798 2.336 1.927 45 HB2 ASP 10 1HB ASP 10 -10.120 4.478 3.593 46 HB3 ASP 10 2HB ASP 10 -10.779 3.931 2.053 47 H PHE 11 H PHE 11 -6.390 4.078 2.050 48 HA PHE 11 HA PHE 11 -6.998 5.645 -0.331 49 HB2 PHE 11 1HB PHE 11 -5.498 6.906 1.965 50 HB3 PHE 11 2HB PHE 11 -6.065 7.682 0.489 51 HD1 PHE 11 HD2 PHE 11 -8.561 7.898 0.132 52 HD2 PHE 11 HD1 PHE 11 -6.836 6.833 3.874 53 HE1 PHE 11 HE2 PHE 11 -10.642 8.546 1.271 54 HE2 PHE 11 HE1 PHE 11 -8.915 7.478 5.020 55 HZ PHE 11 HZ PHE 11 -10.822 8.337 3.719 56 H CYS 12 H CYS 12 -5.309 5.811 -1.747 57 HA CYS 12 HA CYS 12 -3.302 3.917 -1.735 58 HB2 CYS 12 1HB CYS 12 -4.057 5.211 -3.725 59 HB3 CYS 12 2HB CYS 12 -3.183 6.609 -3.109 60 H SER 13 H SER 13 -1.242 3.792 -1.008 61 HA SER 13 HA SER 13 -0.396 5.857 0.878 62 HB2 SER 13 1HB SER 13 0.347 2.982 0.441 63 HB3 SER 13 2HB SER 13 1.433 4.044 1.337 64 HG SER 13 HG SER 13 -0.070 2.952 2.695 65 H VAL 14 H VAL 14 -0.236 6.529 -1.855 66 HA VAL 14 HA VAL 14 2.610 7.097 -2.035 67 HB VAL 14 HB VAL 14 1.134 5.748 -4.300 68 HG11 VAL 14 1HG1 VAL 14 3.578 5.783 -5.225 69 HG12 VAL 14 2HG1 VAL 14 2.540 7.199 -5.406 70 HG13 VAL 14 3HG1 VAL 14 3.761 7.155 -4.133 71 HG21 VAL 14 3HG2 VAL 14 1.739 4.074 -2.754 72 HG22 VAL 14 1HG2 VAL 14 2.994 4.046 -3.993 73 HG23 VAL 14 2HG2 VAL 14 3.306 4.819 -2.438 74 H CYS 15 H CYS 15 -0.570 7.437 -3.577 75 HA CYS 15 HA CYS 15 0.150 10.212 -4.262 76 HB2 CYS 15 1HB CYS 15 -1.399 10.089 -6.118 77 HB3 CYS 15 2HB CYS 15 -0.271 8.740 -6.222 78 H ARG 16 H ARG 16 -2.061 8.129 -2.626 79 HA ARG 16 HA ARG 16 -3.797 8.528 -1.211 80 HB2 ARG 16 1HB ARG 16 -2.985 11.434 -1.318 81 HB3 ARG 16 2HB ARG 16 -3.890 10.623 -0.046 82 HG2 ARG 16 1HG ARG 16 -1.910 9.282 0.494 83 HG3 ARG 16 2HG ARG 16 -1.007 10.132 -0.762 84 HD2 ARG 16 1HD ARG 16 -2.280 12.030 0.965 85 HD3 ARG 16 2HD ARG 16 -1.359 10.877 1.931 86 HE ARG 16 HE ARG 16 -0.309 12.917 0.238 87 HH11 ARG 16 1HH1 ARG 16 0.298 9.724 1.486 88 HH12 ARG 16 2HH1 ARG 16 2.019 9.851 1.334 89 HH21 ARG 16 1HH2 ARG 16 1.955 13.096 0.033 90 HH22 ARG 16 2HH2 ARG 16 2.961 11.769 0.508 91 H LYS 17 H LYS 17 -5.242 7.982 -2.937 92 HA LYS 17 HA LYS 17 -6.953 10.232 -3.683 93 HB2 LYS 17 1HB LYS 17 -5.330 8.658 -5.525 94 HB3 LYS 17 2HB LYS 17 -7.038 8.624 -5.940 95 HG2 LYS 17 1HG LYS 17 -7.018 11.129 -5.825 96 HG3 LYS 17 2HG LYS 17 -5.262 11.035 -5.670 97 HD2 LYS 17 1HD LYS 17 -4.970 10.368 -7.834 98 HD3 LYS 17 2HD LYS 17 -6.532 9.549 -7.906 99 HE2 LYS 17 1HE LYS 17 -6.645 11.460 -9.330 100 HE3 LYS 17 2HE LYS 17 -7.621 11.798 -7.901 101 HZ1 LYS 17 3HZ LYS 17 -4.899 12.638 -7.604 102 HZ2 LYS 17 1HZ LYS 17 -6.329 13.508 -7.359 103 HZ3 LYS 17 2HZ LYS 17 -5.664 13.395 -8.909 104 H SER 18 H SER 18 -9.090 9.512 -4.480 105 HA SER 18 HA SER 18 -10.046 7.326 -2.853 106 HB2 SER 18 1HB SER 18 -12.079 8.324 -2.996 107 HB3 SER 18 2HB SER 18 -11.152 9.703 -3.585 108 HG SER 18 HG SER 18 -12.997 8.258 -4.871 109 H GLY 19 H GLY 19 -11.862 5.939 -3.963 110 HA2 GLY 19 1HA GLY 19 -12.507 4.841 -6.046 111 HA3 GLY 19 2HA GLY 19 -10.834 4.987 -6.563 112 H GLN 20 H GLN 20 -10.997 2.681 -6.991 113 HA GLN 20 HA GLN 20 -11.239 0.904 -4.721 114 HB2 GLN 20 1HB GLN 20 -10.950 0.580 -7.670 115 HB3 GLN 20 2HB GLN 20 -10.457 -0.759 -6.641 116 HG2 GLN 20 1HG GLN 20 -12.566 -1.413 -6.593 117 HG3 GLN 20 2HG GLN 20 -12.945 0.039 -5.667 118 HE21 GLN 20 1HE2 GLN 20 -13.697 1.890 -6.786 119 HE22 GLN 20 2HE2 GLN 20 -14.457 1.743 -8.330 120 H LEU 21 H LEU 21 -9.621 -0.030 -3.609 121 HA LEU 21 HA LEU 21 -6.871 0.333 -4.590 122 HB2 LEU 21 1HB LEU 21 -8.091 1.229 -2.074 123 HB3 LEU 21 2HB LEU 21 -6.556 0.382 -1.889 124 HG LEU 21 HG LEU 21 -6.665 2.570 -3.890 125 HD11 LEU 21 1HD1 LEU 21 -7.885 3.267 -1.703 126 HD12 LEU 21 2HD1 LEU 21 -6.654 4.324 -2.393 127 HD13 LEU 21 3HD1 LEU 21 -6.259 3.291 -1.020 128 HD21 LEU 21 3HD2 LEU 21 -4.430 2.597 -3.600 129 HD22 LEU 21 1HD2 LEU 21 -4.702 0.979 -2.951 130 HD23 LEU 21 2HD2 LEU 21 -4.543 2.354 -1.856 131 H LEU 22 H LEU 22 -5.371 -1.262 -3.965 132 HA LEU 22 HA LEU 22 -6.555 -3.862 -3.553 133 HB2 LEU 22 1HB LEU 22 -4.544 -3.152 -5.077 134 HB3 LEU 22 2HB LEU 22 -3.609 -3.392 -3.602 135 HG LEU 22 HG LEU 22 -4.388 -5.726 -3.513 136 HD11 LEU 22 1HD1 LEU 22 -5.991 -4.817 -5.834 137 HD12 LEU 22 2HD1 LEU 22 -6.389 -5.969 -4.559 138 HD13 LEU 22 3HD1 LEU 22 -5.333 -6.453 -5.886 139 HD21 LEU 22 3HD2 LEU 22 -2.690 -6.396 -4.818 140 HD22 LEU 22 1HD2 LEU 22 -2.422 -4.670 -5.063 141 HD23 LEU 22 2HD2 LEU 22 -3.341 -5.597 -6.250 142 H MET 23 H MET 23 -5.913 -5.344 -1.900 143 HA MET 23 HA MET 23 -4.939 -4.028 0.551 144 HB2 MET 23 1HB MET 23 -6.935 -6.292 0.438 145 HB3 MET 23 2HB MET 23 -6.436 -5.387 1.861 146 HG2 MET 23 1HG MET 23 -7.429 -3.352 0.843 147 HG3 MET 23 2HG MET 23 -8.038 -4.360 -0.467 148 HE1 MET 23 3HE MET 23 -10.293 -3.059 0.261 149 HE2 MET 23 1HE MET 23 -11.193 -3.415 1.735 150 HE3 MET 23 2HE MET 23 -9.733 -2.429 1.811 151 H CYS 24 H CYS 24 -3.364 -5.033 1.686 152 HA CYS 24 HA CYS 24 -1.991 -7.220 0.421 153 HB2 CYS 24 1HB CYS 24 -0.756 -5.370 1.481 154 HB3 CYS 24 2HB CYS 24 -1.428 -5.821 3.044 155 H ASP 25 H ASP 25 -1.659 -9.285 1.229 156 HA ASP 25 HA ASP 25 -3.732 -10.213 3.067 157 HB2 ASP 25 1HB ASP 25 -2.833 -11.246 0.704 158 HB3 ASP 25 2HB ASP 25 -1.923 -12.204 1.870 159 H THR 26 H THR 26 -1.651 -8.735 4.236 160 HA THR 26 HA THR 26 -0.735 -10.644 6.190 161 HB THR 26 HB THR 26 1.610 -9.146 5.506 162 HG1 THR 26 HG1 THR 26 1.916 -9.691 3.420 163 HG21 THR 26 3HG2 THR 26 1.058 -12.106 5.288 164 HG22 THR 26 1HG2 THR 26 1.487 -11.273 6.781 165 HG23 THR 26 2HG2 THR 26 2.636 -11.334 5.445 166 H CYS 27 H CYS 27 0.295 -7.404 5.105 167 HA CYS 27 HA CYS 27 0.053 -6.429 7.836 168 HB2 CYS 27 1HB CYS 27 1.191 -4.444 7.047 169 HB3 CYS 27 2HB CYS 27 2.045 -5.865 6.457 170 H SER 28 H SER 28 -0.601 -3.814 7.532 171 HA SER 28 HA SER 28 -3.338 -3.915 6.441 172 HB2 SER 28 1HB SER 28 -2.286 -2.884 9.037 173 HB3 SER 28 2HB SER 28 -3.639 -2.031 8.293 174 HG SER 28 HG SER 28 -3.717 -4.828 8.537 175 H ARG 29 H ARG 29 -1.937 -3.161 4.523 176 HA ARG 29 HA ARG 29 -2.107 -0.241 4.447 177 HB2 ARG 29 1HB ARG 29 0.275 -1.707 3.315 178 HB3 ARG 29 2HB ARG 29 0.050 0.031 3.459 179 HG2 ARG 29 1HG ARG 29 -0.157 -0.674 6.043 180 HG3 ARG 29 2HG ARG 29 0.927 -1.940 5.461 181 HD2 ARG 29 1HD ARG 29 2.613 -0.477 5.004 182 HD3 ARG 29 2HD ARG 29 1.509 0.848 4.635 183 HE ARG 29 HE ARG 29 1.449 0.157 7.398 184 HH11 ARG 29 1HH1 ARG 29 3.273 1.884 4.987 185 HH12 ARG 29 2HH1 ARG 29 3.972 2.991 6.121 186 HH21 ARG 29 1HH2 ARG 29 2.363 1.609 8.901 187 HH22 ARG 29 2HH2 ARG 29 3.455 2.833 8.347 188 H VAL 30 H VAL 30 -2.899 0.545 2.571 189 HA VAL 30 HA VAL 30 -3.550 -1.415 0.483 190 HB VAL 30 HB VAL 30 -5.211 0.246 -0.298 191 HG11 VAL 30 1HG1 VAL 30 -5.409 -1.485 1.788 192 HG12 VAL 30 2HG1 VAL 30 -5.939 0.023 2.535 193 HG13 VAL 30 3HG1 VAL 30 -6.760 -0.587 1.098 194 HG21 VAL 30 3HG2 VAL 30 -3.730 1.998 1.334 195 HG22 VAL 30 1HG2 VAL 30 -5.163 2.363 0.373 196 HG23 VAL 30 2HG2 VAL 30 -5.333 1.870 2.057 197 H TYR 31 H TYR 31 -3.207 -0.943 -1.712 198 HA TYR 31 HA TYR 31 -1.675 1.428 -2.409 199 HB2 TYR 31 1HB TYR 31 -0.585 -1.336 -2.970 200 HB3 TYR 31 2HB TYR 31 0.163 0.198 -3.405 201 HD1 TYR 31 HD2 TYR 31 1.139 1.639 -1.650 202 HD2 TYR 31 HD1 TYR 31 -0.389 -2.230 -0.759 203 HE1 TYR 31 HE2 TYR 31 2.349 1.661 0.492 204 HE2 TYR 31 HE1 TYR 31 0.816 -2.219 1.385 205 HH TYR 31 HH TYR 31 3.231 -0.573 2.130 206 H HIS 32 H HIS 32 -2.104 2.119 -4.426 207 HA HIS 32 HA HIS 32 -4.246 1.091 -5.884 208 HB2 HIS 32 1HB HIS 32 -2.104 3.091 -6.417 209 HB3 HIS 32 2HB HIS 32 -3.037 2.507 -7.792 210 HD2 HIS 32 HD2 HIS 32 -5.902 2.444 -5.889 211 HE1 HIS 32 HE1 HIS 32 -5.264 6.637 -6.014 212 HE2 HIS 32 HE2 HIS 32 -6.896 4.796 -5.475 213 H LEU 33 H LEU 33 -3.845 0.703 -8.416 214 HA LEU 33 HA LEU 33 -2.301 -1.763 -8.522 215 HB2 LEU 33 1HB LEU 33 -4.436 -0.524 -10.198 216 HB3 LEU 33 2HB LEU 33 -3.393 -1.758 -10.903 217 HG LEU 33 HG LEU 33 -5.137 -2.128 -8.468 218 HD11 LEU 33 1HD1 LEU 33 -6.440 -3.610 -9.974 219 HD12 LEU 33 2HD1 LEU 33 -5.485 -3.008 -11.329 220 HD13 LEU 33 3HD1 LEU 33 -6.515 -1.904 -10.418 221 HD21 LEU 33 3HD2 LEU 33 -3.908 -3.930 -8.063 222 HD22 LEU 33 1HD2 LEU 33 -2.906 -3.604 -9.478 223 HD23 LEU 33 2HD2 LEU 33 -4.372 -4.572 -9.639 224 H ASP 34 H ASP 34 -2.182 1.493 -9.682 225 HA ASP 34 HA ASP 34 -0.001 0.835 -11.530 226 HB2 ASP 34 1HB ASP 34 -2.049 2.923 -11.422 227 HB3 ASP 34 2HB ASP 34 -0.439 3.549 -11.765 228 H CYS 35 H CYS 35 -0.642 2.196 -8.452 229 HA CYS 35 HA CYS 35 1.968 3.517 -8.338 230 HB2 CYS 35 1HB CYS 35 -0.154 3.467 -6.191 231 HB3 CYS 35 2HB CYS 35 1.210 4.573 -6.330 232 H LEU 36 H LEU 36 2.556 1.014 -8.573 233 HA LEU 36 HA LEU 36 3.047 0.027 -5.840 234 HB2 LEU 36 1HB LEU 36 2.378 -1.442 -8.361 235 HB3 LEU 36 2HB LEU 36 3.265 -2.241 -7.065 236 HG LEU 36 HG LEU 36 0.499 -1.053 -6.846 237 HD11 LEU 36 1HD1 LEU 36 0.497 -3.794 -6.282 238 HD12 LEU 36 2HD1 LEU 36 1.445 -3.606 -7.757 239 HD13 LEU 36 3HD1 LEU 36 -0.203 -2.982 -7.684 240 HD21 LEU 36 3HD2 LEU 36 2.373 -2.268 -4.860 241 HD22 LEU 36 1HD2 LEU 36 0.630 -2.457 -4.662 242 HD23 LEU 36 2HD2 LEU 36 1.343 -0.844 -4.707 243 H ASP 37 H ASP 37 4.923 -1.770 -6.087 244 HA ASP 37 HA ASP 37 7.035 -0.852 -7.861 245 HB2 ASP 37 1HB ASP 37 6.906 0.244 -5.339 246 HB3 ASP 37 2HB ASP 37 8.012 -1.108 -5.108 247 HA PRO 38 HA PRO 38 7.638 -1.764 -9.392 248 HB2 PRO 38 1HB PRO 38 6.887 -3.657 -11.186 249 HB3 PRO 38 2HB PRO 38 8.550 -3.482 -10.615 250 HG2 PRO 38 1HG PRO 38 6.437 -5.409 -9.730 251 HG3 PRO 38 2HG PRO 38 8.157 -5.701 -10.043 252 HD2 PRO 38 1HD PRO 38 7.164 -5.391 -7.544 253 HD3 PRO 38 2HD PRO 38 8.801 -4.871 -7.991 254 HA PRO 39 HA PRO 39 3.390 -0.755 -9.917 255 HB2 PRO 39 1HB PRO 39 3.237 -0.137 -12.556 256 HB3 PRO 39 2HB PRO 39 4.049 0.895 -11.373 257 HG2 PRO 39 1HG PRO 39 5.228 -1.082 -13.287 258 HG3 PRO 39 2HG PRO 39 5.793 0.547 -12.872 259 HD2 PRO 39 1HD PRO 39 6.898 -1.690 -11.820 260 HD3 PRO 39 2HD PRO 39 6.797 -0.162 -10.922 261 H LEU 40 H LEU 40 1.376 -1.484 -10.684 262 HA LEU 40 HA LEU 40 1.461 -4.068 -12.098 263 HB2 LEU 40 1HB LEU 40 0.104 -3.213 -9.647 264 HB3 LEU 40 2HB LEU 40 -0.931 -4.077 -10.782 265 HG LEU 40 HG LEU 40 1.640 -5.113 -9.588 266 HD11 LEU 40 1HD1 LEU 40 0.445 -6.054 -7.960 267 HD12 LEU 40 2HD1 LEU 40 -0.826 -6.564 -9.071 268 HD13 LEU 40 3HD1 LEU 40 -0.839 -4.930 -8.409 269 HD21 LEU 40 3HD2 LEU 40 1.530 -6.164 -11.645 270 HD22 LEU 40 1HD2 LEU 40 -0.234 -6.179 -11.660 271 HD23 LEU 40 2HD2 LEU 40 0.648 -7.284 -10.605 272 H LYS 41 H LYS 41 -0.941 -4.561 -12.895 273 HA LYS 41 HA LYS 41 -2.092 -2.156 -14.111 274 HB2 LYS 41 1HB LYS 41 -0.554 -3.061 -15.776 275 HB3 LYS 41 2HB LYS 41 -1.300 -4.647 -15.631 276 HG2 LYS 41 1HG LYS 41 -2.172 -3.708 -17.597 277 HG3 LYS 41 2HG LYS 41 -3.453 -3.558 -16.392 278 HD2 LYS 41 1HD LYS 41 -2.298 -1.211 -15.987 279 HD3 LYS 41 2HD LYS 41 -1.764 -1.457 -17.652 280 HE2 LYS 41 1HE LYS 41 -4.429 -2.142 -17.738 281 HE3 LYS 41 2HE LYS 41 -4.403 -0.791 -16.607 282 HZ1 LYS 41 3HZ LYS 41 -3.931 -0.818 -19.456 283 HZ2 LYS 41 1HZ LYS 41 -2.815 0.101 -18.578 284 HZ3 LYS 41 2HZ LYS 41 -4.468 0.439 -18.459 285 H THR 42 H THR 42 -2.578 -5.664 -14.490 286 HA THR 42 HA THR 42 -5.434 -5.278 -14.020 287 HB THR 42 HB THR 42 -5.766 -7.478 -14.906 288 HG1 THR 42 HG1 THR 42 -4.253 -8.872 -14.395 289 HG21 THR 42 3HG2 THR 42 -3.555 -6.493 -16.658 290 HG22 THR 42 1HG2 THR 42 -4.991 -5.496 -16.431 291 HG23 THR 42 2HG2 THR 42 -5.143 -7.120 -17.101 292 H ILE 43 H ILE 43 -6.265 -7.626 -13.007 293 HA ILE 43 HA ILE 43 -5.620 -7.377 -10.242 294 HB ILE 43 HB ILE 43 -7.220 -9.529 -11.633 295 HG12 ILE 43 1HG1 ILE 43 -8.159 -7.303 -12.010 296 HG13 ILE 43 2HG1 ILE 43 -9.182 -8.222 -10.911 297 HG21 ILE 43 1HG2 ILE 43 -7.415 -10.522 -9.660 298 HG22 ILE 43 2HG2 ILE 43 -6.296 -9.347 -8.970 299 HG23 ILE 43 3HG2 ILE 43 -8.031 -9.032 -8.947 300 HD11 ILE 43 3HD1 ILE 43 -7.755 -5.726 -10.493 301 HD12 ILE 43 1HD1 ILE 43 -9.135 -6.406 -9.631 302 HD13 ILE 43 2HD1 ILE 43 -7.497 -6.901 -9.203 303 HA PRO 44 HA PRO 44 -2.076 -10.106 -10.474 304 HB2 PRO 44 1HB PRO 44 -1.355 -9.787 -7.876 305 HB3 PRO 44 2HB PRO 44 -0.997 -8.590 -9.126 306 HG2 PRO 44 1HG PRO 44 -3.205 -8.616 -7.106 307 HG3 PRO 44 2HG PRO 44 -2.179 -7.266 -7.624 308 HD2 PRO 44 1HD PRO 44 -4.700 -7.616 -8.547 309 HD3 PRO 44 2HD PRO 44 -3.413 -6.896 -9.535 310 H LYS 45 H LYS 45 -3.486 -11.960 -10.770 311 HA LYS 45 HA LYS 45 -4.959 -13.257 -8.829 312 HB2 LYS 45 1HB LYS 45 -3.381 -14.335 -11.160 313 HB3 LYS 45 2HB LYS 45 -4.371 -15.372 -10.141 314 HG2 LYS 45 1HG LYS 45 -5.920 -13.118 -10.949 315 HG3 LYS 45 2HG LYS 45 -5.164 -13.844 -12.369 316 HD2 LYS 45 1HD LYS 45 -5.995 -16.080 -11.443 317 HD3 LYS 45 2HD LYS 45 -7.015 -15.116 -10.372 318 HE2 LYS 45 1HE LYS 45 -7.089 -14.369 -13.221 319 HE3 LYS 45 2HE LYS 45 -7.758 -15.953 -12.833 320 HZ1 LYS 45 3HZ LYS 45 -9.060 -14.737 -11.048 321 HZ2 LYS 45 1HZ LYS 45 -9.538 -14.475 -12.650 322 HZ3 LYS 45 2HZ LYS 45 -8.623 -13.306 -11.838 323 H GLY 46 H GLY 46 -4.465 -15.261 -7.643 324 HA2 GLY 46 1HA GLY 46 -3.158 -16.579 -6.269 325 HA3 GLY 46 2HA GLY 46 -1.736 -15.926 -7.068 326 H MET 47 H MET 47 -1.853 -16.410 -4.316 327 HA MET 47 HA MET 47 -2.580 -14.314 -2.676 328 HB2 MET 47 1HB MET 47 -1.804 -16.381 -1.732 329 HB3 MET 47 2HB MET 47 -0.223 -16.191 -2.477 330 HG2 MET 47 1HG MET 47 0.488 -14.693 -0.926 331 HG3 MET 47 2HG MET 47 -1.131 -14.064 -0.628 332 HE1 MET 47 3HE MET 47 0.291 -14.400 2.184 333 HE2 MET 47 1HE MET 47 0.936 -16.021 2.451 334 HE3 MET 47 2HE MET 47 1.489 -15.068 1.074 335 H TRP 48 H TRP 48 -2.191 -12.244 -3.211 336 HA TRP 48 HA TRP 48 0.462 -11.472 -4.159 337 HB2 TRP 48 1HB TRP 48 -1.519 -10.631 -5.370 338 HB3 TRP 48 2HB TRP 48 -2.062 -9.823 -3.902 339 HD1 TRP 48 HD1 TRP 48 0.601 -9.575 -6.645 340 HE1 TRP 48 HE1 TRP 48 1.619 -7.212 -6.588 341 HE3 TRP 48 HE3 TRP 48 -1.621 -7.838 -2.381 342 HZ2 TRP 48 HZ2 TRP 48 1.496 -4.915 -4.952 343 HZ3 TRP 48 HZ3 TRP 48 -1.117 -5.547 -1.638 344 HH2 TRP 48 HH2 TRP 48 0.410 -4.118 -2.898 345 H ILE 49 H ILE 49 1.760 -9.962 -3.120 346 HA ILE 49 HA ILE 49 0.924 -9.042 -0.469 347 HB ILE 49 HB ILE 49 3.587 -10.383 -0.942 348 HG12 ILE 49 1HG1 ILE 49 1.195 -11.418 0.595 349 HG13 ILE 49 2HG1 ILE 49 1.674 -11.976 -1.004 350 HG21 ILE 49 1HG2 ILE 49 4.180 -9.288 0.900 351 HG22 ILE 49 2HG2 ILE 49 2.540 -8.690 1.145 352 HG23 ILE 49 3HG2 ILE 49 3.007 -10.268 1.779 353 HD11 ILE 49 3HD1 ILE 49 3.893 -12.121 0.809 354 HD12 ILE 49 1HD1 ILE 49 2.496 -12.973 1.465 355 HD13 ILE 49 2HD1 ILE 49 3.121 -13.400 -0.128 356 H CYS 50 H CYS 50 1.451 -6.983 -0.117 357 HA CYS 50 HA CYS 50 2.505 -5.309 -2.041 358 HB2 CYS 50 1HB CYS 50 2.599 -3.611 -0.365 359 HB3 CYS 50 2HB CYS 50 1.225 -4.639 0.029 360 HA PRO 51 HA PRO 51 6.867 -5.800 -2.020 361 HB2 PRO 51 1HB PRO 51 7.679 -3.270 -2.572 362 HB3 PRO 51 2HB PRO 51 6.920 -4.319 -3.775 363 HG2 PRO 51 1HG PRO 51 5.704 -2.130 -2.135 364 HG3 PRO 51 2HG PRO 51 5.473 -2.500 -3.854 365 HD2 PRO 51 1HD PRO 51 3.683 -3.221 -1.954 366 HD3 PRO 51 2HD PRO 51 3.965 -4.187 -3.416 367 H ARG 52 H ARG 52 5.298 -3.759 0.234 368 HA ARG 52 HA ARG 52 7.652 -2.902 1.638 369 HB2 ARG 52 1HB ARG 52 4.866 -2.310 1.699 370 HB3 ARG 52 2HB ARG 52 5.351 -2.798 3.317 371 HG2 ARG 52 1HG ARG 52 7.145 -0.891 1.975 372 HG3 ARG 52 2HG ARG 52 5.538 -0.285 2.380 373 HD2 ARG 52 1HD ARG 52 6.008 -1.352 4.701 374 HD3 ARG 52 2HD ARG 52 7.694 -1.298 4.189 375 HE ARG 52 HE ARG 52 6.607 1.225 3.752 376 HH11 ARG 52 1HH1 ARG 52 7.309 -0.888 6.428 377 HH12 ARG 52 2HH1 ARG 52 7.566 0.405 7.551 378 HH21 ARG 52 1HH2 ARG 52 6.943 2.937 5.222 379 HH22 ARG 52 2HH2 ARG 52 7.357 2.581 6.865 380 H CYS 53 H CYS 53 5.585 -5.671 1.689 381 HA CYS 53 HA CYS 53 6.453 -6.547 4.311 382 HB2 CYS 53 1HB CYS 53 4.575 -7.598 2.229 383 HB3 CYS 53 2HB CYS 53 5.180 -8.691 3.470 384 H GLN 54 H GLN 54 6.745 -7.784 0.979 385 HA GLN 54 HA GLN 54 8.430 -9.915 1.463 386 HB2 GLN 54 1HB GLN 54 8.426 -8.075 -0.935 387 HB3 GLN 54 2HB GLN 54 9.175 -9.665 -0.880 388 HG2 GLN 54 1HG GLN 54 6.478 -9.931 -0.042 389 HG3 GLN 54 2HG GLN 54 6.507 -8.986 -1.530 390 HE21 GLN 54 1HE2 GLN 54 6.738 -10.021 -3.399 391 HE22 GLN 54 2HE2 GLN 54 7.142 -11.692 -3.573 392 H ASP 55 H ASP 55 9.179 -6.504 1.282 393 HA ASP 55 HA ASP 55 12.035 -7.099 1.640 394 HB2 ASP 55 1HB ASP 55 10.587 -4.605 0.746 395 HB3 ASP 55 2HB ASP 55 12.299 -4.614 1.164 396 H GLN 56 H GLN 56 12.581 -7.262 3.714 397 HA GLN 56 HA GLN 56 12.749 -6.860 5.948 398 HB2 GLN 56 1HB GLN 56 13.515 -4.637 4.802 399 HB3 GLN 56 2HB GLN 56 12.012 -3.998 5.455 400 HG2 GLN 56 1HG GLN 56 14.122 -5.352 7.116 401 HG3 GLN 56 2HG GLN 56 14.022 -3.609 6.871 402 HE21 GLN 56 1HE2 GLN 56 12.201 -2.488 7.696 403 HE22 GLN 56 2HE2 GLN 56 11.289 -3.132 9.014 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -12.199 7.680 18.167 2 HA2 GLY 1 1HA GLY 1 -11.063 8.114 15.674 3 HA3 GLY 1 2HA GLY 1 -10.847 6.650 16.624 4 H SER 2 H SER 2 -11.726 4.797 15.914 5 HA SER 2 HA SER 2 -12.712 3.321 14.489 6 HB2 SER 2 1HB SER 2 -14.706 4.902 15.487 7 HB3 SER 2 2HB SER 2 -14.945 5.095 13.750 8 HG SER 2 HG SER 2 -14.549 2.524 14.796 9 H SER 3 H SER 3 -10.800 5.161 13.381 10 HA SER 3 HA SER 3 -11.594 6.279 10.942 11 HB2 SER 3 1HB SER 3 -9.426 6.742 12.066 12 HB3 SER 3 2HB SER 3 -8.880 5.124 11.627 13 HG SER 3 HG SER 3 -8.140 6.469 10.050 14 H GLY 4 H GLY 4 -12.358 5.338 9.175 15 HA2 GLY 4 1HA GLY 4 -12.185 3.872 7.326 16 HA3 GLY 4 2HA GLY 4 -11.232 2.776 8.315 17 H SER 5 H SER 5 -12.563 1.044 7.590 18 HA SER 5 HA SER 5 -15.272 1.040 8.746 19 HB2 SER 5 1HB SER 5 -14.127 -0.124 6.261 20 HB3 SER 5 2HB SER 5 -15.362 -1.071 7.090 21 HG SER 5 HG SER 5 -16.058 0.557 5.456 22 H SER 6 H SER 6 -12.376 -0.945 8.254 23 HA SER 6 HA SER 6 -12.541 -2.096 10.839 24 HB2 SER 6 1HB SER 6 -13.843 -3.524 8.616 25 HB3 SER 6 2HB SER 6 -12.715 -4.502 9.554 26 HG SER 6 HG SER 6 -15.181 -3.855 10.191 27 H GLY 7 H GLY 7 -10.385 -1.369 10.834 28 HA2 GLY 7 1HA GLY 7 -8.119 -1.752 10.722 29 HA3 GLY 7 2HA GLY 7 -8.484 -3.323 10.023 30 H HIS 8 H HIS 8 -6.303 -2.036 9.114 31 HA HIS 8 HA HIS 8 -5.255 -1.311 7.229 32 HB2 HIS 8 1HB HIS 8 -7.824 -2.338 6.018 33 HB3 HIS 8 2HB HIS 8 -6.465 -1.770 5.052 34 HD2 HIS 8 HD2 HIS 8 -5.248 -3.993 4.125 35 HE1 HIS 8 HE1 HIS 8 -5.404 -6.299 7.682 36 HE2 HIS 8 HE2 HIS 8 -4.534 -6.172 5.322 37 H GLU 9 H GLU 9 -5.669 0.149 5.153 38 HA GLU 9 HA GLU 9 -7.063 2.535 6.154 39 HB2 GLU 9 1HB GLU 9 -5.025 2.466 3.934 40 HB3 GLU 9 2HB GLU 9 -5.574 3.857 4.858 41 HG2 GLU 9 1HG GLU 9 -4.461 3.044 6.832 42 HG3 GLU 9 2HG GLU 9 -4.002 1.560 5.999 43 H ASP 10 H ASP 10 -7.412 4.014 3.943 44 HA ASP 10 HA ASP 10 -8.836 2.391 1.973 45 HB2 ASP 10 1HB ASP 10 -10.206 3.596 4.060 46 HB3 ASP 10 2HB ASP 10 -10.390 4.740 2.734 47 H PHE 11 H PHE 11 -6.407 4.110 2.065 48 HA PHE 11 HA PHE 11 -7.039 5.692 -0.299 49 HB2 PHE 11 1HB PHE 11 -5.503 6.932 1.985 50 HB3 PHE 11 2HB PHE 11 -6.073 7.718 0.517 51 HD1 PHE 11 HD2 PHE 11 -8.561 7.981 0.181 52 HD2 PHE 11 HD1 PHE 11 -6.834 6.846 3.902 53 HE1 PHE 11 HE2 PHE 11 -10.627 8.646 1.339 54 HE2 PHE 11 HE1 PHE 11 -8.898 7.508 5.066 55 HZ PHE 11 HZ PHE 11 -10.798 8.411 3.785 56 H CYS 12 H CYS 12 -5.389 5.805 -1.751 57 HA CYS 12 HA CYS 12 -3.380 3.913 -1.746 58 HB2 CYS 12 1HB CYS 12 -4.186 5.172 -3.742 59 HB3 CYS 12 2HB CYS 12 -3.287 6.576 -3.177 60 H SER 13 H SER 13 -1.280 3.825 -1.107 61 HA SER 13 HA SER 13 -0.406 5.911 0.743 62 HB2 SER 13 1HB SER 13 -0.323 3.168 0.917 63 HB3 SER 13 2HB SER 13 1.328 3.562 0.436 64 HG SER 13 HG SER 13 0.186 3.824 2.833 65 H VAL 14 H VAL 14 -0.339 6.520 -2.028 66 HA VAL 14 HA VAL 14 2.500 7.120 -2.293 67 HB VAL 14 HB VAL 14 0.951 5.821 -4.539 68 HG11 VAL 14 1HG1 VAL 14 3.253 5.794 -5.603 69 HG12 VAL 14 2HG1 VAL 14 2.458 7.366 -5.494 70 HG13 VAL 14 3HG1 VAL 14 3.736 6.941 -4.354 71 HG21 VAL 14 3HG2 VAL 14 1.567 4.216 -2.798 72 HG22 VAL 14 1HG2 VAL 14 2.493 3.947 -4.275 73 HG23 VAL 14 2HG2 VAL 14 3.245 4.749 -2.897 74 H CYS 15 H CYS 15 -0.741 7.468 -3.697 75 HA CYS 15 HA CYS 15 -0.044 10.241 -4.412 76 HB2 CYS 15 1HB CYS 15 -1.741 10.109 -6.171 77 HB3 CYS 15 2HB CYS 15 -0.532 8.846 -6.376 78 H ARG 16 H ARG 16 -2.227 8.150 -2.727 79 HA ARG 16 HA ARG 16 -3.909 8.547 -1.250 80 HB2 ARG 16 1HB ARG 16 -3.072 11.446 -1.307 81 HB3 ARG 16 2HB ARG 16 -3.909 10.593 -0.017 82 HG2 ARG 16 1HG ARG 16 -1.958 10.181 0.936 83 HG3 ARG 16 2HG ARG 16 -1.498 9.213 -0.466 84 HD2 ARG 16 1HD ARG 16 -0.550 11.130 -1.551 85 HD3 ARG 16 2HD ARG 16 -1.167 12.203 -0.295 86 HE ARG 16 HE ARG 16 1.209 10.592 -0.186 87 HH11 ARG 16 1HH1 ARG 16 -1.258 12.179 1.689 88 HH12 ARG 16 2HH1 ARG 16 -0.274 12.319 3.108 89 HH21 ARG 16 1HH2 ARG 16 2.515 10.771 1.675 90 HH22 ARG 16 2HH2 ARG 16 1.873 11.518 3.099 91 H LYS 17 H LYS 17 -5.449 8.072 -2.892 92 HA LYS 17 HA LYS 17 -7.111 10.382 -3.565 93 HB2 LYS 17 1HB LYS 17 -6.370 8.276 -5.602 94 HB3 LYS 17 2HB LYS 17 -7.395 9.680 -5.866 95 HG2 LYS 17 1HG LYS 17 -4.512 9.908 -5.056 96 HG3 LYS 17 2HG LYS 17 -5.034 9.830 -6.740 97 HD2 LYS 17 1HD LYS 17 -6.657 11.760 -5.492 98 HD3 LYS 17 2HD LYS 17 -5.007 12.072 -4.949 99 HE2 LYS 17 1HE LYS 17 -4.282 12.623 -7.033 100 HE3 LYS 17 2HE LYS 17 -5.396 11.515 -7.832 101 HZ1 LYS 17 3HZ LYS 17 -5.966 14.215 -6.764 102 HZ2 LYS 17 1HZ LYS 17 -7.198 13.120 -7.145 103 HZ3 LYS 17 2HZ LYS 17 -6.143 13.660 -8.352 104 H SER 18 H SER 18 -9.192 9.424 -4.754 105 HA SER 18 HA SER 18 -10.172 7.307 -2.971 106 HB2 SER 18 1HB SER 18 -12.356 8.189 -3.252 107 HB3 SER 18 2HB SER 18 -11.308 9.596 -3.072 108 HG SER 18 HG SER 18 -12.072 10.212 -4.919 109 H GLY 19 H GLY 19 -11.580 5.662 -3.824 110 HA2 GLY 19 1HA GLY 19 -12.559 4.871 -6.049 111 HA3 GLY 19 2HA GLY 19 -10.899 4.993 -6.614 112 H GLN 20 H GLN 20 -10.663 2.830 -7.097 113 HA GLN 20 HA GLN 20 -11.134 0.861 -5.003 114 HB2 GLN 20 1HB GLN 20 -10.377 0.644 -7.911 115 HB3 GLN 20 2HB GLN 20 -10.375 -0.747 -6.835 116 HG2 GLN 20 1HG GLN 20 -12.697 -0.638 -6.511 117 HG3 GLN 20 2HG GLN 20 -12.795 0.987 -7.189 118 HE21 GLN 20 1HE2 GLN 20 -14.551 -0.343 -8.331 119 HE22 GLN 20 2HE2 GLN 20 -14.097 -1.033 -9.848 120 H LEU 21 H LEU 21 -9.587 -0.032 -3.785 121 HA LEU 21 HA LEU 21 -6.780 0.381 -4.561 122 HB2 LEU 21 1HB LEU 21 -8.182 1.197 -2.112 123 HB3 LEU 21 2HB LEU 21 -6.647 0.372 -1.848 124 HG LEU 21 HG LEU 21 -6.732 2.650 -3.769 125 HD11 LEU 21 1HD1 LEU 21 -7.929 3.160 -1.489 126 HD12 LEU 21 2HD1 LEU 21 -6.782 4.303 -2.187 127 HD13 LEU 21 3HD1 LEU 21 -6.273 3.228 -0.885 128 HD21 LEU 21 3HD2 LEU 21 -4.491 2.712 -3.442 129 HD22 LEU 21 1HD2 LEU 21 -4.756 1.024 -3.003 130 HD23 LEU 21 2HD2 LEU 21 -4.612 2.250 -1.744 131 H LEU 22 H LEU 22 -5.308 -1.214 -3.869 132 HA LEU 22 HA LEU 22 -6.524 -3.826 -3.516 133 HB2 LEU 22 1HB LEU 22 -4.532 -3.130 -5.070 134 HB3 LEU 22 2HB LEU 22 -3.575 -3.377 -3.610 135 HG LEU 22 HG LEU 22 -4.365 -5.705 -3.509 136 HD11 LEU 22 1HD1 LEU 22 -6.379 -5.956 -4.516 137 HD12 LEU 22 2HD1 LEU 22 -5.357 -6.410 -5.880 138 HD13 LEU 22 3HD1 LEU 22 -6.021 -4.780 -5.781 139 HD21 LEU 22 3HD2 LEU 22 -2.343 -4.797 -4.914 140 HD22 LEU 22 1HD2 LEU 22 -3.320 -5.345 -6.276 141 HD23 LEU 22 2HD2 LEU 22 -2.832 -6.488 -5.025 142 H MET 23 H MET 23 -5.871 -5.315 -1.874 143 HA MET 23 HA MET 23 -4.874 -4.003 0.569 144 HB2 MET 23 1HB MET 23 -6.864 -6.272 0.419 145 HB3 MET 23 2HB MET 23 -6.318 -5.455 1.877 146 HG2 MET 23 1HG MET 23 -7.282 -3.337 0.878 147 HG3 MET 23 2HG MET 23 -8.054 -4.376 -0.317 148 HE1 MET 23 3HE MET 23 -10.344 -2.705 1.469 149 HE2 MET 23 1HE MET 23 -9.981 -2.930 3.180 150 HE3 MET 23 2HE MET 23 -8.745 -2.296 2.093 151 H CYS 24 H CYS 24 -3.454 -5.143 1.876 152 HA CYS 24 HA CYS 24 -1.994 -7.258 0.523 153 HB2 CYS 24 1HB CYS 24 -0.764 -5.399 1.573 154 HB3 CYS 24 2HB CYS 24 -1.425 -5.851 3.141 155 H ASP 25 H ASP 25 -1.646 -9.319 1.335 156 HA ASP 25 HA ASP 25 -3.705 -10.254 3.184 157 HB2 ASP 25 1HB ASP 25 -2.907 -11.290 0.828 158 HB3 ASP 25 2HB ASP 25 -1.848 -12.186 1.914 159 H THR 26 H THR 26 -1.625 -8.761 4.338 160 HA THR 26 HA THR 26 -0.693 -10.658 6.297 161 HB THR 26 HB THR 26 1.648 -9.165 5.600 162 HG1 THR 26 HG1 THR 26 1.905 -9.610 3.509 163 HG21 THR 26 3HG2 THR 26 1.729 -11.206 6.865 164 HG22 THR 26 1HG2 THR 26 2.594 -11.463 5.350 165 HG23 THR 26 2HG2 THR 26 0.964 -12.104 5.554 166 H CYS 27 H CYS 27 0.342 -7.425 5.194 167 HA CYS 27 HA CYS 27 0.112 -6.434 7.918 168 HB2 CYS 27 1HB CYS 27 1.249 -4.461 7.121 169 HB3 CYS 27 2HB CYS 27 2.086 -5.878 6.496 170 H SER 28 H SER 28 -0.553 -3.822 7.604 171 HA SER 28 HA SER 28 -3.303 -3.941 6.547 172 HB2 SER 28 1HB SER 28 -2.223 -2.929 9.128 173 HB3 SER 28 2HB SER 28 -3.534 -2.009 8.390 174 HG SER 28 HG SER 28 -3.691 -4.810 8.704 175 H ARG 29 H ARG 29 -2.081 -3.194 4.568 176 HA ARG 29 HA ARG 29 -2.202 -0.281 4.475 177 HB2 ARG 29 1HB ARG 29 0.153 -1.762 3.307 178 HB3 ARG 29 2HB ARG 29 -0.073 -0.021 3.417 179 HG2 ARG 29 1HG ARG 29 -0.140 -0.464 5.979 180 HG3 ARG 29 2HG ARG 29 0.667 -1.972 5.547 181 HD2 ARG 29 1HD ARG 29 2.594 -0.935 5.001 182 HD3 ARG 29 2HD ARG 29 1.766 0.451 4.293 183 HE ARG 29 HE ARG 29 1.330 0.796 6.925 184 HH11 ARG 29 1HH1 ARG 29 4.213 0.152 5.083 185 HH12 ARG 29 2HH1 ARG 29 5.258 0.995 6.178 186 HH21 ARG 29 1HH2 ARG 29 2.695 1.909 8.374 187 HH22 ARG 29 2HH2 ARG 29 4.394 1.993 8.050 188 H VAL 30 H VAL 30 -2.756 0.553 2.471 189 HA VAL 30 HA VAL 30 -3.538 -1.454 0.459 190 HB VAL 30 HB VAL 30 -5.266 0.107 -0.285 191 HG11 VAL 30 1HG1 VAL 30 -6.723 -0.678 1.223 192 HG12 VAL 30 2HG1 VAL 30 -5.319 -1.444 1.969 193 HG13 VAL 30 3HG1 VAL 30 -5.899 0.111 2.567 194 HG21 VAL 30 3HG2 VAL 30 -4.108 2.189 0.329 195 HG22 VAL 30 1HG2 VAL 30 -5.759 2.140 0.946 196 HG23 VAL 30 2HG2 VAL 30 -4.403 1.837 2.032 197 H TYR 31 H TYR 31 -3.240 -0.971 -1.744 198 HA TYR 31 HA TYR 31 -1.752 1.420 -2.463 199 HB2 TYR 31 1HB TYR 31 -0.620 -1.331 -3.015 200 HB3 TYR 31 2HB TYR 31 0.090 0.208 -3.488 201 HD1 TYR 31 HD2 TYR 31 1.024 1.721 -1.748 202 HD2 TYR 31 HD1 TYR 31 -0.319 -2.208 -0.821 203 HE1 TYR 31 HE2 TYR 31 2.272 1.801 0.370 204 HE2 TYR 31 HE1 TYR 31 0.925 -2.139 1.300 205 HH TYR 31 HH TYR 31 2.643 -1.011 2.391 206 H HIS 32 H HIS 32 -2.204 2.093 -4.482 207 HA HIS 32 HA HIS 32 -4.350 1.031 -5.911 208 HB2 HIS 32 1HB HIS 32 -2.231 3.047 -6.493 209 HB3 HIS 32 2HB HIS 32 -3.199 2.454 -7.840 210 HD2 HIS 32 HD2 HIS 32 -5.988 2.386 -5.792 211 HE1 HIS 32 HE1 HIS 32 -5.410 6.580 -6.062 212 HE2 HIS 32 HE2 HIS 32 -6.990 4.737 -5.393 213 H LEU 33 H LEU 33 -3.969 0.637 -8.447 214 HA LEU 33 HA LEU 33 -2.398 -1.812 -8.557 215 HB2 LEU 33 1HB LEU 33 -4.569 -0.605 -10.206 216 HB3 LEU 33 2HB LEU 33 -3.512 -1.813 -10.935 217 HG LEU 33 HG LEU 33 -5.217 -2.236 -8.480 218 HD11 LEU 33 1HD1 LEU 33 -6.331 -3.874 -10.154 219 HD12 LEU 33 2HD1 LEU 33 -5.626 -2.823 -11.382 220 HD13 LEU 33 3HD1 LEU 33 -6.757 -2.163 -10.200 221 HD21 LEU 33 3HD2 LEU 33 -3.529 -3.753 -8.182 222 HD22 LEU 33 1HD2 LEU 33 -3.195 -3.889 -9.908 223 HD23 LEU 33 2HD2 LEU 33 -4.609 -4.687 -9.219 224 H ASP 34 H ASP 34 -2.329 1.440 -9.736 225 HA ASP 34 HA ASP 34 -0.155 0.799 -11.598 226 HB2 ASP 34 1HB ASP 34 -1.934 3.208 -11.273 227 HB3 ASP 34 2HB ASP 34 -0.465 3.266 -12.243 228 H CYS 35 H CYS 35 -0.778 2.149 -8.516 229 HA CYS 35 HA CYS 35 1.818 3.502 -8.432 230 HB2 CYS 35 1HB CYS 35 -0.285 3.444 -6.266 231 HB3 CYS 35 2HB CYS 35 1.067 4.561 -6.423 232 H LEU 36 H LEU 36 2.434 1.008 -8.659 233 HA LEU 36 HA LEU 36 2.953 0.037 -5.926 234 HB2 LEU 36 1HB LEU 36 2.279 -1.451 -8.436 235 HB3 LEU 36 2HB LEU 36 3.182 -2.235 -7.141 236 HG LEU 36 HG LEU 36 0.407 -1.071 -6.910 237 HD11 LEU 36 1HD1 LEU 36 0.437 -3.809 -6.331 238 HD12 LEU 36 2HD1 LEU 36 1.370 -3.620 -7.814 239 HD13 LEU 36 3HD1 LEU 36 -0.283 -3.012 -7.730 240 HD21 LEU 36 3HD2 LEU 36 0.555 -2.445 -4.717 241 HD22 LEU 36 1HD2 LEU 36 1.283 -0.840 -4.781 242 HD23 LEU 36 2HD2 LEU 36 2.298 -2.275 -4.929 243 H ASP 37 H ASP 37 4.844 -1.743 -6.180 244 HA ASP 37 HA ASP 37 6.933 -0.812 -7.974 245 HB2 ASP 37 1HB ASP 37 6.905 0.476 -5.671 246 HB3 ASP 37 2HB ASP 37 7.678 -0.993 -5.083 247 HA PRO 38 HA PRO 38 7.531 -1.723 -9.507 248 HB2 PRO 38 1HB PRO 38 6.783 -3.629 -11.290 249 HB3 PRO 38 2HB PRO 38 8.449 -3.436 -10.733 250 HG2 PRO 38 1HG PRO 38 6.361 -5.379 -9.825 251 HG3 PRO 38 2HG PRO 38 8.081 -5.657 -10.152 252 HD2 PRO 38 1HD PRO 38 7.106 -5.349 -7.645 253 HD3 PRO 38 2HD PRO 38 8.734 -4.816 -8.108 254 HA PRO 39 HA PRO 39 3.271 -0.754 -10.000 255 HB2 PRO 39 1HB PRO 39 3.090 -0.146 -12.640 256 HB3 PRO 39 2HB PRO 39 3.902 0.897 -11.467 257 HG2 PRO 39 1HG PRO 39 5.083 -1.075 -13.384 258 HG3 PRO 39 2HG PRO 39 5.636 0.560 -12.979 259 HD2 PRO 39 1HD PRO 39 6.770 -1.664 -11.930 260 HD3 PRO 39 2HD PRO 39 6.664 -0.134 -11.036 261 H LEU 40 H LEU 40 1.257 -1.503 -10.750 262 HA LEU 40 HA LEU 40 1.353 -4.090 -12.157 263 HB2 LEU 40 1HB LEU 40 0.011 -3.243 -9.695 264 HB3 LEU 40 2HB LEU 40 -1.026 -4.119 -10.819 265 HG LEU 40 HG LEU 40 1.565 -5.128 -9.646 266 HD11 LEU 40 1HD1 LEU 40 0.392 -6.144 -8.034 267 HD12 LEU 40 2HD1 LEU 40 -0.935 -6.554 -9.120 268 HD13 LEU 40 3HD1 LEU 40 -0.851 -4.947 -8.400 269 HD21 LEU 40 3HD2 LEU 40 1.436 -6.173 -11.711 270 HD22 LEU 40 1HD2 LEU 40 -0.327 -6.229 -11.687 271 HD23 LEU 40 2HD2 LEU 40 0.603 -7.310 -10.649 272 H LYS 41 H LYS 41 -1.052 -4.608 -12.930 273 HA LYS 41 HA LYS 41 -2.228 -2.215 -14.149 274 HB2 LYS 41 1HB LYS 41 -0.767 -3.056 -15.864 275 HB3 LYS 41 2HB LYS 41 -1.350 -4.698 -15.627 276 HG2 LYS 41 1HG LYS 41 -3.462 -4.178 -16.572 277 HG3 LYS 41 2HG LYS 41 -3.109 -2.448 -16.565 278 HD2 LYS 41 1HD LYS 41 -1.416 -2.730 -18.246 279 HD3 LYS 41 2HD LYS 41 -1.562 -4.487 -18.161 280 HE2 LYS 41 1HE LYS 41 -3.444 -4.524 -19.415 281 HE3 LYS 41 2HE LYS 41 -4.046 -3.008 -18.746 282 HZ1 LYS 41 3HZ LYS 41 -2.664 -1.771 -20.184 283 HZ2 LYS 41 1HZ LYS 41 -3.401 -2.949 -21.149 284 HZ3 LYS 41 2HZ LYS 41 -1.792 -3.138 -20.665 285 H THR 42 H THR 42 -2.712 -5.727 -14.489 286 HA THR 42 HA THR 42 -5.562 -5.342 -13.988 287 HB THR 42 HB THR 42 -5.904 -7.546 -14.854 288 HG1 THR 42 HG1 THR 42 -4.305 -8.809 -14.098 289 HG21 THR 42 3HG2 THR 42 -3.698 -6.459 -16.582 290 HG22 THR 42 1HG2 THR 42 -5.251 -5.636 -16.439 291 HG23 THR 42 2HG2 THR 42 -5.180 -7.282 -17.071 292 H ILE 43 H ILE 43 -6.376 -7.683 -12.943 293 HA ILE 43 HA ILE 43 -5.699 -7.406 -10.189 294 HB ILE 43 HB ILE 43 -7.310 -9.575 -11.540 295 HG12 ILE 43 1HG1 ILE 43 -8.237 -7.058 -10.140 296 HG13 ILE 43 2HG1 ILE 43 -8.190 -7.277 -11.886 297 HG21 ILE 43 1HG2 ILE 43 -6.357 -9.363 -8.889 298 HG22 ILE 43 2HG2 ILE 43 -8.092 -9.055 -8.851 299 HG23 ILE 43 3HG2 ILE 43 -7.477 -10.551 -9.555 300 HD11 ILE 43 3HD1 ILE 43 -10.185 -8.098 -9.973 301 HD12 ILE 43 1HD1 ILE 43 -10.277 -7.997 -11.731 302 HD13 ILE 43 2HD1 ILE 43 -9.635 -9.450 -10.964 303 HA PRO 44 HA PRO 44 -2.151 -10.130 -10.438 304 HB2 PRO 44 1HB PRO 44 -1.400 -9.784 -7.852 305 HB3 PRO 44 2HB PRO 44 -1.059 -8.598 -9.118 306 HG2 PRO 44 1HG PRO 44 -3.243 -8.610 -7.071 307 HG3 PRO 44 2HG PRO 44 -2.226 -7.263 -7.614 308 HD2 PRO 44 1HD PRO 44 -4.758 -7.628 -8.503 309 HD3 PRO 44 2HD PRO 44 -3.485 -6.914 -9.514 310 H LYS 45 H LYS 45 -3.517 -12.006 -10.700 311 HA LYS 45 HA LYS 45 -4.989 -13.288 -8.749 312 HB2 LYS 45 1HB LYS 45 -3.779 -14.007 -11.292 313 HB3 LYS 45 2HB LYS 45 -3.787 -15.361 -10.170 314 HG2 LYS 45 1HG LYS 45 -6.326 -14.001 -10.153 315 HG3 LYS 45 2HG LYS 45 -5.879 -14.495 -11.787 316 HD2 LYS 45 1HD LYS 45 -6.131 -16.680 -11.323 317 HD3 LYS 45 2HD LYS 45 -5.386 -16.526 -9.730 318 HE2 LYS 45 1HE LYS 45 -7.369 -16.377 -8.712 319 HE3 LYS 45 2HE LYS 45 -7.973 -15.209 -9.886 320 HZ1 LYS 45 3HZ LYS 45 -8.283 -18.098 -9.815 321 HZ2 LYS 45 1HZ LYS 45 -8.023 -17.423 -11.345 322 HZ3 LYS 45 2HZ LYS 45 -9.332 -16.910 -10.405 323 H GLY 46 H GLY 46 -4.447 -15.348 -7.608 324 HA2 GLY 46 1HA GLY 46 -3.144 -16.602 -6.180 325 HA3 GLY 46 2HA GLY 46 -1.725 -15.936 -6.975 326 H MET 47 H MET 47 -1.880 -16.399 -4.212 327 HA MET 47 HA MET 47 -2.641 -14.287 -2.607 328 HB2 MET 47 1HB MET 47 -1.798 -16.443 -1.759 329 HB3 MET 47 2HB MET 47 -0.177 -16.011 -2.287 330 HG2 MET 47 1HG MET 47 -0.569 -13.921 -0.764 331 HG3 MET 47 2HG MET 47 -1.774 -14.961 -0.008 332 HE1 MET 47 3HE MET 47 -0.302 -14.112 1.923 333 HE2 MET 47 1HE MET 47 -0.593 -15.749 2.513 334 HE3 MET 47 2HE MET 47 1.033 -15.068 2.568 335 H TRP 48 H TRP 48 -2.254 -12.221 -3.158 336 HA TRP 48 HA TRP 48 0.397 -11.443 -4.099 337 HB2 TRP 48 1HB TRP 48 -1.614 -10.610 -5.287 338 HB3 TRP 48 2HB TRP 48 -2.113 -9.777 -3.817 339 HD1 TRP 48 HD1 TRP 48 0.506 -9.604 -6.611 340 HE1 TRP 48 HE1 TRP 48 1.550 -7.251 -6.608 341 HE3 TRP 48 HE3 TRP 48 -1.633 -7.772 -2.344 342 HZ2 TRP 48 HZ2 TRP 48 1.477 -4.926 -5.008 343 HZ3 TRP 48 HZ3 TRP 48 -1.093 -5.474 -1.647 344 HH2 TRP 48 HH2 TRP 48 0.430 -4.083 -2.953 345 H ILE 49 H ILE 49 1.703 -9.944 -3.061 346 HA ILE 49 HA ILE 49 0.878 -9.027 -0.404 347 HB ILE 49 HB ILE 49 3.543 -10.356 -0.894 348 HG12 ILE 49 1HG1 ILE 49 1.161 -11.414 0.642 349 HG13 ILE 49 2HG1 ILE 49 1.639 -11.959 -0.962 350 HG21 ILE 49 1HG2 ILE 49 2.542 -8.643 1.170 351 HG22 ILE 49 2HG2 ILE 49 2.899 -10.235 1.838 352 HG23 ILE 49 3HG2 ILE 49 4.152 -9.337 0.982 353 HD11 ILE 49 3HD1 ILE 49 3.863 -12.104 0.844 354 HD12 ILE 49 1HD1 ILE 49 2.472 -12.969 1.497 355 HD13 ILE 49 2HD1 ILE 49 3.096 -13.380 -0.101 356 H CYS 50 H CYS 50 1.416 -6.972 -0.037 357 HA CYS 50 HA CYS 50 2.444 -5.284 -1.963 358 HB2 CYS 50 1HB CYS 50 2.560 -3.598 -0.277 359 HB3 CYS 50 2HB CYS 50 1.191 -4.629 0.128 360 HA PRO 51 HA PRO 51 6.806 -5.775 -2.001 361 HB2 PRO 51 1HB PRO 51 7.611 -3.240 -2.546 362 HB3 PRO 51 2HB PRO 51 6.836 -4.281 -3.747 363 HG2 PRO 51 1HG PRO 51 5.642 -2.104 -2.076 364 HG3 PRO 51 2HG PRO 51 5.389 -2.462 -3.794 365 HD2 PRO 51 1HD PRO 51 3.623 -3.196 -1.877 366 HD3 PRO 51 2HD PRO 51 3.887 -4.153 -3.349 367 H ARG 52 H ARG 52 5.267 -3.750 0.287 368 HA ARG 52 HA ARG 52 7.639 -2.904 1.666 369 HB2 ARG 52 1HB ARG 52 4.737 -2.547 1.959 370 HB3 ARG 52 2HB ARG 52 5.609 -2.626 3.484 371 HG2 ARG 52 1HG ARG 52 5.463 -0.344 2.877 372 HG3 ARG 52 2HG ARG 52 7.132 -0.845 2.598 373 HD2 ARG 52 1HD ARG 52 5.489 -1.269 0.257 374 HD3 ARG 52 2HD ARG 52 5.433 0.411 0.788 375 HE ARG 52 HE ARG 52 7.676 -0.972 -0.361 376 HH11 ARG 52 1HH1 ARG 52 6.673 1.687 1.650 377 HH12 ARG 52 2HH1 ARG 52 8.108 2.616 1.362 378 HH21 ARG 52 1HH2 ARG 52 9.569 0.241 -0.748 379 HH22 ARG 52 2HH2 ARG 52 9.753 1.792 -0.002 380 H CYS 53 H CYS 53 5.592 -5.681 1.706 381 HA CYS 53 HA CYS 53 6.484 -6.572 4.318 382 HB2 CYS 53 1HB CYS 53 4.580 -7.606 2.252 383 HB3 CYS 53 2HB CYS 53 5.202 -8.710 3.475 384 H GLN 54 H GLN 54 6.723 -7.803 0.979 385 HA GLN 54 HA GLN 54 8.423 -9.928 1.432 386 HB2 GLN 54 1HB GLN 54 8.294 -8.083 -0.957 387 HB3 GLN 54 2HB GLN 54 9.166 -9.610 -0.935 388 HG2 GLN 54 1HG GLN 54 6.369 -9.799 -0.093 389 HG3 GLN 54 2HG GLN 54 6.602 -9.285 -1.763 390 HE21 GLN 54 1HE2 GLN 54 6.422 -10.934 -3.086 391 HE22 GLN 54 2HE2 GLN 54 7.030 -12.529 -2.823 392 H ASP 55 H ASP 55 9.142 -6.520 1.320 393 HA ASP 55 HA ASP 55 11.015 -5.330 1.822 394 HB2 ASP 55 1HB ASP 55 10.992 -6.981 3.775 395 HB3 ASP 55 2HB ASP 55 12.224 -7.877 2.891 396 H GLN 56 H GLN 56 11.130 -5.471 -0.631 397 HA GLN 56 HA GLN 56 12.388 -5.581 -2.522 398 HB2 GLN 56 1HB GLN 56 14.236 -5.269 -0.343 399 HB3 GLN 56 2HB GLN 56 14.961 -6.276 -1.590 400 HG2 GLN 56 1HG GLN 56 13.624 -3.715 -2.336 401 HG3 GLN 56 2HG GLN 56 15.254 -3.702 -1.664 402 HE21 GLN 56 1HE2 GLN 56 13.856 -3.320 -4.425 403 HE22 GLN 56 2HE2 GLN 56 14.915 -4.164 -5.498 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.456 9.984 19.968 2 HA2 GLY 1 1HA GLY 1 -10.505 10.831 19.030 3 HA3 GLY 1 2HA GLY 1 -9.728 9.281 19.315 4 H SER 2 H SER 2 -8.854 8.905 17.342 5 HA SER 2 HA SER 2 -10.749 8.658 15.099 6 HB2 SER 2 1HB SER 2 -9.081 10.600 14.954 7 HB3 SER 2 2HB SER 2 -7.838 9.367 14.745 8 HG SER 2 HG SER 2 -8.758 10.214 12.760 9 H SER 3 H SER 3 -10.724 6.452 16.298 10 HA SER 3 HA SER 3 -9.201 4.649 14.661 11 HB2 SER 3 1HB SER 3 -7.997 3.518 16.426 12 HB3 SER 3 2HB SER 3 -7.581 5.231 16.479 13 HG SER 3 HG SER 3 -8.916 5.488 18.237 14 H GLY 4 H GLY 4 -9.968 2.500 14.750 15 HA2 GLY 4 1HA GLY 4 -11.399 0.774 15.410 16 HA3 GLY 4 2HA GLY 4 -12.126 1.858 16.587 17 H SER 5 H SER 5 -11.725 2.074 13.056 18 HA SER 5 HA SER 5 -14.636 2.494 12.865 19 HB2 SER 5 1HB SER 5 -12.474 4.069 11.905 20 HB3 SER 5 2HB SER 5 -13.285 3.377 10.500 21 HG SER 5 HG SER 5 -14.983 4.569 10.890 22 H SER 6 H SER 6 -11.853 0.836 11.526 23 HA SER 6 HA SER 6 -13.517 -1.252 10.478 24 HB2 SER 6 1HB SER 6 -13.241 0.801 8.741 25 HB3 SER 6 2HB SER 6 -11.802 -0.134 8.336 26 HG SER 6 HG SER 6 -13.070 -1.430 7.297 27 H GLY 7 H GLY 7 -10.278 0.214 10.233 28 HA2 GLY 7 1HA GLY 7 -8.598 -1.209 11.540 29 HA3 GLY 7 2HA GLY 7 -9.129 -2.491 10.462 30 H HIS 8 H HIS 8 -8.783 -2.166 8.141 31 HA HIS 8 HA HIS 8 -6.135 -1.200 7.650 32 HB2 HIS 8 1HB HIS 8 -8.232 -2.239 5.732 33 HB3 HIS 8 2HB HIS 8 -6.545 -1.943 5.325 34 HD2 HIS 8 HD2 HIS 8 -5.078 -4.198 5.476 35 HE1 HIS 8 HE1 HIS 8 -7.437 -6.277 8.324 36 HE2 HIS 8 HE2 HIS 8 -5.365 -6.343 6.893 37 H GLU 9 H GLU 9 -5.554 0.355 5.999 38 HA GLU 9 HA GLU 9 -6.913 2.805 6.288 39 HB2 GLU 9 1HB GLU 9 -4.944 2.094 4.112 40 HB3 GLU 9 2HB GLU 9 -5.322 3.700 4.720 41 HG2 GLU 9 1HG GLU 9 -4.018 1.511 6.321 42 HG3 GLU 9 2HG GLU 9 -3.168 2.840 5.535 43 H ASP 10 H ASP 10 -7.072 4.010 3.867 44 HA ASP 10 HA ASP 10 -8.655 2.430 2.041 45 HB2 ASP 10 1HB ASP 10 -9.970 3.779 4.135 46 HB3 ASP 10 2HB ASP 10 -10.245 4.746 2.688 47 H PHE 11 H PHE 11 -6.217 4.137 2.105 48 HA PHE 11 HA PHE 11 -6.858 5.705 -0.266 49 HB2 PHE 11 1HB PHE 11 -5.304 6.954 2.001 50 HB3 PHE 11 2HB PHE 11 -5.873 7.733 0.529 51 HD1 PHE 11 HD1 PHE 11 -8.306 8.139 0.217 52 HD2 PHE 11 HD2 PHE 11 -6.685 6.762 3.904 53 HE1 PHE 11 HE1 PHE 11 -10.365 8.827 1.375 54 HE2 PHE 11 HE2 PHE 11 -8.742 7.446 5.067 55 HZ PHE 11 HZ PHE 11 -10.586 8.480 3.803 56 H CYS 12 H CYS 12 -5.204 5.832 -1.722 57 HA CYS 12 HA CYS 12 -3.214 3.920 -1.736 58 HB2 CYS 12 1HB CYS 12 -4.015 5.219 -3.716 59 HB3 CYS 12 2HB CYS 12 -3.080 6.595 -3.141 60 H SER 13 H SER 13 -1.129 3.792 -1.072 61 HA SER 13 HA SER 13 -0.225 5.864 0.779 62 HB2 SER 13 1HB SER 13 -0.196 3.126 0.966 63 HB3 SER 13 2HB SER 13 1.459 3.474 0.467 64 HG SER 13 HG SER 13 1.568 4.953 2.235 65 H VAL 14 H VAL 14 -0.135 6.503 -1.971 66 HA VAL 14 HA VAL 14 2.706 7.068 -2.224 67 HB VAL 14 HB VAL 14 1.177 5.692 -4.437 68 HG11 VAL 14 1HG1 VAL 14 3.702 7.228 -4.375 69 HG12 VAL 14 2HG1 VAL 14 3.713 5.725 -5.299 70 HG13 VAL 14 3HG1 VAL 14 2.548 6.991 -5.687 71 HG21 VAL 14 3HG2 VAL 14 1.880 4.137 -2.707 72 HG22 VAL 14 1HG2 VAL 14 2.847 3.909 -4.164 73 HG23 VAL 14 2HG2 VAL 14 3.525 4.768 -2.781 74 H CYS 15 H CYS 15 -0.513 7.394 -3.686 75 HA CYS 15 HA CYS 15 0.195 10.156 -4.432 76 HB2 CYS 15 1HB CYS 15 -1.410 10.010 -6.238 77 HB3 CYS 15 2HB CYS 15 -0.289 8.658 -6.357 78 H ARG 16 H ARG 16 -1.950 8.114 -2.674 79 HA ARG 16 HA ARG 16 -3.637 8.543 -1.210 80 HB2 ARG 16 1HB ARG 16 -2.869 11.454 -1.424 81 HB3 ARG 16 2HB ARG 16 -3.693 10.656 -0.091 82 HG2 ARG 16 1HG ARG 16 -1.700 9.435 0.477 83 HG3 ARG 16 2HG ARG 16 -0.864 10.077 -0.938 84 HD2 ARG 16 1HD ARG 16 -0.159 11.310 0.998 85 HD3 ARG 16 2HD ARG 16 -1.156 12.359 -0.008 86 HE ARG 16 HE ARG 16 -2.780 11.115 1.917 87 HH11 ARG 16 1HH1 ARG 16 -0.264 13.508 1.668 88 HH12 ARG 16 2HH1 ARG 16 -0.791 14.396 3.059 89 HH21 ARG 16 1HH2 ARG 16 -3.483 12.275 3.750 90 HH22 ARG 16 2HH2 ARG 16 -2.622 13.693 4.243 91 H LYS 17 H LYS 17 -5.060 7.938 -2.986 92 HA LYS 17 HA LYS 17 -6.882 10.128 -3.644 93 HB2 LYS 17 1HB LYS 17 -5.297 8.550 -5.571 94 HB3 LYS 17 2HB LYS 17 -7.004 8.716 -5.961 95 HG2 LYS 17 1HG LYS 17 -5.368 11.115 -5.247 96 HG3 LYS 17 2HG LYS 17 -5.330 10.446 -6.880 97 HD2 LYS 17 1HD LYS 17 -7.926 10.551 -6.686 98 HD3 LYS 17 2HD LYS 17 -7.599 11.713 -5.398 99 HE2 LYS 17 1HE LYS 17 -6.289 11.996 -8.075 100 HE3 LYS 17 2HE LYS 17 -7.939 12.564 -7.824 101 HZ1 LYS 17 3HZ LYS 17 -6.364 14.340 -7.460 102 HZ2 LYS 17 1HZ LYS 17 -5.545 13.429 -6.293 103 HZ3 LYS 17 2HZ LYS 17 -7.128 13.950 -6.002 104 H SER 18 H SER 18 -8.930 9.582 -3.269 105 HA SER 18 HA SER 18 -9.689 7.164 -2.138 106 HB2 SER 18 1HB SER 18 -11.012 9.590 -3.025 107 HB3 SER 18 2HB SER 18 -12.013 8.169 -3.325 108 HG SER 18 HG SER 18 -11.538 7.607 -1.070 109 H GLY 19 H GLY 19 -11.623 5.846 -3.127 110 HA2 GLY 19 1HA GLY 19 -12.525 4.940 -5.211 111 HA3 GLY 19 2HA GLY 19 -10.928 5.153 -5.913 112 H GLN 20 H GLN 20 -11.385 2.841 -6.488 113 HA GLN 20 HA GLN 20 -11.335 0.863 -4.435 114 HB2 GLN 20 1HB GLN 20 -10.950 -0.723 -6.312 115 HB3 GLN 20 2HB GLN 20 -12.338 0.328 -6.559 116 HG2 GLN 20 1HG GLN 20 -11.504 1.065 -8.467 117 HG3 GLN 20 2HG GLN 20 -10.006 1.548 -7.674 118 HE21 GLN 20 1HE2 GLN 20 -8.275 0.080 -7.598 119 HE22 GLN 20 2HE2 GLN 20 -8.171 -1.247 -8.699 120 H LEU 21 H LEU 21 -9.658 -0.019 -3.406 121 HA LEU 21 HA LEU 21 -6.962 0.370 -4.519 122 HB2 LEU 21 1HB LEU 21 -8.049 1.207 -1.926 123 HB3 LEU 21 2HB LEU 21 -6.515 0.345 -1.832 124 HG LEU 21 HG LEU 21 -6.696 2.579 -3.775 125 HD11 LEU 21 1HD1 LEU 21 -6.097 3.292 -0.953 126 HD12 LEU 21 2HD1 LEU 21 -7.785 3.178 -1.449 127 HD13 LEU 21 3HD1 LEU 21 -6.698 4.296 -2.273 128 HD21 LEU 21 3HD2 LEU 21 -4.451 2.579 -3.588 129 HD22 LEU 21 1HD2 LEU 21 -4.706 0.954 -2.952 130 HD23 LEU 21 2HD2 LEU 21 -4.488 2.309 -1.845 131 H LEU 22 H LEU 22 -5.394 -1.207 -3.880 132 HA LEU 22 HA LEU 22 -6.547 -3.837 -3.583 133 HB2 LEU 22 1HB LEU 22 -4.538 -3.060 -5.060 134 HB3 LEU 22 2HB LEU 22 -3.608 -3.304 -3.583 135 HG LEU 22 HG LEU 22 -4.332 -5.660 -3.545 136 HD11 LEU 22 1HD1 LEU 22 -5.799 -4.812 -6.013 137 HD12 LEU 22 2HD1 LEU 22 -6.381 -5.741 -4.632 138 HD13 LEU 22 3HD1 LEU 22 -5.281 -6.484 -5.794 139 HD21 LEU 22 3HD2 LEU 22 -2.502 -6.138 -4.710 140 HD22 LEU 22 1HD2 LEU 22 -2.454 -4.449 -5.216 141 HD23 LEU 22 2HD2 LEU 22 -3.267 -5.647 -6.223 142 H MET 23 H MET 23 -5.906 -5.370 -1.976 143 HA MET 23 HA MET 23 -5.009 -4.124 0.540 144 HB2 MET 23 1HB MET 23 -6.956 -6.418 0.244 145 HB3 MET 23 2HB MET 23 -6.458 -5.662 1.751 146 HG2 MET 23 1HG MET 23 -7.457 -3.534 0.937 147 HG3 MET 23 2HG MET 23 -8.078 -4.419 -0.455 148 HE1 MET 23 3HE MET 23 -10.759 -3.157 1.596 149 HE2 MET 23 1HE MET 23 -10.003 -3.424 3.167 150 HE3 MET 23 2HE MET 23 -9.097 -2.636 1.876 151 H CYS 24 H CYS 24 -3.527 -5.213 1.779 152 HA CYS 24 HA CYS 24 -2.073 -7.335 0.425 153 HB2 CYS 24 1HB CYS 24 -0.821 -5.449 1.379 154 HB3 CYS 24 2HB CYS 24 -1.446 -5.838 2.978 155 H ASP 25 H ASP 25 -1.694 -9.374 1.262 156 HA ASP 25 HA ASP 25 -3.669 -10.274 3.220 157 HB2 ASP 25 1HB ASP 25 -3.017 -11.356 0.853 158 HB3 ASP 25 2HB ASP 25 -1.865 -12.213 1.873 159 H THR 26 H THR 26 -1.587 -8.768 4.291 160 HA THR 26 HA THR 26 -0.526 -10.647 6.200 161 HB THR 26 HB THR 26 1.730 -9.064 5.369 162 HG1 THR 26 HG1 THR 26 2.024 -10.053 3.314 163 HG21 THR 26 3HG2 THR 26 2.885 -11.062 5.611 164 HG22 THR 26 1HG2 THR 26 1.516 -12.037 5.078 165 HG23 THR 26 2HG2 THR 26 1.504 -11.300 6.681 166 H CYS 27 H CYS 27 0.344 -7.378 5.061 167 HA CYS 27 HA CYS 27 0.217 -6.405 7.800 168 HB2 CYS 27 1HB CYS 27 1.246 -4.386 6.951 169 HB3 CYS 27 2HB CYS 27 2.114 -5.781 6.317 170 H SER 28 H SER 28 -0.535 -3.811 7.523 171 HA SER 28 HA SER 28 -3.320 -4.002 6.576 172 HB2 SER 28 1HB SER 28 -2.181 -2.781 9.078 173 HB3 SER 28 2HB SER 28 -3.723 -2.227 8.426 174 HG SER 28 HG SER 28 -3.303 -4.318 9.950 175 H ARG 29 H ARG 29 -1.790 -3.200 4.659 176 HA ARG 29 HA ARG 29 -2.120 -0.281 4.587 177 HB2 ARG 29 1HB ARG 29 0.232 -1.777 3.417 178 HB3 ARG 29 2HB ARG 29 -0.031 -0.039 3.365 179 HG2 ARG 29 1HG ARG 29 -0.067 -1.118 6.069 180 HG3 ARG 29 2HG ARG 29 1.460 -1.388 5.226 181 HD2 ARG 29 1HD ARG 29 1.228 1.121 4.573 182 HD3 ARG 29 2HD ARG 29 0.111 1.185 5.936 183 HE ARG 29 HE ARG 29 2.944 1.074 6.067 184 HH11 ARG 29 1HH1 ARG 29 0.055 -0.018 7.674 185 HH12 ARG 29 2HH1 ARG 29 0.809 -0.139 9.229 186 HH21 ARG 29 1HH2 ARG 29 3.948 0.919 8.110 187 HH22 ARG 29 2HH2 ARG 29 3.023 0.395 9.476 188 H VAL 30 H VAL 30 -2.543 0.608 2.519 189 HA VAL 30 HA VAL 30 -3.478 -1.373 0.544 190 HB VAL 30 HB VAL 30 -5.121 0.338 -0.192 191 HG11 VAL 30 1HG1 VAL 30 -6.038 -1.309 1.179 192 HG12 VAL 30 2HG1 VAL 30 -5.184 -0.728 2.610 193 HG13 VAL 30 3HG1 VAL 30 -6.535 0.197 1.952 194 HG21 VAL 30 3HG2 VAL 30 -3.971 2.331 0.594 195 HG22 VAL 30 1HG2 VAL 30 -5.591 2.242 1.287 196 HG23 VAL 30 2HG2 VAL 30 -4.188 1.818 2.268 197 H TYR 31 H TYR 31 -3.152 -0.945 -1.649 198 HA TYR 31 HA TYR 31 -1.627 1.413 -2.410 199 HB2 TYR 31 1HB TYR 31 -0.563 -1.365 -2.955 200 HB3 TYR 31 2HB TYR 31 0.182 0.157 -3.430 201 HD1 TYR 31 HD2 TYR 31 1.133 1.658 -1.677 202 HD2 TYR 31 HD1 TYR 31 -0.250 -2.264 -0.777 203 HE1 TYR 31 HE2 TYR 31 2.390 1.706 0.436 204 HE2 TYR 31 HE1 TYR 31 1.002 -2.226 1.340 205 HH TYR 31 HH TYR 31 2.066 0.396 2.799 206 H HIS 32 H HIS 32 -2.097 2.082 -4.424 207 HA HIS 32 HA HIS 32 -4.273 1.044 -5.824 208 HB2 HIS 32 1HB HIS 32 -2.131 3.025 -6.436 209 HB3 HIS 32 2HB HIS 32 -3.112 2.436 -7.774 210 HD2 HIS 32 HD2 HIS 32 -5.890 2.418 -5.704 211 HE1 HIS 32 HE1 HIS 32 -5.264 6.602 -6.023 212 HE2 HIS 32 HE2 HIS 32 -6.861 4.785 -5.323 213 H LEU 33 H LEU 33 -3.924 0.627 -8.361 214 HA LEU 33 HA LEU 33 -2.388 -1.844 -8.471 215 HB2 LEU 33 1HB LEU 33 -4.608 -0.644 -10.033 216 HB3 LEU 33 2HB LEU 33 -3.544 -1.779 -10.861 217 HG LEU 33 HG LEU 33 -5.131 -2.381 -8.365 218 HD11 LEU 33 1HD1 LEU 33 -6.055 -2.153 -10.965 219 HD12 LEU 33 2HD1 LEU 33 -6.839 -3.012 -9.640 220 HD13 LEU 33 3HD1 LEU 33 -5.784 -3.883 -10.752 221 HD21 LEU 33 3HD2 LEU 33 -3.079 -3.851 -9.915 222 HD22 LEU 33 1HD2 LEU 33 -4.474 -4.769 -9.348 223 HD23 LEU 33 2HD2 LEU 33 -3.458 -3.905 -8.193 224 H ASP 34 H ASP 34 -2.302 1.397 -9.685 225 HA ASP 34 HA ASP 34 -0.164 0.714 -11.573 226 HB2 ASP 34 1HB ASP 34 -1.692 3.300 -11.204 227 HB3 ASP 34 2HB ASP 34 -0.461 3.011 -12.430 228 H CYS 35 H CYS 35 -0.721 2.100 -8.492 229 HA CYS 35 HA CYS 35 1.896 3.413 -8.458 230 HB2 CYS 35 1HB CYS 35 -0.176 3.407 -6.262 231 HB3 CYS 35 2HB CYS 35 1.190 4.502 -6.449 232 H LEU 36 H LEU 36 2.471 0.909 -8.671 233 HA LEU 36 HA LEU 36 3.013 -0.046 -5.937 234 HB2 LEU 36 1HB LEU 36 2.287 -1.545 -8.426 235 HB3 LEU 36 2HB LEU 36 3.195 -2.331 -7.136 236 HG LEU 36 HG LEU 36 0.439 -1.126 -6.880 237 HD11 LEU 36 1HD1 LEU 36 1.356 -3.696 -7.772 238 HD12 LEU 36 2HD1 LEU 36 -0.286 -3.062 -7.679 239 HD13 LEU 36 3HD1 LEU 36 0.432 -3.858 -6.279 240 HD21 LEU 36 3HD2 LEU 36 0.549 -2.410 -4.671 241 HD22 LEU 36 1HD2 LEU 36 1.434 -0.888 -4.775 242 HD23 LEU 36 2HD2 LEU 36 2.297 -2.420 -4.909 243 H ASP 37 H ASP 37 4.877 -1.854 -6.199 244 HA ASP 37 HA ASP 37 6.955 -0.966 -8.027 245 HB2 ASP 37 1HB ASP 37 7.429 0.522 -6.237 246 HB3 ASP 37 2HB ASP 37 7.172 -0.734 -5.029 247 HA PRO 38 HA PRO 38 7.520 -1.897 -9.562 248 HB2 PRO 38 1HB PRO 38 6.722 -3.805 -11.321 249 HB3 PRO 38 2HB PRO 38 8.398 -3.632 -10.786 250 HG2 PRO 38 1HG PRO 38 6.294 -5.538 -9.837 251 HG3 PRO 38 2HG PRO 38 8.007 -5.843 -10.184 252 HD2 PRO 38 1HD PRO 38 7.068 -5.502 -7.667 253 HD3 PRO 38 2HD PRO 38 8.698 -4.996 -8.155 254 HA PRO 39 HA PRO 39 3.268 -0.872 -10.007 255 HB2 PRO 39 1HB PRO 39 3.061 -0.282 -12.649 256 HB3 PRO 39 2HB PRO 39 3.903 0.759 -11.496 257 HG2 PRO 39 1HG PRO 39 5.030 -1.244 -13.412 258 HG3 PRO 39 2HG PRO 39 5.612 0.386 -13.027 259 HD2 PRO 39 1HD PRO 39 6.728 -1.845 -11.975 260 HD3 PRO 39 2HD PRO 39 6.655 -0.307 -11.092 261 H LEU 40 H LEU 40 1.232 -1.593 -10.734 262 HA LEU 40 HA LEU 40 1.273 -4.190 -12.125 263 HB2 LEU 40 1HB LEU 40 -0.020 -3.316 -9.644 264 HB3 LEU 40 2HB LEU 40 -1.080 -4.192 -10.747 265 HG LEU 40 HG LEU 40 1.522 -5.212 -9.608 266 HD11 LEU 40 1HD1 LEU 40 -0.827 -6.740 -8.979 267 HD12 LEU 40 2HD1 LEU 40 -1.018 -5.070 -8.448 268 HD13 LEU 40 3HD1 LEU 40 0.364 -6.018 -7.898 269 HD21 LEU 40 3HD2 LEU 40 0.427 -7.392 -10.582 270 HD22 LEU 40 1HD2 LEU 40 1.401 -6.333 -11.603 271 HD23 LEU 40 2HD2 LEU 40 -0.359 -6.249 -11.672 272 H LYS 41 H LYS 41 -1.150 -4.681 -12.855 273 HA LYS 41 HA LYS 41 -2.327 -2.279 -14.052 274 HB2 LYS 41 1HB LYS 41 -0.815 -3.233 -15.737 275 HB3 LYS 41 2HB LYS 41 -1.625 -4.787 -15.591 276 HG2 LYS 41 1HG LYS 41 -3.642 -3.901 -16.515 277 HG3 LYS 41 2HG LYS 41 -2.997 -2.259 -16.476 278 HD2 LYS 41 1HD LYS 41 -1.215 -3.002 -18.059 279 HD3 LYS 41 2HD LYS 41 -2.044 -4.555 -18.184 280 HE2 LYS 41 1HE LYS 41 -4.064 -3.370 -18.972 281 HE3 LYS 41 2HE LYS 41 -3.167 -1.853 -18.919 282 HZ1 LYS 41 3HZ LYS 41 -1.558 -2.951 -20.492 283 HZ2 LYS 41 1HZ LYS 41 -3.081 -2.589 -21.133 284 HZ3 LYS 41 2HZ LYS 41 -2.705 -4.178 -20.693 285 H THR 42 H THR 42 -2.837 -5.786 -14.408 286 HA THR 42 HA THR 42 -5.675 -5.389 -13.855 287 HB THR 42 HB THR 42 -6.047 -7.579 -14.736 288 HG1 THR 42 HG1 THR 42 -4.008 -8.741 -15.455 289 HG21 THR 42 3HG2 THR 42 -5.441 -5.688 -16.329 290 HG22 THR 42 1HG2 THR 42 -5.307 -7.326 -16.966 291 HG23 THR 42 2HG2 THR 42 -3.858 -6.452 -16.469 292 H ILE 43 H ILE 43 -6.486 -7.733 -12.816 293 HA ILE 43 HA ILE 43 -5.758 -7.484 -10.071 294 HB ILE 43 HB ILE 43 -7.406 -9.634 -11.409 295 HG12 ILE 43 1HG1 ILE 43 -8.351 -7.169 -9.936 296 HG13 ILE 43 2HG1 ILE 43 -8.224 -7.267 -11.689 297 HG21 ILE 43 1HG2 ILE 43 -7.562 -10.614 -9.426 298 HG22 ILE 43 2HG2 ILE 43 -6.405 -9.451 -8.779 299 HG23 ILE 43 3HG2 ILE 43 -8.134 -9.111 -8.701 300 HD11 ILE 43 3HD1 ILE 43 -10.412 -7.937 -10.132 301 HD12 ILE 43 1HD1 ILE 43 -10.178 -8.295 -11.842 302 HD13 ILE 43 2HD1 ILE 43 -9.725 -9.485 -10.622 303 HA PRO 44 HA PRO 44 -2.235 -10.230 -10.407 304 HB2 PRO 44 1HB PRO 44 -1.435 -9.913 -7.832 305 HB3 PRO 44 2HB PRO 44 -1.109 -8.718 -9.093 306 HG2 PRO 44 1HG PRO 44 -3.256 -8.732 -7.008 307 HG3 PRO 44 2HG PRO 44 -2.240 -7.388 -7.557 308 HD2 PRO 44 1HD PRO 44 -4.789 -7.727 -8.404 309 HD3 PRO 44 2HD PRO 44 -3.529 -7.014 -9.431 310 H LYS 45 H LYS 45 -3.590 -12.106 -10.662 311 HA LYS 45 HA LYS 45 -5.052 -13.394 -8.708 312 HB2 LYS 45 1HB LYS 45 -3.876 -14.093 -11.266 313 HB3 LYS 45 2HB LYS 45 -3.842 -15.455 -10.154 314 HG2 LYS 45 1HG LYS 45 -6.402 -14.170 -10.041 315 HG3 LYS 45 2HG LYS 45 -5.990 -14.561 -11.712 316 HD2 LYS 45 1HD LYS 45 -5.336 -16.875 -10.771 317 HD3 LYS 45 2HD LYS 45 -6.281 -16.397 -9.359 318 HE2 LYS 45 1HE LYS 45 -7.317 -16.405 -12.191 319 HE3 LYS 45 2HE LYS 45 -7.564 -17.714 -11.035 320 HZ1 LYS 45 3HZ LYS 45 -8.585 -14.937 -10.864 321 HZ2 LYS 45 1HZ LYS 45 -8.625 -16.014 -9.560 322 HZ3 LYS 45 2HZ LYS 45 -9.484 -16.366 -10.975 323 H GLY 46 H GLY 46 -4.524 -15.416 -7.535 324 HA2 GLY 46 1HA GLY 46 -3.213 -16.686 -6.125 325 HA3 GLY 46 2HA GLY 46 -1.797 -16.036 -6.937 326 H MET 47 H MET 47 -1.919 -16.483 -4.173 327 HA MET 47 HA MET 47 -2.649 -14.360 -2.568 328 HB2 MET 47 1HB MET 47 -1.774 -16.555 -1.774 329 HB3 MET 47 2HB MET 47 -0.158 -16.041 -2.240 330 HG2 MET 47 1HG MET 47 -0.085 -14.387 -0.580 331 HG3 MET 47 2HG MET 47 -1.824 -14.470 -0.307 332 HE1 MET 47 3HE MET 47 0.518 -15.194 2.555 333 HE2 MET 47 1HE MET 47 1.535 -16.330 1.669 334 HE3 MET 47 2HE MET 47 1.168 -14.750 0.976 335 H TRP 48 H TRP 48 -2.257 -12.299 -3.136 336 HA TRP 48 HA TRP 48 0.372 -11.536 -4.137 337 HB2 TRP 48 1HB TRP 48 -1.658 -10.664 -5.251 338 HB3 TRP 48 2HB TRP 48 -2.117 -9.858 -3.753 339 HD1 TRP 48 HD1 TRP 48 0.482 -9.660 -6.574 340 HE1 TRP 48 HE1 TRP 48 1.513 -7.302 -6.566 341 HE3 TRP 48 HE3 TRP 48 -1.662 -7.852 -2.300 342 HZ2 TRP 48 HZ2 TRP 48 1.429 -4.982 -4.960 343 HZ3 TRP 48 HZ3 TRP 48 -1.134 -5.554 -1.597 344 HH2 TRP 48 HH2 TRP 48 0.380 -4.151 -2.900 345 H ILE 49 H ILE 49 1.715 -10.032 -3.138 346 HA ILE 49 HA ILE 49 1.001 -9.159 -0.436 347 HB ILE 49 HB ILE 49 3.585 -10.576 -1.098 348 HG12 ILE 49 1HG1 ILE 49 1.280 -11.387 0.688 349 HG13 ILE 49 2HG1 ILE 49 1.679 -12.109 -0.867 350 HG21 ILE 49 1HG2 ILE 49 4.472 -9.568 0.666 351 HG22 ILE 49 2HG2 ILE 49 2.982 -8.655 0.898 352 HG23 ILE 49 3HG2 ILE 49 3.190 -10.217 1.689 353 HD11 ILE 49 3HD1 ILE 49 3.071 -13.515 0.111 354 HD12 ILE 49 1HD1 ILE 49 3.977 -12.180 0.823 355 HD13 ILE 49 2HD1 ILE 49 2.590 -12.859 1.676 356 H CYS 50 H CYS 50 1.454 -7.080 -0.155 357 HA CYS 50 HA CYS 50 2.493 -5.413 -2.095 358 HB2 CYS 50 1HB CYS 50 2.542 -3.692 -0.443 359 HB3 CYS 50 2HB CYS 50 1.186 -4.740 -0.042 360 HA PRO 51 HA PRO 51 6.862 -5.829 -2.034 361 HB2 PRO 51 1HB PRO 51 7.635 -3.291 -2.612 362 HB3 PRO 51 2HB PRO 51 6.904 -4.369 -3.807 363 HG2 PRO 51 1HG PRO 51 5.638 -2.180 -2.204 364 HG3 PRO 51 2HG PRO 51 5.427 -2.576 -3.920 365 HD2 PRO 51 1HD PRO 51 3.634 -3.303 -2.026 366 HD3 PRO 51 2HD PRO 51 3.944 -4.283 -3.473 367 H ARG 52 H ARG 52 5.239 -3.799 0.188 368 HA ARG 52 HA ARG 52 7.569 -2.884 1.598 369 HB2 ARG 52 1HB ARG 52 4.725 -2.416 1.686 370 HB3 ARG 52 2HB ARG 52 5.339 -2.729 3.304 371 HG2 ARG 52 1HG ARG 52 6.805 -0.806 1.574 372 HG3 ARG 52 2HG ARG 52 5.282 -0.302 2.310 373 HD2 ARG 52 1HD ARG 52 6.166 -0.930 4.518 374 HD3 ARG 52 2HD ARG 52 7.695 -1.381 3.765 375 HE ARG 52 HE ARG 52 7.016 1.290 3.117 376 HH11 ARG 52 1HH1 ARG 52 8.203 -0.686 5.726 377 HH12 ARG 52 2HH1 ARG 52 9.072 0.607 6.484 378 HH21 ARG 52 1HH2 ARG 52 8.156 3.001 4.105 379 HH22 ARG 52 2HH2 ARG 52 9.044 2.704 5.562 380 H CYS 53 H CYS 53 5.548 -5.684 1.659 381 HA CYS 53 HA CYS 53 6.399 -6.512 4.303 382 HB2 CYS 53 1HB CYS 53 4.558 -7.616 2.216 383 HB3 CYS 53 2HB CYS 53 5.168 -8.686 3.474 384 H GLN 54 H GLN 54 6.762 -7.759 0.983 385 HA GLN 54 HA GLN 54 8.457 -9.874 1.499 386 HB2 GLN 54 1HB GLN 54 8.360 -8.026 -0.887 387 HB3 GLN 54 2HB GLN 54 9.311 -9.505 -0.842 388 HG2 GLN 54 1HG GLN 54 6.572 -9.981 -0.058 389 HG3 GLN 54 2HG GLN 54 6.678 -9.238 -1.654 390 HE21 GLN 54 1HE2 GLN 54 6.433 -10.795 -3.091 391 HE22 GLN 54 2HE2 GLN 54 7.260 -12.312 -3.093 392 H ASP 55 H ASP 55 9.163 -6.459 1.397 393 HA ASP 55 HA ASP 55 12.013 -6.772 1.330 394 HB2 ASP 55 1HB ASP 55 10.098 -4.557 1.389 395 HB3 ASP 55 2HB ASP 55 11.557 -4.243 2.324 396 H GLN 56 H GLN 56 13.412 -6.956 2.979 397 HA GLN 56 HA GLN 56 14.168 -7.417 5.078 398 HB2 GLN 56 1HB GLN 56 12.708 -4.907 5.195 399 HB3 GLN 56 2HB GLN 56 12.708 -5.733 6.747 400 HG2 GLN 56 1HG GLN 56 14.763 -5.031 7.135 401 HG3 GLN 56 2HG GLN 56 15.334 -5.863 5.689 402 HE21 GLN 56 1HE2 GLN 56 16.339 -4.617 4.300 403 HE22 GLN 56 2HE2 GLN 56 16.070 -2.929 4.055 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.373 9.131 19.507 2 HA2 GLY 1 1HA GLY 1 -1.345 8.308 17.547 3 HA3 GLY 1 2HA GLY 1 -2.015 7.295 18.817 4 H SER 2 H SER 2 -3.096 5.667 17.941 5 HA SER 2 HA SER 2 -5.313 6.168 16.187 6 HB2 SER 2 1HB SER 2 -4.357 4.431 14.489 7 HB3 SER 2 2HB SER 2 -3.834 6.112 14.384 8 HG SER 2 HG SER 2 -2.328 3.974 14.704 9 H SER 3 H SER 3 -6.738 5.056 17.377 10 HA SER 3 HA SER 3 -6.606 2.204 17.437 11 HB2 SER 3 1HB SER 3 -6.494 1.844 19.807 12 HB3 SER 3 2HB SER 3 -5.120 2.858 19.370 13 HG SER 3 HG SER 3 -6.175 3.667 21.212 14 H GLY 4 H GLY 4 -8.580 1.238 18.060 15 HA2 GLY 4 1HA GLY 4 -10.810 1.313 18.889 16 HA3 GLY 4 2HA GLY 4 -10.773 3.064 18.748 17 H SER 5 H SER 5 -10.000 0.518 16.390 18 HA SER 5 HA SER 5 -12.374 1.069 14.851 19 HB2 SER 5 1HB SER 5 -11.061 1.703 12.795 20 HB3 SER 5 2HB SER 5 -11.067 2.925 14.066 21 HG SER 5 HG SER 5 -8.974 2.781 13.570 22 H SER 6 H SER 6 -12.663 -0.397 13.085 23 HA SER 6 HA SER 6 -10.894 -2.751 13.215 24 HB2 SER 6 1HB SER 6 -13.900 -2.667 12.875 25 HB3 SER 6 2HB SER 6 -12.920 -4.123 12.701 26 HG SER 6 HG SER 6 -12.327 -3.938 14.861 27 H GLY 7 H GLY 7 -9.661 -2.357 11.425 28 HA2 GLY 7 1HA GLY 7 -10.105 -3.246 8.996 29 HA3 GLY 7 2HA GLY 7 -11.010 -1.742 8.898 30 H HIS 8 H HIS 8 -8.848 -2.352 7.224 31 HA HIS 8 HA HIS 8 -6.534 -0.924 8.231 32 HB2 HIS 8 1HB HIS 8 -7.008 -1.980 5.439 33 HB3 HIS 8 2HB HIS 8 -5.465 -1.527 6.158 34 HD2 HIS 8 HD2 HIS 8 -5.973 -4.594 5.046 35 HE1 HIS 8 HE1 HIS 8 -6.006 -5.591 9.170 36 HE2 HIS 8 HE2 HIS 8 -5.681 -6.449 6.825 37 H GLU 9 H GLU 9 -5.586 0.472 6.131 38 HA GLU 9 HA GLU 9 -7.027 2.888 6.263 39 HB2 GLU 9 1HB GLU 9 -4.989 2.198 4.150 40 HB3 GLU 9 2HB GLU 9 -5.386 3.787 4.789 41 HG2 GLU 9 1HG GLU 9 -4.526 2.978 7.014 42 HG3 GLU 9 2HG GLU 9 -3.909 1.563 6.162 43 H ASP 10 H ASP 10 -7.180 4.014 3.833 44 HA ASP 10 HA ASP 10 -8.610 2.311 1.987 45 HB2 ASP 10 1HB ASP 10 -10.024 4.509 3.506 46 HB3 ASP 10 2HB ASP 10 -10.662 3.758 2.046 47 H PHE 11 H PHE 11 -6.248 4.077 2.040 48 HA PHE 11 HA PHE 11 -6.897 5.599 -0.358 49 HB2 PHE 11 1HB PHE 11 -5.389 6.910 1.904 50 HB3 PHE 11 2HB PHE 11 -5.964 7.657 0.418 51 HD1 PHE 11 HD1 PHE 11 -8.397 8.020 0.087 52 HD2 PHE 11 HD2 PHE 11 -6.784 6.700 3.798 53 HE1 PHE 11 HE1 PHE 11 -10.479 8.678 1.222 54 HE2 PHE 11 HE2 PHE 11 -8.863 7.355 4.938 55 HZ PHE 11 HZ PHE 11 -10.714 8.345 3.650 56 H CYS 12 H CYS 12 -5.229 5.749 -1.799 57 HA CYS 12 HA CYS 12 -3.203 3.875 -1.774 58 HB2 CYS 12 1HB CYS 12 -3.999 5.123 -3.779 59 HB3 CYS 12 2HB CYS 12 -3.125 6.539 -3.204 60 H SER 13 H SER 13 -1.126 3.792 -1.083 61 HA SER 13 HA SER 13 -0.280 5.898 0.757 62 HB2 SER 13 1HB SER 13 -0.205 3.168 0.978 63 HB3 SER 13 2HB SER 13 1.447 3.532 0.478 64 HG SER 13 HG SER 13 1.570 4.995 2.230 65 H VAL 14 H VAL 14 -0.172 6.533 -1.985 66 HA VAL 14 HA VAL 14 2.663 7.134 -2.220 67 HB VAL 14 HB VAL 14 1.165 5.741 -4.444 68 HG11 VAL 14 1HG1 VAL 14 2.530 7.063 -5.679 69 HG12 VAL 14 2HG1 VAL 14 3.680 7.296 -4.362 70 HG13 VAL 14 3HG1 VAL 14 3.698 5.800 -5.295 71 HG21 VAL 14 3HG2 VAL 14 2.869 3.981 -4.159 72 HG22 VAL 14 1HG2 VAL 14 3.499 4.845 -2.756 73 HG23 VAL 14 2HG2 VAL 14 1.864 4.183 -2.724 74 H CYS 15 H CYS 15 -0.543 7.414 -3.722 75 HA CYS 15 HA CYS 15 0.130 10.191 -4.445 76 HB2 CYS 15 1HB CYS 15 -1.471 10.021 -6.268 77 HB3 CYS 15 2HB CYS 15 -0.288 8.724 -6.393 78 H ARG 16 H ARG 16 -2.036 8.095 -2.763 79 HA ARG 16 HA ARG 16 -3.760 8.485 -1.332 80 HB2 ARG 16 1HB ARG 16 -2.978 11.398 -1.471 81 HB3 ARG 16 2HB ARG 16 -3.865 10.591 -0.185 82 HG2 ARG 16 1HG ARG 16 -1.971 10.158 0.868 83 HG3 ARG 16 2HG ARG 16 -1.385 9.251 -0.528 84 HD2 ARG 16 1HD ARG 16 -0.089 10.950 -1.250 85 HD3 ARG 16 2HD ARG 16 -1.267 12.179 -0.788 86 HE ARG 16 HE ARG 16 -0.063 11.018 1.503 87 HH11 ARG 16 1HH1 ARG 16 0.536 13.260 -1.092 88 HH12 ARG 16 2HH1 ARG 16 1.690 14.191 -0.195 89 HH21 ARG 16 1HH2 ARG 16 1.454 12.235 2.694 90 HH22 ARG 16 2HH2 ARG 16 2.212 13.607 1.958 91 H LYS 17 H LYS 17 -5.273 7.914 -2.955 92 HA LYS 17 HA LYS 17 -6.969 10.155 -3.760 93 HB2 LYS 17 1HB LYS 17 -5.405 8.497 -5.567 94 HB3 LYS 17 2HB LYS 17 -7.124 8.420 -5.931 95 HG2 LYS 17 1HG LYS 17 -5.837 11.075 -5.509 96 HG3 LYS 17 2HG LYS 17 -5.616 10.230 -7.042 97 HD2 LYS 17 1HD LYS 17 -8.220 9.968 -6.925 98 HD3 LYS 17 2HD LYS 17 -8.106 11.344 -5.825 99 HE2 LYS 17 1HE LYS 17 -6.830 12.560 -7.580 100 HE3 LYS 17 2HE LYS 17 -7.124 11.209 -8.674 101 HZ1 LYS 17 3HZ LYS 17 -9.261 11.801 -8.972 102 HZ2 LYS 17 1HZ LYS 17 -8.707 13.333 -8.514 103 HZ3 LYS 17 2HZ LYS 17 -9.469 12.336 -7.380 104 H SER 18 H SER 18 -9.026 9.126 -4.902 105 HA SER 18 HA SER 18 -9.981 7.060 -3.048 106 HB2 SER 18 1HB SER 18 -11.972 8.130 -3.003 107 HB3 SER 18 2HB SER 18 -11.087 9.487 -3.698 108 HG SER 18 HG SER 18 -12.993 7.898 -4.820 109 H GLY 19 H GLY 19 -11.938 5.799 -4.142 110 HA2 GLY 19 1HA GLY 19 -12.686 4.795 -6.238 111 HA3 GLY 19 2HA GLY 19 -11.020 4.873 -6.792 112 H GLN 20 H GLN 20 -10.548 2.774 -7.137 113 HA GLN 20 HA GLN 20 -11.139 0.842 -5.011 114 HB2 GLN 20 1HB GLN 20 -11.030 0.711 -7.909 115 HB3 GLN 20 2HB GLN 20 -10.042 -0.542 -7.169 116 HG2 GLN 20 1HG GLN 20 -12.722 -0.202 -6.011 117 HG3 GLN 20 2HG GLN 20 -12.677 -0.779 -7.676 118 HE21 GLN 20 1HE2 GLN 20 -12.403 -2.874 -7.988 119 HE22 GLN 20 2HE2 GLN 20 -11.838 -4.006 -6.812 120 H LEU 21 H LEU 21 -9.577 -0.081 -3.824 121 HA LEU 21 HA LEU 21 -6.781 0.310 -4.654 122 HB2 LEU 21 1HB LEU 21 -8.136 1.168 -2.197 123 HB3 LEU 21 2HB LEU 21 -6.619 0.310 -1.934 124 HG LEU 21 HG LEU 21 -6.691 2.590 -3.861 125 HD11 LEU 21 1HD1 LEU 21 -6.675 4.228 -2.278 126 HD12 LEU 21 2HD1 LEU 21 -6.079 3.156 -1.011 127 HD13 LEU 21 3HD1 LEU 21 -7.772 3.086 -1.501 128 HD21 LEU 21 3HD2 LEU 21 -4.739 0.870 -3.023 129 HD22 LEU 21 1HD2 LEU 21 -4.482 2.265 -1.975 130 HD23 LEU 21 2HD2 LEU 21 -4.460 2.463 -3.728 131 H LEU 22 H LEU 22 -5.295 -1.273 -3.914 132 HA LEU 22 HA LEU 22 -6.510 -3.886 -3.579 133 HB2 LEU 22 1HB LEU 22 -4.474 -3.164 -5.082 134 HB3 LEU 22 2HB LEU 22 -3.561 -3.457 -3.604 135 HG LEU 22 HG LEU 22 -4.412 -5.777 -3.579 136 HD11 LEU 22 1HD1 LEU 22 -5.269 -6.345 -6.071 137 HD12 LEU 22 2HD1 LEU 22 -5.979 -4.747 -5.845 138 HD13 LEU 22 3HD1 LEU 22 -6.341 -6.042 -4.704 139 HD21 LEU 22 3HD2 LEU 22 -2.715 -6.484 -4.881 140 HD22 LEU 22 1HD2 LEU 22 -2.352 -4.761 -4.994 141 HD23 LEU 22 2HD2 LEU 22 -3.260 -5.557 -6.280 142 H MET 23 H MET 23 -5.945 -5.357 -1.910 143 HA MET 23 HA MET 23 -4.980 -4.047 0.547 144 HB2 MET 23 1HB MET 23 -6.994 -6.289 0.308 145 HB3 MET 23 2HB MET 23 -6.433 -5.568 1.811 146 HG2 MET 23 1HG MET 23 -7.341 -3.377 0.951 147 HG3 MET 23 2HG MET 23 -8.112 -4.306 -0.332 148 HE1 MET 23 3HE MET 23 -9.791 -2.730 0.638 149 HE2 MET 23 1HE MET 23 -11.172 -3.762 1.010 150 HE3 MET 23 2HE MET 23 -10.436 -2.783 2.279 151 H CYS 24 H CYS 24 -3.463 -5.079 1.770 152 HA CYS 24 HA CYS 24 -2.031 -7.242 0.490 153 HB2 CYS 24 1HB CYS 24 -0.801 -5.361 1.489 154 HB3 CYS 24 2HB CYS 24 -1.461 -5.768 3.070 155 H ASP 25 H ASP 25 -1.678 -9.286 1.334 156 HA ASP 25 HA ASP 25 -3.710 -10.183 3.235 157 HB2 ASP 25 1HB ASP 25 -3.078 -11.264 0.894 158 HB3 ASP 25 2HB ASP 25 -1.863 -12.087 1.869 159 H THR 26 H THR 26 -1.672 -8.697 4.384 160 HA THR 26 HA THR 26 -0.680 -10.573 6.320 161 HB THR 26 HB THR 26 1.654 -9.097 5.572 162 HG1 THR 26 HG1 THR 26 1.884 -9.576 3.479 163 HG21 THR 26 3HG2 THR 26 0.980 -12.040 5.501 164 HG22 THR 26 1HG2 THR 26 1.696 -11.156 6.848 165 HG23 THR 26 2HG2 THR 26 2.606 -11.374 5.353 166 H CYS 27 H CYS 27 0.348 -7.356 5.167 167 HA CYS 27 HA CYS 27 0.158 -6.336 7.885 168 HB2 CYS 27 1HB CYS 27 1.335 -4.408 7.085 169 HB3 CYS 27 2HB CYS 27 2.117 -5.826 6.395 170 H SER 28 H SER 28 -0.486 -3.722 7.550 171 HA SER 28 HA SER 28 -3.244 -3.825 6.513 172 HB2 SER 28 1HB SER 28 -2.161 -2.430 8.967 173 HB3 SER 28 2HB SER 28 -3.764 -2.117 8.301 174 HG SER 28 HG SER 28 -3.732 -3.712 9.991 175 H ARG 29 H ARG 29 -1.721 -3.122 4.598 176 HA ARG 29 HA ARG 29 -1.914 -0.196 4.463 177 HB2 ARG 29 1HB ARG 29 0.421 -1.754 3.349 178 HB3 ARG 29 2HB ARG 29 0.222 -0.007 3.368 179 HG2 ARG 29 1HG ARG 29 0.015 -0.698 6.027 180 HG3 ARG 29 2HG ARG 29 1.260 -1.787 5.410 181 HD2 ARG 29 1HD ARG 29 2.420 0.179 4.436 182 HD3 ARG 29 2HD ARG 29 1.218 1.221 5.197 183 HE ARG 29 HE ARG 29 2.470 -0.501 7.089 184 HH11 ARG 29 1HH1 ARG 29 2.914 2.427 5.258 185 HH12 ARG 29 2HH1 ARG 29 4.019 3.125 6.395 186 HH21 ARG 29 1HH2 ARG 29 3.923 0.408 8.594 187 HH22 ARG 29 2HH2 ARG 29 4.593 1.976 8.292 188 H VAL 30 H VAL 30 -2.742 0.577 2.598 189 HA VAL 30 HA VAL 30 -3.474 -1.399 0.552 190 HB VAL 30 HB VAL 30 -5.098 0.335 -0.222 191 HG11 VAL 30 1HG1 VAL 30 -6.643 -0.587 1.106 192 HG12 VAL 30 2HG1 VAL 30 -5.298 -1.454 1.850 193 HG13 VAL 30 3HG1 VAL 30 -5.890 0.044 2.570 194 HG21 VAL 30 3HG2 VAL 30 -4.319 1.756 2.322 195 HG22 VAL 30 1HG2 VAL 30 -3.901 2.286 0.693 196 HG23 VAL 30 2HG2 VAL 30 -5.590 2.235 1.198 197 H TYR 31 H TYR 31 -3.161 -0.974 -1.652 198 HA TYR 31 HA TYR 31 -1.618 1.367 -2.423 199 HB2 TYR 31 1HB TYR 31 -0.573 -1.425 -2.936 200 HB3 TYR 31 2HB TYR 31 0.177 0.083 -3.448 201 HD1 TYR 31 HD1 TYR 31 1.059 1.658 -1.683 202 HD2 TYR 31 HD2 TYR 31 -0.156 -2.322 -0.796 203 HE1 TYR 31 HE1 TYR 31 2.333 1.744 0.420 204 HE2 TYR 31 HE2 TYR 31 1.113 -2.247 1.310 205 HH TYR 31 HH TYR 31 2.932 0.657 2.255 206 H HIS 32 H HIS 32 -2.080 2.028 -4.442 207 HA HIS 32 HA HIS 32 -4.263 1.001 -5.837 208 HB2 HIS 32 1HB HIS 32 -2.113 2.969 -6.443 209 HB3 HIS 32 2HB HIS 32 -3.067 2.367 -7.795 210 HD2 HIS 32 HD2 HIS 32 -5.910 2.363 -5.857 211 HE1 HIS 32 HE1 HIS 32 -5.239 6.547 -6.067 212 HE2 HIS 32 HE2 HIS 32 -6.880 4.730 -5.475 213 H LEU 33 H LEU 33 -3.921 0.561 -8.369 214 HA LEU 33 HA LEU 33 -2.410 -1.925 -8.463 215 HB2 LEU 33 1HB LEU 33 -4.568 -0.689 -10.108 216 HB3 LEU 33 2HB LEU 33 -3.550 -1.936 -10.826 217 HG LEU 33 HG LEU 33 -5.209 -2.288 -8.330 218 HD11 LEU 33 1HD1 LEU 33 -6.515 -3.822 -9.895 219 HD12 LEU 33 2HD1 LEU 33 -5.732 -2.948 -11.210 220 HD13 LEU 33 3HD1 LEU 33 -6.762 -2.084 -10.069 221 HD21 LEU 33 3HD2 LEU 33 -4.102 -4.185 -8.023 222 HD22 LEU 33 1HD2 LEU 33 -3.030 -3.757 -9.357 223 HD23 LEU 33 2HD2 LEU 33 -4.485 -4.705 -9.664 224 H ASP 34 H ASP 34 -2.273 1.309 -9.682 225 HA ASP 34 HA ASP 34 -0.137 0.591 -11.560 226 HB2 ASP 34 1HB ASP 34 -1.821 3.073 -11.242 227 HB3 ASP 34 2HB ASP 34 -0.394 3.026 -12.274 228 H CYS 35 H CYS 35 -0.709 2.039 -8.503 229 HA CYS 35 HA CYS 35 1.920 3.322 -8.462 230 HB2 CYS 35 1HB CYS 35 -0.157 3.337 -6.271 231 HB3 CYS 35 2HB CYS 35 1.213 4.427 -6.462 232 H LEU 36 H LEU 36 2.469 0.804 -8.660 233 HA LEU 36 HA LEU 36 3.004 -0.135 -5.919 234 HB2 LEU 36 1HB LEU 36 2.275 -1.644 -8.401 235 HB3 LEU 36 2HB LEU 36 3.174 -2.428 -7.103 236 HG LEU 36 HG LEU 36 0.467 -1.142 -6.758 237 HD11 LEU 36 1HD1 LEU 36 0.182 -3.862 -6.428 238 HD12 LEU 36 2HD1 LEU 36 1.236 -3.729 -7.835 239 HD13 LEU 36 3HD1 LEU 36 -0.333 -2.924 -7.830 240 HD21 LEU 36 3HD2 LEU 36 1.643 -1.199 -4.690 241 HD22 LEU 36 1HD2 LEU 36 2.197 -2.849 -4.979 242 HD23 LEU 36 2HD2 LEU 36 0.489 -2.533 -4.672 243 H ASP 37 H ASP 37 4.857 -1.954 -6.164 244 HA ASP 37 HA ASP 37 6.944 -1.094 -7.994 245 HB2 ASP 37 1HB ASP 37 7.391 0.409 -6.192 246 HB3 ASP 37 2HB ASP 37 7.183 -0.866 -4.993 247 HA PRO 38 HA PRO 38 7.509 -2.041 -9.518 248 HB2 PRO 38 1HB PRO 38 6.706 -3.960 -11.262 249 HB3 PRO 38 2HB PRO 38 8.381 -3.792 -10.724 250 HG2 PRO 38 1HG PRO 38 6.264 -5.678 -9.765 251 HG3 PRO 38 2HG PRO 38 7.976 -5.996 -10.103 252 HD2 PRO 38 1HD PRO 38 7.031 -5.627 -7.592 253 HD3 PRO 38 2HD PRO 38 8.666 -5.134 -8.080 254 HA PRO 39 HA PRO 39 3.264 -0.997 -9.987 255 HB2 PRO 39 1HB PRO 39 3.068 -0.433 -12.635 256 HB3 PRO 39 2HB PRO 39 3.913 0.615 -11.490 257 HG2 PRO 39 1HG PRO 39 5.034 -1.414 -13.383 258 HG3 PRO 39 2HG PRO 39 5.624 0.217 -13.013 259 HD2 PRO 39 1HD PRO 39 6.725 -2.010 -11.935 260 HD3 PRO 39 2HD PRO 39 6.658 -0.463 -11.068 261 H LEU 40 H LEU 40 1.214 -1.612 -10.922 262 HA LEU 40 HA LEU 40 1.243 -4.231 -12.264 263 HB2 LEU 40 1HB LEU 40 -0.060 -3.409 -9.750 264 HB3 LEU 40 2HB LEU 40 -1.050 -4.365 -10.851 265 HG LEU 40 HG LEU 40 1.617 -5.198 -9.708 266 HD11 LEU 40 1HD1 LEU 40 0.420 -5.717 -7.904 267 HD12 LEU 40 2HD1 LEU 40 -0.324 -6.977 -8.888 268 HD13 LEU 40 3HD1 LEU 40 -1.109 -5.406 -8.728 269 HD21 LEU 40 3HD2 LEU 40 0.367 -6.046 -12.042 270 HD22 LEU 40 1HD2 LEU 40 -0.042 -7.274 -10.844 271 HD23 LEU 40 2HD2 LEU 40 1.648 -6.881 -11.162 272 H LYS 41 H LYS 41 -1.184 -4.720 -12.957 273 HA LYS 41 HA LYS 41 -2.406 -2.290 -14.051 274 HB2 LYS 41 1HB LYS 41 -0.949 -3.187 -15.805 275 HB3 LYS 41 2HB LYS 41 -1.731 -4.756 -15.666 276 HG2 LYS 41 1HG LYS 41 -3.819 -3.823 -16.453 277 HG3 LYS 41 2HG LYS 41 -3.103 -2.211 -16.510 278 HD2 LYS 41 1HD LYS 41 -1.485 -3.018 -18.186 279 HD3 LYS 41 2HD LYS 41 -2.265 -4.601 -18.154 280 HE2 LYS 41 1HE LYS 41 -4.383 -3.502 -18.852 281 HE3 LYS 41 2HE LYS 41 -3.500 -1.985 -19.008 282 HZ1 LYS 41 3HZ LYS 41 -3.488 -4.322 -20.733 283 HZ2 LYS 41 1HZ LYS 41 -1.986 -3.581 -20.493 284 HZ3 LYS 41 2HZ LYS 41 -3.279 -2.689 -21.120 285 H THR 42 H THR 42 -2.918 -5.790 -14.467 286 HA THR 42 HA THR 42 -5.742 -5.413 -13.834 287 HB THR 42 HB THR 42 -6.133 -7.581 -14.753 288 HG1 THR 42 HG1 THR 42 -4.284 -8.874 -15.427 289 HG21 THR 42 3HG2 THR 42 -5.357 -5.576 -16.270 290 HG22 THR 42 1HG2 THR 42 -5.621 -7.177 -16.960 291 HG23 THR 42 2HG2 THR 42 -3.983 -6.633 -16.592 292 H ILE 43 H ILE 43 -6.519 -7.779 -12.819 293 HA ILE 43 HA ILE 43 -5.724 -7.580 -10.090 294 HB ILE 43 HB ILE 43 -7.395 -9.710 -11.428 295 HG12 ILE 43 1HG1 ILE 43 -8.306 -7.274 -9.887 296 HG13 ILE 43 2HG1 ILE 43 -8.236 -7.349 -11.644 297 HG21 ILE 43 1HG2 ILE 43 -7.495 -10.731 -9.461 298 HG22 ILE 43 2HG2 ILE 43 -6.330 -9.574 -8.819 299 HG23 ILE 43 3HG2 ILE 43 -8.058 -9.247 -8.692 300 HD11 ILE 43 3HD1 ILE 43 -9.735 -9.453 -11.331 301 HD12 ILE 43 1HD1 ILE 43 -10.081 -8.729 -9.761 302 HD13 ILE 43 2HD1 ILE 43 -10.436 -7.838 -11.241 303 HA PRO 44 HA PRO 44 -2.198 -10.302 -10.565 304 HB2 PRO 44 1HB PRO 44 -1.336 -10.029 -8.005 305 HB3 PRO 44 2HB PRO 44 -1.046 -8.810 -9.251 306 HG2 PRO 44 1HG PRO 44 -3.141 -8.873 -7.114 307 HG3 PRO 44 2HG PRO 44 -2.144 -7.513 -7.663 308 HD2 PRO 44 1HD PRO 44 -4.712 -7.849 -8.453 309 HD3 PRO 44 2HD PRO 44 -3.481 -7.110 -9.497 310 H LYS 45 H LYS 45 -3.359 -12.246 -10.820 311 HA LYS 45 HA LYS 45 -4.880 -13.580 -8.943 312 HB2 LYS 45 1HB LYS 45 -4.358 -15.633 -10.179 313 HB3 LYS 45 2HB LYS 45 -4.706 -14.300 -11.272 314 HG2 LYS 45 1HG LYS 45 -2.611 -14.258 -12.110 315 HG3 LYS 45 2HG LYS 45 -1.868 -14.710 -10.574 316 HD2 LYS 45 1HD LYS 45 -1.506 -16.589 -11.884 317 HD3 LYS 45 2HD LYS 45 -2.973 -17.015 -11.001 318 HE2 LYS 45 1HE LYS 45 -3.874 -17.462 -12.992 319 HE3 LYS 45 2HE LYS 45 -3.928 -15.717 -13.239 320 HZ1 LYS 45 3HZ LYS 45 -2.419 -17.641 -14.632 321 HZ2 LYS 45 1HZ LYS 45 -1.357 -16.562 -13.877 322 HZ3 LYS 45 2HZ LYS 45 -2.546 -15.980 -14.929 323 H GLY 46 H GLY 46 -4.387 -15.441 -7.600 324 HA2 GLY 46 1HA GLY 46 -3.111 -16.653 -6.102 325 HA3 GLY 46 2HA GLY 46 -1.669 -16.003 -6.868 326 H MET 47 H MET 47 -1.959 -16.347 -4.088 327 HA MET 47 HA MET 47 -2.800 -14.165 -2.624 328 HB2 MET 47 1HB MET 47 -2.032 -16.238 -1.589 329 HB3 MET 47 2HB MET 47 -0.388 -15.919 -2.127 330 HG2 MET 47 1HG MET 47 -0.472 -13.812 -0.749 331 HG3 MET 47 2HG MET 47 -1.980 -14.421 -0.070 332 HE1 MET 47 3HE MET 47 0.575 -14.771 2.776 333 HE2 MET 47 1HE MET 47 -0.462 -13.655 1.886 334 HE3 MET 47 2HE MET 47 -1.167 -15.043 2.714 335 H TRP 48 H TRP 48 -2.376 -12.113 -3.158 336 HA TRP 48 HA TRP 48 0.274 -11.363 -4.110 337 HB2 TRP 48 1HB TRP 48 -1.758 -10.498 -5.250 338 HB3 TRP 48 2HB TRP 48 -2.200 -9.654 -3.769 339 HD1 TRP 48 HD1 TRP 48 0.368 -9.548 -6.617 340 HE1 TRP 48 HE1 TRP 48 1.452 -7.214 -6.652 341 HE3 TRP 48 HE3 TRP 48 -1.667 -7.644 -2.331 342 HZ2 TRP 48 HZ2 TRP 48 1.446 -4.876 -5.071 343 HZ3 TRP 48 HZ3 TRP 48 -1.076 -5.351 -1.663 344 HH2 TRP 48 HH2 TRP 48 0.449 -3.998 -3.005 345 H ILE 49 H ILE 49 1.634 -9.922 -3.078 346 HA ILE 49 HA ILE 49 0.867 -9.003 -0.401 347 HB ILE 49 HB ILE 49 3.456 -10.438 -1.004 348 HG12 ILE 49 1HG1 ILE 49 1.157 -11.256 0.785 349 HG13 ILE 49 2HG1 ILE 49 1.467 -11.921 -0.815 350 HG21 ILE 49 1HG2 ILE 49 3.802 -10.223 1.464 351 HG22 ILE 49 2HG2 ILE 49 3.870 -8.700 0.577 352 HG23 ILE 49 3HG2 ILE 49 2.427 -9.119 1.500 353 HD11 ILE 49 3HD1 ILE 49 3.841 -12.128 0.740 354 HD12 ILE 49 1HD1 ILE 49 2.487 -12.778 1.664 355 HD13 ILE 49 2HD1 ILE 49 2.843 -13.410 0.056 356 H CYS 50 H CYS 50 1.392 -6.944 -0.066 357 HA CYS 50 HA CYS 50 2.428 -5.267 -1.997 358 HB2 CYS 50 1HB CYS 50 2.545 -3.574 -0.318 359 HB3 CYS 50 2HB CYS 50 1.173 -4.600 0.089 360 HA PRO 51 HA PRO 51 6.788 -5.770 -2.026 361 HB2 PRO 51 1HB PRO 51 7.601 -3.239 -2.581 362 HB3 PRO 51 2HB PRO 51 6.825 -4.284 -3.778 363 HG2 PRO 51 1HG PRO 51 5.634 -2.095 -2.119 364 HG3 PRO 51 2HG PRO 51 5.383 -2.461 -3.836 365 HD2 PRO 51 1HD PRO 51 3.612 -3.182 -1.918 366 HD3 PRO 51 2HD PRO 51 3.875 -4.146 -3.386 367 H ARG 52 H ARG 52 5.251 -3.731 0.251 368 HA ARG 52 HA ARG 52 7.625 -2.887 1.630 369 HB2 ARG 52 1HB ARG 52 4.722 -2.520 1.920 370 HB3 ARG 52 2HB ARG 52 5.598 -2.583 3.443 371 HG2 ARG 52 1HG ARG 52 5.449 -0.307 2.805 372 HG3 ARG 52 2HG ARG 52 7.119 -0.813 2.541 373 HD2 ARG 52 1HD ARG 52 6.959 -0.637 0.283 374 HD3 ARG 52 2HD ARG 52 5.262 -1.112 0.260 375 HE ARG 52 HE ARG 52 5.204 1.336 1.409 376 HH11 ARG 52 1HH1 ARG 52 6.603 0.102 -1.530 377 HH12 ARG 52 2HH1 ARG 52 6.439 1.597 -2.390 378 HH21 ARG 52 1HH2 ARG 52 4.982 3.310 0.287 379 HH22 ARG 52 2HH2 ARG 52 5.517 3.421 -1.356 380 H CYS 53 H CYS 53 5.547 -5.646 1.693 381 HA CYS 53 HA CYS 53 6.434 -6.530 4.307 382 HB2 CYS 53 1HB CYS 53 4.524 -7.559 2.246 383 HB3 CYS 53 2HB CYS 53 5.140 -8.666 3.468 384 H GLN 54 H GLN 54 6.705 -7.732 0.962 385 HA GLN 54 HA GLN 54 8.362 -9.891 1.411 386 HB2 GLN 54 1HB GLN 54 8.216 -8.005 -0.938 387 HB3 GLN 54 2HB GLN 54 9.199 -9.463 -0.945 388 HG2 GLN 54 1HG GLN 54 6.383 -9.823 -0.172 389 HG3 GLN 54 2HG GLN 54 6.670 -9.345 -1.844 390 HE21 GLN 54 1HE2 GLN 54 7.007 -10.922 -3.229 391 HE22 GLN 54 2HE2 GLN 54 7.547 -12.518 -2.846 392 H ASP 55 H ASP 55 9.140 -6.493 1.357 393 HA ASP 55 HA ASP 55 11.987 -7.141 1.734 394 HB2 ASP 55 1HB ASP 55 10.812 -5.328 0.002 395 HB3 ASP 55 2HB ASP 55 11.355 -4.317 1.339 396 H GLN 56 H GLN 56 13.177 -5.758 3.269 397 HA GLN 56 HA GLN 56 11.768 -5.623 5.767 398 HB2 GLN 56 1HB GLN 56 13.929 -4.983 6.715 399 HB3 GLN 56 2HB GLN 56 14.094 -6.387 5.669 400 HG2 GLN 56 1HG GLN 56 15.096 -5.111 3.954 401 HG3 GLN 56 2HG GLN 56 14.659 -3.591 4.733 402 HE21 GLN 56 1HE2 GLN 56 15.853 -2.862 6.480 403 HE22 GLN 56 2HE2 GLN 56 17.397 -3.522 6.887 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -1.444 2.222 19.573 2 HA2 GLY 1 1HA GLY 1 -3.424 3.475 20.140 3 HA3 GLY 1 2HA GLY 1 -4.141 2.941 18.628 4 H SER 2 H SER 2 -5.009 2.739 21.498 5 HA SER 2 HA SER 2 -4.895 -0.009 22.232 6 HB2 SER 2 1HB SER 2 -6.526 2.343 23.153 7 HB3 SER 2 2HB SER 2 -6.879 0.719 23.742 8 HG SER 2 HG SER 2 -5.328 2.076 24.982 9 H SER 3 H SER 3 -7.313 2.000 20.604 10 HA SER 3 HA SER 3 -8.862 -0.431 20.011 11 HB2 SER 3 1HB SER 3 -10.285 1.111 21.102 12 HB3 SER 3 2HB SER 3 -9.648 2.475 20.183 13 HG SER 3 HG SER 3 -11.259 2.118 18.893 14 H GLY 4 H GLY 4 -9.745 -0.685 17.874 15 HA2 GLY 4 1HA GLY 4 -9.009 0.985 15.703 16 HA3 GLY 4 2HA GLY 4 -7.897 -0.370 15.820 17 H SER 5 H SER 5 -11.422 -0.007 16.216 18 HA SER 5 HA SER 5 -11.895 -2.514 14.896 19 HB2 SER 5 1HB SER 5 -13.583 -0.434 16.211 20 HB3 SER 5 2HB SER 5 -14.362 -1.536 15.076 21 HG SER 5 HG SER 5 -13.225 -2.045 17.565 22 H SER 6 H SER 6 -10.882 -2.031 12.852 23 HA SER 6 HA SER 6 -12.783 -0.950 10.953 24 HB2 SER 6 1HB SER 6 -10.730 0.714 11.897 25 HB3 SER 6 2HB SER 6 -10.194 0.169 10.308 26 HG SER 6 HG SER 6 -11.474 1.709 9.648 27 H GLY 7 H GLY 7 -11.278 -0.872 8.694 28 HA2 GLY 7 1HA GLY 7 -10.024 -3.543 8.564 29 HA3 GLY 7 2HA GLY 7 -11.194 -3.020 7.361 30 H HIS 8 H HIS 8 -8.111 -2.001 8.822 31 HA HIS 8 HA HIS 8 -6.240 -1.073 7.922 32 HB2 HIS 8 1HB HIS 8 -7.242 -2.085 5.258 33 HB3 HIS 8 2HB HIS 8 -5.576 -1.747 5.718 34 HD2 HIS 8 HD2 HIS 8 -6.568 -4.765 4.710 35 HE1 HIS 8 HE1 HIS 8 -5.825 -5.801 8.756 36 HE2 HIS 8 HE2 HIS 8 -6.067 -6.657 6.400 37 H GLU 9 H GLU 9 -5.517 0.426 5.960 38 HA GLU 9 HA GLU 9 -7.019 2.798 6.209 39 HB2 GLU 9 1HB GLU 9 -5.018 2.251 4.022 40 HB3 GLU 9 2HB GLU 9 -5.428 3.796 4.753 41 HG2 GLU 9 1HG GLU 9 -4.471 2.942 6.897 42 HG3 GLU 9 2HG GLU 9 -3.904 1.530 6.008 43 H ASP 10 H ASP 10 -7.324 4.025 3.881 44 HA ASP 10 HA ASP 10 -8.765 2.319 2.020 45 HB2 ASP 10 1HB ASP 10 -10.210 4.696 3.170 46 HB3 ASP 10 2HB ASP 10 -10.867 3.361 2.228 47 H PHE 11 H PHE 11 -6.384 4.100 2.056 48 HA PHE 11 HA PHE 11 -7.052 5.589 -0.357 49 HB2 PHE 11 1HB PHE 11 -5.568 6.940 1.899 50 HB3 PHE 11 2HB PHE 11 -6.130 7.665 0.397 51 HD1 PHE 11 HD1 PHE 11 -8.504 8.145 0.061 52 HD2 PHE 11 HD2 PHE 11 -7.041 6.607 3.751 53 HE1 PHE 11 HE1 PHE 11 -10.603 8.804 1.164 54 HE2 PHE 11 HE2 PHE 11 -9.138 7.263 4.859 55 HZ PHE 11 HZ PHE 11 -10.922 8.362 3.566 56 H CYS 12 H CYS 12 -5.372 5.777 -1.789 57 HA CYS 12 HA CYS 12 -3.335 3.916 -1.765 58 HB2 CYS 12 1HB CYS 12 -4.126 5.171 -3.767 59 HB3 CYS 12 2HB CYS 12 -3.265 6.589 -3.178 60 H SER 13 H SER 13 -1.270 3.833 -1.045 61 HA SER 13 HA SER 13 -0.443 5.941 0.800 62 HB2 SER 13 1HB SER 13 -0.367 3.210 1.022 63 HB3 SER 13 2HB SER 13 1.289 3.577 0.542 64 HG SER 13 HG SER 13 1.354 5.077 2.292 65 H VAL 14 H VAL 14 -0.309 6.568 -1.946 66 HA VAL 14 HA VAL 14 2.527 7.174 -2.152 67 HB VAL 14 HB VAL 14 1.055 5.769 -4.387 68 HG11 VAL 14 1HG1 VAL 14 3.653 5.848 -5.145 69 HG12 VAL 14 2HG1 VAL 14 2.434 7.016 -5.656 70 HG13 VAL 14 3HG1 VAL 14 3.506 7.392 -4.307 71 HG21 VAL 14 3HG2 VAL 14 2.744 4.009 -4.077 72 HG22 VAL 14 1HG2 VAL 14 3.386 4.884 -2.687 73 HG23 VAL 14 2HG2 VAL 14 1.749 4.230 -2.638 74 H CYS 15 H CYS 15 -0.669 7.447 -3.673 75 HA CYS 15 HA CYS 15 0.010 10.219 -4.411 76 HB2 CYS 15 1HB CYS 15 -1.550 10.045 -6.252 77 HB3 CYS 15 2HB CYS 15 -0.411 8.706 -6.342 78 H ARG 16 H ARG 16 -2.166 8.134 -2.726 79 HA ARG 16 HA ARG 16 -3.895 8.535 -1.305 80 HB2 ARG 16 1HB ARG 16 -3.150 11.455 -1.450 81 HB3 ARG 16 2HB ARG 16 -3.983 10.619 -0.146 82 HG2 ARG 16 1HG ARG 16 -1.519 9.307 -0.497 83 HG3 ARG 16 2HG ARG 16 -1.187 11.040 -0.521 84 HD2 ARG 16 1HD ARG 16 -2.889 10.934 1.551 85 HD3 ARG 16 2HD ARG 16 -2.184 9.322 1.667 86 HE ARG 16 HE ARG 16 -0.067 11.070 1.383 87 HH11 ARG 16 1HH1 ARG 16 -2.660 10.549 3.648 88 HH12 ARG 16 2HH1 ARG 16 -1.766 11.144 5.007 89 HH21 ARG 16 1HH2 ARG 16 1.119 11.856 3.166 90 HH22 ARG 16 2HH2 ARG 16 0.383 11.888 4.732 91 H LYS 17 H LYS 17 -5.400 7.956 -2.933 92 HA LYS 17 HA LYS 17 -7.093 10.193 -3.756 93 HB2 LYS 17 1HB LYS 17 -5.485 8.599 -5.548 94 HB3 LYS 17 2HB LYS 17 -7.193 8.385 -5.905 95 HG2 LYS 17 1HG LYS 17 -6.240 11.157 -5.505 96 HG3 LYS 17 2HG LYS 17 -5.729 10.327 -6.976 97 HD2 LYS 17 1HD LYS 17 -8.246 9.710 -7.186 98 HD3 LYS 17 2HD LYS 17 -8.486 11.056 -6.069 99 HE2 LYS 17 1HE LYS 17 -6.702 11.622 -8.334 100 HE3 LYS 17 2HE LYS 17 -8.375 11.287 -8.775 101 HZ1 LYS 17 3HZ LYS 17 -9.133 13.060 -7.445 102 HZ2 LYS 17 1HZ LYS 17 -7.819 13.675 -8.315 103 HZ3 LYS 17 2HZ LYS 17 -7.633 13.254 -6.688 104 H SER 18 H SER 18 -9.277 9.577 -4.256 105 HA SER 18 HA SER 18 -10.142 7.312 -2.665 106 HB2 SER 18 1HB SER 18 -11.677 8.911 -2.201 107 HB3 SER 18 2HB SER 18 -11.363 9.782 -3.702 108 HG SER 18 HG SER 18 -13.147 8.936 -4.391 109 H GLY 19 H GLY 19 -11.327 5.559 -3.410 110 HA2 GLY 19 1HA GLY 19 -12.598 4.852 -5.566 111 HA3 GLY 19 2HA GLY 19 -11.001 5.023 -6.280 112 H GLN 20 H GLN 20 -11.153 2.781 -6.861 113 HA GLN 20 HA GLN 20 -11.294 0.783 -4.800 114 HB2 GLN 20 1HB GLN 20 -11.337 0.854 -7.690 115 HB3 GLN 20 2HB GLN 20 -10.241 -0.395 -7.115 116 HG2 GLN 20 1HG GLN 20 -12.025 -1.362 -5.773 117 HG3 GLN 20 2HG GLN 20 -13.126 -0.096 -6.313 118 HE21 GLN 20 1HE2 GLN 20 -14.499 -1.751 -7.111 119 HE22 GLN 20 2HE2 GLN 20 -14.160 -2.530 -8.616 120 H LEU 21 H LEU 21 -9.672 -0.062 -3.662 121 HA LEU 21 HA LEU 21 -6.919 0.340 -4.620 122 HB2 LEU 21 1HB LEU 21 -8.162 1.195 -2.105 123 HB3 LEU 21 2HB LEU 21 -6.630 0.345 -1.912 124 HG LEU 21 HG LEU 21 -6.741 2.577 -3.871 125 HD11 LEU 21 1HD1 LEU 21 -7.919 3.219 -1.647 126 HD12 LEU 21 2HD1 LEU 21 -6.687 4.285 -2.322 127 HD13 LEU 21 3HD1 LEU 21 -6.283 3.205 -0.987 128 HD21 LEU 21 3HD2 LEU 21 -4.774 0.944 -3.006 129 HD22 LEU 21 1HD2 LEU 21 -4.585 2.294 -1.886 130 HD23 LEU 21 2HD2 LEU 21 -4.501 2.573 -3.626 131 H LEU 22 H LEU 22 -5.383 -1.223 -3.899 132 HA LEU 22 HA LEU 22 -6.559 -3.851 -3.560 133 HB2 LEU 22 1HB LEU 22 -4.573 -3.134 -5.094 134 HB3 LEU 22 2HB LEU 22 -3.617 -3.332 -3.627 135 HG LEU 22 HG LEU 22 -4.368 -5.684 -3.498 136 HD11 LEU 22 1HD1 LEU 22 -6.342 -5.987 -4.572 137 HD12 LEU 22 2HD1 LEU 22 -5.260 -6.445 -5.887 138 HD13 LEU 22 3HD1 LEU 22 -5.959 -4.827 -5.844 139 HD21 LEU 22 3HD2 LEU 22 -2.381 -4.632 -4.994 140 HD22 LEU 22 1HD2 LEU 22 -3.275 -5.525 -6.225 141 HD23 LEU 22 2HD2 LEU 22 -2.661 -6.363 -4.799 142 H MET 23 H MET 23 -5.911 -5.338 -1.918 143 HA MET 23 HA MET 23 -4.941 -4.033 0.540 144 HB2 MET 23 1HB MET 23 -7.012 -6.221 0.286 145 HB3 MET 23 2HB MET 23 -6.382 -5.600 1.806 146 HG2 MET 23 1HG MET 23 -7.201 -3.305 0.861 147 HG3 MET 23 2HG MET 23 -8.230 -4.322 -0.145 148 HE1 MET 23 3HE MET 23 -8.591 -2.418 3.373 149 HE2 MET 23 1HE MET 23 -8.944 -2.117 1.671 150 HE3 MET 23 2HE MET 23 -10.235 -2.615 2.764 151 H CYS 24 H CYS 24 -3.414 -5.080 1.734 152 HA CYS 24 HA CYS 24 -2.007 -7.239 0.428 153 HB2 CYS 24 1HB CYS 24 -0.774 -5.378 1.472 154 HB3 CYS 24 2HB CYS 24 -1.430 -5.828 3.042 155 H ASP 25 H ASP 25 -1.658 -9.298 1.241 156 HA ASP 25 HA ASP 25 -3.710 -10.229 3.101 157 HB2 ASP 25 1HB ASP 25 -2.907 -11.266 0.738 158 HB3 ASP 25 2HB ASP 25 -1.875 -12.177 1.836 159 H THR 26 H THR 26 -1.639 -8.743 4.258 160 HA THR 26 HA THR 26 -0.687 -10.647 6.199 161 HB THR 26 HB THR 26 1.637 -9.122 5.485 162 HG1 THR 26 HG1 THR 26 1.882 -9.585 3.398 163 HG21 THR 26 3HG2 THR 26 2.711 -11.117 5.822 164 HG22 THR 26 1HG2 THR 26 1.448 -12.058 5.029 165 HG23 THR 26 2HG2 THR 26 1.200 -11.453 6.667 166 H CYS 27 H CYS 27 0.296 -7.394 5.105 167 HA CYS 27 HA CYS 27 0.073 -6.425 7.841 168 HB2 CYS 27 1HB CYS 27 1.191 -4.433 7.048 169 HB3 CYS 27 2HB CYS 27 2.050 -5.846 6.446 170 H SER 28 H SER 28 -0.605 -3.818 7.550 171 HA SER 28 HA SER 28 -3.351 -3.940 6.484 172 HB2 SER 28 1HB SER 28 -2.305 -2.566 8.966 173 HB3 SER 28 2HB SER 28 -3.906 -2.262 8.291 174 HG SER 28 HG SER 28 -3.091 -4.287 9.854 175 H ARG 29 H ARG 29 -1.922 -3.187 4.561 176 HA ARG 29 HA ARG 29 -2.111 -0.263 4.481 177 HB2 ARG 29 1HB ARG 29 0.230 -1.758 3.300 178 HB3 ARG 29 2HB ARG 29 0.020 -0.016 3.419 179 HG2 ARG 29 1HG ARG 29 -0.158 -0.842 6.036 180 HG3 ARG 29 2HG ARG 29 1.075 -1.905 5.355 181 HD2 ARG 29 1HD ARG 29 2.382 -0.041 4.632 182 HD3 ARG 29 2HD ARG 29 1.091 1.090 5.037 183 HE ARG 29 HE ARG 29 3.027 -0.036 6.827 184 HH11 ARG 29 1HH1 ARG 29 -0.177 1.303 6.578 185 HH12 ARG 29 2HH1 ARG 29 -0.236 1.808 8.234 186 HH21 ARG 29 1HH2 ARG 29 2.962 0.624 9.010 187 HH22 ARG 29 2HH2 ARG 29 1.550 1.422 9.616 188 H VAL 30 H VAL 30 -2.784 0.578 2.548 189 HA VAL 30 HA VAL 30 -3.559 -1.389 0.500 190 HB VAL 30 HB VAL 30 -5.212 0.305 -0.248 191 HG11 VAL 30 1HG1 VAL 30 -5.337 -1.409 1.929 192 HG12 VAL 30 2HG1 VAL 30 -6.032 0.101 2.521 193 HG13 VAL 30 3HG1 VAL 30 -6.701 -0.676 1.086 194 HG21 VAL 30 3HG2 VAL 30 -5.723 2.193 1.257 195 HG22 VAL 30 1HG2 VAL 30 -4.297 1.789 2.212 196 HG23 VAL 30 2HG2 VAL 30 -4.117 2.316 0.539 197 H TYR 31 H TYR 31 -3.223 -0.937 -1.691 198 HA TYR 31 HA TYR 31 -1.714 1.437 -2.423 199 HB2 TYR 31 1HB TYR 31 -0.607 -1.324 -2.965 200 HB3 TYR 31 2HB TYR 31 0.124 0.209 -3.425 201 HD1 TYR 31 HD1 TYR 31 0.970 1.743 -1.620 202 HD2 TYR 31 HD2 TYR 31 -0.245 -2.256 -0.824 203 HE1 TYR 31 HE1 TYR 31 2.200 1.800 0.510 204 HE2 TYR 31 HE2 TYR 31 0.981 -2.210 1.308 205 HH TYR 31 HH TYR 31 2.490 -1.071 2.540 206 H HIS 32 H HIS 32 -2.160 2.104 -4.445 207 HA HIS 32 HA HIS 32 -4.308 1.049 -5.874 208 HB2 HIS 32 1HB HIS 32 -2.183 3.056 -6.446 209 HB3 HIS 32 2HB HIS 32 -3.124 2.453 -7.807 210 HD2 HIS 32 HD2 HIS 32 -5.969 2.392 -5.867 211 HE1 HIS 32 HE1 HIS 32 -5.363 6.587 -6.060 212 HE2 HIS 32 HE2 HIS 32 -6.975 4.742 -5.474 213 H LEU 33 H LEU 33 -3.925 0.637 -8.406 214 HA LEU 33 HA LEU 33 -2.366 -1.820 -8.500 215 HB2 LEU 33 1HB LEU 33 -4.512 -0.608 -10.186 216 HB3 LEU 33 2HB LEU 33 -3.477 -1.865 -10.863 217 HG LEU 33 HG LEU 33 -5.229 -2.159 -8.422 218 HD11 LEU 33 1HD1 LEU 33 -6.367 -1.951 -10.680 219 HD12 LEU 33 2HD1 LEU 33 -6.714 -3.408 -9.750 220 HD13 LEU 33 3HD1 LEU 33 -5.582 -3.473 -11.101 221 HD21 LEU 33 3HD2 LEU 33 -4.613 -4.661 -9.192 222 HD22 LEU 33 1HD2 LEU 33 -3.704 -3.762 -7.978 223 HD23 LEU 33 2HD2 LEU 33 -3.125 -3.827 -9.642 224 H ASP 34 H ASP 34 -2.281 1.425 -9.697 225 HA ASP 34 HA ASP 34 -0.110 0.762 -11.555 226 HB2 ASP 34 1HB ASP 34 -2.074 2.981 -11.348 227 HB3 ASP 34 2HB ASP 34 -0.479 3.387 -11.976 228 H CYS 35 H CYS 35 -0.735 2.153 -8.488 229 HA CYS 35 HA CYS 35 1.868 3.491 -8.410 230 HB2 CYS 35 1HB CYS 35 -0.234 3.452 -6.242 231 HB3 CYS 35 2HB CYS 35 1.119 4.566 -6.408 232 H LEU 36 H LEU 36 2.470 0.990 -8.622 233 HA LEU 36 HA LEU 36 2.988 0.035 -5.882 234 HB2 LEU 36 1HB LEU 36 2.313 -1.465 -8.384 235 HB3 LEU 36 2HB LEU 36 3.213 -2.244 -7.084 236 HG LEU 36 HG LEU 36 0.440 -1.071 -6.861 237 HD11 LEU 36 1HD1 LEU 36 1.401 -3.633 -7.743 238 HD12 LEU 36 2HD1 LEU 36 -0.249 -3.012 -7.683 239 HD13 LEU 36 3HD1 LEU 36 0.448 -3.802 -6.268 240 HD21 LEU 36 3HD2 LEU 36 0.549 -2.384 -4.657 241 HD22 LEU 36 1HD2 LEU 36 1.379 -0.830 -4.740 242 HD23 LEU 36 2HD2 LEU 36 2.299 -2.329 -4.871 243 H ASP 37 H ASP 37 4.876 -1.750 -6.124 244 HA ASP 37 HA ASP 37 6.968 -0.836 -7.922 245 HB2 ASP 37 1HB ASP 37 6.847 0.272 -5.400 246 HB3 ASP 37 2HB ASP 37 7.980 -1.059 -5.184 247 HA PRO 38 HA PRO 38 7.566 -1.759 -9.449 248 HB2 PRO 38 1HB PRO 38 6.815 -3.675 -11.220 249 HB3 PRO 38 2HB PRO 38 8.482 -3.483 -10.661 250 HG2 PRO 38 1HG PRO 38 6.388 -5.415 -9.743 251 HG3 PRO 38 2HG PRO 38 8.108 -5.699 -10.066 252 HD2 PRO 38 1HD PRO 38 7.130 -5.371 -7.562 253 HD3 PRO 38 2HD PRO 38 8.760 -4.845 -8.027 254 HA PRO 39 HA PRO 39 3.309 -0.784 -9.954 255 HB2 PRO 39 1HB PRO 39 3.132 -0.195 -12.598 256 HB3 PRO 39 2HB PRO 39 3.946 0.855 -11.432 257 HG2 PRO 39 1HG PRO 39 5.124 -1.134 -13.334 258 HG3 PRO 39 2HG PRO 39 5.680 0.503 -12.940 259 HD2 PRO 39 1HD PRO 39 6.808 -1.716 -11.873 260 HD3 PRO 39 2HD PRO 39 6.704 -0.179 -10.991 261 H LEU 40 H LEU 40 1.291 -1.520 -10.725 262 HA LEU 40 HA LEU 40 1.382 -4.118 -12.113 263 HB2 LEU 40 1HB LEU 40 0.060 -3.271 -9.642 264 HB3 LEU 40 2HB LEU 40 -0.993 -4.136 -10.760 265 HG LEU 40 HG LEU 40 1.607 -5.173 -9.632 266 HD11 LEU 40 1HD1 LEU 40 -1.126 -5.208 -8.656 267 HD12 LEU 40 2HD1 LEU 40 0.374 -5.645 -7.840 268 HD13 LEU 40 3HD1 LEU 40 -0.456 -6.828 -8.850 269 HD21 LEU 40 3HD2 LEU 40 1.526 -6.824 -11.120 270 HD22 LEU 40 1HD2 LEU 40 0.305 -5.888 -11.983 271 HD23 LEU 40 2HD2 LEU 40 -0.187 -7.109 -10.808 272 H LYS 41 H LYS 41 -1.028 -4.635 -12.872 273 HA LYS 41 HA LYS 41 -2.207 -2.244 -14.091 274 HB2 LYS 41 1HB LYS 41 -0.739 -3.116 -15.798 275 HB3 LYS 41 2HB LYS 41 -1.373 -4.741 -15.573 276 HG2 LYS 41 1HG LYS 41 -3.560 -3.988 -16.388 277 HG3 LYS 41 2HG LYS 41 -2.894 -2.374 -16.648 278 HD2 LYS 41 1HD LYS 41 -1.169 -4.237 -17.912 279 HD3 LYS 41 2HD LYS 41 -2.824 -4.633 -18.381 280 HE2 LYS 41 1HE LYS 41 -1.626 -1.871 -18.540 281 HE3 LYS 41 2HE LYS 41 -1.687 -3.003 -19.890 282 HZ1 LYS 41 3HZ LYS 41 -4.015 -1.860 -18.444 283 HZ2 LYS 41 1HZ LYS 41 -4.118 -3.028 -19.663 284 HZ3 LYS 41 2HZ LYS 41 -3.526 -1.485 -20.020 285 H THR 42 H THR 42 -2.715 -5.746 -14.461 286 HA THR 42 HA THR 42 -5.554 -5.351 -13.907 287 HB THR 42 HB THR 42 -5.935 -7.516 -14.825 288 HG1 THR 42 HG1 THR 42 -4.482 -8.997 -14.444 289 HG21 THR 42 3HG2 THR 42 -3.699 -6.604 -16.582 290 HG22 THR 42 1HG2 THR 42 -5.090 -5.548 -16.341 291 HG23 THR 42 2HG2 THR 42 -5.314 -7.161 -17.018 292 H ILE 43 H ILE 43 -6.368 -7.704 -12.889 293 HA ILE 43 HA ILE 43 -5.644 -7.480 -10.142 294 HB ILE 43 HB ILE 43 -7.293 -9.614 -11.503 295 HG12 ILE 43 1HG1 ILE 43 -9.070 -8.070 -10.177 296 HG13 ILE 43 2HG1 ILE 43 -7.869 -6.853 -10.594 297 HG21 ILE 43 1HG2 ILE 43 -6.295 -9.454 -8.865 298 HG22 ILE 43 2HG2 ILE 43 -8.026 -9.128 -8.792 299 HG23 ILE 43 3HG2 ILE 43 -7.440 -10.619 -9.531 300 HD11 ILE 43 3HD1 ILE 43 -8.898 -8.707 -12.690 301 HD12 ILE 43 1HD1 ILE 43 -9.852 -7.311 -12.191 302 HD13 ILE 43 2HD1 ILE 43 -8.234 -7.082 -12.855 303 HA PRO 44 HA PRO 44 -2.122 -10.226 -10.498 304 HB2 PRO 44 1HB PRO 44 -1.325 -9.932 -7.919 305 HB3 PRO 44 2HB PRO 44 -0.997 -8.727 -9.170 306 HG2 PRO 44 1HG PRO 44 -3.146 -8.757 -7.087 307 HG3 PRO 44 2HG PRO 44 -2.128 -7.409 -7.623 308 HD2 PRO 44 1HD PRO 44 -4.677 -7.739 -8.476 309 HD3 PRO 44 2HD PRO 44 -3.414 -7.017 -9.495 310 H LYS 45 H LYS 45 -3.479 -12.098 -10.771 311 HA LYS 45 HA LYS 45 -4.945 -13.402 -8.829 312 HB2 LYS 45 1HB LYS 45 -3.358 -14.459 -11.162 313 HB3 LYS 45 2HB LYS 45 -4.315 -15.518 -10.133 314 HG2 LYS 45 1HG LYS 45 -6.013 -15.099 -11.498 315 HG3 LYS 45 2HG LYS 45 -6.068 -13.485 -10.784 316 HD2 LYS 45 1HD LYS 45 -5.753 -12.754 -12.880 317 HD3 LYS 45 2HD LYS 45 -4.071 -13.231 -12.638 318 HE2 LYS 45 1HE LYS 45 -5.423 -15.570 -13.369 319 HE3 LYS 45 2HE LYS 45 -6.045 -14.312 -14.436 320 HZ1 LYS 45 3HZ LYS 45 -3.863 -13.814 -15.177 321 HZ2 LYS 45 1HZ LYS 45 -4.036 -15.495 -15.268 322 HZ3 LYS 45 2HZ LYS 45 -3.153 -14.803 -14.003 323 H GLY 46 H GLY 46 -4.459 -15.325 -7.567 324 HA2 GLY 46 1HA GLY 46 -3.137 -16.647 -6.202 325 HA3 GLY 46 2HA GLY 46 -1.717 -15.992 -7.004 326 H MET 47 H MET 47 -1.855 -16.452 -4.242 327 HA MET 47 HA MET 47 -2.594 -14.336 -2.632 328 HB2 MET 47 1HB MET 47 -1.815 -16.413 -1.683 329 HB3 MET 47 2HB MET 47 -0.218 -16.186 -2.383 330 HG2 MET 47 1HG MET 47 0.428 -14.719 -0.790 331 HG3 MET 47 2HG MET 47 -1.193 -14.058 -0.584 332 HE1 MET 47 3HE MET 47 0.268 -14.995 2.656 333 HE2 MET 47 1HE MET 47 1.179 -16.352 1.992 334 HE3 MET 47 2HE MET 47 1.194 -14.793 1.168 335 H TRP 48 H TRP 48 -2.200 -12.272 -3.185 336 HA TRP 48 HA TRP 48 0.448 -11.508 -4.147 337 HB2 TRP 48 1HB TRP 48 -1.555 -10.656 -5.323 338 HB3 TRP 48 2HB TRP 48 -2.060 -9.840 -3.846 339 HD1 TRP 48 HD1 TRP 48 0.584 -9.639 -6.619 340 HE1 TRP 48 HE1 TRP 48 1.613 -7.280 -6.596 341 HE3 TRP 48 HE3 TRP 48 -1.614 -7.836 -2.370 342 HZ2 TRP 48 HZ2 TRP 48 1.508 -4.962 -4.988 343 HZ3 TRP 48 HZ3 TRP 48 -1.097 -5.538 -1.658 344 HH2 TRP 48 HH2 TRP 48 0.433 -4.133 -2.941 345 H ILE 49 H ILE 49 1.768 -10.010 -3.121 346 HA ILE 49 HA ILE 49 0.974 -9.103 -0.451 347 HB ILE 49 HB ILE 49 3.654 -10.390 -0.959 348 HG12 ILE 49 1HG1 ILE 49 1.245 -11.546 0.461 349 HG13 ILE 49 2HG1 ILE 49 1.837 -12.057 -1.115 350 HG21 ILE 49 1HG2 ILE 49 4.218 -9.451 0.969 351 HG22 ILE 49 2HG2 ILE 49 2.608 -8.752 1.128 352 HG23 ILE 49 3HG2 ILE 49 2.937 -10.362 1.769 353 HD11 ILE 49 3HD1 ILE 49 3.159 -13.516 -0.122 354 HD12 ILE 49 1HD1 ILE 49 4.006 -12.197 0.685 355 HD13 ILE 49 2HD1 ILE 49 2.614 -12.957 1.459 356 H CYS 50 H CYS 50 1.468 -7.035 -0.127 357 HA CYS 50 HA CYS 50 2.511 -5.361 -2.057 358 HB2 CYS 50 1HB CYS 50 2.581 -3.654 -0.393 359 HB3 CYS 50 2HB CYS 50 1.223 -4.698 0.014 360 HA PRO 51 HA PRO 51 6.877 -5.814 -2.026 361 HB2 PRO 51 1HB PRO 51 7.668 -3.278 -2.586 362 HB3 PRO 51 2HB PRO 51 6.920 -4.338 -3.786 363 HG2 PRO 51 1HG PRO 51 5.683 -2.153 -2.156 364 HG3 PRO 51 2HG PRO 51 5.458 -2.532 -3.874 365 HD2 PRO 51 1HD PRO 51 3.671 -3.261 -1.975 366 HD3 PRO 51 2HD PRO 51 3.964 -4.231 -3.433 367 H ARG 52 H ARG 52 5.284 -3.796 0.226 368 HA ARG 52 HA ARG 52 7.630 -2.910 1.629 369 HB2 ARG 52 1HB ARG 52 4.774 -2.453 1.764 370 HB3 ARG 52 2HB ARG 52 5.444 -2.731 3.366 371 HG2 ARG 52 1HG ARG 52 7.171 -0.957 1.969 372 HG3 ARG 52 2HG ARG 52 5.512 -0.372 1.814 373 HD2 ARG 52 1HD ARG 52 5.289 -0.653 4.299 374 HD3 ARG 52 2HD ARG 52 7.021 -0.977 4.350 375 HE ARG 52 HE ARG 52 6.321 1.492 3.043 376 HH11 ARG 52 1HH1 ARG 52 7.065 -0.050 6.074 377 HH12 ARG 52 2HH1 ARG 52 7.581 1.415 6.842 378 HH21 ARG 52 1HH2 ARG 52 6.998 3.427 4.043 379 HH22 ARG 52 2HH2 ARG 52 7.542 3.392 5.686 380 H CYS 53 H CYS 53 5.585 -5.694 1.679 381 HA CYS 53 HA CYS 53 6.441 -6.554 4.310 382 HB2 CYS 53 1HB CYS 53 4.591 -7.625 2.216 383 HB3 CYS 53 2HB CYS 53 5.202 -8.716 3.455 384 H GLN 54 H GLN 54 6.775 -7.803 0.986 385 HA GLN 54 HA GLN 54 8.482 -9.911 1.495 386 HB2 GLN 54 1HB GLN 54 8.309 -8.082 -0.898 387 HB3 GLN 54 2HB GLN 54 9.321 -9.520 -0.864 388 HG2 GLN 54 1HG GLN 54 6.529 -9.959 -0.083 389 HG3 GLN 54 2HG GLN 54 6.768 -9.448 -1.753 390 HE21 GLN 54 1HE2 GLN 54 6.820 -11.105 -3.074 391 HE22 GLN 54 2HE2 GLN 54 7.542 -12.643 -2.761 392 H ASP 55 H ASP 55 9.177 -6.496 1.366 393 HA ASP 55 HA ASP 55 12.053 -6.962 1.498 394 HB2 ASP 55 1HB ASP 55 10.722 -5.045 0.208 395 HB3 ASP 55 2HB ASP 55 10.900 -4.228 1.758 396 H GLN 56 H GLN 56 9.618 -5.162 3.385 397 HA GLN 56 HA GLN 56 9.503 -4.616 5.590 398 HB2 GLN 56 1HB GLN 56 9.538 -7.156 5.689 399 HB3 GLN 56 2HB GLN 56 11.246 -7.026 6.088 400 HG2 GLN 56 1HG GLN 56 10.844 -6.198 8.172 401 HG3 GLN 56 2HG GLN 56 9.310 -5.465 7.707 402 HE21 GLN 56 1HE2 GLN 56 7.498 -6.491 8.217 403 HE22 GLN 56 2HE2 GLN 56 7.392 -8.115 8.796 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -3.314 8.167 18.644 2 HA2 GLY 1 1HA GLY 1 -6.089 8.629 19.065 3 HA3 GLY 1 2HA GLY 1 -5.391 7.399 18.022 4 H SER 2 H SER 2 -5.840 5.380 18.564 5 HA SER 2 HA SER 2 -5.703 4.438 21.256 6 HB2 SER 2 1HB SER 2 -8.392 4.894 19.988 7 HB3 SER 2 2HB SER 2 -8.161 3.612 21.177 8 HG SER 2 HG SER 2 -7.847 5.068 22.719 9 H SER 3 H SER 3 -4.522 2.697 20.762 10 HA SER 3 HA SER 3 -4.834 1.193 18.369 11 HB2 SER 3 1HB SER 3 -3.367 -0.481 19.802 12 HB3 SER 3 2HB SER 3 -2.678 1.017 19.176 13 HG SER 3 HG SER 3 -2.161 0.892 21.331 14 H GLY 4 H GLY 4 -6.582 -0.001 17.980 15 HA2 GLY 4 1HA GLY 4 -7.253 -2.195 19.684 16 HA3 GLY 4 2HA GLY 4 -8.459 -0.919 19.773 17 H SER 5 H SER 5 -9.452 -0.232 17.724 18 HA SER 5 HA SER 5 -10.467 -2.418 16.295 19 HB2 SER 5 1HB SER 5 -11.698 -0.854 15.032 20 HB3 SER 5 2HB SER 5 -11.469 -0.062 16.591 21 HG SER 5 HG SER 5 -9.754 1.112 15.671 22 H SER 6 H SER 6 -9.800 -3.483 14.540 23 HA SER 6 HA SER 6 -7.221 -2.851 13.416 24 HB2 SER 6 1HB SER 6 -9.193 -5.090 12.986 25 HB3 SER 6 2HB SER 6 -7.749 -4.921 11.989 26 HG SER 6 HG SER 6 -7.210 -6.242 13.678 27 H GLY 7 H GLY 7 -6.814 -1.800 11.575 28 HA2 GLY 7 1HA GLY 7 -8.943 -1.551 9.570 29 HA3 GLY 7 2HA GLY 7 -8.237 -0.081 10.224 30 H HIS 8 H HIS 8 -8.255 -1.273 7.477 31 HA HIS 8 HA HIS 8 -5.343 -1.457 7.071 32 HB2 HIS 8 1HB HIS 8 -7.659 -2.744 5.686 33 HB3 HIS 8 2HB HIS 8 -6.198 -2.410 4.760 34 HD2 HIS 8 HD2 HIS 8 -5.329 -5.015 4.559 35 HE1 HIS 8 HE1 HIS 8 -5.072 -5.779 8.724 36 HE2 HIS 8 HE2 HIS 8 -4.487 -6.605 6.418 37 H GLU 9 H GLU 9 -7.046 0.971 7.305 38 HA GLU 9 HA GLU 9 -7.230 3.022 6.340 39 HB2 GLU 9 1HB GLU 9 -5.168 2.118 4.337 40 HB3 GLU 9 2HB GLU 9 -5.486 3.752 4.902 41 HG2 GLU 9 1HG GLU 9 -4.665 3.128 7.128 42 HG3 GLU 9 2HG GLU 9 -4.307 1.510 6.527 43 H ASP 10 H ASP 10 -7.336 4.058 3.920 44 HA ASP 10 HA ASP 10 -8.680 2.334 2.037 45 HB2 ASP 10 1HB ASP 10 -10.186 4.409 3.622 46 HB3 ASP 10 2HB ASP 10 -10.740 3.860 2.042 47 H PHE 11 H PHE 11 -6.351 4.074 2.091 48 HA PHE 11 HA PHE 11 -6.996 5.657 -0.268 49 HB2 PHE 11 1HB PHE 11 -5.458 6.897 2.015 50 HB3 PHE 11 2HB PHE 11 -6.027 7.685 0.546 51 HD1 PHE 11 HD2 PHE 11 -8.544 7.870 0.201 52 HD2 PHE 11 HD1 PHE 11 -6.762 6.886 3.939 53 HE1 PHE 11 HE2 PHE 11 -10.612 8.533 1.357 54 HE2 PHE 11 HE1 PHE 11 -8.827 7.547 5.101 55 HZ PHE 11 HZ PHE 11 -10.755 8.373 3.810 56 H CYS 12 H CYS 12 -5.343 5.798 -1.721 57 HA CYS 12 HA CYS 12 -3.335 3.904 -1.737 58 HB2 CYS 12 1HB CYS 12 -4.127 5.158 -3.728 59 HB3 CYS 12 2HB CYS 12 -3.272 6.582 -3.143 60 H SER 13 H SER 13 -1.243 3.801 -1.083 61 HA SER 13 HA SER 13 -0.365 5.871 0.781 62 HB2 SER 13 1HB SER 13 -0.307 3.150 0.978 63 HB3 SER 13 2HB SER 13 1.332 3.486 0.421 64 HG SER 13 HG SER 13 1.128 3.532 2.718 65 H VAL 14 H VAL 14 -0.292 6.553 -1.951 66 HA VAL 14 HA VAL 14 2.541 7.151 -2.213 67 HB VAL 14 HB VAL 14 1.012 5.795 -4.439 68 HG11 VAL 14 1HG1 VAL 14 2.383 7.332 -5.522 69 HG12 VAL 14 2HG1 VAL 14 3.682 7.152 -4.340 70 HG13 VAL 14 3HG1 VAL 14 3.359 5.863 -5.500 71 HG21 VAL 14 3HG2 VAL 14 1.682 4.126 -2.907 72 HG22 VAL 14 1HG2 VAL 14 2.887 4.105 -4.195 73 HG23 VAL 14 2HG2 VAL 14 3.255 4.881 -2.654 74 H CYS 15 H CYS 15 -0.683 7.460 -3.670 75 HA CYS 15 HA CYS 15 -0.014 10.248 -4.356 76 HB2 CYS 15 1HB CYS 15 -1.636 10.110 -6.163 77 HB3 CYS 15 2HB CYS 15 -0.455 8.814 -6.324 78 H ARG 16 H ARG 16 -2.168 8.125 -2.691 79 HA ARG 16 HA ARG 16 -3.877 8.494 -1.235 80 HB2 ARG 16 1HB ARG 16 -3.139 11.417 -1.315 81 HB3 ARG 16 2HB ARG 16 -3.936 10.540 -0.016 82 HG2 ARG 16 1HG ARG 16 -1.877 9.268 0.376 83 HG3 ARG 16 2HG ARG 16 -1.082 10.184 -0.905 84 HD2 ARG 16 1HD ARG 16 -0.511 11.104 1.265 85 HD3 ARG 16 2HD ARG 16 -1.481 12.256 0.348 86 HE ARG 16 HE ARG 16 -3.213 10.753 1.934 87 HH11 ARG 16 1HH1 ARG 16 -0.640 13.067 2.316 88 HH12 ARG 16 2HH1 ARG 16 -1.253 13.699 3.808 89 HH21 ARG 16 1HH2 ARG 16 -4.031 11.577 3.897 90 HH22 ARG 16 2HH2 ARG 16 -3.182 12.850 4.707 91 H LYS 17 H LYS 17 -5.283 7.959 -3.040 92 HA LYS 17 HA LYS 17 -7.090 10.177 -3.645 93 HB2 LYS 17 1HB LYS 17 -5.569 8.558 -5.628 94 HB3 LYS 17 2HB LYS 17 -7.236 8.964 -6.016 95 HG2 LYS 17 1HG LYS 17 -6.793 11.268 -6.003 96 HG3 LYS 17 2HG LYS 17 -5.244 11.049 -5.185 97 HD2 LYS 17 1HD LYS 17 -4.475 11.331 -7.307 98 HD3 LYS 17 2HD LYS 17 -4.757 9.589 -7.359 99 HE2 LYS 17 1HE LYS 17 -7.206 10.803 -8.005 100 HE3 LYS 17 2HE LYS 17 -5.973 11.683 -8.906 101 HZ1 LYS 17 3HZ LYS 17 -6.783 9.822 -10.185 102 HZ2 LYS 17 1HZ LYS 17 -6.398 8.743 -8.939 103 HZ3 LYS 17 2HZ LYS 17 -5.166 9.556 -9.766 104 H SER 18 H SER 18 -9.230 9.516 -4.208 105 HA SER 18 HA SER 18 -10.078 7.183 -2.797 106 HB2 SER 18 1HB SER 18 -12.281 7.919 -3.193 107 HB3 SER 18 2HB SER 18 -11.344 9.410 -3.087 108 HG SER 18 HG SER 18 -12.034 9.836 -5.012 109 H GLY 19 H GLY 19 -11.923 5.851 -4.025 110 HA2 GLY 19 1HA GLY 19 -12.488 4.831 -6.169 111 HA3 GLY 19 2HA GLY 19 -10.795 4.984 -6.613 112 H GLN 20 H GLN 20 -10.698 2.757 -7.098 113 HA GLN 20 HA GLN 20 -11.137 0.868 -4.928 114 HB2 GLN 20 1HB GLN 20 -10.424 0.538 -7.838 115 HB3 GLN 20 2HB GLN 20 -10.445 -0.813 -6.712 116 HG2 GLN 20 1HG GLN 20 -12.583 -1.061 -7.230 117 HG3 GLN 20 2HG GLN 20 -12.886 0.412 -6.310 118 HE21 GLN 20 1HE2 GLN 20 -12.079 -0.781 -9.531 119 HE22 GLN 20 2HE2 GLN 20 -12.864 0.492 -10.396 120 H LEU 21 H LEU 21 -9.577 -0.038 -3.729 121 HA LEU 21 HA LEU 21 -6.780 0.344 -4.557 122 HB2 LEU 21 1HB LEU 21 -8.137 1.205 -2.099 123 HB3 LEU 21 2HB LEU 21 -6.605 0.372 -1.846 124 HG LEU 21 HG LEU 21 -6.684 2.611 -3.806 125 HD11 LEU 21 1HD1 LEU 21 -6.693 4.304 -2.251 126 HD12 LEU 21 2HD1 LEU 21 -6.258 3.233 -0.920 127 HD13 LEU 21 3HD1 LEU 21 -7.896 3.206 -1.573 128 HD21 LEU 21 3HD2 LEU 21 -4.722 0.980 -2.919 129 HD22 LEU 21 1HD2 LEU 21 -4.559 2.325 -1.789 130 HD23 LEU 21 2HD2 LEU 21 -4.449 2.615 -3.525 131 H LEU 22 H LEU 22 -5.325 -1.271 -3.941 132 HA LEU 22 HA LEU 22 -6.542 -3.863 -3.522 133 HB2 LEU 22 1HB LEU 22 -4.549 -3.182 -5.084 134 HB3 LEU 22 2HB LEU 22 -3.592 -3.434 -3.626 135 HG LEU 22 HG LEU 22 -4.419 -5.757 -3.520 136 HD11 LEU 22 1HD1 LEU 22 -6.084 -4.793 -5.742 137 HD12 LEU 22 2HD1 LEU 22 -6.381 -6.074 -4.567 138 HD13 LEU 22 3HD1 LEU 22 -5.362 -6.386 -5.971 139 HD21 LEU 22 3HD2 LEU 22 -3.347 -5.494 -6.272 140 HD22 LEU 22 1HD2 LEU 22 -2.824 -6.529 -4.943 141 HD23 LEU 22 2HD2 LEU 22 -2.387 -4.820 -4.954 142 H MET 23 H MET 23 -5.891 -5.344 -1.873 143 HA MET 23 HA MET 23 -4.901 -4.014 0.564 144 HB2 MET 23 1HB MET 23 -6.966 -6.202 0.289 145 HB3 MET 23 2HB MET 23 -6.284 -5.681 1.823 146 HG2 MET 23 1HG MET 23 -7.150 -3.336 0.626 147 HG3 MET 23 2HG MET 23 -8.404 -4.515 0.249 148 HE1 MET 23 3HE MET 23 -8.284 -1.882 1.727 149 HE2 MET 23 1HE MET 23 -9.789 -2.278 2.556 150 HE3 MET 23 2HE MET 23 -8.343 -1.900 3.491 151 H CYS 24 H CYS 24 -3.491 -5.151 1.899 152 HA CYS 24 HA CYS 24 -1.989 -7.242 0.547 153 HB2 CYS 24 1HB CYS 24 -0.777 -5.367 1.578 154 HB3 CYS 24 2HB CYS 24 -1.441 -5.800 3.150 155 H ASP 25 H ASP 25 -1.621 -9.295 1.364 156 HA ASP 25 HA ASP 25 -3.652 -10.236 3.244 157 HB2 ASP 25 1HB ASP 25 -3.034 -11.281 0.896 158 HB3 ASP 25 2HB ASP 25 -1.777 -12.087 1.832 159 H THR 26 H THR 26 -1.639 -8.753 4.429 160 HA THR 26 HA THR 26 -0.641 -10.644 6.343 161 HB THR 26 HB THR 26 1.696 -9.166 5.633 162 HG1 THR 26 HG1 THR 26 1.869 -9.465 3.528 163 HG21 THR 26 3HG2 THR 26 2.384 -11.663 5.070 164 HG22 THR 26 1HG2 THR 26 0.861 -12.011 5.886 165 HG23 THR 26 2HG2 THR 26 2.132 -11.127 6.731 166 H CYS 27 H CYS 27 0.398 -7.417 5.230 167 HA CYS 27 HA CYS 27 0.201 -6.423 7.955 168 HB2 CYS 27 1HB CYS 27 1.347 -4.467 7.157 169 HB3 CYS 27 2HB CYS 27 2.153 -5.879 6.482 170 H SER 28 H SER 28 -0.461 -3.809 7.646 171 HA SER 28 HA SER 28 -3.226 -3.923 6.630 172 HB2 SER 28 1HB SER 28 -3.747 -2.235 8.431 173 HB3 SER 28 2HB SER 28 -3.314 -3.837 9.027 174 HG SER 28 HG SER 28 -2.153 -1.503 9.564 175 H ARG 29 H ARG 29 -2.179 -3.161 4.613 176 HA ARG 29 HA ARG 29 -2.250 -0.256 4.527 177 HB2 ARG 29 1HB ARG 29 0.105 -1.774 3.394 178 HB3 ARG 29 2HB ARG 29 -0.143 -0.034 3.355 179 HG2 ARG 29 1HG ARG 29 -0.028 -0.009 5.830 180 HG3 ARG 29 2HG ARG 29 0.359 -1.731 5.789 181 HD2 ARG 29 1HD ARG 29 2.440 -0.677 5.943 182 HD3 ARG 29 2HD ARG 29 2.280 -1.072 4.233 183 HE ARG 29 HE ARG 29 2.312 1.161 3.763 184 HH11 ARG 29 1HH1 ARG 29 1.542 0.735 7.131 185 HH12 ARG 29 2HH1 ARG 29 1.605 2.427 7.494 186 HH21 ARG 29 1HH2 ARG 29 2.398 3.393 4.229 187 HH22 ARG 29 2HH2 ARG 29 2.092 3.938 5.843 188 H VAL 30 H VAL 30 -2.648 0.589 2.438 189 HA VAL 30 HA VAL 30 -3.516 -1.430 0.471 190 HB VAL 30 HB VAL 30 -5.263 0.113 -0.258 191 HG11 VAL 30 1HG1 VAL 30 -6.394 -1.158 1.193 192 HG12 VAL 30 2HG1 VAL 30 -5.129 -1.046 2.417 193 HG13 VAL 30 3HG1 VAL 30 -6.326 0.240 2.265 194 HG21 VAL 30 3HG2 VAL 30 -4.107 2.206 0.336 195 HG22 VAL 30 1HG2 VAL 30 -5.755 2.152 0.960 196 HG23 VAL 30 2HG2 VAL 30 -4.394 1.862 2.042 197 H TYR 31 H TYR 31 -3.170 -0.998 -1.715 198 HA TYR 31 HA TYR 31 -1.713 1.418 -2.446 199 HB2 TYR 31 1HB TYR 31 -0.599 -1.334 -3.022 200 HB3 TYR 31 2HB TYR 31 0.115 0.205 -3.492 201 HD1 TYR 31 HD1 TYR 31 1.078 1.699 -1.757 202 HD2 TYR 31 HD2 TYR 31 -0.291 -2.222 -0.832 203 HE1 TYR 31 HE1 TYR 31 2.344 1.760 0.351 204 HE2 TYR 31 HE2 TYR 31 0.971 -2.171 1.279 205 HH TYR 31 HH TYR 31 2.802 -1.042 2.302 206 H HIS 32 H HIS 32 -2.173 2.101 -4.462 207 HA HIS 32 HA HIS 32 -4.339 1.062 -5.875 208 HB2 HIS 32 1HB HIS 32 -2.214 3.067 -6.455 209 HB3 HIS 32 2HB HIS 32 -3.169 2.475 -7.811 210 HD2 HIS 32 HD2 HIS 32 -6.009 2.409 -5.885 211 HE1 HIS 32 HE1 HIS 32 -5.373 6.602 -5.987 212 HE2 HIS 32 HE2 HIS 32 -7.000 4.757 -5.446 213 H LEU 33 H LEU 33 -3.986 0.665 -8.413 214 HA LEU 33 HA LEU 33 -2.439 -1.798 -8.541 215 HB2 LEU 33 1HB LEU 33 -4.601 -0.564 -10.188 216 HB3 LEU 33 2HB LEU 33 -3.573 -1.807 -10.899 217 HG LEU 33 HG LEU 33 -5.289 -2.148 -8.440 218 HD11 LEU 33 1HD1 LEU 33 -5.755 -3.611 -10.982 219 HD12 LEU 33 2HD1 LEU 33 -6.292 -1.935 -10.875 220 HD13 LEU 33 3HD1 LEU 33 -6.895 -3.129 -9.725 221 HD21 LEU 33 3HD2 LEU 33 -4.646 -4.633 -9.371 222 HD22 LEU 33 1HD2 LEU 33 -3.851 -3.812 -8.027 223 HD23 LEU 33 2HD2 LEU 33 -3.150 -3.738 -9.644 224 H ASP 34 H ASP 34 -2.340 1.457 -9.703 225 HA ASP 34 HA ASP 34 -0.191 0.796 -11.589 226 HB2 ASP 34 1HB ASP 34 -2.045 3.131 -11.289 227 HB3 ASP 34 2HB ASP 34 -0.506 3.346 -12.117 228 H CYS 35 H CYS 35 -0.785 2.168 -8.506 229 HA CYS 35 HA CYS 35 1.823 3.496 -8.440 230 HB2 CYS 35 1HB CYS 35 -0.260 3.442 -6.254 231 HB3 CYS 35 2HB CYS 35 1.096 4.553 -6.420 232 H LEU 36 H LEU 36 2.413 0.993 -8.681 233 HA LEU 36 HA LEU 36 2.960 0.015 -5.955 234 HB2 LEU 36 1HB LEU 36 2.244 -1.463 -8.458 235 HB3 LEU 36 2HB LEU 36 3.159 -2.256 -7.178 236 HG LEU 36 HG LEU 36 0.395 -1.074 -6.906 237 HD11 LEU 36 1HD1 LEU 36 1.329 -3.628 -7.828 238 HD12 LEU 36 2HD1 LEU 36 -0.318 -3.007 -7.725 239 HD13 LEU 36 3HD1 LEU 36 0.409 -3.813 -6.335 240 HD21 LEU 36 3HD2 LEU 36 1.422 -0.853 -4.804 241 HD22 LEU 36 1HD2 LEU 36 2.247 -2.405 -4.950 242 HD23 LEU 36 2HD2 LEU 36 0.501 -2.355 -4.709 243 H ASP 37 H ASP 37 4.835 -1.778 -6.234 244 HA ASP 37 HA ASP 37 6.909 -0.862 -8.053 245 HB2 ASP 37 1HB ASP 37 7.002 0.515 -5.886 246 HB3 ASP 37 2HB ASP 37 7.536 -0.973 -5.108 247 HA PRO 38 HA PRO 38 7.485 -1.780 -9.591 248 HB2 PRO 38 1HB PRO 38 6.705 -3.684 -11.362 249 HB3 PRO 38 2HB PRO 38 8.378 -3.501 -10.823 250 HG2 PRO 38 1HG PRO 38 6.288 -5.429 -9.889 251 HG3 PRO 38 2HG PRO 38 8.003 -5.719 -10.233 252 HD2 PRO 38 1HD PRO 38 7.057 -5.399 -7.717 253 HD3 PRO 38 2HD PRO 38 8.684 -4.877 -8.199 254 HA PRO 39 HA PRO 39 3.225 -0.785 -10.037 255 HB2 PRO 39 1HB PRO 39 3.019 -0.179 -12.676 256 HB3 PRO 39 2HB PRO 39 3.851 0.861 -11.513 257 HG2 PRO 39 1HG PRO 39 4.998 -1.121 -13.441 258 HG3 PRO 39 2HG PRO 39 5.566 0.511 -13.044 259 HD2 PRO 39 1HD PRO 39 6.698 -1.718 -12.004 260 HD3 PRO 39 2HD PRO 39 6.610 -0.186 -11.111 261 H LEU 40 H LEU 40 1.199 -1.525 -10.758 262 HA LEU 40 HA LEU 40 1.264 -4.117 -12.159 263 HB2 LEU 40 1HB LEU 40 -0.052 -3.245 -9.692 264 HB3 LEU 40 2HB LEU 40 -1.108 -4.114 -10.805 265 HG LEU 40 HG LEU 40 1.481 -5.147 -9.646 266 HD11 LEU 40 1HD1 LEU 40 -1.029 -6.546 -9.098 267 HD12 LEU 40 2HD1 LEU 40 -0.927 -4.936 -8.386 268 HD13 LEU 40 3HD1 LEU 40 0.308 -6.141 -8.021 269 HD21 LEU 40 3HD2 LEU 40 1.397 -6.298 -11.612 270 HD22 LEU 40 1HD2 LEU 40 -0.353 -6.140 -11.761 271 HD23 LEU 40 2HD2 LEU 40 0.334 -7.317 -10.641 272 H LYS 41 H LYS 41 -1.150 -4.618 -12.913 273 HA LYS 41 HA LYS 41 -2.326 -2.225 -14.127 274 HB2 LYS 41 1HB LYS 41 -0.799 -3.141 -15.804 275 HB3 LYS 41 2HB LYS 41 -1.557 -4.721 -15.653 276 HG2 LYS 41 1HG LYS 41 -3.704 -3.625 -16.398 277 HG3 LYS 41 2HG LYS 41 -2.734 -2.206 -16.800 278 HD2 LYS 41 1HD LYS 41 -1.339 -3.646 -18.269 279 HD3 LYS 41 2HD LYS 41 -2.440 -4.986 -17.938 280 HE2 LYS 41 1HE LYS 41 -4.057 -2.828 -18.705 281 HE3 LYS 41 2HE LYS 41 -2.696 -2.830 -19.825 282 HZ1 LYS 41 3HZ LYS 41 -4.724 -4.240 -20.402 283 HZ2 LYS 41 1HZ LYS 41 -4.173 -5.313 -19.216 284 HZ3 LYS 41 2HZ LYS 41 -3.202 -4.961 -20.555 285 H THR 42 H THR 42 -2.797 -5.738 -14.477 286 HA THR 42 HA THR 42 -5.649 -5.366 -13.977 287 HB THR 42 HB THR 42 -5.981 -7.569 -14.846 288 HG1 THR 42 HG1 THR 42 -3.150 -7.812 -14.648 289 HG21 THR 42 3HG2 THR 42 -4.986 -7.400 -17.070 290 HG22 THR 42 1HG2 THR 42 -3.829 -6.210 -16.474 291 HG23 THR 42 2HG2 THR 42 -5.549 -5.822 -16.518 292 H ILE 43 H ILE 43 -6.455 -7.710 -12.934 293 HA ILE 43 HA ILE 43 -5.779 -7.434 -10.179 294 HB ILE 43 HB ILE 43 -7.393 -9.590 -11.546 295 HG12 ILE 43 1HG1 ILE 43 -8.773 -7.580 -9.918 296 HG13 ILE 43 2HG1 ILE 43 -7.981 -6.909 -11.339 297 HG21 ILE 43 1HG2 ILE 43 -7.445 -10.618 -9.582 298 HG22 ILE 43 2HG2 ILE 43 -6.453 -9.352 -8.861 299 HG23 ILE 43 3HG2 ILE 43 -8.209 -9.193 -8.879 300 HD11 ILE 43 3HD1 ILE 43 -10.390 -7.607 -11.603 301 HD12 ILE 43 1HD1 ILE 43 -9.256 -8.237 -12.798 302 HD13 ILE 43 2HD1 ILE 43 -9.821 -9.272 -11.486 303 HA PRO 44 HA PRO 44 -2.224 -10.148 -10.432 304 HB2 PRO 44 1HB PRO 44 -1.474 -9.804 -7.845 305 HB3 PRO 44 2HB PRO 44 -1.136 -8.616 -9.110 306 HG2 PRO 44 1HG PRO 44 -3.320 -8.635 -7.063 307 HG3 PRO 44 2HG PRO 44 -2.307 -7.285 -7.604 308 HD2 PRO 44 1HD PRO 44 -4.837 -7.655 -8.494 309 HD3 PRO 44 2HD PRO 44 -3.566 -6.937 -9.504 310 H LYS 45 H LYS 45 -3.629 -12.011 -10.695 311 HA LYS 45 HA LYS 45 -5.072 -13.299 -8.727 312 HB2 LYS 45 1HB LYS 45 -3.982 -13.970 -11.314 313 HB3 LYS 45 2HB LYS 45 -3.852 -15.343 -10.222 314 HG2 LYS 45 1HG LYS 45 -5.986 -15.808 -10.547 315 HG3 LYS 45 2HG LYS 45 -6.437 -14.227 -9.904 316 HD2 LYS 45 1HD LYS 45 -7.369 -14.184 -12.024 317 HD3 LYS 45 2HD LYS 45 -5.824 -13.371 -12.277 318 HE2 LYS 45 1HE LYS 45 -5.305 -14.871 -13.828 319 HE3 LYS 45 2HE LYS 45 -5.382 -16.143 -12.610 320 HZ1 LYS 45 3HZ LYS 45 -6.852 -16.596 -14.477 321 HZ2 LYS 45 1HZ LYS 45 -7.683 -15.148 -14.202 322 HZ3 LYS 45 2HZ LYS 45 -7.738 -16.386 -13.052 323 H GLY 46 H GLY 46 -4.573 -15.231 -7.474 324 HA2 GLY 46 1HA GLY 46 -3.233 -16.557 -6.130 325 HA3 GLY 46 2HA GLY 46 -1.823 -15.892 -6.942 326 H MET 47 H MET 47 -1.957 -16.367 -4.173 327 HA MET 47 HA MET 47 -2.682 -14.251 -2.558 328 HB2 MET 47 1HB MET 47 -1.916 -16.331 -1.610 329 HB3 MET 47 2HB MET 47 -0.321 -16.119 -2.317 330 HG2 MET 47 1HG MET 47 0.309 -14.548 -0.775 331 HG3 MET 47 2HG MET 47 -1.348 -14.049 -0.446 332 HE1 MET 47 3HE MET 47 -0.390 -15.060 2.999 333 HE2 MET 47 1HE MET 47 1.121 -15.192 2.099 334 HE3 MET 47 2HE MET 47 -0.011 -13.889 1.734 335 H TRP 48 H TRP 48 -2.278 -12.189 -3.114 336 HA TRP 48 HA TRP 48 0.384 -11.441 -4.054 337 HB2 TRP 48 1HB TRP 48 -1.611 -10.603 -5.265 338 HB3 TRP 48 2HB TRP 48 -2.115 -9.753 -3.807 339 HD1 TRP 48 HD1 TRP 48 0.539 -9.633 -6.574 340 HE1 TRP 48 HE1 TRP 48 1.598 -7.287 -6.588 341 HE3 TRP 48 HE3 TRP 48 -1.645 -7.730 -2.361 342 HZ2 TRP 48 HZ2 TRP 48 1.518 -4.940 -5.021 343 HZ3 TRP 48 HZ3 TRP 48 -1.100 -5.427 -1.687 344 HH2 TRP 48 HH2 TRP 48 0.450 -4.063 -2.991 345 H ILE 49 H ILE 49 1.684 -9.923 -3.026 346 HA ILE 49 HA ILE 49 0.848 -8.989 -0.379 347 HB ILE 49 HB ILE 49 3.463 -10.413 -0.888 348 HG12 ILE 49 1HG1 ILE 49 1.077 -11.208 0.795 349 HG13 ILE 49 2HG1 ILE 49 1.547 -11.947 -0.732 350 HG21 ILE 49 1HG2 ILE 49 3.818 -10.127 1.535 351 HG22 ILE 49 2HG2 ILE 49 3.751 -8.591 0.672 352 HG23 ILE 49 3HG2 ILE 49 2.361 -9.137 1.610 353 HD11 ILE 49 3HD1 ILE 49 2.600 -12.353 1.964 354 HD12 ILE 49 1HD1 ILE 49 2.575 -13.437 0.574 355 HD13 ILE 49 2HD1 ILE 49 3.829 -12.204 0.709 356 H CYS 50 H CYS 50 1.408 -6.938 -0.004 357 HA CYS 50 HA CYS 50 2.430 -5.256 -1.938 358 HB2 CYS 50 1HB CYS 50 2.565 -3.569 -0.253 359 HB3 CYS 50 2HB CYS 50 1.194 -4.594 0.161 360 HA PRO 51 HA PRO 51 6.789 -5.766 -2.006 361 HB2 PRO 51 1HB PRO 51 7.601 -3.235 -2.557 362 HB3 PRO 51 2HB PRO 51 6.814 -4.273 -3.752 363 HG2 PRO 51 1HG PRO 51 5.641 -2.090 -2.073 364 HG3 PRO 51 2HG PRO 51 5.375 -2.447 -3.790 365 HD2 PRO 51 1HD PRO 51 3.619 -3.173 -1.860 366 HD3 PRO 51 2HD PRO 51 3.868 -4.131 -3.334 367 H ARG 52 H ARG 52 5.271 -3.750 0.299 368 HA ARG 52 HA ARG 52 7.659 -2.910 1.660 369 HB2 ARG 52 1HB ARG 52 4.793 -2.460 1.897 370 HB3 ARG 52 2HB ARG 52 5.557 -2.689 3.464 371 HG2 ARG 52 1HG ARG 52 6.877 -0.841 1.564 372 HG3 ARG 52 2HG ARG 52 5.366 -0.314 2.306 373 HD2 ARG 52 1HD ARG 52 7.465 -1.498 4.050 374 HD3 ARG 52 2HD ARG 52 7.705 0.141 3.447 375 HE ARG 52 HE ARG 52 5.120 -0.285 4.624 376 HH11 ARG 52 1HH1 ARG 52 8.447 0.530 5.246 377 HH12 ARG 52 2HH1 ARG 52 8.101 1.375 6.718 378 HH21 ARG 52 1HH2 ARG 52 4.652 0.826 6.560 379 HH22 ARG 52 2HH2 ARG 52 5.942 1.543 7.465 380 H CYS 53 H CYS 53 5.578 -5.668 1.728 381 HA CYS 53 HA CYS 53 6.497 -6.567 4.326 382 HB2 CYS 53 1HB CYS 53 4.556 -7.587 2.287 383 HB3 CYS 53 2HB CYS 53 5.177 -8.690 3.510 384 H GLN 54 H GLN 54 6.717 -7.742 0.969 385 HA GLN 54 HA GLN 54 8.362 -9.918 1.376 386 HB2 GLN 54 1HB GLN 54 8.475 -8.027 -0.979 387 HB3 GLN 54 2HB GLN 54 9.030 -9.696 -0.955 388 HG2 GLN 54 1HG GLN 54 6.446 -9.975 -0.163 389 HG3 GLN 54 2HG GLN 54 6.334 -8.609 -1.272 390 HE21 GLN 54 1HE2 GLN 54 5.796 -9.220 -3.229 391 HE22 GLN 54 2HE2 GLN 54 6.302 -10.666 -4.027 392 H ASP 55 H ASP 55 9.166 -6.526 1.355 393 HA ASP 55 HA ASP 55 11.833 -7.173 2.331 394 HB2 ASP 55 1HB ASP 55 11.291 -6.093 -0.321 395 HB3 ASP 55 2HB ASP 55 12.350 -5.046 0.621 396 H GLN 56 H GLN 56 11.503 -6.283 4.303 397 HA GLN 56 HA GLN 56 10.030 -3.985 4.876 398 HB2 GLN 56 1HB GLN 56 10.620 -5.527 6.629 399 HB3 GLN 56 2HB GLN 56 12.336 -5.250 6.360 400 HG2 GLN 56 1HG GLN 56 12.231 -3.077 7.261 401 HG3 GLN 56 2HG GLN 56 10.469 -3.064 7.219 402 HE21 GLN 56 1HE2 GLN 56 13.292 -4.259 8.861 403 HE22 GLN 56 2HE2 GLN 56 12.485 -4.777 10.298 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.233 11.269 20.570 2 HA2 GLY 1 1HA GLY 1 -11.192 10.847 22.096 3 HA3 GLY 1 2HA GLY 1 -11.535 9.631 20.874 4 H SER 2 H SER 2 -9.963 9.131 19.491 5 HA SER 2 HA SER 2 -8.074 11.028 18.511 6 HB2 SER 2 1HB SER 2 -6.098 9.613 19.499 7 HB3 SER 2 2HB SER 2 -6.841 10.881 20.474 8 HG SER 2 HG SER 2 -6.592 8.361 21.105 9 H SER 3 H SER 3 -7.988 7.544 19.273 10 HA SER 3 HA SER 3 -7.888 7.003 16.381 11 HB2 SER 3 1HB SER 3 -5.913 6.358 18.422 12 HB3 SER 3 2HB SER 3 -6.469 4.921 17.565 13 HG SER 3 HG SER 3 -4.730 5.856 16.469 14 H GLY 4 H GLY 4 -8.656 4.893 15.745 15 HA2 GLY 4 1HA GLY 4 -10.317 3.539 17.764 16 HA3 GLY 4 2HA GLY 4 -11.041 4.057 16.249 17 H SER 5 H SER 5 -11.066 1.402 17.100 18 HA SER 5 HA SER 5 -8.977 0.027 15.607 19 HB2 SER 5 1HB SER 5 -9.455 -1.024 17.675 20 HB3 SER 5 2HB SER 5 -11.197 -0.912 17.421 21 HG SER 5 HG SER 5 -9.415 -2.805 16.558 22 H SER 6 H SER 6 -9.782 1.021 13.575 23 HA SER 6 HA SER 6 -12.293 0.028 12.536 24 HB2 SER 6 1HB SER 6 -10.135 1.825 11.452 25 HB3 SER 6 2HB SER 6 -11.419 1.213 10.410 26 HG SER 6 HG SER 6 -11.801 3.305 11.461 27 H GLY 7 H GLY 7 -8.963 -0.085 11.248 28 HA2 GLY 7 1HA GLY 7 -8.373 -2.658 11.033 29 HA3 GLY 7 2HA GLY 7 -9.638 -2.540 9.819 30 H HIS 8 H HIS 8 -8.928 -2.267 7.822 31 HA HIS 8 HA HIS 8 -6.205 -1.351 7.376 32 HB2 HIS 8 1HB HIS 8 -8.304 -2.562 5.581 33 HB3 HIS 8 2HB HIS 8 -6.785 -1.927 4.955 34 HD2 HIS 8 HD2 HIS 8 -5.248 -4.091 4.464 35 HE1 HIS 8 HE1 HIS 8 -6.120 -6.267 8.000 36 HE2 HIS 8 HE2 HIS 8 -4.712 -6.165 5.915 37 H GLU 9 H GLU 9 -5.675 0.329 5.883 38 HA GLU 9 HA GLU 9 -7.170 2.683 6.233 39 HB2 GLU 9 1HB GLU 9 -5.161 2.233 4.031 40 HB3 GLU 9 2HB GLU 9 -5.575 3.747 4.824 41 HG2 GLU 9 1HG GLU 9 -4.677 2.663 6.957 42 HG3 GLU 9 2HG GLU 9 -3.964 1.458 5.886 43 H ASP 10 H ASP 10 -7.383 4.008 3.904 44 HA ASP 10 HA ASP 10 -8.876 2.411 1.994 45 HB2 ASP 10 1HB ASP 10 -10.240 4.771 3.289 46 HB3 ASP 10 2HB ASP 10 -10.940 3.575 2.201 47 H PHE 11 H PHE 11 -6.447 4.124 2.101 48 HA PHE 11 HA PHE 11 -7.065 5.716 -0.260 49 HB2 PHE 11 1HB PHE 11 -5.525 6.942 2.028 50 HB3 PHE 11 2HB PHE 11 -6.098 7.737 0.565 51 HD1 PHE 11 HD1 PHE 11 -8.574 8.036 0.242 52 HD2 PHE 11 HD2 PHE 11 -6.863 6.820 3.945 53 HE1 PHE 11 HE1 PHE 11 -10.636 8.700 1.409 54 HE2 PHE 11 HE2 PHE 11 -8.923 7.481 5.117 55 HZ PHE 11 HZ PHE 11 -10.813 8.422 3.850 56 H CYS 12 H CYS 12 -5.389 5.878 -1.693 57 HA CYS 12 HA CYS 12 -3.402 3.960 -1.714 58 HB2 CYS 12 1HB CYS 12 -4.169 5.258 -3.693 59 HB3 CYS 12 2HB CYS 12 -3.286 6.654 -3.085 60 H SER 13 H SER 13 -1.322 3.825 -1.034 61 HA SER 13 HA SER 13 -0.439 5.869 0.857 62 HB2 SER 13 1HB SER 13 0.289 2.997 0.379 63 HB3 SER 13 2HB SER 13 1.394 4.048 1.266 64 HG SER 13 HG SER 13 0.031 3.088 2.740 65 H VAL 14 H VAL 14 -0.326 6.565 -1.874 66 HA VAL 14 HA VAL 14 2.517 7.132 -2.096 67 HB VAL 14 HB VAL 14 1.002 5.805 -4.348 68 HG11 VAL 14 1HG1 VAL 14 2.401 6.935 -5.667 69 HG12 VAL 14 2HG1 VAL 14 3.375 7.482 -4.301 70 HG13 VAL 14 3HG1 VAL 14 3.675 5.900 -5.023 71 HG21 VAL 14 3HG2 VAL 14 3.337 4.844 -2.696 72 HG22 VAL 14 1HG2 VAL 14 1.690 4.213 -2.648 73 HG23 VAL 14 2HG2 VAL 14 2.670 4.014 -4.101 74 H CYS 15 H CYS 15 -0.683 7.485 -3.595 75 HA CYS 15 HA CYS 15 0.025 10.268 -4.257 76 HB2 CYS 15 1HB CYS 15 -1.561 10.160 -6.091 77 HB3 CYS 15 2HB CYS 15 -0.410 8.836 -6.234 78 H ARG 16 H ARG 16 -2.155 8.168 -2.608 79 HA ARG 16 HA ARG 16 -3.902 8.540 -1.201 80 HB2 ARG 16 1HB ARG 16 -2.924 11.401 -1.213 81 HB3 ARG 16 2HB ARG 16 -3.992 10.672 -0.022 82 HG2 ARG 16 1HG ARG 16 -1.441 9.276 -0.381 83 HG3 ARG 16 2HG ARG 16 -1.307 10.920 0.247 84 HD2 ARG 16 1HD ARG 16 -2.679 10.423 2.107 85 HD3 ARG 16 2HD ARG 16 -3.209 8.897 1.399 86 HE ARG 16 HE ARG 16 -0.399 8.912 1.777 87 HH11 ARG 16 1HH1 ARG 16 -3.411 8.615 3.497 88 HH12 ARG 16 2HH1 ARG 16 -2.737 7.659 4.776 89 HH21 ARG 16 1HH2 ARG 16 0.500 7.654 3.454 90 HH22 ARG 16 2HH2 ARG 16 -0.512 7.114 4.751 91 H LYS 17 H LYS 17 -5.360 8.089 -2.945 92 HA LYS 17 HA LYS 17 -7.030 10.400 -3.595 93 HB2 LYS 17 1HB LYS 17 -5.709 8.571 -5.568 94 HB3 LYS 17 2HB LYS 17 -7.277 9.272 -5.946 95 HG2 LYS 17 1HG LYS 17 -4.941 10.958 -5.109 96 HG3 LYS 17 2HG LYS 17 -5.216 10.493 -6.789 97 HD2 LYS 17 1HD LYS 17 -7.461 11.516 -6.671 98 HD3 LYS 17 2HD LYS 17 -7.114 12.036 -5.020 99 HE2 LYS 17 1HE LYS 17 -5.018 12.817 -6.858 100 HE3 LYS 17 2HE LYS 17 -6.588 13.441 -7.359 101 HZ1 LYS 17 3HZ LYS 17 -6.772 14.137 -4.896 102 HZ2 LYS 17 1HZ LYS 17 -5.824 15.068 -5.943 103 HZ3 LYS 17 2HZ LYS 17 -5.088 13.975 -4.883 104 H SER 18 H SER 18 -9.205 9.844 -4.182 105 HA SER 18 HA SER 18 -10.176 7.571 -2.727 106 HB2 SER 18 1HB SER 18 -12.157 8.660 -2.735 107 HB3 SER 18 2HB SER 18 -11.231 10.021 -3.369 108 HG SER 18 HG SER 18 -12.290 9.826 -5.162 109 H GLY 19 H GLY 19 -11.239 5.758 -3.518 110 HA2 GLY 19 1HA GLY 19 -12.249 4.893 -5.735 111 HA3 GLY 19 2HA GLY 19 -10.609 5.127 -6.321 112 H GLN 20 H GLN 20 -11.469 2.684 -6.651 113 HA GLN 20 HA GLN 20 -11.296 0.894 -4.504 114 HB2 GLN 20 1HB GLN 20 -12.158 0.482 -6.884 115 HB3 GLN 20 2HB GLN 20 -10.476 0.212 -7.319 116 HG2 GLN 20 1HG GLN 20 -11.721 -1.866 -6.861 117 HG3 GLN 20 2HG GLN 20 -10.320 -1.643 -5.814 118 HE21 GLN 20 1HE2 GLN 20 -13.761 -0.761 -5.859 119 HE22 GLN 20 2HE2 GLN 20 -14.065 -1.184 -4.212 120 H LEU 21 H LEU 21 -9.641 -0.015 -3.440 121 HA LEU 21 HA LEU 21 -6.924 0.366 -4.501 122 HB2 LEU 21 1HB LEU 21 -8.069 1.238 -1.942 123 HB3 LEU 21 2HB LEU 21 -6.524 0.400 -1.812 124 HG LEU 21 HG LEU 21 -6.657 2.563 -3.818 125 HD11 LEU 21 1HD1 LEU 21 -6.370 3.346 -0.945 126 HD12 LEU 21 2HD1 LEU 21 -7.957 3.312 -1.713 127 HD13 LEU 21 3HD1 LEU 21 -6.689 4.357 -2.354 128 HD21 LEU 21 3HD2 LEU 21 -4.677 1.057 -2.878 129 HD22 LEU 21 1HD2 LEU 21 -4.600 2.361 -1.693 130 HD23 LEU 21 2HD2 LEU 21 -4.427 2.720 -3.411 131 H LEU 22 H LEU 22 -5.400 -1.229 -3.938 132 HA LEU 22 HA LEU 22 -6.545 -3.840 -3.545 133 HB2 LEU 22 1HB LEU 22 -4.502 -3.042 -5.015 134 HB3 LEU 22 2HB LEU 22 -3.605 -3.378 -3.536 135 HG LEU 22 HG LEU 22 -4.397 -5.701 -3.595 136 HD11 LEU 22 1HD1 LEU 22 -5.411 -6.425 -5.838 137 HD12 LEU 22 2HD1 LEU 22 -5.847 -4.728 -6.030 138 HD13 LEU 22 3HD1 LEU 22 -6.468 -5.647 -4.660 139 HD21 LEU 22 3HD2 LEU 22 -3.353 -5.515 -6.308 140 HD22 LEU 22 1HD2 LEU 22 -2.659 -6.272 -4.874 141 HD23 LEU 22 2HD2 LEU 22 -2.448 -4.542 -5.148 142 H MET 23 H MET 23 -5.948 -5.330 -1.899 143 HA MET 23 HA MET 23 -4.997 -4.047 0.578 144 HB2 MET 23 1HB MET 23 -7.017 -6.283 0.339 145 HB3 MET 23 2HB MET 23 -6.471 -5.536 1.834 146 HG2 MET 23 1HG MET 23 -7.405 -3.471 0.146 147 HG3 MET 23 2HG MET 23 -8.602 -4.764 0.125 148 HE1 MET 23 3HE MET 23 -9.975 -2.889 0.762 149 HE2 MET 23 1HE MET 23 -10.761 -3.718 2.106 150 HE3 MET 23 2HE MET 23 -10.072 -2.112 2.343 151 H CYS 24 H CYS 24 -3.384 -5.022 1.669 152 HA CYS 24 HA CYS 24 -2.013 -7.210 0.402 153 HB2 CYS 24 1HB CYS 24 -0.767 -5.350 1.418 154 HB3 CYS 24 2HB CYS 24 -1.424 -5.769 2.997 155 H ASP 25 H ASP 25 -1.666 -9.267 1.213 156 HA ASP 25 HA ASP 25 -3.688 -10.182 3.115 157 HB2 ASP 25 1HB ASP 25 -2.946 -11.224 0.731 158 HB3 ASP 25 2HB ASP 25 -1.907 -12.150 1.809 159 H THR 26 H THR 26 -1.639 -8.725 4.275 160 HA THR 26 HA THR 26 -0.629 -10.644 6.163 161 HB THR 26 HB THR 26 1.678 -9.109 5.412 162 HG1 THR 26 HG1 THR 26 1.840 -9.494 3.317 163 HG21 THR 26 3HG2 THR 26 1.047 -12.060 5.402 164 HG22 THR 26 1HG2 THR 26 1.813 -11.142 6.697 165 HG23 THR 26 2HG2 THR 26 2.660 -11.387 5.170 166 H CYS 27 H CYS 27 0.338 -7.382 5.084 167 HA CYS 27 HA CYS 27 0.151 -6.440 7.834 168 HB2 CYS 27 1HB CYS 27 1.300 -4.467 7.071 169 HB3 CYS 27 2HB CYS 27 2.119 -5.873 6.399 170 H SER 28 H SER 28 -0.507 -3.824 7.570 171 HA SER 28 HA SER 28 -3.265 -3.919 6.534 172 HB2 SER 28 1HB SER 28 -2.215 -2.427 8.952 173 HB3 SER 28 2HB SER 28 -3.869 -2.344 8.345 174 HG SER 28 HG SER 28 -2.523 -4.525 9.525 175 H ARG 29 H ARG 29 -2.053 -3.163 4.548 176 HA ARG 29 HA ARG 29 -2.183 -0.251 4.469 177 HB2 ARG 29 1HB ARG 29 0.180 -1.684 3.264 178 HB3 ARG 29 2HB ARG 29 -0.051 0.048 3.462 179 HG2 ARG 29 1HG ARG 29 0.078 -0.244 5.907 180 HG3 ARG 29 2HG ARG 29 0.399 -1.961 5.658 181 HD2 ARG 29 1HD ARG 29 2.473 -1.532 4.634 182 HD3 ARG 29 2HD ARG 29 2.094 0.173 4.399 183 HE ARG 29 HE ARG 29 3.133 -1.066 6.784 184 HH11 ARG 29 1HH1 ARG 29 1.443 1.674 5.459 185 HH12 ARG 29 2HH1 ARG 29 1.862 2.731 6.766 186 HH21 ARG 29 1HH2 ARG 29 3.692 0.316 8.511 187 HH22 ARG 29 2HH2 ARG 29 3.143 1.957 8.501 188 H VAL 30 H VAL 30 -2.768 0.580 2.481 189 HA VAL 30 HA VAL 30 -3.529 -1.423 0.459 190 HB VAL 30 HB VAL 30 -5.183 0.291 -0.323 191 HG11 VAL 30 1HG1 VAL 30 -6.825 -0.304 1.257 192 HG12 VAL 30 2HG1 VAL 30 -5.665 -1.634 1.266 193 HG13 VAL 30 3HG1 VAL 30 -5.642 -0.433 2.558 194 HG21 VAL 30 3HG2 VAL 30 -4.421 1.668 2.252 195 HG22 VAL 30 1HG2 VAL 30 -4.123 2.270 0.621 196 HG23 VAL 30 2HG2 VAL 30 -5.777 2.108 1.213 197 H TYR 31 H TYR 31 -3.222 -0.945 -1.743 198 HA TYR 31 HA TYR 31 -1.711 1.436 -2.455 199 HB2 TYR 31 1HB TYR 31 -0.620 -1.323 -3.043 200 HB3 TYR 31 2HB TYR 31 0.117 0.215 -3.481 201 HD1 TYR 31 HD2 TYR 31 1.039 1.687 -1.690 202 HD2 TYR 31 HD1 TYR 31 -0.318 -2.263 -0.882 203 HE1 TYR 31 HE2 TYR 31 2.279 1.702 0.435 204 HE2 TYR 31 HE1 TYR 31 0.917 -2.259 1.246 205 HH TYR 31 HH TYR 31 2.957 0.483 2.179 206 H HIS 32 H HIS 32 -2.184 2.137 -4.456 207 HA HIS 32 HA HIS 32 -4.338 1.099 -5.889 208 HB2 HIS 32 1HB HIS 32 -2.225 3.124 -6.436 209 HB3 HIS 32 2HB HIS 32 -3.164 2.538 -7.806 210 HD2 HIS 32 HD2 HIS 32 -6.019 2.431 -5.907 211 HE1 HIS 32 HE1 HIS 32 -5.414 6.630 -5.960 212 HE2 HIS 32 HE2 HIS 32 -7.032 4.767 -5.453 213 H LEU 33 H LEU 33 -3.973 0.729 -8.429 214 HA LEU 33 HA LEU 33 -2.416 -1.725 -8.575 215 HB2 LEU 33 1HB LEU 33 -4.549 -0.471 -10.252 216 HB3 LEU 33 2HB LEU 33 -3.530 -1.740 -10.928 217 HG LEU 33 HG LEU 33 -5.298 -2.017 -8.498 218 HD11 LEU 33 1HD1 LEU 33 -5.739 -3.528 -11.013 219 HD12 LEU 33 2HD1 LEU 33 -6.234 -1.837 -10.969 220 HD13 LEU 33 3HD1 LEU 33 -6.896 -2.978 -9.800 221 HD21 LEU 33 3HD2 LEU 33 -3.855 -3.675 -8.036 222 HD22 LEU 33 1HD2 LEU 33 -3.180 -3.680 -9.665 223 HD23 LEU 33 2HD2 LEU 33 -4.690 -4.528 -9.335 224 H ASP 34 H ASP 34 -2.325 1.542 -9.711 225 HA ASP 34 HA ASP 34 -0.156 0.909 -11.583 226 HB2 ASP 34 1HB ASP 34 -1.970 3.282 -11.248 227 HB3 ASP 34 2HB ASP 34 -0.461 3.423 -12.146 228 H CYS 35 H CYS 35 -0.773 2.234 -8.488 229 HA CYS 35 HA CYS 35 1.828 3.574 -8.388 230 HB2 CYS 35 1HB CYS 35 -0.271 3.487 -6.219 231 HB3 CYS 35 2HB CYS 35 1.083 4.603 -6.360 232 H LEU 36 H LEU 36 2.432 1.078 -8.654 233 HA LEU 36 HA LEU 36 2.961 0.069 -5.937 234 HB2 LEU 36 1HB LEU 36 2.270 -1.382 -8.463 235 HB3 LEU 36 2HB LEU 36 3.177 -2.187 -7.185 236 HG LEU 36 HG LEU 36 0.407 -1.018 -6.922 237 HD11 LEU 36 1HD1 LEU 36 0.429 -3.763 -6.382 238 HD12 LEU 36 2HD1 LEU 36 1.359 -3.557 -7.866 239 HD13 LEU 36 3HD1 LEU 36 -0.292 -2.945 -7.768 240 HD21 LEU 36 3HD2 LEU 36 0.559 -2.418 -4.749 241 HD22 LEU 36 1HD2 LEU 36 1.304 -0.819 -4.796 242 HD23 LEU 36 2HD2 LEU 36 2.303 -2.262 -4.969 243 H ASP 37 H ASP 37 4.845 -1.714 -6.224 244 HA ASP 37 HA ASP 37 6.929 -0.767 -8.016 245 HB2 ASP 37 1HB ASP 37 6.881 -0.213 -5.124 246 HB3 ASP 37 2HB ASP 37 8.387 -0.916 -5.710 247 HA PRO 38 HA PRO 38 7.517 -1.661 -9.563 248 HB2 PRO 38 1HB PRO 38 6.755 -3.543 -11.365 249 HB3 PRO 38 2HB PRO 38 8.424 -3.362 -10.813 250 HG2 PRO 38 1HG PRO 38 6.334 -5.310 -9.919 251 HG3 PRO 38 2HG PRO 38 8.052 -5.589 -10.257 252 HD2 PRO 38 1HD PRO 38 7.089 -5.308 -7.742 253 HD3 PRO 38 2HD PRO 38 8.717 -4.774 -8.206 254 HA PRO 39 HA PRO 39 3.258 -0.674 -10.025 255 HB2 PRO 39 1HB PRO 39 3.067 -0.033 -12.656 256 HB3 PRO 39 2HB PRO 39 3.888 0.994 -11.474 257 HG2 PRO 39 1HG PRO 39 5.054 -0.959 -13.421 258 HG3 PRO 39 2HG PRO 39 5.614 0.669 -12.998 259 HD2 PRO 39 1HD PRO 39 6.746 -1.570 -11.981 260 HD3 PRO 39 2HD PRO 39 6.648 -0.051 -11.068 261 H LEU 40 H LEU 40 1.238 -1.407 -10.775 262 HA LEU 40 HA LEU 40 1.320 -3.978 -12.213 263 HB2 LEU 40 1HB LEU 40 -0.009 -3.154 -9.735 264 HB3 LEU 40 2HB LEU 40 -1.055 -4.012 -10.865 265 HG LEU 40 HG LEU 40 1.537 -5.047 -9.716 266 HD11 LEU 40 1HD1 LEU 40 -0.954 -6.480 -9.192 267 HD12 LEU 40 2HD1 LEU 40 -0.886 -4.874 -8.468 268 HD13 LEU 40 3HD1 LEU 40 0.368 -6.059 -8.103 269 HD21 LEU 40 3HD2 LEU 40 -0.375 -6.123 -11.755 270 HD22 LEU 40 1HD2 LEU 40 0.573 -7.211 -10.742 271 HD23 LEU 40 2HD2 LEU 40 1.388 -6.059 -11.801 272 H LYS 41 H LYS 41 -1.090 -4.478 -12.982 273 HA LYS 41 HA LYS 41 -2.264 -2.068 -14.167 274 HB2 LYS 41 1HB LYS 41 -0.829 -2.868 -15.909 275 HB3 LYS 41 2HB LYS 41 -1.367 -4.526 -15.673 276 HG2 LYS 41 1HG LYS 41 -3.606 -3.894 -16.460 277 HG3 LYS 41 2HG LYS 41 -3.028 -2.250 -16.738 278 HD2 LYS 41 1HD LYS 41 -1.171 -3.686 -18.096 279 HD3 LYS 41 2HD LYS 41 -2.598 -4.702 -18.307 280 HE2 LYS 41 1HE LYS 41 -3.597 -3.221 -19.669 281 HE3 LYS 41 2HE LYS 41 -3.084 -1.840 -18.702 282 HZ1 LYS 41 3HZ LYS 41 -1.704 -1.427 -20.385 283 HZ2 LYS 41 1HZ LYS 41 -1.888 -2.969 -21.056 284 HZ3 LYS 41 2HZ LYS 41 -0.772 -2.716 -19.810 285 H THR 42 H THR 42 -2.754 -5.576 -14.545 286 HA THR 42 HA THR 42 -5.602 -5.193 -14.036 287 HB THR 42 HB THR 42 -5.941 -7.401 -14.910 288 HG1 THR 42 HG1 THR 42 -4.380 -8.867 -15.005 289 HG21 THR 42 3HG2 THR 42 -3.787 -6.166 -16.618 290 HG22 THR 42 1HG2 THR 42 -5.424 -5.521 -16.513 291 HG23 THR 42 2HG2 THR 42 -5.155 -7.146 -17.143 292 H ILE 43 H ILE 43 -6.418 -7.543 -13.012 293 HA ILE 43 HA ILE 43 -5.735 -7.294 -10.256 294 HB ILE 43 HB ILE 43 -7.351 -9.447 -11.626 295 HG12 ILE 43 1HG1 ILE 43 -8.308 -7.234 -11.995 296 HG13 ILE 43 2HG1 ILE 43 -9.304 -8.140 -10.861 297 HG21 ILE 43 1HG2 ILE 43 -6.393 -9.263 -8.975 298 HG22 ILE 43 2HG2 ILE 43 -8.128 -8.953 -8.930 299 HG23 ILE 43 3HG2 ILE 43 -7.517 -10.442 -9.651 300 HD11 ILE 43 3HD1 ILE 43 -7.355 -5.947 -10.210 301 HD12 ILE 43 1HD1 ILE 43 -9.113 -5.884 -10.102 302 HD13 ILE 43 2HD1 ILE 43 -8.199 -6.923 -9.008 303 HA PRO 44 HA PRO 44 -2.192 -10.020 -10.539 304 HB2 PRO 44 1HB PRO 44 -1.435 -9.701 -7.951 305 HB3 PRO 44 2HB PRO 44 -1.095 -8.503 -9.206 306 HG2 PRO 44 1HG PRO 44 -3.276 -8.532 -7.155 307 HG3 PRO 44 2HG PRO 44 -2.258 -7.181 -7.686 308 HD2 PRO 44 1HD PRO 44 -4.791 -7.534 -8.574 309 HD3 PRO 44 2HD PRO 44 -3.519 -6.812 -9.580 310 H LYS 45 H LYS 45 -3.558 -11.893 -10.817 311 HA LYS 45 HA LYS 45 -5.030 -13.192 -8.877 312 HB2 LYS 45 1HB LYS 45 -3.564 -14.083 -11.315 313 HB3 LYS 45 2HB LYS 45 -4.146 -15.319 -10.208 314 HG2 LYS 45 1HG LYS 45 -6.178 -15.161 -11.061 315 HG3 LYS 45 2HG LYS 45 -6.241 -13.444 -10.660 316 HD2 LYS 45 1HD LYS 45 -6.553 -13.458 -12.964 317 HD3 LYS 45 2HD LYS 45 -4.827 -13.128 -12.799 318 HE2 LYS 45 1HE LYS 45 -4.427 -15.587 -13.080 319 HE3 LYS 45 2HE LYS 45 -6.139 -15.758 -13.464 320 HZ1 LYS 45 3HZ LYS 45 -5.810 -14.201 -15.312 321 HZ2 LYS 45 1HZ LYS 45 -4.859 -15.591 -15.476 322 HZ3 LYS 45 2HZ LYS 45 -4.155 -14.140 -14.968 323 H GLY 46 H GLY 46 -4.502 -15.233 -7.726 324 HA2 GLY 46 1HA GLY 46 -3.198 -16.507 -6.314 325 HA3 GLY 46 2HA GLY 46 -1.778 -15.847 -7.111 326 H MET 47 H MET 47 -1.970 -16.322 -4.336 327 HA MET 47 HA MET 47 -2.695 -14.187 -2.743 328 HB2 MET 47 1HB MET 47 -1.908 -16.382 -1.904 329 HB3 MET 47 2HB MET 47 -0.269 -15.954 -2.376 330 HG2 MET 47 1HG MET 47 -0.243 -14.137 -0.790 331 HG3 MET 47 2HG MET 47 -1.927 -14.444 -0.371 332 HE1 MET 47 3HE MET 47 1.097 -15.425 2.256 333 HE2 MET 47 1HE MET 47 1.873 -15.663 0.690 334 HE3 MET 47 2HE MET 47 0.942 -14.197 0.999 335 H TRP 48 H TRP 48 -2.245 -12.134 -3.292 336 HA TRP 48 HA TRP 48 0.433 -11.429 -4.212 337 HB2 TRP 48 1HB TRP 48 -1.547 -10.531 -5.403 338 HB3 TRP 48 2HB TRP 48 -2.030 -9.693 -3.931 339 HD1 TRP 48 HD1 TRP 48 0.672 -9.608 -6.663 340 HE1 TRP 48 HE1 TRP 48 1.757 -7.274 -6.660 341 HE3 TRP 48 HE3 TRP 48 -1.588 -7.669 -2.508 342 HZ2 TRP 48 HZ2 TRP 48 1.668 -4.922 -5.101 343 HZ3 TRP 48 HZ3 TRP 48 -1.033 -5.370 -1.828 344 HH2 TRP 48 HH2 TRP 48 0.562 -4.027 -3.099 345 H ILE 49 H ILE 49 1.749 -9.908 -3.183 346 HA ILE 49 HA ILE 49 0.954 -9.029 -0.505 347 HB ILE 49 HB ILE 49 3.588 -10.400 -1.057 348 HG12 ILE 49 1HG1 ILE 49 1.198 -11.358 0.535 349 HG13 ILE 49 2HG1 ILE 49 1.697 -11.983 -1.033 350 HG21 ILE 49 1HG2 ILE 49 2.889 -10.123 1.712 351 HG22 ILE 49 2HG2 ILE 49 4.315 -9.540 0.856 352 HG23 ILE 49 3HG2 ILE 49 2.858 -8.549 0.918 353 HD11 ILE 49 3HD1 ILE 49 2.986 -13.451 -0.010 354 HD12 ILE 49 1HD1 ILE 49 3.935 -12.133 0.677 355 HD13 ILE 49 2HD1 ILE 49 2.546 -12.772 1.557 356 H CYS 50 H CYS 50 1.490 -6.977 -0.128 357 HA CYS 50 HA CYS 50 2.535 -5.284 -2.050 358 HB2 CYS 50 1HB CYS 50 2.620 -3.597 -0.361 359 HB3 CYS 50 2HB CYS 50 1.247 -4.630 0.020 360 HA PRO 51 HA PRO 51 6.897 -5.767 -2.016 361 HB2 PRO 51 1HB PRO 51 7.706 -3.231 -2.548 362 HB3 PRO 51 2HB PRO 51 6.954 -4.273 -3.761 363 HG2 PRO 51 1HG PRO 51 5.728 -2.098 -2.110 364 HG3 PRO 51 2HG PRO 51 5.504 -2.456 -3.832 365 HD2 PRO 51 1HD PRO 51 3.708 -3.194 -1.944 366 HD3 PRO 51 2HD PRO 51 3.998 -4.150 -3.412 367 H ARG 52 H ARG 52 5.309 -3.788 0.264 368 HA ARG 52 HA ARG 52 7.660 -2.923 1.678 369 HB2 ARG 52 1HB ARG 52 4.879 -2.324 1.726 370 HB3 ARG 52 2HB ARG 52 5.343 -2.841 3.342 371 HG2 ARG 52 1HG ARG 52 7.218 -0.959 2.132 372 HG3 ARG 52 2HG ARG 52 5.591 -0.311 2.350 373 HD2 ARG 52 1HD ARG 52 5.925 -1.506 4.730 374 HD3 ARG 52 2HD ARG 52 7.604 -1.121 4.357 375 HE ARG 52 HE ARG 52 5.552 0.711 5.113 376 HH11 ARG 52 1HH1 ARG 52 8.460 0.374 3.228 377 HH12 ARG 52 2HH1 ARG 52 8.864 2.057 3.311 378 HH21 ARG 52 1HH2 ARG 52 6.074 2.929 5.229 379 HH22 ARG 52 2HH2 ARG 52 7.507 3.509 4.450 380 H CYS 53 H CYS 53 5.594 -5.694 1.695 381 HA CYS 53 HA CYS 53 6.452 -6.592 4.313 382 HB2 CYS 53 1HB CYS 53 4.588 -7.634 2.212 383 HB3 CYS 53 2HB CYS 53 5.181 -8.726 3.459 384 H GLN 54 H GLN 54 6.790 -7.751 0.960 385 HA GLN 54 HA GLN 54 8.446 -9.911 1.411 386 HB2 GLN 54 1HB GLN 54 8.476 -7.993 -0.924 387 HB3 GLN 54 2HB GLN 54 9.261 -9.566 -0.910 388 HG2 GLN 54 1HG GLN 54 6.568 -9.947 -0.135 389 HG3 GLN 54 2HG GLN 54 6.578 -8.918 -1.566 390 HE21 GLN 54 1HE2 GLN 54 6.071 -10.197 -3.204 391 HE22 GLN 54 2HE2 GLN 54 6.832 -11.702 -3.581 392 H ASP 55 H ASP 55 9.214 -6.508 1.407 393 HA ASP 55 HA ASP 55 11.662 -6.925 2.777 394 HB2 ASP 55 1HB ASP 55 13.061 -5.794 0.915 395 HB3 ASP 55 2HB ASP 55 12.709 -7.514 0.770 396 H GLN 56 H GLN 56 12.608 -4.976 3.509 397 HA GLN 56 HA GLN 56 12.513 -2.861 4.343 398 HB2 GLN 56 1HB GLN 56 12.710 -2.606 1.686 399 HB3 GLN 56 2HB GLN 56 11.148 -1.830 1.913 400 HG2 GLN 56 1HG GLN 56 12.438 -0.526 3.793 401 HG3 GLN 56 2HG GLN 56 13.842 -0.979 2.828 402 HE21 GLN 56 1HE2 GLN 56 14.417 0.445 1.366 403 HE22 GLN 56 2HE2 GLN 56 13.381 1.583 0.582 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.870 -1.534 25.243 2 HA2 GLY 1 1HA GLY 1 -4.726 -2.639 25.946 3 HA3 GLY 1 2HA GLY 1 -6.032 -3.781 25.667 4 H SER 2 H SER 2 -5.852 -5.261 24.063 5 HA SER 2 HA SER 2 -3.727 -4.965 22.082 6 HB2 SER 2 1HB SER 2 -2.539 -6.167 23.756 7 HB3 SER 2 2HB SER 2 -3.914 -7.223 24.077 8 HG SER 2 HG SER 2 -3.327 -8.452 22.475 9 H SER 3 H SER 3 -3.927 -6.429 20.283 10 HA SER 3 HA SER 3 -5.999 -8.287 19.966 11 HB2 SER 3 1HB SER 3 -7.732 -6.802 19.882 12 HB3 SER 3 2HB SER 3 -6.696 -5.458 19.400 13 HG SER 3 HG SER 3 -7.691 -5.844 17.554 14 H GLY 4 H GLY 4 -4.500 -5.668 18.055 15 HA2 GLY 4 1HA GLY 4 -2.615 -7.024 16.676 16 HA3 GLY 4 2HA GLY 4 -4.086 -7.456 15.818 17 H SER 5 H SER 5 -5.414 -5.646 14.998 18 HA SER 5 HA SER 5 -4.040 -3.114 14.635 19 HB2 SER 5 1HB SER 5 -3.162 -4.554 12.812 20 HB3 SER 5 2HB SER 5 -4.813 -4.809 12.248 21 HG SER 5 HG SER 5 -3.250 -2.907 11.501 22 H SER 6 H SER 6 -5.403 -1.495 13.580 23 HA SER 6 HA SER 6 -8.208 -1.922 14.278 24 HB2 SER 6 1HB SER 6 -6.683 0.134 14.941 25 HB3 SER 6 2HB SER 6 -7.162 0.722 13.349 26 HG SER 6 HG SER 6 -8.567 1.353 15.119 27 H GLY 7 H GLY 7 -7.457 -3.296 12.010 28 HA2 GLY 7 1HA GLY 7 -8.530 -3.696 9.980 29 HA3 GLY 7 2HA GLY 7 -9.227 -2.085 10.059 30 H HIS 8 H HIS 8 -8.640 -2.180 7.720 31 HA HIS 8 HA HIS 8 -5.808 -1.490 7.300 32 HB2 HIS 8 1HB HIS 8 -7.867 -2.666 5.434 33 HB3 HIS 8 2HB HIS 8 -6.341 -1.998 4.862 34 HD2 HIS 8 HD2 HIS 8 -5.221 -4.403 4.103 35 HE1 HIS 8 HE1 HIS 8 -5.374 -6.240 7.924 36 HE2 HIS 8 HE2 HIS 8 -4.451 -6.378 5.585 37 H GLU 9 H GLU 9 -5.314 0.247 5.850 38 HA GLU 9 HA GLU 9 -6.858 2.557 6.285 39 HB2 GLU 9 1HB GLU 9 -4.816 2.194 4.093 40 HB3 GLU 9 2HB GLU 9 -5.297 3.696 4.870 41 HG2 GLU 9 1HG GLU 9 -4.334 2.879 6.984 42 HG3 GLU 9 2HG GLU 9 -3.789 1.426 6.147 43 H ASP 10 H ASP 10 -7.125 3.964 4.026 44 HA ASP 10 HA ASP 10 -8.615 2.386 2.082 45 HB2 ASP 10 1HB ASP 10 -9.848 4.570 3.765 46 HB3 ASP 10 2HB ASP 10 -10.559 3.997 2.259 47 H PHE 11 H PHE 11 -6.155 4.046 2.169 48 HA PHE 11 HA PHE 11 -6.766 5.668 -0.174 49 HB2 PHE 11 1HB PHE 11 -5.168 6.841 2.102 50 HB3 PHE 11 2HB PHE 11 -5.742 7.659 0.652 51 HD1 PHE 11 HD2 PHE 11 -8.152 8.156 0.391 52 HD2 PHE 11 HD1 PHE 11 -6.545 6.595 4.010 53 HE1 PHE 11 HE2 PHE 11 -10.182 8.858 1.591 54 HE2 PHE 11 HE1 PHE 11 -8.573 7.294 5.216 55 HZ PHE 11 HZ PHE 11 -10.394 8.428 4.007 56 H CYS 12 H CYS 12 -5.106 5.798 -1.628 57 HA CYS 12 HA CYS 12 -3.168 3.836 -1.695 58 HB2 CYS 12 1HB CYS 12 -3.925 5.191 -3.645 59 HB3 CYS 12 2HB CYS 12 -2.982 6.544 -3.029 60 H SER 13 H SER 13 -1.099 3.625 -1.015 61 HA SER 13 HA SER 13 -0.134 5.629 0.878 62 HB2 SER 13 1HB SER 13 -0.196 2.896 1.020 63 HB3 SER 13 2HB SER 13 1.467 3.186 0.510 64 HG SER 13 HG SER 13 1.900 3.948 2.419 65 H VAL 14 H VAL 14 -0.013 6.349 -1.839 66 HA VAL 14 HA VAL 14 2.848 6.808 -2.083 67 HB VAL 14 HB VAL 14 1.261 5.568 -4.336 68 HG11 VAL 14 1HG1 VAL 14 3.414 5.607 -5.552 69 HG12 VAL 14 2HG1 VAL 14 2.796 7.221 -5.196 70 HG13 VAL 14 3HG1 VAL 14 4.111 6.547 -4.233 71 HG21 VAL 14 3HG2 VAL 14 1.903 3.929 -2.660 72 HG22 VAL 14 1HG2 VAL 14 2.860 3.711 -4.126 73 HG23 VAL 14 2HG2 VAL 14 3.572 4.497 -2.717 74 H CYS 15 H CYS 15 -0.355 7.306 -3.534 75 HA CYS 15 HA CYS 15 0.458 10.065 -4.179 76 HB2 CYS 15 1HB CYS 15 -1.158 10.041 -5.990 77 HB3 CYS 15 2HB CYS 15 -0.062 8.674 -6.164 78 H ARG 16 H ARG 16 -1.813 8.029 -2.554 79 HA ARG 16 HA ARG 16 -3.501 8.463 -1.093 80 HB2 ARG 16 1HB ARG 16 -2.604 11.342 -1.111 81 HB3 ARG 16 2HB ARG 16 -3.448 10.482 0.170 82 HG2 ARG 16 1HG ARG 16 -1.256 8.974 0.049 83 HG3 ARG 16 2HG ARG 16 -0.579 10.493 -0.541 84 HD2 ARG 16 1HD ARG 16 -0.314 10.361 1.857 85 HD3 ARG 16 2HD ARG 16 -1.468 11.633 1.456 86 HE ARG 16 HE ARG 16 -2.841 9.220 1.945 87 HH11 ARG 16 1HH1 ARG 16 -1.068 11.716 3.602 88 HH12 ARG 16 2HH1 ARG 16 -1.914 11.505 5.099 89 HH21 ARG 16 1HH2 ARG 16 -3.962 8.932 3.910 90 HH22 ARG 16 2HH2 ARG 16 -3.560 9.920 5.273 91 H LYS 17 H LYS 17 -5.079 8.051 -2.687 92 HA LYS 17 HA LYS 17 -6.611 10.431 -3.431 93 HB2 LYS 17 1HB LYS 17 -5.313 8.545 -5.283 94 HB3 LYS 17 2HB LYS 17 -7.008 8.860 -5.630 95 HG2 LYS 17 1HG LYS 17 -4.949 11.023 -5.262 96 HG3 LYS 17 2HG LYS 17 -5.394 10.338 -6.827 97 HD2 LYS 17 1HD LYS 17 -7.787 11.029 -5.469 98 HD3 LYS 17 2HD LYS 17 -6.685 12.404 -5.354 99 HE2 LYS 17 1HE LYS 17 -6.330 12.189 -7.833 100 HE3 LYS 17 2HE LYS 17 -7.638 11.008 -7.848 101 HZ1 LYS 17 3HZ LYS 17 -8.669 13.006 -8.370 102 HZ2 LYS 17 1HZ LYS 17 -7.771 13.895 -7.245 103 HZ3 LYS 17 2HZ LYS 17 -8.984 12.841 -6.716 104 H SER 18 H SER 18 -8.759 9.556 -4.564 105 HA SER 18 HA SER 18 -9.840 7.556 -2.701 106 HB2 SER 18 1HB SER 18 -11.945 8.595 -2.899 107 HB3 SER 18 2HB SER 18 -10.807 9.941 -2.858 108 HG SER 18 HG SER 18 -11.436 10.475 -4.783 109 H GLY 19 H GLY 19 -11.179 5.882 -3.446 110 HA2 GLY 19 1HA GLY 19 -12.351 5.106 -5.598 111 HA3 GLY 19 2HA GLY 19 -10.735 5.212 -6.281 112 H GLN 20 H GLN 20 -10.979 2.948 -6.792 113 HA GLN 20 HA GLN 20 -11.177 1.036 -4.652 114 HB2 GLN 20 1HB GLN 20 -11.582 0.966 -7.399 115 HB3 GLN 20 2HB GLN 20 -10.133 -0.002 -7.163 116 HG2 GLN 20 1HG GLN 20 -11.896 -1.523 -7.047 117 HG3 GLN 20 2HG GLN 20 -11.439 -1.237 -5.369 118 HE21 GLN 20 1HE2 GLN 20 -13.618 0.095 -7.834 119 HE22 GLN 20 2HE2 GLN 20 -14.961 0.319 -6.770 120 H LEU 21 H LEU 21 -9.574 0.100 -3.544 121 HA LEU 21 HA LEU 21 -6.818 0.431 -4.518 122 HB2 LEU 21 1HB LEU 21 -8.021 1.300 -1.985 123 HB3 LEU 21 2HB LEU 21 -6.504 0.419 -1.816 124 HG LEU 21 HG LEU 21 -6.576 2.654 -3.768 125 HD11 LEU 21 1HD1 LEU 21 -6.136 3.288 -0.883 126 HD12 LEU 21 2HD1 LEU 21 -7.763 3.326 -1.560 127 HD13 LEU 21 3HD1 LEU 21 -6.506 4.369 -2.226 128 HD21 LEU 21 3HD2 LEU 21 -4.334 2.654 -3.473 129 HD22 LEU 21 1HD2 LEU 21 -4.638 1.005 -2.928 130 HD23 LEU 21 2HD2 LEU 21 -4.449 2.302 -1.748 131 H LEU 22 H LEU 22 -5.340 -1.197 -3.901 132 HA LEU 22 HA LEU 22 -6.576 -3.785 -3.545 133 HB2 LEU 22 1HB LEU 22 -4.576 -3.112 -5.076 134 HB3 LEU 22 2HB LEU 22 -3.621 -3.338 -3.613 135 HG LEU 22 HG LEU 22 -4.397 -5.671 -3.491 136 HD11 LEU 22 1HD1 LEU 22 -5.448 -6.561 -5.644 137 HD12 LEU 22 2HD1 LEU 22 -5.883 -4.884 -5.975 138 HD13 LEU 22 3HD1 LEU 22 -6.492 -5.683 -4.526 139 HD21 LEU 22 3HD2 LEU 22 -2.744 -6.377 -4.848 140 HD22 LEU 22 1HD2 LEU 22 -2.437 -4.651 -5.041 141 HD23 LEU 22 2HD2 LEU 22 -3.382 -5.519 -6.251 142 H MET 23 H MET 23 -5.955 -5.309 -1.921 143 HA MET 23 HA MET 23 -4.991 -4.044 0.559 144 HB2 MET 23 1HB MET 23 -6.926 -6.355 0.387 145 HB3 MET 23 2HB MET 23 -6.468 -5.456 1.827 146 HG2 MET 23 1HG MET 23 -7.531 -3.449 0.886 147 HG3 MET 23 2HG MET 23 -8.035 -4.396 -0.512 148 HE1 MET 23 3HE MET 23 -9.958 -4.057 3.536 149 HE2 MET 23 1HE MET 23 -8.394 -3.425 3.020 150 HE3 MET 23 2HE MET 23 -9.878 -2.805 2.296 151 H CYS 24 H CYS 24 -3.493 -5.122 1.779 152 HA CYS 24 HA CYS 24 -2.066 -7.261 0.439 153 HB2 CYS 24 1HB CYS 24 -0.820 -5.388 1.440 154 HB3 CYS 24 2HB CYS 24 -1.454 -5.817 3.026 155 H ASP 25 H ASP 25 -1.700 -9.312 1.264 156 HA ASP 25 HA ASP 25 -3.713 -10.227 3.175 157 HB2 ASP 25 1HB ASP 25 -2.926 -11.282 0.796 158 HB3 ASP 25 2HB ASP 25 -1.926 -12.208 1.912 159 H THR 26 H THR 26 -1.651 -8.739 4.303 160 HA THR 26 HA THR 26 -0.647 -10.625 6.227 161 HB THR 26 HB THR 26 1.665 -9.112 5.436 162 HG1 THR 26 HG1 THR 26 1.787 -9.506 3.349 163 HG21 THR 26 3HG2 THR 26 2.753 -11.149 5.677 164 HG22 THR 26 1HG2 THR 26 1.361 -12.076 5.120 165 HG23 THR 26 2HG2 THR 26 1.351 -11.348 6.727 166 H CYS 27 H CYS 27 0.322 -7.387 5.077 167 HA CYS 27 HA CYS 27 0.185 -6.388 7.804 168 HB2 CYS 27 1HB CYS 27 1.275 -4.410 6.962 169 HB3 CYS 27 2HB CYS 27 2.099 -5.820 6.302 170 H SER 28 H SER 28 -0.518 -3.784 7.504 171 HA SER 28 HA SER 28 -3.298 -3.929 6.533 172 HB2 SER 28 1HB SER 28 -3.796 -2.246 8.364 173 HB3 SER 28 2HB SER 28 -3.393 -3.870 8.920 174 HG SER 28 HG SER 28 -1.276 -3.125 9.331 175 H ARG 29 H ARG 29 -1.845 -3.160 4.596 176 HA ARG 29 HA ARG 29 -2.135 -0.246 4.496 177 HB2 ARG 29 1HB ARG 29 0.342 -1.814 3.809 178 HB3 ARG 29 2HB ARG 29 0.031 -0.226 3.119 179 HG2 ARG 29 1HG ARG 29 0.700 0.805 4.968 180 HG3 ARG 29 2HG ARG 29 -0.297 -0.228 5.993 181 HD2 ARG 29 1HD ARG 29 1.407 -1.945 5.978 182 HD3 ARG 29 2HD ARG 29 2.384 -1.003 4.852 183 HE ARG 29 HE ARG 29 3.181 0.178 6.628 184 HH11 ARG 29 1HH1 ARG 29 0.170 -1.308 7.549 185 HH12 ARG 29 2HH1 ARG 29 0.272 -0.796 9.201 186 HH21 ARG 29 1HH2 ARG 29 3.327 0.858 8.801 187 HH22 ARG 29 2HH2 ARG 29 2.067 0.437 9.912 188 H VAL 30 H VAL 30 -2.814 0.552 2.550 189 HA VAL 30 HA VAL 30 -3.488 -1.456 0.509 190 HB VAL 30 HB VAL 30 -5.159 0.190 -0.299 191 HG11 VAL 30 1HG1 VAL 30 -5.203 -1.128 2.324 192 HG12 VAL 30 2HG1 VAL 30 -6.428 0.123 2.100 193 HG13 VAL 30 3HG1 VAL 30 -6.338 -1.236 0.979 194 HG21 VAL 30 3HG2 VAL 30 -5.711 2.132 1.045 195 HG22 VAL 30 1HG2 VAL 30 -4.425 1.736 2.185 196 HG23 VAL 30 2HG2 VAL 30 -4.025 2.212 0.535 197 H TYR 31 H TYR 31 -3.149 -1.006 -1.692 198 HA TYR 31 HA TYR 31 -1.612 1.364 -2.400 199 HB2 TYR 31 1HB TYR 31 -0.564 -1.408 -2.998 200 HB3 TYR 31 2HB TYR 31 0.203 0.121 -3.411 201 HD1 TYR 31 HD2 TYR 31 1.258 1.493 -1.667 202 HD2 TYR 31 HD1 TYR 31 -0.420 -2.313 -0.773 203 HE1 TYR 31 HE2 TYR 31 2.479 1.463 0.468 204 HE2 TYR 31 HE1 TYR 31 0.794 -2.353 1.366 205 HH TYR 31 HH TYR 31 2.259 0.369 2.698 206 H HIS 32 H HIS 32 -2.050 2.070 -4.410 207 HA HIS 32 HA HIS 32 -4.221 1.080 -5.850 208 HB2 HIS 32 1HB HIS 32 -2.050 3.044 -6.406 209 HB3 HIS 32 2HB HIS 32 -3.020 2.486 -7.766 210 HD2 HIS 32 HD2 HIS 32 -5.841 2.469 -5.781 211 HE1 HIS 32 HE1 HIS 32 -5.138 6.650 -5.948 212 HE2 HIS 32 HE2 HIS 32 -6.784 4.839 -5.352 213 H LEU 33 H LEU 33 -3.854 0.693 -8.387 214 HA LEU 33 HA LEU 33 -2.345 -1.794 -8.518 215 HB2 LEU 33 1HB LEU 33 -4.465 -0.517 -10.192 216 HB3 LEU 33 2HB LEU 33 -3.467 -1.801 -10.870 217 HG LEU 33 HG LEU 33 -5.193 -2.066 -8.409 218 HD11 LEU 33 1HD1 LEU 33 -6.520 -1.762 -10.446 219 HD12 LEU 33 2HD1 LEU 33 -6.667 -3.398 -9.805 220 HD13 LEU 33 3HD1 LEU 33 -5.646 -3.090 -11.208 221 HD21 LEU 33 3HD2 LEU 33 -3.968 -3.876 -8.012 222 HD22 LEU 33 1HD2 LEU 33 -3.076 -3.674 -9.521 223 HD23 LEU 33 2HD2 LEU 33 -4.602 -4.560 -9.510 224 H ASP 34 H ASP 34 -2.193 1.465 -9.661 225 HA ASP 34 HA ASP 34 -0.047 0.784 -11.543 226 HB2 ASP 34 1HB ASP 34 -1.578 3.365 -11.158 227 HB3 ASP 34 2HB ASP 34 -0.304 3.117 -12.349 228 H CYS 35 H CYS 35 -0.628 2.137 -8.452 229 HA CYS 35 HA CYS 35 2.002 3.421 -8.368 230 HB2 CYS 35 1HB CYS 35 -0.093 3.401 -6.194 231 HB3 CYS 35 2HB CYS 35 1.284 4.486 -6.349 232 H LEU 36 H LEU 36 2.552 0.913 -8.613 233 HA LEU 36 HA LEU 36 3.060 -0.087 -5.888 234 HB2 LEU 36 1HB LEU 36 2.336 -1.542 -8.403 235 HB3 LEU 36 2HB LEU 36 3.226 -2.356 -7.119 236 HG LEU 36 HG LEU 36 0.482 -1.126 -6.865 237 HD11 LEU 36 1HD1 LEU 36 1.377 -3.692 -7.789 238 HD12 LEU 36 2HD1 LEU 36 -0.259 -3.044 -7.694 239 HD13 LEU 36 3HD1 LEU 36 0.445 -3.867 -6.302 240 HD21 LEU 36 3HD2 LEU 36 1.624 -0.943 -4.771 241 HD22 LEU 36 1HD2 LEU 36 2.217 -2.600 -4.891 242 HD23 LEU 36 2HD2 LEU 36 0.495 -2.294 -4.662 243 H ASP 37 H ASP 37 4.905 -1.912 -6.160 244 HA ASP 37 HA ASP 37 7.008 -1.026 -7.960 245 HB2 ASP 37 1HB ASP 37 7.234 0.403 -5.931 246 HB3 ASP 37 2HB ASP 37 7.446 -1.056 -4.968 247 HA PRO 38 HA PRO 38 7.578 -1.946 -9.499 248 HB2 PRO 38 1HB PRO 38 6.776 -3.827 -11.285 249 HB3 PRO 38 2HB PRO 38 8.449 -3.677 -10.734 250 HG2 PRO 38 1HG PRO 38 6.316 -5.572 -9.824 251 HG3 PRO 38 2HG PRO 38 8.028 -5.891 -10.158 252 HD2 PRO 38 1HD PRO 38 7.070 -5.567 -7.647 253 HD3 PRO 38 2HD PRO 38 8.710 -5.072 -8.114 254 HA PRO 39 HA PRO 39 3.340 -0.871 -9.971 255 HB2 PRO 39 1HB PRO 39 3.164 -0.249 -12.608 256 HB3 PRO 39 2HB PRO 39 4.007 0.770 -11.435 257 HG2 PRO 39 1HG PRO 39 5.131 -1.224 -13.364 258 HG3 PRO 39 2HG PRO 39 5.726 0.395 -12.955 259 HD2 PRO 39 1HD PRO 39 6.809 -1.859 -11.918 260 HD3 PRO 39 2HD PRO 39 6.744 -0.330 -11.018 261 H LEU 40 H LEU 40 1.306 -1.571 -10.710 262 HA LEU 40 HA LEU 40 1.334 -4.158 -12.122 263 HB2 LEU 40 1HB LEU 40 0.016 -3.272 -9.661 264 HB3 LEU 40 2HB LEU 40 -1.049 -4.114 -10.785 265 HG LEU 40 HG LEU 40 1.510 -5.205 -9.613 266 HD11 LEU 40 1HD1 LEU 40 -1.047 -6.540 -9.097 267 HD12 LEU 40 2HD1 LEU 40 -0.885 -4.948 -8.357 268 HD13 LEU 40 3HD1 LEU 40 0.303 -6.205 -8.012 269 HD21 LEU 40 3HD2 LEU 40 -0.461 -6.313 -11.593 270 HD22 LEU 40 1HD2 LEU 40 0.591 -7.350 -10.628 271 HD23 LEU 40 2HD2 LEU 40 1.292 -6.176 -11.742 272 H LYS 41 H LYS 41 -1.084 -4.610 -12.896 273 HA LYS 41 HA LYS 41 -2.204 -2.191 -14.111 274 HB2 LYS 41 1HB LYS 41 -0.642 -3.203 -15.747 275 HB3 LYS 41 2HB LYS 41 -1.556 -4.703 -15.665 276 HG2 LYS 41 1HG LYS 41 -3.516 -2.924 -16.264 277 HG3 LYS 41 2HG LYS 41 -2.133 -2.216 -17.101 278 HD2 LYS 41 1HD LYS 41 -2.004 -4.963 -17.624 279 HD3 LYS 41 2HD LYS 41 -3.706 -4.529 -17.793 280 HE2 LYS 41 1HE LYS 41 -2.919 -4.113 -19.915 281 HE3 LYS 41 2HE LYS 41 -2.761 -2.523 -19.170 282 HZ1 LYS 41 3HZ LYS 41 -0.408 -3.916 -18.657 283 HZ2 LYS 41 1HZ LYS 41 -0.620 -2.575 -19.668 284 HZ3 LYS 41 2HZ LYS 41 -0.754 -4.139 -20.298 285 H THR 42 H THR 42 -2.733 -5.698 -14.451 286 HA THR 42 HA THR 42 -5.585 -5.273 -13.992 287 HB THR 42 HB THR 42 -5.945 -7.474 -14.850 288 HG1 THR 42 HG1 THR 42 -4.036 -8.771 -15.410 289 HG21 THR 42 3HG2 THR 42 -5.368 -5.679 -16.491 290 HG22 THR 42 1HG2 THR 42 -5.022 -7.311 -17.062 291 HG23 THR 42 2HG2 THR 42 -3.710 -6.280 -16.490 292 H ILE 43 H ILE 43 -6.444 -7.594 -12.941 293 HA ILE 43 HA ILE 43 -5.800 -7.307 -10.180 294 HB ILE 43 HB ILE 43 -7.426 -9.456 -11.543 295 HG12 ILE 43 1HG1 ILE 43 -9.216 -7.868 -10.271 296 HG13 ILE 43 2HG1 ILE 43 -7.998 -6.675 -10.711 297 HG21 ILE 43 1HG2 ILE 43 -8.241 -8.944 -8.869 298 HG22 ILE 43 2HG2 ILE 43 -7.607 -10.435 -9.563 299 HG23 ILE 43 3HG2 ILE 43 -6.503 -9.244 -8.874 300 HD11 ILE 43 3HD1 ILE 43 -8.463 -6.817 -12.910 301 HD12 ILE 43 1HD1 ILE 43 -8.838 -8.539 -12.836 302 HD13 ILE 43 2HD1 ILE 43 -10.028 -7.353 -12.299 303 HA PRO 44 HA PRO 44 -2.287 -10.080 -10.361 304 HB2 PRO 44 1HB PRO 44 -1.566 -9.726 -7.768 305 HB3 PRO 44 2HB PRO 44 -1.192 -8.554 -9.038 306 HG2 PRO 44 1HG PRO 44 -3.404 -8.521 -7.020 307 HG3 PRO 44 2HG PRO 44 -2.361 -7.192 -7.560 308 HD2 PRO 44 1HD PRO 44 -4.885 -7.529 -8.480 309 HD3 PRO 44 2HD PRO 44 -3.589 -6.840 -9.478 310 H LYS 45 H LYS 45 -3.841 -11.871 -10.623 311 HA LYS 45 HA LYS 45 -5.254 -13.121 -8.609 312 HB2 LYS 45 1HB LYS 45 -4.250 -13.837 -11.239 313 HB3 LYS 45 2HB LYS 45 -4.247 -15.217 -10.149 314 HG2 LYS 45 1HG LYS 45 -6.663 -14.547 -9.610 315 HG3 LYS 45 2HG LYS 45 -6.562 -13.556 -11.067 316 HD2 LYS 45 1HD LYS 45 -5.527 -16.135 -11.670 317 HD3 LYS 45 2HD LYS 45 -7.076 -16.341 -10.850 318 HE2 LYS 45 1HE LYS 45 -7.811 -14.426 -12.510 319 HE3 LYS 45 2HE LYS 45 -6.454 -15.038 -13.454 320 HZ1 LYS 45 3HZ LYS 45 -7.825 -17.274 -12.675 321 HZ2 LYS 45 1HZ LYS 45 -7.857 -16.564 -14.210 322 HZ3 LYS 45 2HZ LYS 45 -9.043 -16.169 -13.071 323 H GLY 46 H GLY 46 -4.777 -15.146 -7.456 324 HA2 GLY 46 1HA GLY 46 -3.440 -16.536 -6.181 325 HA3 GLY 46 2HA GLY 46 -2.038 -15.904 -7.032 326 H MET 47 H MET 47 -2.038 -16.435 -4.288 327 HA MET 47 HA MET 47 -2.638 -14.355 -2.578 328 HB2 MET 47 1HB MET 47 -1.828 -16.533 -1.811 329 HB3 MET 47 2HB MET 47 -0.238 -16.192 -2.480 330 HG2 MET 47 1HG MET 47 -0.052 -14.272 -0.926 331 HG3 MET 47 2HG MET 47 -1.585 -14.758 -0.205 332 HE1 MET 47 3HE MET 47 -0.714 -14.705 1.946 333 HE2 MET 47 1HE MET 47 0.143 -16.025 2.742 334 HE3 MET 47 2HE MET 47 1.050 -14.723 1.973 335 H TRP 48 H TRP 48 -2.226 -12.284 -3.097 336 HA TRP 48 HA TRP 48 0.411 -11.560 -4.133 337 HB2 TRP 48 1HB TRP 48 -1.594 -10.676 -5.281 338 HB3 TRP 48 2HB TRP 48 -2.070 -9.859 -3.795 339 HD1 TRP 48 HD1 TRP 48 0.599 -9.708 -6.559 340 HE1 TRP 48 HE1 TRP 48 1.637 -7.352 -6.556 341 HE3 TRP 48 HE3 TRP 48 -1.659 -7.831 -2.374 342 HZ2 TRP 48 HZ2 TRP 48 1.514 -5.009 -4.988 343 HZ3 TRP 48 HZ3 TRP 48 -1.145 -5.524 -1.691 344 HH2 TRP 48 HH2 TRP 48 0.410 -4.144 -2.971 345 H ILE 49 H ILE 49 1.737 -10.022 -3.142 346 HA ILE 49 HA ILE 49 1.005 -9.151 -0.444 347 HB ILE 49 HB ILE 49 3.635 -10.497 -1.069 348 HG12 ILE 49 1HG1 ILE 49 1.323 -11.471 0.623 349 HG13 ILE 49 2HG1 ILE 49 1.734 -12.081 -0.976 350 HG21 ILE 49 1HG2 ILE 49 3.960 -10.348 1.392 351 HG22 ILE 49 2HG2 ILE 49 3.919 -8.782 0.583 352 HG23 ILE 49 3HG2 ILE 49 2.510 -9.348 1.479 353 HD11 ILE 49 3HD1 ILE 49 4.047 -12.212 0.673 354 HD12 ILE 49 1HD1 ILE 49 2.689 -12.944 1.527 355 HD13 ILE 49 2HD1 ILE 49 3.139 -13.525 -0.077 356 H CYS 50 H CYS 50 1.476 -7.077 -0.131 357 HA CYS 50 HA CYS 50 2.490 -5.396 -2.076 358 HB2 CYS 50 1HB CYS 50 2.545 -3.682 -0.415 359 HB3 CYS 50 2HB CYS 50 1.191 -4.735 -0.016 360 HA PRO 51 HA PRO 51 6.861 -5.795 -2.040 361 HB2 PRO 51 1HB PRO 51 7.621 -3.252 -2.612 362 HB3 PRO 51 2HB PRO 51 6.888 -4.328 -3.808 363 HG2 PRO 51 1HG PRO 51 5.622 -2.150 -2.189 364 HG3 PRO 51 2HG PRO 51 5.403 -2.540 -3.905 365 HD2 PRO 51 1HD PRO 51 3.624 -3.282 -2.005 366 HD3 PRO 51 2HD PRO 51 3.930 -4.255 -3.457 367 H ARG 52 H ARG 52 5.234 -3.832 0.219 368 HA ARG 52 HA ARG 52 7.572 -2.896 1.615 369 HB2 ARG 52 1HB ARG 52 4.735 -2.421 1.707 370 HB3 ARG 52 2HB ARG 52 5.331 -2.771 3.324 371 HG2 ARG 52 1HG ARG 52 6.753 -0.790 1.599 372 HG3 ARG 52 2HG ARG 52 5.291 -0.329 2.474 373 HD2 ARG 52 1HD ARG 52 6.867 -1.705 4.327 374 HD3 ARG 52 2HD ARG 52 7.984 -0.665 3.444 375 HE ARG 52 HE ARG 52 6.032 0.154 5.343 376 HH11 ARG 52 1HH1 ARG 52 7.637 1.123 2.409 377 HH12 ARG 52 2HH1 ARG 52 7.437 2.818 2.705 378 HH21 ARG 52 1HH2 ARG 52 5.763 2.384 5.744 379 HH22 ARG 52 2HH2 ARG 52 6.372 3.534 4.603 380 H CYS 53 H CYS 53 5.553 -5.700 1.673 381 HA CYS 53 HA CYS 53 6.416 -6.543 4.307 382 HB2 CYS 53 1HB CYS 53 4.583 -7.650 2.213 383 HB3 CYS 53 2HB CYS 53 5.193 -8.715 3.475 384 H GLN 54 H GLN 54 6.785 -7.762 0.977 385 HA GLN 54 HA GLN 54 8.491 -9.872 1.479 386 HB2 GLN 54 1HB GLN 54 8.352 -8.013 -0.893 387 HB3 GLN 54 2HB GLN 54 9.352 -9.459 -0.864 388 HG2 GLN 54 1HG GLN 54 6.546 -9.882 -0.123 389 HG3 GLN 54 2HG GLN 54 6.812 -9.357 -1.785 390 HE21 GLN 54 1HE2 GLN 54 6.604 -11.109 -2.994 391 HE22 GLN 54 2HE2 GLN 54 7.410 -12.615 -2.736 392 H ASP 55 H ASP 55 9.175 -6.455 1.408 393 HA ASP 55 HA ASP 55 11.013 -5.246 1.987 394 HB2 ASP 55 1HB ASP 55 11.042 -7.507 3.659 395 HB3 ASP 55 2HB ASP 55 12.695 -7.322 3.079 396 H GLN 56 H GLN 56 13.512 -5.215 1.734 397 HA GLN 56 HA GLN 56 15.308 -5.285 0.340 398 HB2 GLN 56 1HB GLN 56 15.111 -7.749 0.876 399 HB3 GLN 56 2HB GLN 56 14.231 -7.930 -0.636 400 HG2 GLN 56 1HG GLN 56 16.563 -6.537 -1.290 401 HG3 GLN 56 2HG GLN 56 17.059 -7.805 -0.170 402 HE21 GLN 56 1HE2 GLN 56 16.053 -9.990 -0.669 403 HE22 GLN 56 2HE2 GLN 56 16.039 -10.462 -2.330 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -11.500 16.191 19.087 2 HA2 GLY 1 1HA GLY 1 -9.411 16.642 17.352 3 HA3 GLY 1 2HA GLY 1 -9.286 16.811 19.096 4 H SER 2 H SER 2 -9.729 14.051 19.722 5 HA SER 2 HA SER 2 -7.061 13.064 19.128 6 HB2 SER 2 1HB SER 2 -8.110 13.047 21.453 7 HB3 SER 2 2HB SER 2 -9.130 11.728 20.875 8 HG SER 2 HG SER 2 -6.996 11.248 21.962 9 H SER 3 H SER 3 -7.155 12.377 17.005 10 HA SER 3 HA SER 3 -9.223 10.731 15.969 11 HB2 SER 3 1HB SER 3 -6.632 11.778 15.027 12 HB3 SER 3 2HB SER 3 -7.112 10.240 14.311 13 HG SER 3 HG SER 3 -8.462 11.315 13.133 14 H GLY 4 H GLY 4 -9.552 8.620 16.204 15 HA2 GLY 4 1HA GLY 4 -7.301 6.819 16.626 16 HA3 GLY 4 2HA GLY 4 -8.471 6.912 17.933 17 H SER 5 H SER 5 -7.798 5.702 14.775 18 HA SER 5 HA SER 5 -10.275 4.127 14.892 19 HB2 SER 5 1HB SER 5 -10.555 4.367 12.457 20 HB3 SER 5 2HB SER 5 -10.629 5.932 13.266 21 HG SER 5 HG SER 5 -9.298 6.084 11.460 22 H SER 6 H SER 6 -10.180 2.201 13.426 23 HA SER 6 HA SER 6 -7.436 1.219 13.050 24 HB2 SER 6 1HB SER 6 -7.703 -0.596 14.387 25 HB3 SER 6 2HB SER 6 -8.948 0.388 15.155 26 HG SER 6 HG SER 6 -10.429 -0.888 14.373 27 H GLY 7 H GLY 7 -7.197 -0.427 11.461 28 HA2 GLY 7 1HA GLY 7 -8.837 -1.860 9.976 29 HA3 GLY 7 2HA GLY 7 -9.249 -0.257 9.384 30 H HIS 8 H HIS 8 -8.533 -1.230 7.319 31 HA HIS 8 HA HIS 8 -5.606 -1.294 7.052 32 HB2 HIS 8 1HB HIS 8 -7.838 -2.524 5.466 33 HB3 HIS 8 2HB HIS 8 -6.259 -2.272 4.727 34 HD2 HIS 8 HD2 HIS 8 -5.261 -4.802 4.700 35 HE1 HIS 8 HE1 HIS 8 -5.977 -5.734 8.777 36 HE2 HIS 8 HE2 HIS 8 -4.866 -6.468 6.639 37 H GLU 9 H GLU 9 -6.812 1.202 7.335 38 HA GLU 9 HA GLU 9 -6.991 3.261 6.375 39 HB2 GLU 9 1HB GLU 9 -5.112 2.216 4.264 40 HB3 GLU 9 2HB GLU 9 -5.270 3.864 4.853 41 HG2 GLU 9 1HG GLU 9 -4.624 2.563 7.137 42 HG3 GLU 9 2HG GLU 9 -3.753 1.605 5.941 43 H ASP 10 H ASP 10 -6.989 4.234 3.844 44 HA ASP 10 HA ASP 10 -8.612 2.674 2.073 45 HB2 ASP 10 1HB ASP 10 -10.065 3.795 4.057 46 HB3 ASP 10 2HB ASP 10 -10.064 5.119 2.896 47 H PHE 11 H PHE 11 -6.146 4.300 2.117 48 HA PHE 11 HA PHE 11 -6.719 5.860 -0.277 49 HB2 PHE 11 1HB PHE 11 -5.110 7.075 1.969 50 HB3 PHE 11 2HB PHE 11 -5.668 7.858 0.494 51 HD1 PHE 11 HD1 PHE 11 -8.144 8.223 0.187 52 HD2 PHE 11 HD2 PHE 11 -6.419 7.072 3.904 53 HE1 PHE 11 HE1 PHE 11 -10.166 8.993 1.360 54 HE2 PHE 11 HE2 PHE 11 -8.438 7.839 5.083 55 HZ PHE 11 HZ PHE 11 -10.315 8.800 3.811 56 H CYS 12 H CYS 12 -5.061 5.899 -1.732 57 HA CYS 12 HA CYS 12 -3.147 3.910 -1.715 58 HB2 CYS 12 1HB CYS 12 -3.885 5.174 -3.725 59 HB3 CYS 12 2HB CYS 12 -2.947 6.556 -3.168 60 H SER 13 H SER 13 -1.066 3.715 -1.053 61 HA SER 13 HA SER 13 -0.084 5.780 0.766 62 HB2 SER 13 1HB SER 13 0.528 2.868 0.369 63 HB3 SER 13 2HB SER 13 1.682 3.901 1.212 64 HG SER 13 HG SER 13 -0.271 2.734 2.331 65 H VAL 14 H VAL 14 0.025 6.385 -1.987 66 HA VAL 14 HA VAL 14 2.885 6.835 -2.256 67 HB VAL 14 HB VAL 14 1.294 5.499 -4.450 68 HG11 VAL 14 1HG1 VAL 14 3.977 6.804 -4.384 69 HG12 VAL 14 2HG1 VAL 14 3.712 5.415 -5.440 70 HG13 VAL 14 3HG1 VAL 14 2.726 6.867 -5.625 71 HG21 VAL 14 3HG2 VAL 14 2.895 3.653 -4.164 72 HG22 VAL 14 1HG2 VAL 14 3.606 4.500 -2.789 73 HG23 VAL 14 2HG2 VAL 14 1.938 3.932 -2.710 74 H CYS 15 H CYS 15 -0.322 7.271 -3.716 75 HA CYS 15 HA CYS 15 0.490 9.998 -4.485 76 HB2 CYS 15 1HB CYS 15 -1.127 9.898 -6.288 77 HB3 CYS 15 2HB CYS 15 -0.044 8.514 -6.401 78 H ARG 16 H ARG 16 -1.761 8.043 -2.745 79 HA ARG 16 HA ARG 16 -3.450 8.540 -1.306 80 HB2 ARG 16 1HB ARG 16 -1.759 10.946 -1.311 81 HB3 ARG 16 2HB ARG 16 -3.416 11.224 -0.791 82 HG2 ARG 16 1HG ARG 16 -3.199 9.895 1.073 83 HG3 ARG 16 2HG ARG 16 -1.876 8.956 0.379 84 HD2 ARG 16 1HD ARG 16 -0.372 10.842 0.626 85 HD3 ARG 16 2HD ARG 16 -1.692 11.842 1.232 86 HE ARG 16 HE ARG 16 -1.398 10.898 3.289 87 HH11 ARG 16 1HH1 ARG 16 0.098 8.859 0.895 88 HH12 ARG 16 2HH1 ARG 16 0.807 7.790 2.060 89 HH21 ARG 16 1HH2 ARG 16 -0.470 9.497 4.831 90 HH22 ARG 16 2HH2 ARG 16 0.483 8.154 4.298 91 H LYS 17 H LYS 17 -4.947 8.063 -3.016 92 HA LYS 17 HA LYS 17 -6.563 10.395 -3.721 93 HB2 LYS 17 1HB LYS 17 -5.101 8.681 -5.607 94 HB3 LYS 17 2HB LYS 17 -6.804 8.883 -5.994 95 HG2 LYS 17 1HG LYS 17 -6.434 11.368 -5.795 96 HG3 LYS 17 2HG LYS 17 -4.706 11.016 -5.725 97 HD2 LYS 17 1HD LYS 17 -4.654 10.220 -7.909 98 HD3 LYS 17 2HD LYS 17 -6.393 9.922 -7.945 99 HE2 LYS 17 1HE LYS 17 -6.664 12.445 -7.740 100 HE3 LYS 17 2HE LYS 17 -4.943 12.551 -8.105 101 HZ1 LYS 17 3HZ LYS 17 -5.868 12.736 -10.176 102 HZ2 LYS 17 1HZ LYS 17 -7.157 11.694 -9.834 103 HZ3 LYS 17 2HZ LYS 17 -5.612 11.065 -10.110 104 H SER 18 H SER 18 -8.765 9.929 -4.118 105 HA SER 18 HA SER 18 -9.741 7.670 -2.645 106 HB2 SER 18 1HB SER 18 -11.996 8.587 -3.299 107 HB3 SER 18 2HB SER 18 -10.957 9.732 -2.450 108 HG SER 18 HG SER 18 -10.838 9.676 -5.239 109 H GLY 19 H GLY 19 -10.898 5.906 -3.396 110 HA2 GLY 19 1HA GLY 19 -12.075 5.150 -5.590 111 HA3 GLY 19 2HA GLY 19 -10.445 5.285 -6.231 112 H GLN 20 H GLN 20 -11.001 2.955 -6.711 113 HA GLN 20 HA GLN 20 -11.078 1.077 -4.575 114 HB2 GLN 20 1HB GLN 20 -11.989 0.562 -6.791 115 HB3 GLN 20 2HB GLN 20 -10.380 0.678 -7.490 116 HG2 GLN 20 1HG GLN 20 -9.733 -1.342 -6.695 117 HG3 GLN 20 2HG GLN 20 -10.747 -1.227 -5.258 118 HE21 GLN 20 1HE2 GLN 20 -13.124 -1.354 -5.685 119 HE22 GLN 20 2HE2 GLN 20 -13.654 -2.494 -6.870 120 H LEU 21 H LEU 21 -9.477 0.099 -3.491 121 HA LEU 21 HA LEU 21 -6.722 0.435 -4.467 122 HB2 LEU 21 1HB LEU 21 -7.916 1.265 -1.915 123 HB3 LEU 21 2HB LEU 21 -6.395 0.386 -1.769 124 HG LEU 21 HG LEU 21 -6.451 2.627 -3.703 125 HD11 LEU 21 1HD1 LEU 21 -6.155 3.248 -0.788 126 HD12 LEU 21 2HD1 LEU 21 -7.725 3.340 -1.586 127 HD13 LEU 21 3HD1 LEU 21 -6.392 4.351 -2.144 128 HD21 LEU 21 3HD2 LEU 21 -4.220 2.652 -3.339 129 HD22 LEU 21 1HD2 LEU 21 -4.523 1.004 -2.786 130 HD23 LEU 21 2HD2 LEU 21 -4.384 2.316 -1.615 131 H LEU 22 H LEU 22 -5.255 -1.213 -3.900 132 HA LEU 22 HA LEU 22 -6.487 -3.801 -3.595 133 HB2 LEU 22 1HB LEU 22 -4.446 -3.080 -5.060 134 HB3 LEU 22 2HB LEU 22 -3.533 -3.368 -3.581 135 HG LEU 22 HG LEU 22 -4.306 -5.695 -3.564 136 HD11 LEU 22 1HD1 LEU 22 -5.276 -6.324 -5.976 137 HD12 LEU 22 2HD1 LEU 22 -5.966 -4.711 -5.801 138 HD13 LEU 22 3HD1 LEU 22 -6.303 -5.949 -4.592 139 HD21 LEU 22 3HD2 LEU 22 -2.798 -6.453 -5.141 140 HD22 LEU 22 1HD2 LEU 22 -2.260 -4.793 -4.885 141 HD23 LEU 22 2HD2 LEU 22 -3.223 -5.198 -6.306 142 H MET 23 H MET 23 -5.914 -5.354 -1.987 143 HA MET 23 HA MET 23 -5.034 -4.132 0.547 144 HB2 MET 23 1HB MET 23 -6.877 -6.507 0.260 145 HB3 MET 23 2HB MET 23 -6.499 -5.622 1.732 146 HG2 MET 23 1HG MET 23 -7.616 -3.643 0.814 147 HG3 MET 23 2HG MET 23 -8.019 -4.557 -0.637 148 HE1 MET 23 3HE MET 23 -10.481 -3.284 0.450 149 HE2 MET 23 1HE MET 23 -11.178 -3.895 1.951 150 HE3 MET 23 2HE MET 23 -9.663 -2.994 1.986 151 H CYS 24 H CYS 24 -3.625 -5.274 1.862 152 HA CYS 24 HA CYS 24 -2.098 -7.351 0.491 153 HB2 CYS 24 1HB CYS 24 -0.868 -5.443 1.428 154 HB3 CYS 24 2HB CYS 24 -1.495 -5.819 3.030 155 H ASP 25 H ASP 25 -1.697 -9.377 1.349 156 HA ASP 25 HA ASP 25 -3.658 -10.275 3.324 157 HB2 ASP 25 1HB ASP 25 -3.098 -11.375 0.973 158 HB3 ASP 25 2HB ASP 25 -1.841 -12.175 1.913 159 H THR 26 H THR 26 -1.633 -8.764 4.418 160 HA THR 26 HA THR 26 -0.530 -10.623 6.311 161 HB THR 26 HB THR 26 1.726 -9.055 5.469 162 HG1 THR 26 HG1 THR 26 0.983 -10.898 3.471 163 HG21 THR 26 3HG2 THR 26 1.185 -12.026 5.498 164 HG22 THR 26 1HG2 THR 26 1.889 -11.075 6.805 165 HG23 THR 26 2HG2 THR 26 2.774 -11.288 5.294 166 H CYS 27 H CYS 27 0.335 -7.363 5.140 167 HA CYS 27 HA CYS 27 0.184 -6.370 7.877 168 HB2 CYS 27 1HB CYS 27 1.304 -4.403 7.065 169 HB3 CYS 27 2HB CYS 27 2.126 -5.811 6.401 170 H SER 28 H SER 28 -0.509 -3.768 7.566 171 HA SER 28 HA SER 28 -3.273 -3.912 6.551 172 HB2 SER 28 1HB SER 28 -3.679 -2.102 8.364 173 HB3 SER 28 2HB SER 28 -3.530 -3.782 8.877 174 HG SER 28 HG SER 28 -2.148 -2.798 10.195 175 H ARG 29 H ARG 29 -1.706 -3.173 4.649 176 HA ARG 29 HA ARG 29 -1.943 -0.244 4.540 177 HB2 ARG 29 1HB ARG 29 0.338 -1.783 3.299 178 HB3 ARG 29 2HB ARG 29 0.160 -0.037 3.410 179 HG2 ARG 29 1HG ARG 29 0.040 -1.076 6.039 180 HG3 ARG 29 2HG ARG 29 1.419 -1.818 5.225 181 HD2 ARG 29 1HD ARG 29 2.478 0.203 4.891 182 HD3 ARG 29 2HD ARG 29 0.976 1.122 4.977 183 HE ARG 29 HE ARG 29 1.278 1.313 7.232 184 HH11 ARG 29 1HH1 ARG 29 3.258 -1.296 6.051 185 HH12 ARG 29 2HH1 ARG 29 4.056 -1.549 7.567 186 HH21 ARG 29 1HH2 ARG 29 2.322 0.989 9.233 187 HH22 ARG 29 2HH2 ARG 29 3.523 -0.250 9.377 188 H VAL 30 H VAL 30 -2.575 0.618 2.583 189 HA VAL 30 HA VAL 30 -3.501 -1.344 0.592 190 HB VAL 30 HB VAL 30 -5.026 0.535 -0.163 191 HG11 VAL 30 1HG1 VAL 30 -6.264 -1.022 0.917 192 HG12 VAL 30 2HG1 VAL 30 -5.218 -1.026 2.339 193 HG13 VAL 30 3HG1 VAL 30 -6.404 0.261 2.118 194 HG21 VAL 30 3HG2 VAL 30 -4.286 1.711 2.514 195 HG22 VAL 30 1HG2 VAL 30 -3.759 2.345 0.955 196 HG23 VAL 30 2HG2 VAL 30 -5.472 2.342 1.372 197 H TYR 31 H TYR 31 -3.077 -1.046 -1.575 198 HA TYR 31 HA TYR 31 -1.513 1.277 -2.399 199 HB2 TYR 31 1HB TYR 31 -0.556 -1.549 -2.896 200 HB3 TYR 31 2HB TYR 31 0.242 -0.065 -3.407 201 HD1 TYR 31 HD2 TYR 31 1.169 1.480 -1.638 202 HD2 TYR 31 HD1 TYR 31 -0.173 -2.459 -0.755 203 HE1 TYR 31 HE2 TYR 31 2.442 1.525 0.466 204 HE2 TYR 31 HE1 TYR 31 1.095 -2.425 1.353 205 HH TYR 31 HH TYR 31 2.512 -1.290 2.631 206 H HIS 32 H HIS 32 -2.001 1.940 -4.405 207 HA HIS 32 HA HIS 32 -4.208 0.937 -5.782 208 HB2 HIS 32 1HB HIS 32 -2.040 2.879 -6.404 209 HB3 HIS 32 2HB HIS 32 -3.003 2.283 -7.752 210 HD2 HIS 32 HD2 HIS 32 -5.846 2.312 -5.823 211 HE1 HIS 32 HE1 HIS 32 -5.127 6.488 -6.021 212 HE2 HIS 32 HE2 HIS 32 -6.790 4.689 -5.437 213 H LEU 33 H LEU 33 -3.892 0.485 -8.314 214 HA LEU 33 HA LEU 33 -2.413 -2.020 -8.413 215 HB2 LEU 33 1HB LEU 33 -4.583 -0.765 -10.019 216 HB3 LEU 33 2HB LEU 33 -3.571 -1.990 -10.782 217 HG LEU 33 HG LEU 33 -5.217 -2.393 -8.284 218 HD11 LEU 33 1HD1 LEU 33 -5.846 -2.592 -11.123 219 HD12 LEU 33 2HD1 LEU 33 -6.916 -2.555 -9.722 220 HD13 LEU 33 3HD1 LEU 33 -6.176 -4.074 -10.225 221 HD21 LEU 33 3HD2 LEU 33 -3.575 -3.960 -8.034 222 HD22 LEU 33 1HD2 LEU 33 -3.257 -4.067 -9.766 223 HD23 LEU 33 2HD2 LEU 33 -4.679 -4.853 -9.081 224 H ASP 34 H ASP 34 -2.243 1.209 -9.643 225 HA ASP 34 HA ASP 34 -0.129 0.458 -11.533 226 HB2 ASP 34 1HB ASP 34 -0.459 2.548 -12.601 227 HB3 ASP 34 2HB ASP 34 -2.073 1.942 -12.239 228 H CYS 35 H CYS 35 -0.667 1.941 -8.482 229 HA CYS 35 HA CYS 35 1.977 3.189 -8.460 230 HB2 CYS 35 1HB CYS 35 -0.077 3.215 -6.247 231 HB3 CYS 35 2HB CYS 35 1.298 4.295 -6.452 232 H LEU 36 H LEU 36 2.488 0.657 -8.669 233 HA LEU 36 HA LEU 36 3.052 -0.287 -5.935 234 HB2 LEU 36 1HB LEU 36 2.276 -1.786 -8.408 235 HB3 LEU 36 2HB LEU 36 3.183 -2.580 -7.122 236 HG LEU 36 HG LEU 36 0.492 -1.270 -6.750 237 HD11 LEU 36 1HD1 LEU 36 -0.336 -3.052 -7.797 238 HD12 LEU 36 2HD1 LEU 36 0.196 -3.989 -6.401 239 HD13 LEU 36 3HD1 LEU 36 1.229 -3.865 -7.825 240 HD21 LEU 36 3HD2 LEU 36 2.369 -2.775 -4.979 241 HD22 LEU 36 1HD2 LEU 36 0.630 -2.870 -4.700 242 HD23 LEU 36 2HD2 LEU 36 1.446 -1.307 -4.651 243 H ASP 37 H ASP 37 4.883 -2.125 -6.204 244 HA ASP 37 HA ASP 37 6.956 -1.287 -8.061 245 HB2 ASP 37 1HB ASP 37 6.915 -0.413 -5.326 246 HB3 ASP 37 2HB ASP 37 8.286 -1.491 -5.572 247 HA PRO 38 HA PRO 38 7.493 -2.241 -9.590 248 HB2 PRO 38 1HB PRO 38 6.650 -4.155 -11.321 249 HB3 PRO 38 2HB PRO 38 8.333 -4.002 -10.804 250 HG2 PRO 38 1HG PRO 38 6.209 -5.866 -9.816 251 HG3 PRO 38 2HG PRO 38 7.913 -6.201 -10.175 252 HD2 PRO 38 1HD PRO 38 7.004 -5.820 -7.654 253 HD3 PRO 38 2HD PRO 38 8.636 -5.344 -8.162 254 HA PRO 39 HA PRO 39 3.253 -1.156 -10.009 255 HB2 PRO 39 1HB PRO 39 3.029 -0.595 -12.656 256 HB3 PRO 39 2HB PRO 39 3.899 0.447 -11.524 257 HG2 PRO 39 1HG PRO 39 4.976 -1.598 -13.426 258 HG3 PRO 39 2HG PRO 39 5.587 0.028 -13.067 259 HD2 PRO 39 1HD PRO 39 6.679 -2.208 -11.998 260 HD3 PRO 39 2HD PRO 39 6.638 -0.658 -11.134 261 H LEU 40 H LEU 40 1.186 -1.756 -10.910 262 HA LEU 40 HA LEU 40 1.172 -4.376 -12.251 263 HB2 LEU 40 1HB LEU 40 -0.094 -3.537 -9.722 264 HB3 LEU 40 2HB LEU 40 -1.101 -4.493 -10.808 265 HG LEU 40 HG LEU 40 1.573 -5.332 -9.688 266 HD11 LEU 40 1HD1 LEU 40 0.508 -6.277 -7.977 267 HD12 LEU 40 2HD1 LEU 40 -0.756 -6.929 -9.019 268 HD13 LEU 40 3HD1 LEU 40 -0.875 -5.275 -8.418 269 HD21 LEU 40 3HD2 LEU 40 -0.350 -6.622 -11.595 270 HD22 LEU 40 1HD2 LEU 40 0.755 -7.579 -10.609 271 HD23 LEU 40 2HD2 LEU 40 1.393 -6.401 -11.756 272 H LYS 41 H LYS 41 -1.270 -4.843 -12.909 273 HA LYS 41 HA LYS 41 -2.481 -2.402 -13.993 274 HB2 LYS 41 1HB LYS 41 -1.157 -3.202 -15.820 275 HB3 LYS 41 2HB LYS 41 -1.705 -4.855 -15.571 276 HG2 LYS 41 1HG LYS 41 -3.485 -4.550 -16.860 277 HG3 LYS 41 2HG LYS 41 -3.922 -3.055 -16.031 278 HD2 LYS 41 1HD LYS 41 -2.629 -1.743 -17.460 279 HD3 LYS 41 2HD LYS 41 -1.659 -3.117 -17.997 280 HE2 LYS 41 1HE LYS 41 -3.645 -4.029 -19.142 281 HE3 LYS 41 2HE LYS 41 -4.560 -2.604 -18.652 282 HZ1 LYS 41 3HZ LYS 41 -2.510 -2.880 -20.705 283 HZ2 LYS 41 1HZ LYS 41 -2.515 -1.431 -19.830 284 HZ3 LYS 41 2HZ LYS 41 -3.896 -1.910 -20.682 285 H THR 42 H THR 42 -3.040 -5.899 -14.373 286 HA THR 42 HA THR 42 -5.851 -5.482 -13.705 287 HB THR 42 HB THR 42 -6.265 -7.683 -14.571 288 HG1 THR 42 HG1 THR 42 -4.752 -9.149 -14.466 289 HG21 THR 42 3HG2 THR 42 -4.201 -6.604 -16.460 290 HG22 THR 42 1HG2 THR 42 -5.689 -5.711 -16.147 291 HG23 THR 42 2HG2 THR 42 -5.763 -7.340 -16.821 292 H ILE 43 H ILE 43 -6.641 -7.830 -12.657 293 HA ILE 43 HA ILE 43 -5.807 -7.613 -9.941 294 HB ILE 43 HB ILE 43 -7.522 -9.736 -11.236 295 HG12 ILE 43 1HG1 ILE 43 -8.303 -7.200 -9.781 296 HG13 ILE 43 2HG1 ILE 43 -8.419 -7.457 -11.518 297 HG21 ILE 43 1HG2 ILE 43 -8.143 -9.244 -8.497 298 HG22 ILE 43 2HG2 ILE 43 -7.603 -10.739 -9.260 299 HG23 ILE 43 3HG2 ILE 43 -6.420 -9.587 -8.641 300 HD11 ILE 43 3HD1 ILE 43 -10.307 -8.072 -9.494 301 HD12 ILE 43 1HD1 ILE 43 -10.452 -8.266 -11.240 302 HD13 ILE 43 2HD1 ILE 43 -9.794 -9.576 -10.259 303 HA PRO 44 HA PRO 44 -2.319 -10.381 -10.437 304 HB2 PRO 44 1HB PRO 44 -1.418 -10.093 -7.893 305 HB3 PRO 44 2HB PRO 44 -1.132 -8.889 -9.155 306 HG2 PRO 44 1HG PRO 44 -3.198 -8.907 -6.988 307 HG3 PRO 44 2HG PRO 44 -2.193 -7.565 -7.565 308 HD2 PRO 44 1HD PRO 44 -4.775 -7.878 -8.315 309 HD3 PRO 44 2HD PRO 44 -3.551 -7.164 -9.384 310 H LYS 45 H LYS 45 -3.582 -12.287 -10.659 311 HA LYS 45 HA LYS 45 -5.046 -13.583 -8.709 312 HB2 LYS 45 1HB LYS 45 -4.847 -15.559 -10.016 313 HB3 LYS 45 2HB LYS 45 -4.841 -14.211 -11.146 314 HG2 LYS 45 1HG LYS 45 -2.194 -14.497 -10.728 315 HG3 LYS 45 2HG LYS 45 -2.736 -16.164 -10.513 316 HD2 LYS 45 1HD LYS 45 -4.090 -15.187 -12.772 317 HD3 LYS 45 2HD LYS 45 -2.416 -14.651 -12.935 318 HE2 LYS 45 1HE LYS 45 -1.624 -16.917 -12.669 319 HE3 LYS 45 2HE LYS 45 -3.262 -17.487 -12.352 320 HZ1 LYS 45 3HZ LYS 45 -1.990 -17.277 -14.808 321 HZ2 LYS 45 1HZ LYS 45 -3.198 -16.093 -14.802 322 HZ3 LYS 45 2HZ LYS 45 -3.598 -17.711 -14.515 323 H GLY 46 H GLY 46 -4.535 -15.478 -7.411 324 HA2 GLY 46 1HA GLY 46 -3.206 -16.745 -6.004 325 HA3 GLY 46 2HA GLY 46 -1.790 -16.090 -6.813 326 H MET 47 H MET 47 -1.949 -16.490 -4.038 327 HA MET 47 HA MET 47 -2.719 -14.342 -2.486 328 HB2 MET 47 1HB MET 47 -1.882 -16.470 -1.576 329 HB3 MET 47 2HB MET 47 -0.261 -16.065 -2.123 330 HG2 MET 47 1HG MET 47 -0.051 -14.326 -0.561 331 HG3 MET 47 2HG MET 47 -1.779 -14.322 -0.215 332 HE1 MET 47 3HE MET 47 0.881 -14.357 1.471 333 HE2 MET 47 1HE MET 47 -0.390 -14.514 2.684 334 HE3 MET 47 2HE MET 47 0.935 -15.677 2.640 335 H TRP 48 H TRP 48 -2.331 -12.288 -3.070 336 HA TRP 48 HA TRP 48 0.297 -11.522 -4.069 337 HB2 TRP 48 1HB TRP 48 -1.751 -10.670 -5.180 338 HB3 TRP 48 2HB TRP 48 -2.187 -9.836 -3.691 339 HD1 TRP 48 HD1 TRP 48 0.380 -9.704 -6.545 340 HE1 TRP 48 HE1 TRP 48 1.425 -7.352 -6.591 341 HE3 TRP 48 HE3 TRP 48 -1.706 -7.807 -2.281 342 HZ2 TRP 48 HZ2 TRP 48 1.372 -5.003 -5.026 343 HZ3 TRP 48 HZ3 TRP 48 -1.157 -5.500 -1.625 344 HH2 TRP 48 HH2 TRP 48 0.350 -4.129 -2.970 345 H ILE 49 H ILE 49 1.645 -10.024 -3.076 346 HA ILE 49 HA ILE 49 0.924 -9.126 -0.382 347 HB ILE 49 HB ILE 49 3.564 -10.456 -0.996 348 HG12 ILE 49 1HG1 ILE 49 1.226 -11.494 0.619 349 HG13 ILE 49 2HG1 ILE 49 1.694 -12.073 -0.975 350 HG21 ILE 49 1HG2 ILE 49 2.373 -9.396 1.561 351 HG22 ILE 49 2HG2 ILE 49 3.855 -10.346 1.462 352 HG23 ILE 49 3HG2 ILE 49 3.772 -8.760 0.698 353 HD11 ILE 49 3HD1 ILE 49 3.968 -12.203 0.711 354 HD12 ILE 49 1HD1 ILE 49 2.605 -12.936 1.556 355 HD13 ILE 49 2HD1 ILE 49 3.070 -13.522 -0.041 356 H CYS 50 H CYS 50 1.390 -7.049 -0.100 357 HA CYS 50 HA CYS 50 2.407 -5.384 -2.052 358 HB2 CYS 50 1HB CYS 50 2.476 -3.661 -0.402 359 HB3 CYS 50 2HB CYS 50 1.124 -4.709 0.016 360 HA PRO 51 HA PRO 51 6.776 -5.802 -2.042 361 HB2 PRO 51 1HB PRO 51 7.544 -3.266 -2.632 362 HB3 PRO 51 2HB PRO 51 6.798 -4.344 -3.817 363 HG2 PRO 51 1HG PRO 51 5.552 -2.153 -2.202 364 HG3 PRO 51 2HG PRO 51 5.321 -2.551 -3.914 365 HD2 PRO 51 1HD PRO 51 3.550 -3.275 -1.998 366 HD3 PRO 51 2HD PRO 51 3.843 -4.257 -3.448 367 H ARG 52 H ARG 52 5.179 -3.775 0.199 368 HA ARG 52 HA ARG 52 7.525 -2.855 1.579 369 HB2 ARG 52 1HB ARG 52 4.612 -2.551 1.848 370 HB3 ARG 52 2HB ARG 52 5.484 -2.568 3.375 371 HG2 ARG 52 1HG ARG 52 5.283 -0.307 2.699 372 HG3 ARG 52 2HG ARG 52 6.966 -0.778 2.450 373 HD2 ARG 52 1HD ARG 52 5.069 -1.105 0.185 374 HD3 ARG 52 2HD ARG 52 5.584 0.529 0.604 375 HE ARG 52 HE ARG 52 7.146 -1.490 -0.680 376 HH11 ARG 52 1HH1 ARG 52 7.300 1.282 1.422 377 HH12 ARG 52 2HH1 ARG 52 8.936 1.670 1.004 378 HH21 ARG 52 1HH2 ARG 52 9.301 -0.988 -1.237 379 HH22 ARG 52 2HH2 ARG 52 10.073 0.379 -0.509 380 H CYS 53 H CYS 53 5.507 -5.657 1.670 381 HA CYS 53 HA CYS 53 6.398 -6.485 4.300 382 HB2 CYS 53 1HB CYS 53 4.530 -7.596 2.240 383 HB3 CYS 53 2HB CYS 53 5.153 -8.657 3.499 384 H GLN 54 H GLN 54 6.695 -7.758 0.983 385 HA GLN 54 HA GLN 54 8.413 -9.858 1.484 386 HB2 GLN 54 1HB GLN 54 8.204 -8.043 -0.916 387 HB3 GLN 54 2HB GLN 54 9.229 -9.471 -0.887 388 HG2 GLN 54 1HG GLN 54 6.425 -9.887 -0.093 389 HG3 GLN 54 2HG GLN 54 6.698 -9.455 -1.780 390 HE21 GLN 54 1HE2 GLN 54 6.912 -11.121 -3.073 391 HE22 GLN 54 2HE2 GLN 54 7.560 -12.666 -2.655 392 H ASP 55 H ASP 55 9.105 -6.440 1.298 393 HA ASP 55 HA ASP 55 11.916 -6.624 1.057 394 HB2 ASP 55 1HB ASP 55 10.067 -4.572 1.072 395 HB3 ASP 55 2HB ASP 55 10.960 -4.309 2.568 396 H GLN 56 H GLN 56 13.531 -6.262 2.661 397 HA GLN 56 HA GLN 56 12.689 -7.000 5.386 398 HB2 GLN 56 1HB GLN 56 14.785 -8.249 5.627 399 HB3 GLN 56 2HB GLN 56 13.813 -8.881 4.305 400 HG2 GLN 56 1HG GLN 56 15.557 -8.682 2.969 401 HG3 GLN 56 2HG GLN 56 15.498 -6.934 3.187 402 HE21 GLN 56 1HE2 GLN 56 17.769 -8.785 2.835 403 HE22 GLN 56 2HE2 GLN 56 18.807 -8.501 4.187 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.007 8.379 9.724 2 HA2 GLY 1 1HA GLY 1 -9.873 9.648 11.010 3 HA3 GLY 1 2HA GLY 1 -10.458 9.964 9.383 4 H SER 2 H SER 2 -12.021 8.657 11.254 5 HA SER 2 HA SER 2 -11.833 5.814 10.935 6 HB2 SER 2 1HB SER 2 -14.093 7.527 11.996 7 HB3 SER 2 2HB SER 2 -14.004 5.770 12.118 8 HG SER 2 HG SER 2 -12.899 6.093 13.863 9 H SER 3 H SER 3 -12.845 4.510 9.513 10 HA SER 3 HA SER 3 -15.130 5.260 8.002 11 HB2 SER 3 1HB SER 3 -13.573 4.909 5.796 12 HB3 SER 3 2HB SER 3 -14.032 6.486 6.439 13 HG SER 3 HG SER 3 -11.868 6.592 6.299 14 H GLY 4 H GLY 4 -16.176 3.400 7.815 15 HA2 GLY 4 1HA GLY 4 -16.404 1.237 6.820 16 HA3 GLY 4 2HA GLY 4 -14.671 1.007 7.005 17 H SER 5 H SER 5 -13.984 -0.174 8.670 18 HA SER 5 HA SER 5 -15.688 -0.432 11.040 19 HB2 SER 5 1HB SER 5 -16.218 -2.344 9.567 20 HB3 SER 5 2HB SER 5 -14.513 -2.792 9.549 21 HG SER 5 HG SER 5 -16.082 -3.802 11.158 22 H SER 6 H SER 6 -13.265 1.033 10.614 23 HA SER 6 HA SER 6 -11.219 1.402 11.541 24 HB2 SER 6 1HB SER 6 -12.131 -0.532 13.680 25 HB3 SER 6 2HB SER 6 -10.943 0.761 13.845 26 HG SER 6 HG SER 6 -12.511 2.224 13.900 27 H GLY 7 H GLY 7 -10.865 -0.211 9.519 28 HA2 GLY 7 1HA GLY 7 -8.769 -2.017 10.449 29 HA3 GLY 7 2HA GLY 7 -10.071 -2.740 9.516 30 H HIS 8 H HIS 8 -7.024 -1.634 9.274 31 HA HIS 8 HA HIS 8 -5.652 -1.097 7.541 32 HB2 HIS 8 1HB HIS 8 -7.983 -1.903 5.792 33 HB3 HIS 8 2HB HIS 8 -6.295 -1.794 5.303 34 HD2 HIS 8 HD2 HIS 8 -4.951 -4.138 5.503 35 HE1 HIS 8 HE1 HIS 8 -7.657 -6.146 8.081 36 HE2 HIS 8 HE2 HIS 8 -5.509 -6.319 6.778 37 H GLU 9 H GLU 9 -5.444 0.374 5.580 38 HA GLU 9 HA GLU 9 -6.786 2.863 6.210 39 HB2 GLU 9 1HB GLU 9 -4.769 2.412 4.017 40 HB3 GLU 9 2HB GLU 9 -5.172 3.921 4.822 41 HG2 GLU 9 1HG GLU 9 -4.320 2.684 6.951 42 HG3 GLU 9 2HG GLU 9 -3.502 1.649 5.782 43 H ASP 10 H ASP 10 -7.156 4.248 4.039 44 HA ASP 10 HA ASP 10 -8.624 2.641 2.085 45 HB2 ASP 10 1HB ASP 10 -9.794 4.743 3.877 46 HB3 ASP 10 2HB ASP 10 -10.459 4.494 2.265 47 H PHE 11 H PHE 11 -6.130 4.256 2.133 48 HA PHE 11 HA PHE 11 -6.710 5.828 -0.250 49 HB2 PHE 11 1HB PHE 11 -5.102 7.032 2.003 50 HB3 PHE 11 2HB PHE 11 -5.649 7.822 0.527 51 HD1 PHE 11 HD1 PHE 11 -8.088 8.273 0.218 52 HD2 PHE 11 HD2 PHE 11 -6.457 6.951 3.921 53 HE1 PHE 11 HE1 PHE 11 -10.113 9.045 1.382 54 HE2 PHE 11 HE2 PHE 11 -8.480 7.720 5.091 55 HZ PHE 11 HZ PHE 11 -10.312 8.769 3.821 56 H CYS 12 H CYS 12 -5.055 5.874 -1.709 57 HA CYS 12 HA CYS 12 -3.141 3.886 -1.707 58 HB2 CYS 12 1HB CYS 12 -3.877 5.158 -3.709 59 HB3 CYS 12 2HB CYS 12 -2.947 6.542 -3.143 60 H SER 13 H SER 13 -1.046 3.695 -1.074 61 HA SER 13 HA SER 13 -0.067 5.735 0.775 62 HB2 SER 13 1HB SER 13 -0.123 3.002 0.966 63 HB3 SER 13 2HB SER 13 1.536 3.291 0.444 64 HG SER 13 HG SER 13 0.637 3.494 2.863 65 H VAL 14 H VAL 14 0.022 6.363 -1.983 66 HA VAL 14 HA VAL 14 2.882 6.832 -2.256 67 HB VAL 14 HB VAL 14 1.276 5.553 -4.474 68 HG11 VAL 14 1HG1 VAL 14 3.377 5.571 -5.728 69 HG12 VAL 14 2HG1 VAL 14 2.862 7.207 -5.314 70 HG13 VAL 14 3HG1 VAL 14 4.161 6.433 -4.405 71 HG21 VAL 14 3HG2 VAL 14 3.586 4.482 -2.855 72 HG22 VAL 14 1HG2 VAL 14 1.907 3.953 -2.748 73 HG23 VAL 14 2HG2 VAL 14 2.828 3.673 -4.226 74 H CYS 15 H CYS 15 -0.320 7.280 -3.734 75 HA CYS 15 HA CYS 15 0.483 10.025 -4.446 76 HB2 CYS 15 1HB CYS 15 -1.192 9.951 -6.214 77 HB3 CYS 15 2HB CYS 15 -0.076 8.601 -6.386 78 H ARG 16 H ARG 16 -1.777 8.047 -2.730 79 HA ARG 16 HA ARG 16 -3.437 8.532 -1.253 80 HB2 ARG 16 1HB ARG 16 -1.691 10.876 -1.204 81 HB3 ARG 16 2HB ARG 16 -3.351 11.245 -0.752 82 HG2 ARG 16 1HG ARG 16 -3.295 9.804 1.085 83 HG3 ARG 16 2HG ARG 16 -1.864 8.961 0.491 84 HD2 ARG 16 1HD ARG 16 -0.435 10.593 1.209 85 HD3 ARG 16 2HD ARG 16 -1.637 11.871 1.036 86 HE ARG 16 HE ARG 16 -2.227 11.539 3.214 87 HH11 ARG 16 1HH1 ARG 16 -0.528 8.722 2.076 88 HH12 ARG 16 2HH1 ARG 16 -0.485 7.959 3.631 89 HH21 ARG 16 1HH2 ARG 16 -2.177 10.545 5.267 90 HH22 ARG 16 2HH2 ARG 16 -1.424 8.997 5.445 91 H LYS 17 H LYS 17 -5.008 8.096 -2.873 92 HA LYS 17 HA LYS 17 -6.573 10.462 -3.581 93 HB2 LYS 17 1HB LYS 17 -5.520 8.412 -5.511 94 HB3 LYS 17 2HB LYS 17 -6.998 9.301 -5.855 95 HG2 LYS 17 1HG LYS 17 -5.606 11.408 -5.449 96 HG3 LYS 17 2HG LYS 17 -4.203 10.346 -5.582 97 HD2 LYS 17 1HD LYS 17 -4.382 10.239 -7.806 98 HD3 LYS 17 2HD LYS 17 -6.115 9.913 -7.725 99 HE2 LYS 17 1HE LYS 17 -6.655 12.193 -7.699 100 HE3 LYS 17 2HE LYS 17 -5.013 12.667 -7.267 101 HZ1 LYS 17 3HZ LYS 17 -4.750 13.048 -9.431 102 HZ2 LYS 17 1HZ LYS 17 -6.158 12.210 -9.855 103 HZ3 LYS 17 2HZ LYS 17 -4.707 11.369 -9.635 104 H SER 18 H SER 18 -8.702 9.577 -4.736 105 HA SER 18 HA SER 18 -9.756 7.528 -2.915 106 HB2 SER 18 1HB SER 18 -11.851 8.546 -3.065 107 HB3 SER 18 2HB SER 18 -10.756 9.927 -3.134 108 HG SER 18 HG SER 18 -11.732 10.362 -4.937 109 H GLY 19 H GLY 19 -11.112 5.863 -3.701 110 HA2 GLY 19 1HA GLY 19 -12.207 5.101 -5.903 111 HA3 GLY 19 2HA GLY 19 -10.560 5.181 -6.512 112 H GLN 20 H GLN 20 -10.613 2.957 -7.019 113 HA GLN 20 HA GLN 20 -11.005 1.037 -4.889 114 HB2 GLN 20 1HB GLN 20 -10.867 0.982 -7.796 115 HB3 GLN 20 2HB GLN 20 -9.950 -0.329 -7.065 116 HG2 GLN 20 1HG GLN 20 -11.791 -1.438 -6.511 117 HG3 GLN 20 2HG GLN 20 -12.549 0.001 -5.831 118 HE21 GLN 20 1HE2 GLN 20 -14.438 0.349 -6.731 119 HE22 GLN 20 2HE2 GLN 20 -14.827 0.158 -8.403 120 H LEU 21 H LEU 21 -9.462 0.072 -3.716 121 HA LEU 21 HA LEU 21 -6.659 0.410 -4.545 122 HB2 LEU 21 1HB LEU 21 -7.988 1.246 -2.062 123 HB3 LEU 21 2HB LEU 21 -6.475 0.371 -1.834 124 HG LEU 21 HG LEU 21 -6.482 2.638 -3.755 125 HD11 LEU 21 1HD1 LEU 21 -7.681 3.133 -1.408 126 HD12 LEU 21 2HD1 LEU 21 -6.677 4.310 -2.253 127 HD13 LEU 21 3HD1 LEU 21 -5.997 3.356 -0.936 128 HD21 LEU 21 3HD2 LEU 21 -4.252 2.639 -3.384 129 HD22 LEU 21 1HD2 LEU 21 -4.568 0.978 -2.883 130 HD23 LEU 21 2HD2 LEU 21 -4.423 2.251 -1.672 131 H LEU 22 H LEU 22 -5.221 -1.233 -3.891 132 HA LEU 22 HA LEU 22 -6.489 -3.817 -3.585 133 HB2 LEU 22 1HB LEU 22 -4.444 -3.133 -5.071 134 HB3 LEU 22 2HB LEU 22 -3.531 -3.422 -3.592 135 HG LEU 22 HG LEU 22 -4.381 -5.738 -3.552 136 HD11 LEU 22 1HD1 LEU 22 -5.906 -4.742 -5.889 137 HD12 LEU 22 2HD1 LEU 22 -6.361 -5.911 -4.649 138 HD13 LEU 22 3HD1 LEU 22 -5.288 -6.392 -5.963 139 HD21 LEU 22 3HD2 LEU 22 -2.334 -4.735 -4.996 140 HD22 LEU 22 1HD2 LEU 22 -3.257 -5.539 -6.266 141 HD23 LEU 22 2HD2 LEU 22 -2.699 -6.456 -4.867 142 H MET 23 H MET 23 -5.941 -5.341 -1.949 143 HA MET 23 HA MET 23 -5.023 -4.087 0.555 144 HB2 MET 23 1HB MET 23 -7.027 -6.316 0.163 145 HB3 MET 23 2HB MET 23 -6.442 -5.761 1.726 146 HG2 MET 23 1HG MET 23 -7.285 -3.429 0.731 147 HG3 MET 23 2HG MET 23 -8.366 -4.520 -0.134 148 HE1 MET 23 3HE MET 23 -8.160 -2.259 2.529 149 HE2 MET 23 1HE MET 23 -8.880 -2.949 3.984 150 HE3 MET 23 2HE MET 23 -7.219 -3.349 3.548 151 H CYS 24 H CYS 24 -3.582 -5.189 1.849 152 HA CYS 24 HA CYS 24 -2.093 -7.307 0.514 153 HB2 CYS 24 1HB CYS 24 -0.849 -5.409 1.448 154 HB3 CYS 24 2HB CYS 24 -1.488 -5.768 3.048 155 H ASP 25 H ASP 25 -1.719 -9.336 1.376 156 HA ASP 25 HA ASP 25 -3.693 -10.207 3.350 157 HB2 ASP 25 1HB ASP 25 -3.060 -11.314 0.986 158 HB3 ASP 25 2HB ASP 25 -1.915 -12.174 2.012 159 H THR 26 H THR 26 -1.663 -8.716 4.452 160 HA THR 26 HA THR 26 -0.582 -10.578 6.351 161 HB THR 26 HB THR 26 1.694 -9.040 5.514 162 HG1 THR 26 HG1 THR 26 1.925 -10.253 3.461 163 HG21 THR 26 3HG2 THR 26 1.059 -11.984 5.652 164 HG22 THR 26 1HG2 THR 26 1.944 -11.013 6.828 165 HG23 THR 26 2HG2 THR 26 2.657 -11.356 5.251 166 H CYS 27 H CYS 27 0.323 -7.333 5.172 167 HA CYS 27 HA CYS 27 0.187 -6.328 7.903 168 HB2 CYS 27 1HB CYS 27 1.304 -4.365 7.072 169 HB3 CYS 27 2HB CYS 27 2.120 -5.779 6.411 170 H SER 28 H SER 28 -0.503 -3.728 7.599 171 HA SER 28 HA SER 28 -3.276 -3.866 6.610 172 HB2 SER 28 1HB SER 28 -2.131 -2.651 9.106 173 HB3 SER 28 2HB SER 28 -3.628 -2.021 8.419 174 HG SER 28 HG SER 28 -3.249 -4.232 9.890 175 H ARG 29 H ARG 29 -1.716 -3.143 4.690 176 HA ARG 29 HA ARG 29 -1.991 -0.223 4.540 177 HB2 ARG 29 1HB ARG 29 0.390 -1.815 3.572 178 HB3 ARG 29 2HB ARG 29 0.134 -0.099 3.286 179 HG2 ARG 29 1HG ARG 29 0.514 0.459 5.506 180 HG3 ARG 29 2HG ARG 29 0.208 -1.185 6.071 181 HD2 ARG 29 1HD ARG 29 2.467 -1.246 6.179 182 HD3 ARG 29 2HD ARG 29 2.303 -1.655 4.472 183 HE ARG 29 HE ARG 29 2.447 1.032 4.418 184 HH11 ARG 29 1HH1 ARG 29 4.404 -1.402 5.956 185 HH12 ARG 29 2HH1 ARG 29 5.863 -0.472 5.866 186 HH21 ARG 29 1HH2 ARG 29 4.361 2.266 4.293 187 HH22 ARG 29 2HH2 ARG 29 5.837 1.614 4.920 188 H VAL 30 H VAL 30 -2.647 0.583 2.580 189 HA VAL 30 HA VAL 30 -3.435 -1.429 0.581 190 HB VAL 30 HB VAL 30 -5.101 0.214 -0.196 191 HG11 VAL 30 1HG1 VAL 30 -5.737 -1.473 1.446 192 HG12 VAL 30 2HG1 VAL 30 -5.262 -0.390 2.755 193 HG13 VAL 30 3HG1 VAL 30 -6.620 0.030 1.711 194 HG21 VAL 30 3HG2 VAL 30 -4.214 1.847 2.180 195 HG22 VAL 30 1HG2 VAL 30 -3.911 2.246 0.489 196 HG23 VAL 30 2HG2 VAL 30 -5.563 2.218 1.106 197 H TYR 31 H TYR 31 -3.076 -1.050 -1.613 198 HA TYR 31 HA TYR 31 -1.535 1.299 -2.389 199 HB2 TYR 31 1HB TYR 31 -0.520 -1.501 -2.918 200 HB3 TYR 31 2HB TYR 31 0.249 0.004 -3.410 201 HD1 TYR 31 HD1 TYR 31 1.247 1.497 -1.684 202 HD2 TYR 31 HD2 TYR 31 -0.229 -2.377 -0.725 203 HE1 TYR 31 HE1 TYR 31 2.511 1.544 0.425 204 HE2 TYR 31 HE2 TYR 31 1.031 -2.340 1.387 205 HH TYR 31 HH TYR 31 2.658 -1.269 2.542 206 H HIS 32 H HIS 32 -1.991 1.968 -4.407 207 HA HIS 32 HA HIS 32 -4.185 0.968 -5.804 208 HB2 HIS 32 1HB HIS 32 -2.016 2.915 -6.402 209 HB3 HIS 32 2HB HIS 32 -2.970 2.324 -7.759 210 HD2 HIS 32 HD2 HIS 32 -5.826 2.342 -5.854 211 HE1 HIS 32 HE1 HIS 32 -5.107 6.520 -6.017 212 HE2 HIS 32 HE2 HIS 32 -6.774 4.716 -5.460 213 H LEU 33 H LEU 33 -3.851 0.527 -8.335 214 HA LEU 33 HA LEU 33 -2.367 -1.976 -8.434 215 HB2 LEU 33 1HB LEU 33 -4.550 -0.728 -10.013 216 HB3 LEU 33 2HB LEU 33 -3.512 -1.897 -10.827 217 HG LEU 33 HG LEU 33 -5.099 -2.451 -8.320 218 HD11 LEU 33 1HD1 LEU 33 -6.867 -2.754 -9.619 219 HD12 LEU 33 2HD1 LEU 33 -5.982 -3.992 -10.510 220 HD13 LEU 33 3HD1 LEU 33 -5.929 -2.312 -11.046 221 HD21 LEU 33 3HD2 LEU 33 -3.236 -4.055 -10.017 222 HD22 LEU 33 1HD2 LEU 33 -4.577 -4.850 -9.192 223 HD23 LEU 33 2HD2 LEU 33 -3.366 -3.970 -8.259 224 H ASP 34 H ASP 34 -2.195 1.259 -9.650 225 HA ASP 34 HA ASP 34 -0.066 0.519 -11.529 226 HB2 ASP 34 1HB ASP 34 -1.795 2.961 -11.226 227 HB3 ASP 34 2HB ASP 34 -0.301 3.020 -12.158 228 H CYS 35 H CYS 35 -0.628 1.994 -8.476 229 HA CYS 35 HA CYS 35 2.015 3.242 -8.430 230 HB2 CYS 35 1HB CYS 35 -0.054 3.254 -6.231 231 HB3 CYS 35 2HB CYS 35 1.322 4.337 -6.420 232 H LEU 36 H LEU 36 2.528 0.711 -8.649 233 HA LEU 36 HA LEU 36 3.084 -0.242 -5.917 234 HB2 LEU 36 1HB LEU 36 2.305 -1.735 -8.392 235 HB3 LEU 36 2HB LEU 36 3.211 -2.534 -7.108 236 HG LEU 36 HG LEU 36 0.525 -1.215 -6.725 237 HD11 LEU 36 1HD1 LEU 36 1.248 -3.811 -7.815 238 HD12 LEU 36 2HD1 LEU 36 -0.308 -2.982 -7.796 239 HD13 LEU 36 3HD1 LEU 36 0.203 -3.929 -6.399 240 HD21 LEU 36 3HD2 LEU 36 2.356 -2.817 -4.974 241 HD22 LEU 36 1HD2 LEU 36 0.619 -2.763 -4.674 242 HD23 LEU 36 2HD2 LEU 36 1.565 -1.275 -4.642 243 H ASP 37 H ASP 37 4.911 -2.084 -6.188 244 HA ASP 37 HA ASP 37 6.986 -1.252 -8.045 245 HB2 ASP 37 1HB ASP 37 6.940 -0.225 -5.425 246 HB3 ASP 37 2HB ASP 37 8.185 -1.471 -5.431 247 HA PRO 38 HA PRO 38 7.524 -2.211 -9.571 248 HB2 PRO 38 1HB PRO 38 6.679 -4.128 -11.298 249 HB3 PRO 38 2HB PRO 38 8.362 -3.977 -10.779 250 HG2 PRO 38 1HG PRO 38 6.236 -5.835 -9.788 251 HG3 PRO 38 2HG PRO 38 7.939 -6.173 -10.145 252 HD2 PRO 38 1HD PRO 38 7.028 -5.784 -7.625 253 HD3 PRO 38 2HD PRO 38 8.662 -5.311 -8.133 254 HA PRO 39 HA PRO 39 3.286 -1.121 -9.997 255 HB2 PRO 39 1HB PRO 39 3.065 -0.568 -12.646 256 HB3 PRO 39 2HB PRO 39 3.936 0.476 -11.515 257 HG2 PRO 39 1HG PRO 39 5.012 -1.575 -13.411 258 HG3 PRO 39 2HG PRO 39 5.624 0.050 -13.056 259 HD2 PRO 39 1HD PRO 39 6.712 -2.183 -11.980 260 HD3 PRO 39 2HD PRO 39 6.673 -0.631 -11.120 261 H LEU 40 H LEU 40 1.219 -1.717 -10.907 262 HA LEU 40 HA LEU 40 1.202 -4.343 -12.235 263 HB2 LEU 40 1HB LEU 40 -0.070 -3.490 -9.714 264 HB3 LEU 40 2HB LEU 40 -1.074 -4.449 -10.799 265 HG LEU 40 HG LEU 40 1.594 -5.287 -9.664 266 HD11 LEU 40 1HD1 LEU 40 0.505 -6.100 -7.914 267 HD12 LEU 40 2HD1 LEU 40 -0.638 -6.943 -8.959 268 HD13 LEU 40 3HD1 LEU 40 -0.947 -5.275 -8.480 269 HD21 LEU 40 3HD2 LEU 40 1.356 -6.317 -11.780 270 HD22 LEU 40 1HD2 LEU 40 -0.355 -6.647 -11.509 271 HD23 LEU 40 2HD2 LEU 40 0.868 -7.523 -10.589 272 H LYS 41 H LYS 41 -1.237 -4.808 -12.900 273 HA LYS 41 HA LYS 41 -2.446 -2.369 -13.991 274 HB2 LYS 41 1HB LYS 41 -0.991 -3.322 -15.742 275 HB3 LYS 41 2HB LYS 41 -1.853 -4.850 -15.617 276 HG2 LYS 41 1HG LYS 41 -3.948 -3.522 -16.208 277 HG3 LYS 41 2HG LYS 41 -2.845 -2.226 -16.676 278 HD2 LYS 41 1HD LYS 41 -1.748 -4.404 -17.922 279 HD3 LYS 41 2HD LYS 41 -3.477 -4.741 -18.031 280 HE2 LYS 41 1HE LYS 41 -3.636 -2.265 -18.812 281 HE3 LYS 41 2HE LYS 41 -1.915 -2.448 -19.150 282 HZ1 LYS 41 3HZ LYS 41 -4.139 -4.043 -20.297 283 HZ2 LYS 41 1HZ LYS 41 -2.503 -4.414 -20.516 284 HZ3 LYS 41 2HZ LYS 41 -3.128 -2.962 -21.117 285 H THR 42 H THR 42 -2.991 -5.867 -14.388 286 HA THR 42 HA THR 42 -5.807 -5.462 -13.733 287 HB THR 42 HB THR 42 -6.216 -7.646 -14.624 288 HG1 THR 42 HG1 THR 42 -4.697 -9.075 -14.269 289 HG21 THR 42 3HG2 THR 42 -5.888 -5.892 -16.291 290 HG22 THR 42 1HG2 THR 42 -5.312 -7.443 -16.899 291 HG23 THR 42 2HG2 THR 42 -4.159 -6.236 -16.329 292 H ILE 43 H ILE 43 -6.595 -7.817 -12.700 293 HA ILE 43 HA ILE 43 -5.775 -7.611 -9.978 294 HB ILE 43 HB ILE 43 -7.488 -9.715 -11.306 295 HG12 ILE 43 1HG1 ILE 43 -8.754 -7.723 -9.567 296 HG13 ILE 43 2HG1 ILE 43 -8.026 -7.032 -11.012 297 HG21 ILE 43 1HG2 ILE 43 -7.455 -10.785 -9.363 298 HG22 ILE 43 2HG2 ILE 43 -6.409 -9.548 -8.668 299 HG23 ILE 43 3HG2 ILE 43 -8.162 -9.366 -8.592 300 HD11 ILE 43 3HD1 ILE 43 -10.082 -9.226 -10.922 301 HD12 ILE 43 1HD1 ILE 43 -10.347 -7.550 -11.404 302 HD13 ILE 43 2HD1 ILE 43 -9.323 -8.599 -12.385 303 HA PRO 44 HA PRO 44 -2.277 -10.366 -10.469 304 HB2 PRO 44 1HB PRO 44 -1.391 -10.087 -7.918 305 HB3 PRO 44 2HB PRO 44 -1.101 -8.877 -9.174 306 HG2 PRO 44 1HG PRO 44 -3.178 -8.911 -7.018 307 HG3 PRO 44 2HG PRO 44 -2.174 -7.563 -7.583 308 HD2 PRO 44 1HD PRO 44 -4.752 -7.880 -8.348 309 HD3 PRO 44 2HD PRO 44 -3.523 -7.158 -9.407 310 H LYS 45 H LYS 45 -3.479 -12.293 -10.706 311 HA LYS 45 HA LYS 45 -4.978 -13.602 -8.790 312 HB2 LYS 45 1HB LYS 45 -3.725 -14.275 -11.306 313 HB3 LYS 45 2HB LYS 45 -3.621 -15.626 -10.184 314 HG2 LYS 45 1HG LYS 45 -5.796 -16.081 -10.355 315 HG3 LYS 45 2HG LYS 45 -6.255 -14.380 -10.244 316 HD2 LYS 45 1HD LYS 45 -5.964 -14.041 -12.552 317 HD3 LYS 45 2HD LYS 45 -5.046 -15.537 -12.741 318 HE2 LYS 45 1HE LYS 45 -7.042 -16.844 -12.293 319 HE3 LYS 45 2HE LYS 45 -7.968 -15.372 -12.007 320 HZ1 LYS 45 3HZ LYS 45 -8.501 -15.679 -14.162 321 HZ2 LYS 45 1HZ LYS 45 -7.102 -16.563 -14.516 322 HZ3 LYS 45 2HZ LYS 45 -7.038 -14.875 -14.435 323 H GLY 46 H GLY 46 -4.487 -15.453 -7.445 324 HA2 GLY 46 1HA GLY 46 -3.182 -16.702 -5.998 325 HA3 GLY 46 2HA GLY 46 -1.752 -16.055 -6.788 326 H MET 47 H MET 47 -1.965 -16.418 -4.012 327 HA MET 47 HA MET 47 -2.770 -14.251 -2.505 328 HB2 MET 47 1HB MET 47 -1.941 -16.370 -1.557 329 HB3 MET 47 2HB MET 47 -0.310 -15.954 -2.066 330 HG2 MET 47 1HG MET 47 -0.438 -13.943 -0.609 331 HG3 MET 47 2HG MET 47 -1.991 -14.531 -0.019 332 HE1 MET 47 3HE MET 47 0.840 -13.978 1.872 333 HE2 MET 47 1HE MET 47 -0.872 -14.108 2.277 334 HE3 MET 47 2HE MET 47 0.298 -15.186 3.038 335 H TRP 48 H TRP 48 -2.375 -12.202 -3.099 336 HA TRP 48 HA TRP 48 0.266 -11.442 -4.066 337 HB2 TRP 48 1HB TRP 48 -1.760 -10.600 -5.218 338 HB3 TRP 48 2HB TRP 48 -2.232 -9.764 -3.741 339 HD1 TRP 48 HD1 TRP 48 0.341 -9.602 -6.579 340 HE1 TRP 48 HE1 TRP 48 1.390 -7.252 -6.599 341 HE3 TRP 48 HE3 TRP 48 -1.721 -7.756 -2.281 342 HZ2 TRP 48 HZ2 TRP 48 1.350 -4.924 -5.003 343 HZ3 TRP 48 HZ3 TRP 48 -1.164 -5.459 -1.598 344 HH2 TRP 48 HH2 TRP 48 0.340 -4.074 -2.932 345 H ILE 49 H ILE 49 1.629 -10.001 -3.045 346 HA ILE 49 HA ILE 49 0.860 -9.052 -0.379 347 HB ILE 49 HB ILE 49 3.483 -10.433 -0.956 348 HG12 ILE 49 1HG1 ILE 49 1.110 -11.356 0.679 349 HG13 ILE 49 2HG1 ILE 49 1.611 -12.022 -0.871 350 HG21 ILE 49 1HG2 ILE 49 3.638 -8.621 0.688 351 HG22 ILE 49 2HG2 ILE 49 2.350 -9.371 1.628 352 HG23 ILE 49 3HG2 ILE 49 3.894 -10.200 1.430 353 HD11 ILE 49 3HD1 ILE 49 2.459 -12.738 1.740 354 HD12 ILE 49 1HD1 ILE 49 2.905 -13.458 0.193 355 HD13 ILE 49 2HD1 ILE 49 3.847 -12.117 0.847 356 H CYS 50 H CYS 50 1.366 -6.984 -0.073 357 HA CYS 50 HA CYS 50 2.392 -5.324 -2.025 358 HB2 CYS 50 1HB CYS 50 2.494 -3.609 -0.367 359 HB3 CYS 50 2HB CYS 50 1.127 -4.639 0.049 360 HA PRO 51 HA PRO 51 6.756 -5.793 -2.038 361 HB2 PRO 51 1HB PRO 51 7.550 -3.263 -2.624 362 HB3 PRO 51 2HB PRO 51 6.785 -4.329 -3.809 363 HG2 PRO 51 1HG PRO 51 5.573 -2.129 -2.180 364 HG3 PRO 51 2HG PRO 51 5.328 -2.518 -3.893 365 HD2 PRO 51 1HD PRO 51 3.559 -3.229 -1.970 366 HD3 PRO 51 2HD PRO 51 3.833 -4.209 -3.424 367 H ARG 52 H ARG 52 5.196 -3.745 0.213 368 HA ARG 52 HA ARG 52 7.558 -2.858 1.585 369 HB2 ARG 52 1HB ARG 52 4.655 -2.513 1.858 370 HB3 ARG 52 2HB ARG 52 5.517 -2.569 3.390 371 HG2 ARG 52 1HG ARG 52 5.366 -0.295 2.755 372 HG3 ARG 52 2HG ARG 52 7.039 -0.792 2.491 373 HD2 ARG 52 1HD ARG 52 5.644 -1.335 0.105 374 HD3 ARG 52 2HD ARG 52 5.150 0.277 0.623 375 HE ARG 52 HE ARG 52 7.929 0.114 0.832 376 HH11 ARG 52 1HH1 ARG 52 5.463 0.078 -1.625 377 HH12 ARG 52 2HH1 ARG 52 6.485 0.764 -2.844 378 HH21 ARG 52 1HH2 ARG 52 9.284 1.018 -0.764 379 HH22 ARG 52 2HH2 ARG 52 8.658 1.298 -2.354 380 H CYS 53 H CYS 53 5.505 -5.637 1.683 381 HA CYS 53 HA CYS 53 6.408 -6.483 4.303 382 HB2 CYS 53 1HB CYS 53 4.509 -7.564 2.255 383 HB3 CYS 53 2HB CYS 53 5.130 -8.638 3.505 384 H GLN 54 H GLN 54 6.685 -7.716 0.971 385 HA GLN 54 HA GLN 54 8.362 -9.856 1.439 386 HB2 GLN 54 1HB GLN 54 8.307 -7.993 -0.939 387 HB3 GLN 54 2HB GLN 54 9.142 -9.541 -0.909 388 HG2 GLN 54 1HG GLN 54 6.417 -9.868 -0.073 389 HG3 GLN 54 2HG GLN 54 6.489 -9.039 -1.626 390 HE21 GLN 54 1HE2 GLN 54 5.632 -10.798 -2.720 391 HE22 GLN 54 2HE2 GLN 54 6.543 -12.237 -3.012 392 H ASP 55 H ASP 55 9.109 -6.452 1.354 393 HA ASP 55 HA ASP 55 11.977 -6.942 1.416 394 HB2 ASP 55 1HB ASP 55 11.011 -5.045 0.106 395 HB3 ASP 55 2HB ASP 55 10.497 -4.313 1.624 396 H GLN 56 H GLN 56 9.476 -5.526 3.504 397 HA GLN 56 HA GLN 56 11.364 -5.554 5.744 398 HB2 GLN 56 1HB GLN 56 9.934 -3.510 5.138 399 HB3 GLN 56 2HB GLN 56 8.579 -4.415 5.798 400 HG2 GLN 56 1HG GLN 56 11.077 -3.933 7.382 401 HG3 GLN 56 2HG GLN 56 9.762 -2.760 7.328 402 HE21 GLN 56 1HE2 GLN 56 7.560 -3.743 7.787 403 HE22 GLN 56 2HE2 GLN 56 7.480 -4.854 9.107 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -16.875 -6.565 27.293 2 HA2 GLY 1 1HA GLY 1 -15.273 -6.989 25.665 3 HA3 GLY 1 2HA GLY 1 -16.245 -8.443 25.487 4 H SER 2 H SER 2 -17.038 -5.094 24.631 5 HA SER 2 HA SER 2 -17.236 -5.960 21.820 6 HB2 SER 2 1HB SER 2 -19.041 -4.097 21.709 7 HB3 SER 2 2HB SER 2 -19.473 -5.643 22.440 8 HG SER 2 HG SER 2 -20.080 -3.715 23.656 9 H SER 3 H SER 3 -15.488 -5.114 20.865 10 HA SER 3 HA SER 3 -14.696 -2.366 21.518 11 HB2 SER 3 1HB SER 3 -13.004 -3.873 19.644 12 HB3 SER 3 2HB SER 3 -12.557 -2.970 21.091 13 HG SER 3 HG SER 3 -12.310 -5.369 21.097 14 H GLY 4 H GLY 4 -13.548 -1.367 19.393 15 HA2 GLY 4 1HA GLY 4 -15.083 -1.825 16.982 16 HA3 GLY 4 2HA GLY 4 -15.437 -0.303 17.788 17 H SER 5 H SER 5 -12.787 -2.219 16.422 18 HA SER 5 HA SER 5 -11.711 0.052 15.072 19 HB2 SER 5 1HB SER 5 -10.908 0.356 17.468 20 HB3 SER 5 2HB SER 5 -9.943 -1.101 17.233 21 HG SER 5 HG SER 5 -9.702 1.414 15.996 22 H SER 6 H SER 6 -12.578 -2.317 14.082 23 HA SER 6 HA SER 6 -10.101 -3.765 13.408 24 HB2 SER 6 1HB SER 6 -12.592 -4.745 14.334 25 HB3 SER 6 2HB SER 6 -12.450 -5.230 12.645 26 HG SER 6 HG SER 6 -10.376 -5.609 14.536 27 H GLY 7 H GLY 7 -9.422 -2.666 11.622 28 HA2 GLY 7 1HA GLY 7 -10.640 -3.238 9.144 29 HA3 GLY 7 2HA GLY 7 -11.041 -1.591 9.610 30 H HIS 8 H HIS 8 -9.663 -1.956 7.318 31 HA HIS 8 HA HIS 8 -6.885 -1.263 8.010 32 HB2 HIS 8 1HB HIS 8 -8.054 -2.504 5.520 33 HB3 HIS 8 2HB HIS 8 -6.419 -1.853 5.583 34 HD2 HIS 8 HD2 HIS 8 -5.452 -4.497 5.181 35 HE1 HIS 8 HE1 HIS 8 -6.550 -5.842 9.052 36 HE2 HIS 8 HE2 HIS 8 -5.169 -6.314 7.000 37 H GLU 9 H GLU 9 -5.904 0.114 6.084 38 HA GLU 9 HA GLU 9 -7.090 2.648 6.232 39 HB2 GLU 9 1HB GLU 9 -5.154 1.747 4.100 40 HB3 GLU 9 2HB GLU 9 -5.397 3.380 4.703 41 HG2 GLU 9 1HG GLU 9 -4.207 1.064 6.208 42 HG3 GLU 9 2HG GLU 9 -3.355 2.478 5.591 43 H ASP 10 H ASP 10 -7.129 3.800 3.791 44 HA ASP 10 HA ASP 10 -8.711 2.309 1.914 45 HB2 ASP 10 1HB ASP 10 -9.988 4.272 3.782 46 HB3 ASP 10 2HB ASP 10 -10.600 4.118 2.137 47 H PHE 11 H PHE 11 -6.272 3.998 2.090 48 HA PHE 11 HA PHE 11 -6.851 5.655 -0.236 49 HB2 PHE 11 1HB PHE 11 -5.322 6.808 2.097 50 HB3 PHE 11 2HB PHE 11 -5.876 7.645 0.650 51 HD1 PHE 11 HD2 PHE 11 -8.270 8.149 0.354 52 HD2 PHE 11 HD1 PHE 11 -6.755 6.470 3.960 53 HE1 PHE 11 HE2 PHE 11 -10.336 8.799 1.521 54 HE2 PHE 11 HE1 PHE 11 -8.819 7.117 5.132 55 HZ PHE 11 HZ PHE 11 -10.612 8.285 3.913 56 H CYS 12 H CYS 12 -5.179 5.790 -1.663 57 HA CYS 12 HA CYS 12 -3.198 3.870 -1.690 58 HB2 CYS 12 1HB CYS 12 -3.971 5.229 -3.647 59 HB3 CYS 12 2HB CYS 12 -3.015 6.573 -3.032 60 H SER 13 H SER 13 -1.112 3.727 -1.017 61 HA SER 13 HA SER 13 -0.232 5.746 0.903 62 HB2 SER 13 1HB SER 13 0.485 2.876 0.399 63 HB3 SER 13 2HB SER 13 1.595 3.913 1.296 64 HG SER 13 HG SER 13 0.371 3.471 2.939 65 H VAL 14 H VAL 14 -0.111 6.425 -1.852 66 HA VAL 14 HA VAL 14 2.740 6.991 -2.052 67 HB VAL 14 HB VAL 14 1.221 5.758 -4.355 68 HG11 VAL 14 1HG1 VAL 14 2.713 6.955 -5.536 69 HG12 VAL 14 2HG1 VAL 14 3.763 7.214 -4.141 70 HG13 VAL 14 3HG1 VAL 14 3.845 5.698 -5.039 71 HG21 VAL 14 3HG2 VAL 14 1.772 4.098 -2.657 72 HG22 VAL 14 1HG2 VAL 14 2.759 3.868 -4.100 73 HG23 VAL 14 2HG2 VAL 14 3.454 4.628 -2.669 74 H CYS 15 H CYS 15 -0.467 7.405 -3.518 75 HA CYS 15 HA CYS 15 0.275 10.184 -4.162 76 HB2 CYS 15 1HB CYS 15 -1.370 10.111 -5.962 77 HB3 CYS 15 2HB CYS 15 -0.198 8.812 -6.156 78 H ARG 16 H ARG 16 -1.919 8.098 -2.509 79 HA ARG 16 HA ARG 16 -3.615 8.492 -1.045 80 HB2 ARG 16 1HB ARG 16 -2.783 11.392 -1.121 81 HB3 ARG 16 2HB ARG 16 -3.650 10.560 0.163 82 HG2 ARG 16 1HG ARG 16 -1.724 10.142 1.161 83 HG3 ARG 16 2HG ARG 16 -1.231 9.168 -0.225 84 HD2 ARG 16 1HD ARG 16 0.462 10.774 0.016 85 HD3 ARG 16 2HD ARG 16 -0.536 11.362 -1.313 86 HE ARG 16 HE ARG 16 -1.584 12.575 0.885 87 HH11 ARG 16 1HH1 ARG 16 1.602 12.371 -0.503 88 HH12 ARG 16 2HH1 ARG 16 2.096 13.928 0.076 89 HH21 ARG 16 1HH2 ARG 16 -0.945 14.626 1.653 90 HH22 ARG 16 2HH2 ARG 16 0.647 15.209 1.303 91 H LYS 17 H LYS 17 -5.162 7.994 -2.659 92 HA LYS 17 HA LYS 17 -6.818 10.291 -3.386 93 HB2 LYS 17 1HB LYS 17 -5.367 8.564 -5.259 94 HB3 LYS 17 2HB LYS 17 -7.085 8.697 -5.610 95 HG2 LYS 17 1HG LYS 17 -6.854 11.160 -5.592 96 HG3 LYS 17 2HG LYS 17 -5.115 10.960 -5.368 97 HD2 LYS 17 1HD LYS 17 -4.787 10.223 -7.507 98 HD3 LYS 17 2HD LYS 17 -6.401 9.518 -7.626 99 HE2 LYS 17 1HE LYS 17 -7.349 11.467 -8.308 100 HE3 LYS 17 2HE LYS 17 -6.242 12.462 -7.364 101 HZ1 LYS 17 3HZ LYS 17 -5.772 11.206 -10.001 102 HZ2 LYS 17 1HZ LYS 17 -4.500 11.773 -9.041 103 HZ3 LYS 17 2HZ LYS 17 -5.688 12.845 -9.590 104 H SER 18 H SER 18 -8.911 9.333 -4.528 105 HA SER 18 HA SER 18 -9.907 7.281 -2.685 106 HB2 SER 18 1HB SER 18 -12.094 8.133 -3.074 107 HB3 SER 18 2HB SER 18 -11.053 9.546 -2.904 108 HG SER 18 HG SER 18 -12.580 8.826 -4.984 109 H GLY 19 H GLY 19 -11.813 5.974 -3.743 110 HA2 GLY 19 1HA GLY 19 -12.581 4.942 -5.818 111 HA3 GLY 19 2HA GLY 19 -10.927 5.048 -6.403 112 H GLN 20 H GLN 20 -10.865 2.826 -6.855 113 HA GLN 20 HA GLN 20 -11.205 0.963 -4.644 114 HB2 GLN 20 1HB GLN 20 -10.750 0.644 -7.598 115 HB3 GLN 20 2HB GLN 20 -10.567 -0.717 -6.500 116 HG2 GLN 20 1HG GLN 20 -12.737 -1.079 -6.703 117 HG3 GLN 20 2HG GLN 20 -13.015 0.426 -5.829 118 HE21 GLN 20 1HE2 GLN 20 -13.979 2.057 -6.852 119 HE22 GLN 20 2HE2 GLN 20 -14.341 2.099 -8.541 120 H LEU 21 H LEU 21 -9.590 0.012 -3.549 121 HA LEU 21 HA LEU 21 -6.840 0.374 -4.531 122 HB2 LEU 21 1HB LEU 21 -8.047 1.233 -1.996 123 HB3 LEU 21 2HB LEU 21 -6.516 0.375 -1.831 124 HG LEU 21 HG LEU 21 -6.656 2.622 -3.775 125 HD11 LEU 21 1HD1 LEU 21 -6.138 3.209 -0.890 126 HD12 LEU 21 2HD1 LEU 21 -7.780 3.262 -1.531 127 HD13 LEU 21 3HD1 LEU 21 -6.536 4.315 -2.206 128 HD21 LEU 21 3HD2 LEU 21 -4.410 2.611 -3.577 129 HD22 LEU 21 1HD2 LEU 21 -4.679 0.971 -2.986 130 HD23 LEU 21 2HD2 LEU 21 -4.456 2.295 -1.841 131 H LEU 22 H LEU 22 -5.338 -1.231 -3.901 132 HA LEU 22 HA LEU 22 -6.537 -3.836 -3.554 133 HB2 LEU 22 1HB LEU 22 -4.501 -3.092 -5.038 134 HB3 LEU 22 2HB LEU 22 -3.589 -3.392 -3.560 135 HG LEU 22 HG LEU 22 -4.375 -5.716 -3.556 136 HD11 LEU 22 1HD1 LEU 22 -5.856 -4.805 -5.997 137 HD12 LEU 22 2HD1 LEU 22 -6.458 -5.693 -4.597 138 HD13 LEU 22 3HD1 LEU 22 -5.413 -6.497 -5.769 139 HD21 LEU 22 3HD2 LEU 22 -3.326 -5.380 -6.304 140 HD22 LEU 22 1HD2 LEU 22 -2.767 -6.418 -4.992 141 HD23 LEU 22 2HD2 LEU 22 -2.368 -4.700 -4.989 142 H MET 23 H MET 23 -5.915 -5.350 -1.922 143 HA MET 23 HA MET 23 -4.983 -4.075 0.566 144 HB2 MET 23 1HB MET 23 -7.010 -6.298 0.268 145 HB3 MET 23 2HB MET 23 -6.433 -5.644 1.795 146 HG2 MET 23 1HG MET 23 -7.321 -3.434 0.355 147 HG3 MET 23 2HG MET 23 -8.518 -4.692 0.056 148 HE1 MET 23 3HE MET 23 -8.435 -1.691 2.636 149 HE2 MET 23 1HE MET 23 -9.126 -2.151 1.080 150 HE3 MET 23 2HE MET 23 -10.081 -2.320 2.552 151 H CYS 24 H CYS 24 -3.468 -5.127 1.773 152 HA CYS 24 HA CYS 24 -2.036 -7.271 0.459 153 HB2 CYS 24 1HB CYS 24 -0.809 -5.399 1.488 154 HB3 CYS 24 2HB CYS 24 -1.461 -5.840 3.063 155 H ASP 25 H ASP 25 -1.675 -9.325 1.280 156 HA ASP 25 HA ASP 25 -3.716 -10.257 3.151 157 HB2 ASP 25 1HB ASP 25 -2.863 -11.301 0.787 158 HB3 ASP 25 2HB ASP 25 -1.894 -12.228 1.928 159 H THR 26 H THR 26 -1.644 -8.752 4.290 160 HA THR 26 HA THR 26 -0.682 -10.637 6.244 161 HB THR 26 HB THR 26 1.642 -9.126 5.519 162 HG1 THR 26 HG1 THR 26 0.968 -10.903 3.446 163 HG21 THR 26 3HG2 THR 26 1.381 -11.337 6.777 164 HG22 THR 26 1HG2 THR 26 2.715 -11.217 5.631 165 HG23 THR 26 2HG2 THR 26 1.247 -12.089 5.188 166 H CYS 27 H CYS 27 0.316 -7.399 5.123 167 HA CYS 27 HA CYS 27 0.104 -6.402 7.846 168 HB2 CYS 27 1HB CYS 27 1.223 -4.426 7.038 169 HB3 CYS 27 2HB CYS 27 2.060 -5.837 6.399 170 H SER 28 H SER 28 -0.584 -3.797 7.530 171 HA SER 28 HA SER 28 -3.341 -3.939 6.496 172 HB2 SER 28 1HB SER 28 -2.819 -3.746 9.090 173 HB3 SER 28 2HB SER 28 -2.632 -2.039 8.690 174 HG SER 28 HG SER 28 -4.745 -2.182 9.073 175 H ARG 29 H ARG 29 -1.731 -3.199 4.616 176 HA ARG 29 HA ARG 29 -2.019 -0.279 4.478 177 HB2 ARG 29 1HB ARG 29 0.362 -1.759 3.358 178 HB3 ARG 29 2HB ARG 29 0.128 -0.019 3.448 179 HG2 ARG 29 1HG ARG 29 -0.081 -0.754 6.068 180 HG3 ARG 29 2HG ARG 29 1.125 -1.887 5.455 181 HD2 ARG 29 1HD ARG 29 2.511 -0.166 5.980 182 HD3 ARG 29 2HD ARG 29 2.073 0.336 4.347 183 HE ARG 29 HE ARG 29 1.059 2.162 5.253 184 HH11 ARG 29 1HH1 ARG 29 1.308 -0.292 7.709 185 HH12 ARG 29 2HH1 ARG 29 0.682 0.720 8.968 186 HH21 ARG 29 1HH2 ARG 29 0.233 3.505 6.902 187 HH22 ARG 29 2HH2 ARG 29 0.070 2.879 8.508 188 H VAL 30 H VAL 30 -2.730 0.515 2.553 189 HA VAL 30 HA VAL 30 -3.412 -1.480 0.500 190 HB VAL 30 HB VAL 30 -5.125 0.103 -0.268 191 HG11 VAL 30 1HG1 VAL 30 -5.077 -1.181 2.336 192 HG12 VAL 30 2HG1 VAL 30 -6.221 0.161 2.267 193 HG13 VAL 30 3HG1 VAL 30 -6.341 -1.164 1.108 194 HG21 VAL 30 3HG2 VAL 30 -4.068 2.190 0.355 195 HG22 VAL 30 1HG2 VAL 30 -5.659 2.081 1.107 196 HG23 VAL 30 2HG2 VAL 30 -4.209 1.783 2.065 197 H TYR 31 H TYR 31 -3.121 -0.982 -1.708 198 HA TYR 31 HA TYR 31 -1.600 1.397 -2.404 199 HB2 TYR 31 1HB TYR 31 -0.521 -1.360 -3.019 200 HB3 TYR 31 2HB TYR 31 0.224 0.179 -3.436 201 HD1 TYR 31 HD2 TYR 31 1.287 1.555 -1.706 202 HD2 TYR 31 HD1 TYR 31 -0.362 -2.259 -0.789 203 HE1 TYR 31 HE2 TYR 31 2.524 1.538 0.420 204 HE2 TYR 31 HE1 TYR 31 0.870 -2.286 1.340 205 HH TYR 31 HH TYR 31 2.868 0.471 2.341 206 H HIS 32 H HIS 32 -2.041 2.103 -4.416 207 HA HIS 32 HA HIS 32 -4.215 1.104 -5.848 208 HB2 HIS 32 1HB HIS 32 -2.053 3.079 -6.416 209 HB3 HIS 32 2HB HIS 32 -3.039 2.523 -7.765 210 HD2 HIS 32 HD2 HIS 32 -5.811 2.494 -5.677 211 HE1 HIS 32 HE1 HIS 32 -5.159 6.677 -5.958 212 HE2 HIS 32 HE2 HIS 32 -6.764 4.863 -5.265 213 H LEU 33 H LEU 33 -3.852 0.730 -8.389 214 HA LEU 33 HA LEU 33 -2.335 -1.752 -8.532 215 HB2 LEU 33 1HB LEU 33 -4.494 -0.484 -10.147 216 HB3 LEU 33 2HB LEU 33 -3.461 -1.691 -10.909 217 HG LEU 33 HG LEU 33 -5.139 -2.145 -8.443 218 HD11 LEU 33 1HD1 LEU 33 -6.402 -1.785 -10.584 219 HD12 LEU 33 2HD1 LEU 33 -6.649 -3.353 -9.817 220 HD13 LEU 33 3HD1 LEU 33 -5.589 -3.215 -11.219 221 HD21 LEU 33 3HD2 LEU 33 -4.610 -4.570 -9.097 222 HD22 LEU 33 1HD2 LEU 33 -3.348 -3.633 -8.297 223 HD23 LEU 33 2HD2 LEU 33 -3.288 -3.882 -10.042 224 H ASP 34 H ASP 34 -2.189 1.513 -9.660 225 HA ASP 34 HA ASP 34 -0.041 0.844 -11.544 226 HB2 ASP 34 1HB ASP 34 -1.737 3.311 -11.178 227 HB3 ASP 34 2HB ASP 34 -0.298 3.300 -12.194 228 H CYS 35 H CYS 35 -0.627 2.181 -8.448 229 HA CYS 35 HA CYS 35 1.997 3.477 -8.358 230 HB2 CYS 35 1HB CYS 35 -0.099 3.436 -6.185 231 HB3 CYS 35 2HB CYS 35 1.275 4.528 -6.333 232 H LEU 36 H LEU 36 2.559 0.972 -8.615 233 HA LEU 36 HA LEU 36 3.074 -0.037 -5.895 234 HB2 LEU 36 1HB LEU 36 2.348 -1.485 -8.413 235 HB3 LEU 36 2HB LEU 36 3.245 -2.301 -7.134 236 HG LEU 36 HG LEU 36 0.497 -1.080 -6.866 237 HD11 LEU 36 1HD1 LEU 36 0.471 -3.824 -6.316 238 HD12 LEU 36 2HD1 LEU 36 1.398 -3.640 -7.804 239 HD13 LEU 36 3HD1 LEU 36 -0.241 -2.997 -7.701 240 HD21 LEU 36 3HD2 LEU 36 1.340 -0.898 -4.735 241 HD22 LEU 36 1HD2 LEU 36 2.403 -2.293 -4.917 242 HD23 LEU 36 2HD2 LEU 36 0.669 -2.529 -4.695 243 H ASP 37 H ASP 37 4.924 -1.855 -6.178 244 HA ASP 37 HA ASP 37 7.019 -0.958 -7.981 245 HB2 ASP 37 1HB ASP 37 6.953 0.168 -5.491 246 HB3 ASP 37 2HB ASP 37 7.994 -1.227 -5.216 247 HA PRO 38 HA PRO 38 7.589 -1.873 -9.522 248 HB2 PRO 38 1HB PRO 38 6.789 -3.753 -11.310 249 HB3 PRO 38 2HB PRO 38 8.463 -3.598 -10.763 250 HG2 PRO 38 1HG PRO 38 6.339 -5.502 -9.852 251 HG3 PRO 38 2HG PRO 38 8.051 -5.815 -10.191 252 HD2 PRO 38 1HD PRO 38 7.098 -5.499 -7.676 253 HD3 PRO 38 2HD PRO 38 8.735 -4.998 -8.147 254 HA PRO 39 HA PRO 39 3.347 -0.811 -9.983 255 HB2 PRO 39 1HB PRO 39 3.163 -0.185 -12.618 256 HB3 PRO 39 2HB PRO 39 4.005 0.835 -11.445 257 HG2 PRO 39 1HG PRO 39 5.131 -1.152 -13.380 258 HG3 PRO 39 2HG PRO 39 5.722 0.469 -12.970 259 HD2 PRO 39 1HD PRO 39 6.815 -1.784 -11.940 260 HD3 PRO 39 2HD PRO 39 6.746 -0.257 -11.037 261 H LEU 40 H LEU 40 1.314 -1.516 -10.718 262 HA LEU 40 HA LEU 40 1.347 -4.103 -12.130 263 HB2 LEU 40 1HB LEU 40 0.030 -3.219 -9.670 264 HB3 LEU 40 2HB LEU 40 -1.038 -4.057 -10.794 265 HG LEU 40 HG LEU 40 1.519 -5.154 -9.625 266 HD11 LEU 40 1HD1 LEU 40 -0.988 -6.537 -9.094 267 HD12 LEU 40 2HD1 LEU 40 -0.931 -4.912 -8.414 268 HD13 LEU 40 3HD1 LEU 40 0.316 -6.087 -7.996 269 HD21 LEU 40 3HD2 LEU 40 -0.286 -6.065 -11.788 270 HD22 LEU 40 1HD2 LEU 40 0.284 -7.285 -10.649 271 HD23 LEU 40 2HD2 LEU 40 1.445 -6.325 -11.567 272 H LYS 41 H LYS 41 -1.071 -4.560 -12.905 273 HA LYS 41 HA LYS 41 -2.199 -2.145 -14.118 274 HB2 LYS 41 1HB LYS 41 -0.636 -3.119 -15.762 275 HB3 LYS 41 2HB LYS 41 -1.507 -4.645 -15.673 276 HG2 LYS 41 1HG LYS 41 -3.068 -3.952 -17.099 277 HG3 LYS 41 2HG LYS 41 -3.251 -2.401 -16.276 278 HD2 LYS 41 1HD LYS 41 -1.334 -1.509 -17.443 279 HD3 LYS 41 2HD LYS 41 -1.010 -3.080 -18.180 280 HE2 LYS 41 1HE LYS 41 -3.727 -2.179 -18.658 281 HE3 LYS 41 2HE LYS 41 -2.532 -1.030 -19.256 282 HZ1 LYS 41 3HZ LYS 41 -2.199 -2.346 -20.986 283 HZ2 LYS 41 1HZ LYS 41 -3.326 -3.462 -20.397 284 HZ3 LYS 41 2HZ LYS 41 -1.696 -3.599 -19.967 285 H THR 42 H THR 42 -2.703 -5.654 -14.476 286 HA THR 42 HA THR 42 -5.559 -5.251 -14.022 287 HB THR 42 HB THR 42 -5.898 -7.458 -14.884 288 HG1 THR 42 HG1 THR 42 -3.141 -7.908 -15.222 289 HG21 THR 42 3HG2 THR 42 -3.683 -6.573 -16.665 290 HG22 THR 42 1HG2 THR 42 -5.037 -5.473 -16.410 291 HG23 THR 42 2HG2 THR 42 -5.321 -7.084 -17.071 292 H ILE 43 H ILE 43 -6.404 -7.584 -12.985 293 HA ILE 43 HA ILE 43 -5.768 -7.306 -10.220 294 HB ILE 43 HB ILE 43 -7.374 -9.466 -11.592 295 HG12 ILE 43 1HG1 ILE 43 -8.320 -6.953 -10.198 296 HG13 ILE 43 2HG1 ILE 43 -8.216 -7.144 -11.945 297 HG21 ILE 43 1HG2 ILE 43 -6.460 -9.256 -8.927 298 HG22 ILE 43 2HG2 ILE 43 -8.193 -8.933 -8.916 299 HG23 ILE 43 3HG2 ILE 43 -7.581 -10.435 -9.608 300 HD11 ILE 43 3HD1 ILE 43 -10.454 -7.526 -11.435 301 HD12 ILE 43 1HD1 ILE 43 -9.772 -9.139 -11.639 302 HD13 ILE 43 2HD1 ILE 43 -10.061 -8.502 -10.020 303 HA PRO 44 HA PRO 44 -2.238 -10.057 -10.410 304 HB2 PRO 44 1HB PRO 44 -1.523 -9.713 -7.814 305 HB3 PRO 44 2HB PRO 44 -1.155 -8.532 -9.076 306 HG2 PRO 44 1HG PRO 44 -3.370 -8.523 -7.063 307 HG3 PRO 44 2HG PRO 44 -2.335 -7.185 -7.592 308 HD2 PRO 44 1HD PRO 44 -4.855 -7.532 -8.520 309 HD3 PRO 44 2HD PRO 44 -3.561 -6.830 -9.512 310 H LYS 45 H LYS 45 -3.758 -11.866 -10.686 311 HA LYS 45 HA LYS 45 -5.182 -13.135 -8.692 312 HB2 LYS 45 1HB LYS 45 -3.902 -14.019 -11.226 313 HB3 LYS 45 2HB LYS 45 -4.414 -15.273 -10.104 314 HG2 LYS 45 1HG LYS 45 -6.682 -14.456 -10.159 315 HG3 LYS 45 2HG LYS 45 -6.198 -13.096 -11.175 316 HD2 LYS 45 1HD LYS 45 -5.288 -15.058 -12.712 317 HD3 LYS 45 2HD LYS 45 -6.545 -15.966 -11.868 318 HE2 LYS 45 1HE LYS 45 -6.936 -13.393 -13.396 319 HE3 LYS 45 2HE LYS 45 -7.383 -15.005 -13.953 320 HZ1 LYS 45 3HZ LYS 45 -8.921 -15.173 -12.088 321 HZ2 LYS 45 1HZ LYS 45 -9.289 -13.839 -13.062 322 HZ3 LYS 45 2HZ LYS 45 -8.504 -13.614 -11.581 323 H GLY 46 H GLY 46 -4.698 -15.146 -7.526 324 HA2 GLY 46 1HA GLY 46 -3.361 -16.526 -6.239 325 HA3 GLY 46 2HA GLY 46 -1.956 -15.879 -7.073 326 H MET 47 H MET 47 -1.978 -16.411 -4.332 327 HA MET 47 HA MET 47 -2.623 -14.340 -2.626 328 HB2 MET 47 1HB MET 47 -1.793 -16.509 -1.852 329 HB3 MET 47 2HB MET 47 -0.201 -16.147 -2.505 330 HG2 MET 47 1HG MET 47 0.266 -14.590 -0.865 331 HG3 MET 47 2HG MET 47 -1.435 -14.332 -0.484 332 HE1 MET 47 3HE MET 47 1.759 -15.987 1.013 333 HE2 MET 47 1HE MET 47 0.841 -14.552 1.469 334 HE3 MET 47 2HE MET 47 0.827 -15.974 2.511 335 H TRP 48 H TRP 48 -2.232 -12.264 -3.135 336 HA TRP 48 HA TRP 48 0.413 -11.506 -4.129 337 HB2 TRP 48 1HB TRP 48 -1.579 -10.664 -5.330 338 HB3 TRP 48 2HB TRP 48 -2.099 -9.841 -3.862 339 HD1 TRP 48 HD1 TRP 48 0.566 -9.650 -6.614 340 HE1 TRP 48 HE1 TRP 48 1.593 -7.290 -6.593 341 HE3 TRP 48 HE3 TRP 48 -1.666 -7.830 -2.390 342 HZ2 TRP 48 HZ2 TRP 48 1.473 -4.964 -4.998 343 HZ3 TRP 48 HZ3 TRP 48 -1.156 -5.529 -1.684 344 HH2 TRP 48 HH2 TRP 48 0.381 -4.127 -2.962 345 H ILE 49 H ILE 49 1.714 -9.985 -3.105 346 HA ILE 49 HA ILE 49 0.896 -9.069 -0.446 347 HB ILE 49 HB ILE 49 3.530 -10.450 -0.970 348 HG12 ILE 49 1HG1 ILE 49 1.187 -11.354 0.718 349 HG13 ILE 49 2HG1 ILE 49 1.579 -11.991 -0.875 350 HG21 ILE 49 1HG2 ILE 49 3.855 -8.738 0.644 351 HG22 ILE 49 2HG2 ILE 49 2.364 -9.159 1.485 352 HG23 ILE 49 3HG2 ILE 49 3.742 -10.259 1.528 353 HD11 ILE 49 3HD1 ILE 49 2.501 -12.881 1.612 354 HD12 ILE 49 1HD1 ILE 49 2.996 -13.433 0.012 355 HD13 ILE 49 2HD1 ILE 49 3.883 -12.135 0.810 356 H CYS 50 H CYS 50 1.408 -7.005 -0.105 357 HA CYS 50 HA CYS 50 2.445 -5.330 -2.038 358 HB2 CYS 50 1HB CYS 50 2.528 -3.625 -0.369 359 HB3 CYS 50 2HB CYS 50 1.165 -4.664 0.033 360 HA PRO 51 HA PRO 51 6.810 -5.790 -2.022 361 HB2 PRO 51 1HB PRO 51 7.604 -3.256 -2.583 362 HB3 PRO 51 2HB PRO 51 6.850 -4.314 -3.782 363 HG2 PRO 51 1HG PRO 51 5.622 -2.128 -2.146 364 HG3 PRO 51 2HG PRO 51 5.391 -2.505 -3.863 365 HD2 PRO 51 1HD PRO 51 3.609 -3.232 -1.959 366 HD3 PRO 51 2HD PRO 51 3.896 -4.201 -3.419 367 H ARG 52 H ARG 52 5.233 -3.748 0.226 368 HA ARG 52 HA ARG 52 7.582 -2.873 1.624 369 HB2 ARG 52 1HB ARG 52 4.904 -2.136 1.606 370 HB3 ARG 52 2HB ARG 52 5.128 -2.868 3.189 371 HG2 ARG 52 1HG ARG 52 7.190 -0.938 2.335 372 HG3 ARG 52 2HG ARG 52 5.587 -0.286 2.682 373 HD2 ARG 52 1HD ARG 52 5.695 -0.830 4.899 374 HD3 ARG 52 2HD ARG 52 6.762 -2.206 4.620 375 HE ARG 52 HE ARG 52 7.547 0.439 5.268 376 HH11 ARG 52 1HH1 ARG 52 8.468 -2.315 3.347 377 HH12 ARG 52 2HH1 ARG 52 10.156 -1.925 3.362 378 HH21 ARG 52 1HH2 ARG 52 9.767 0.963 5.295 379 HH22 ARG 52 2HH2 ARG 52 10.894 -0.061 4.471 380 H CYS 53 H CYS 53 5.535 -5.657 1.686 381 HA CYS 53 HA CYS 53 6.421 -6.518 4.308 382 HB2 CYS 53 1HB CYS 53 4.532 -7.584 2.244 383 HB3 CYS 53 2HB CYS 53 5.148 -8.668 3.487 384 H GLN 54 H GLN 54 6.721 -7.723 0.967 385 HA GLN 54 HA GLN 54 8.391 -9.870 1.428 386 HB2 GLN 54 1HB GLN 54 8.436 -7.991 -0.940 387 HB3 GLN 54 2HB GLN 54 9.145 -9.600 -0.902 388 HG2 GLN 54 1HG GLN 54 6.475 -9.900 -0.096 389 HG3 GLN 54 2HG GLN 54 6.459 -8.813 -1.483 390 HE21 GLN 54 1HE2 GLN 54 5.810 -10.039 -3.121 391 HE22 GLN 54 2HE2 GLN 54 6.531 -11.534 -3.600 392 H ASP 55 H ASP 55 9.146 -6.464 1.366 393 HA ASP 55 HA ASP 55 12.003 -6.887 1.344 394 HB2 ASP 55 1HB ASP 55 10.213 -4.659 0.990 395 HB3 ASP 55 2HB ASP 55 11.443 -4.255 2.183 396 H GLN 56 H GLN 56 9.574 -5.807 3.699 397 HA GLN 56 HA GLN 56 10.912 -7.025 5.876 398 HB2 GLN 56 1HB GLN 56 11.545 -4.989 7.114 399 HB3 GLN 56 2HB GLN 56 12.472 -5.179 5.632 400 HG2 GLN 56 1HG GLN 56 11.648 -3.306 4.719 401 HG3 GLN 56 2HG GLN 56 10.030 -3.578 5.364 402 HE21 GLN 56 1HE2 GLN 56 10.270 -3.583 7.980 403 HE22 GLN 56 2HE2 GLN 56 10.943 -2.106 8.573 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -13.182 0.307 18.662 2 HA2 GLY 1 1HA GLY 1 -11.751 2.456 20.084 3 HA3 GLY 1 2HA GLY 1 -10.937 1.532 18.831 4 H SER 2 H SER 2 -11.363 1.948 16.689 5 HA SER 2 HA SER 2 -12.994 4.346 16.189 6 HB2 SER 2 1HB SER 2 -10.948 3.332 14.245 7 HB3 SER 2 2HB SER 2 -11.517 4.981 14.508 8 HG SER 2 HG SER 2 -9.466 3.635 15.698 9 H SER 3 H SER 3 -14.837 2.792 16.186 10 HA SER 3 HA SER 3 -15.073 0.886 14.077 11 HB2 SER 3 1HB SER 3 -16.937 2.043 16.116 12 HB3 SER 3 2HB SER 3 -17.604 1.137 14.758 13 HG SER 3 HG SER 3 -15.619 0.187 16.552 14 H GLY 4 H GLY 4 -14.607 1.994 12.157 15 HA2 GLY 4 1HA GLY 4 -16.850 3.623 11.179 16 HA3 GLY 4 2HA GLY 4 -15.214 4.244 11.016 17 H SER 5 H SER 5 -13.804 2.027 10.271 18 HA SER 5 HA SER 5 -15.091 1.250 7.736 19 HB2 SER 5 1HB SER 5 -12.128 1.678 8.173 20 HB3 SER 5 2HB SER 5 -12.939 1.352 6.642 21 HG SER 5 HG SER 5 -12.777 3.704 8.109 22 H SER 6 H SER 6 -12.811 0.305 10.266 23 HA SER 6 HA SER 6 -12.033 -1.723 10.954 24 HB2 SER 6 1HB SER 6 -14.604 -2.898 9.909 25 HB3 SER 6 2HB SER 6 -13.668 -3.385 11.323 26 HG SER 6 HG SER 6 -15.355 -2.216 12.102 27 H GLY 7 H GLY 7 -10.977 -1.064 8.548 28 HA2 GLY 7 1HA GLY 7 -10.355 -3.644 7.456 29 HA3 GLY 7 2HA GLY 7 -11.302 -2.660 6.351 30 H HIS 8 H HIS 8 -8.612 -1.965 8.585 31 HA HIS 8 HA HIS 8 -6.662 -0.828 8.289 32 HB2 HIS 8 1HB HIS 8 -6.722 -1.882 5.461 33 HB3 HIS 8 2HB HIS 8 -5.309 -1.470 6.428 34 HD2 HIS 8 HD2 HIS 8 -5.861 -4.530 5.159 35 HE1 HIS 8 HE1 HIS 8 -6.257 -5.556 9.257 36 HE2 HIS 8 HE2 HIS 8 -5.789 -6.410 6.934 37 H GLU 9 H GLU 9 -5.494 0.543 6.267 38 HA GLU 9 HA GLU 9 -6.950 2.944 6.204 39 HB2 GLU 9 1HB GLU 9 -4.741 2.221 4.284 40 HB3 GLU 9 2HB GLU 9 -5.191 3.820 4.859 41 HG2 GLU 9 1HG GLU 9 -4.587 2.353 7.154 42 HG3 GLU 9 2HG GLU 9 -3.347 1.924 5.977 43 H ASP 10 H ASP 10 -7.459 4.136 4.128 44 HA ASP 10 HA ASP 10 -8.533 2.358 2.057 45 HB2 ASP 10 1HB ASP 10 -10.155 4.683 3.061 46 HB3 ASP 10 2HB ASP 10 -10.682 3.306 2.099 47 H PHE 11 H PHE 11 -6.195 4.068 2.128 48 HA PHE 11 HA PHE 11 -6.800 5.665 -0.233 49 HB2 PHE 11 1HB PHE 11 -5.248 6.878 2.053 50 HB3 PHE 11 2HB PHE 11 -5.816 7.677 0.591 51 HD1 PHE 11 HD2 PHE 11 -8.298 7.979 0.269 52 HD2 PHE 11 HD1 PHE 11 -6.576 6.784 3.974 53 HE1 PHE 11 HE2 PHE 11 -10.352 8.660 1.439 54 HE2 PHE 11 HE1 PHE 11 -8.629 7.462 5.150 55 HZ PHE 11 HZ PHE 11 -10.519 8.402 3.883 56 H CYS 12 H CYS 12 -5.128 5.801 -1.670 57 HA CYS 12 HA CYS 12 -3.157 3.869 -1.693 58 HB2 CYS 12 1HB CYS 12 -3.913 5.183 -3.668 59 HB3 CYS 12 2HB CYS 12 -3.008 6.564 -3.058 60 H SER 13 H SER 13 -1.086 3.707 -1.002 61 HA SER 13 HA SER 13 -0.178 5.744 0.885 62 HB2 SER 13 1HB SER 13 0.511 2.861 0.417 63 HB3 SER 13 2HB SER 13 1.628 3.898 1.303 64 HG SER 13 HG SER 13 -0.427 4.450 2.537 65 H VAL 14 H VAL 14 -0.049 6.435 -1.844 66 HA VAL 14 HA VAL 14 2.803 6.957 -2.063 67 HB VAL 14 HB VAL 14 1.269 5.653 -4.316 68 HG11 VAL 14 1HG1 VAL 14 3.735 5.653 -5.241 69 HG12 VAL 14 2HG1 VAL 14 2.678 7.049 -5.463 70 HG13 VAL 14 3HG1 VAL 14 3.892 7.055 -4.183 71 HG21 VAL 14 3HG2 VAL 14 2.909 3.836 -4.066 72 HG22 VAL 14 1HG2 VAL 14 3.585 4.656 -2.659 73 HG23 VAL 14 2HG2 VAL 14 1.929 4.049 -2.615 74 H CYS 15 H CYS 15 -0.393 7.362 -3.557 75 HA CYS 15 HA CYS 15 0.363 10.132 -4.225 76 HB2 CYS 15 1HB CYS 15 -1.226 10.049 -6.057 77 HB3 CYS 15 2HB CYS 15 -0.103 8.700 -6.198 78 H ARG 16 H ARG 16 -1.862 8.068 -2.582 79 HA ARG 16 HA ARG 16 -3.583 8.478 -1.153 80 HB2 ARG 16 1HB ARG 16 -1.955 10.924 -1.063 81 HB3 ARG 16 2HB ARG 16 -3.628 11.151 -0.569 82 HG2 ARG 16 1HG ARG 16 -2.300 8.808 0.599 83 HG3 ARG 16 2HG ARG 16 -1.632 10.370 1.077 84 HD2 ARG 16 1HD ARG 16 -4.586 9.867 1.144 85 HD3 ARG 16 2HD ARG 16 -3.550 9.352 2.474 86 HE ARG 16 HE ARG 16 -4.385 12.017 1.882 87 HH11 ARG 16 1HH1 ARG 16 -1.815 10.114 3.258 88 HH12 ARG 16 2HH1 ARG 16 -1.246 11.388 4.286 89 HH21 ARG 16 1HH2 ARG 16 -3.646 13.702 3.231 90 HH22 ARG 16 2HH2 ARG 16 -2.289 13.428 4.270 91 H LYS 17 H LYS 17 -5.014 8.009 -2.939 92 HA LYS 17 HA LYS 17 -6.709 10.306 -3.573 93 HB2 LYS 17 1HB LYS 17 -5.261 8.596 -5.533 94 HB3 LYS 17 2HB LYS 17 -6.904 9.078 -5.933 95 HG2 LYS 17 1HG LYS 17 -6.167 11.458 -5.468 96 HG3 LYS 17 2HG LYS 17 -4.516 10.833 -5.458 97 HD2 LYS 17 1HD LYS 17 -4.473 10.569 -7.694 98 HD3 LYS 17 2HD LYS 17 -6.140 9.994 -7.758 99 HE2 LYS 17 1HE LYS 17 -5.782 12.840 -7.077 100 HE3 LYS 17 2HE LYS 17 -5.328 12.382 -8.717 101 HZ1 LYS 17 3HZ LYS 17 -7.761 13.072 -8.167 102 HZ2 LYS 17 1HZ LYS 17 -7.904 11.468 -7.649 103 HZ3 LYS 17 2HZ LYS 17 -7.462 11.804 -9.246 104 H SER 18 H SER 18 -8.880 9.773 -4.036 105 HA SER 18 HA SER 18 -9.852 7.507 -2.629 106 HB2 SER 18 1HB SER 18 -11.945 8.425 -2.905 107 HB3 SER 18 2HB SER 18 -10.958 9.859 -3.189 108 HG SER 18 HG SER 18 -12.306 9.798 -4.895 109 H GLY 19 H GLY 19 -11.674 6.153 -3.779 110 HA2 GLY 19 1HA GLY 19 -12.299 5.082 -5.882 111 HA3 GLY 19 2HA GLY 19 -10.616 5.211 -6.371 112 H GLN 20 H GLN 20 -10.958 2.881 -6.820 113 HA GLN 20 HA GLN 20 -11.173 1.116 -4.547 114 HB2 GLN 20 1HB GLN 20 -10.833 -0.679 -6.235 115 HB3 GLN 20 2HB GLN 20 -12.170 0.397 -6.618 116 HG2 GLN 20 1HG GLN 20 -11.282 0.864 -8.584 117 HG3 GLN 20 2HG GLN 20 -9.788 1.405 -7.820 118 HE21 GLN 20 1HE2 GLN 20 -8.293 0.540 -9.123 119 HE22 GLN 20 2HE2 GLN 20 -8.122 -1.149 -9.445 120 H LEU 21 H LEU 21 -9.562 0.088 -3.498 121 HA LEU 21 HA LEU 21 -6.824 0.400 -4.528 122 HB2 LEU 21 1HB LEU 21 -7.965 1.254 -1.958 123 HB3 LEU 21 2HB LEU 21 -6.442 0.376 -1.840 124 HG LEU 21 HG LEU 21 -6.548 2.607 -3.785 125 HD11 LEU 21 1HD1 LEU 21 -6.117 3.274 -0.905 126 HD12 LEU 21 2HD1 LEU 21 -7.745 3.288 -1.583 127 HD13 LEU 21 3HD1 LEU 21 -6.499 4.337 -2.260 128 HD21 LEU 21 3HD2 LEU 21 -4.417 2.317 -1.766 129 HD22 LEU 21 1HD2 LEU 21 -4.309 2.616 -3.501 130 HD23 LEU 21 2HD2 LEU 21 -4.596 0.981 -2.904 131 H LEU 22 H LEU 22 -5.329 -1.227 -3.882 132 HA LEU 22 HA LEU 22 -6.573 -3.817 -3.568 133 HB2 LEU 22 1HB LEU 22 -4.556 -3.135 -5.069 134 HB3 LEU 22 2HB LEU 22 -3.618 -3.370 -3.596 135 HG LEU 22 HG LEU 22 -4.374 -5.703 -3.499 136 HD11 LEU 22 1HD1 LEU 22 -5.927 -4.873 -5.916 137 HD12 LEU 22 2HD1 LEU 22 -6.454 -5.794 -4.508 138 HD13 LEU 22 3HD1 LEU 22 -5.411 -6.548 -5.713 139 HD21 LEU 22 3HD2 LEU 22 -3.292 -5.204 -6.251 140 HD22 LEU 22 1HD2 LEU 22 -2.915 -6.511 -5.130 141 HD23 LEU 22 2HD2 LEU 22 -2.327 -4.879 -4.810 142 H MET 23 H MET 23 -5.978 -5.356 -1.950 143 HA MET 23 HA MET 23 -5.061 -4.110 0.559 144 HB2 MET 23 1HB MET 23 -7.059 -6.349 0.189 145 HB3 MET 23 2HB MET 23 -6.485 -5.754 1.741 146 HG2 MET 23 1HG MET 23 -7.351 -3.459 0.845 147 HG3 MET 23 2HG MET 23 -8.321 -4.474 -0.219 148 HE1 MET 23 3HE MET 23 -10.160 -2.675 1.559 149 HE2 MET 23 1HE MET 23 -10.551 -3.958 0.414 150 HE3 MET 23 2HE MET 23 -11.260 -3.973 2.029 151 H CYS 24 H CYS 24 -3.550 -5.165 1.776 152 HA CYS 24 HA CYS 24 -2.088 -7.286 0.440 153 HB2 CYS 24 1HB CYS 24 -0.860 -5.395 1.417 154 HB3 CYS 24 2HB CYS 24 -1.492 -5.804 3.009 155 H ASP 25 H ASP 25 -1.698 -9.327 1.273 156 HA ASP 25 HA ASP 25 -3.685 -10.249 3.209 157 HB2 ASP 25 1HB ASP 25 -2.938 -11.311 0.829 158 HB3 ASP 25 2HB ASP 25 -1.890 -12.213 1.920 159 H THR 26 H THR 26 -1.645 -8.743 4.325 160 HA THR 26 HA THR 26 -0.589 -10.618 6.232 161 HB THR 26 HB THR 26 1.694 -9.072 5.435 162 HG1 THR 26 HG1 THR 26 1.940 -9.684 3.349 163 HG21 THR 26 3HG2 THR 26 1.307 -11.409 6.637 164 HG22 THR 26 1HG2 THR 26 2.798 -11.045 5.772 165 HG23 THR 26 2HG2 THR 26 1.541 -12.008 4.996 166 H CYS 27 H CYS 27 0.320 -7.362 5.083 167 HA CYS 27 HA CYS 27 0.129 -6.377 7.822 168 HB2 CYS 27 1HB CYS 27 1.306 -4.434 7.053 169 HB3 CYS 27 2HB CYS 27 2.109 -5.845 6.372 170 H SER 28 H SER 28 -0.525 -3.768 7.515 171 HA SER 28 HA SER 28 -3.267 -3.872 6.437 172 HB2 SER 28 1HB SER 28 -2.458 -2.071 8.707 173 HB3 SER 28 2HB SER 28 -4.069 -2.633 8.262 174 HG SER 28 HG SER 28 -2.201 -3.796 9.873 175 H ARG 29 H ARG 29 -1.673 -3.151 4.562 176 HA ARG 29 HA ARG 29 -1.889 -0.224 4.439 177 HB2 ARG 29 1HB ARG 29 0.461 -1.786 3.360 178 HB3 ARG 29 2HB ARG 29 0.259 -0.039 3.348 179 HG2 ARG 29 1HG ARG 29 0.370 -1.627 5.893 180 HG3 ARG 29 2HG ARG 29 1.815 -1.000 5.096 181 HD2 ARG 29 1HD ARG 29 1.471 1.021 5.953 182 HD3 ARG 29 2HD ARG 29 -0.165 1.065 5.297 183 HE ARG 29 HE ARG 29 -0.976 0.515 7.369 184 HH11 ARG 29 1HH1 ARG 29 2.454 -0.073 7.283 185 HH12 ARG 29 2HH1 ARG 29 2.576 -0.381 8.983 186 HH21 ARG 29 1HH2 ARG 29 -0.829 0.111 9.609 187 HH22 ARG 29 2HH2 ARG 29 0.708 -0.277 10.306 188 H VAL 30 H VAL 30 -2.775 0.536 2.609 189 HA VAL 30 HA VAL 30 -3.441 -1.415 0.521 190 HB VAL 30 HB VAL 30 -5.099 0.284 -0.235 191 HG11 VAL 30 1HG1 VAL 30 -6.667 -0.543 1.163 192 HG12 VAL 30 2HG1 VAL 30 -5.328 -1.545 1.728 193 HG13 VAL 30 3HG1 VAL 30 -5.772 -0.084 2.611 194 HG21 VAL 30 3HG2 VAL 30 -3.748 2.174 0.890 195 HG22 VAL 30 1HG2 VAL 30 -5.510 2.262 0.916 196 HG23 VAL 30 2HG2 VAL 30 -4.632 1.727 2.349 197 H TYR 31 H TYR 31 -3.056 -1.008 -1.655 198 HA TYR 31 HA TYR 31 -1.558 1.385 -2.385 199 HB2 TYR 31 1HB TYR 31 -0.493 -1.381 -2.980 200 HB3 TYR 31 2HB TYR 31 0.260 0.153 -3.401 201 HD1 TYR 31 HD1 TYR 31 1.317 1.536 -1.668 202 HD2 TYR 31 HD2 TYR 31 -0.332 -2.278 -0.753 203 HE1 TYR 31 HE1 TYR 31 2.549 1.521 0.461 204 HE2 TYR 31 HE2 TYR 31 0.894 -2.304 1.379 205 HH TYR 31 HH TYR 31 2.334 -1.241 2.687 206 H HIS 32 H HIS 32 -2.003 2.078 -4.399 207 HA HIS 32 HA HIS 32 -4.180 1.074 -5.822 208 HB2 HIS 32 1HB HIS 32 -2.021 3.045 -6.394 209 HB3 HIS 32 2HB HIS 32 -2.985 2.471 -7.752 210 HD2 HIS 32 HD2 HIS 32 -5.816 2.450 -5.795 211 HE1 HIS 32 HE1 HIS 32 -5.126 6.633 -5.946 212 HE2 HIS 32 HE2 HIS 32 -6.772 4.815 -5.371 213 H LEU 33 H LEU 33 -3.823 0.675 -8.359 214 HA LEU 33 HA LEU 33 -2.313 -1.811 -8.484 215 HB2 LEU 33 1HB LEU 33 -4.449 -0.543 -10.138 216 HB3 LEU 33 2HB LEU 33 -3.438 -1.801 -10.846 217 HG LEU 33 HG LEU 33 -5.135 -2.134 -8.373 218 HD11 LEU 33 1HD1 LEU 33 -6.451 -1.795 -10.442 219 HD12 LEU 33 2HD1 LEU 33 -6.644 -3.404 -9.746 220 HD13 LEU 33 3HD1 LEU 33 -5.616 -3.173 -11.160 221 HD21 LEU 33 3HD2 LEU 33 -3.032 -3.714 -9.586 222 HD22 LEU 33 1HD2 LEU 33 -4.551 -4.604 -9.485 223 HD23 LEU 33 2HD2 LEU 33 -3.838 -3.911 -8.029 224 H ASP 34 H ASP 34 -2.158 1.444 -9.639 225 HA ASP 34 HA ASP 34 -0.013 0.753 -11.518 226 HB2 ASP 34 1HB ASP 34 -1.721 3.214 -11.180 227 HB3 ASP 34 2HB ASP 34 -0.266 3.217 -12.173 228 H CYS 35 H CYS 35 -0.598 2.127 -8.436 229 HA CYS 35 HA CYS 35 2.028 3.419 -8.358 230 HB2 CYS 35 1HB CYS 35 -0.064 3.394 -6.181 231 HB3 CYS 35 2HB CYS 35 1.308 4.486 -6.342 232 H LEU 36 H LEU 36 2.585 0.909 -8.598 233 HA LEU 36 HA LEU 36 3.106 -0.078 -5.870 234 HB2 LEU 36 1HB LEU 36 2.375 -1.545 -8.375 235 HB3 LEU 36 2HB LEU 36 3.273 -2.352 -7.091 236 HG LEU 36 HG LEU 36 0.527 -1.127 -6.829 237 HD11 LEU 36 1HD1 LEU 36 0.499 -3.865 -6.256 238 HD12 LEU 36 2HD1 LEU 36 1.425 -3.696 -7.746 239 HD13 LEU 36 3HD1 LEU 36 -0.213 -3.050 -7.649 240 HD21 LEU 36 3HD2 LEU 36 0.695 -2.547 -4.645 241 HD22 LEU 36 1HD2 LEU 36 1.385 -0.925 -4.703 242 HD23 LEU 36 2HD2 LEU 36 2.431 -2.335 -4.873 243 H ASP 37 H ASP 37 4.955 -1.898 -6.141 244 HA ASP 37 HA ASP 37 7.047 -1.017 -7.956 245 HB2 ASP 37 1HB ASP 37 7.467 0.461 -6.112 246 HB3 ASP 37 2HB ASP 37 7.306 -0.853 -4.950 247 HA PRO 38 HA PRO 38 7.614 -1.946 -9.490 248 HB2 PRO 38 1HB PRO 38 6.811 -3.841 -11.261 249 HB3 PRO 38 2HB PRO 38 8.485 -3.682 -10.717 250 HG2 PRO 38 1HG PRO 38 6.363 -5.577 -9.786 251 HG3 PRO 38 2HG PRO 38 8.074 -5.893 -10.125 252 HD2 PRO 38 1HD PRO 38 7.125 -5.555 -7.612 253 HD3 PRO 38 2HD PRO 38 8.762 -5.059 -8.089 254 HA PRO 39 HA PRO 39 3.372 -0.887 -9.953 255 HB2 PRO 39 1HB PRO 39 3.183 -0.284 -12.593 256 HB3 PRO 39 2HB PRO 39 4.027 0.746 -11.431 257 HG2 PRO 39 1HG PRO 39 5.150 -1.258 -13.350 258 HG3 PRO 39 2HG PRO 39 5.741 0.366 -12.955 259 HD2 PRO 39 1HD PRO 39 6.836 -1.878 -11.907 260 HD3 PRO 39 2HD PRO 39 6.769 -0.343 -11.018 261 H LEU 40 H LEU 40 1.336 -1.595 -10.682 262 HA LEU 40 HA LEU 40 1.366 -4.194 -12.072 263 HB2 LEU 40 1HB LEU 40 0.055 -3.291 -9.615 264 HB3 LEU 40 2HB LEU 40 -1.014 -4.141 -10.730 265 HG LEU 40 HG LEU 40 1.548 -5.224 -9.558 266 HD11 LEU 40 1HD1 LEU 40 -0.974 -6.588 -9.015 267 HD12 LEU 40 2HD1 LEU 40 -0.879 -4.968 -8.325 268 HD13 LEU 40 3HD1 LEU 40 0.350 -6.169 -7.927 269 HD21 LEU 40 3HD2 LEU 40 0.395 -7.375 -10.553 270 HD22 LEU 40 1HD2 LEU 40 1.439 -6.355 -11.542 271 HD23 LEU 40 2HD2 LEU 40 -0.313 -6.201 -11.664 272 H LYS 41 H LYS 41 -1.052 -4.658 -12.837 273 HA LYS 41 HA LYS 41 -2.183 -2.252 -14.066 274 HB2 LYS 41 1HB LYS 41 -0.676 -3.167 -15.744 275 HB3 LYS 41 2HB LYS 41 -1.408 -4.757 -15.572 276 HG2 LYS 41 1HG LYS 41 -3.467 -3.984 -16.514 277 HG3 LYS 41 2HG LYS 41 -2.891 -2.316 -16.518 278 HD2 LYS 41 1HD LYS 41 -1.827 -2.595 -18.461 279 HD3 LYS 41 2HD LYS 41 -1.080 -4.100 -17.919 280 HE2 LYS 41 1HE LYS 41 -3.035 -5.353 -18.523 281 HE3 LYS 41 2HE LYS 41 -3.928 -3.876 -18.881 282 HZ1 LYS 41 3HZ LYS 41 -2.015 -5.311 -20.500 283 HZ2 LYS 41 1HZ LYS 41 -1.789 -3.634 -20.482 284 HZ3 LYS 41 2HZ LYS 41 -3.274 -4.282 -20.967 285 H THR 42 H THR 42 -2.702 -5.759 -14.409 286 HA THR 42 HA THR 42 -5.552 -5.345 -13.930 287 HB THR 42 HB THR 42 -5.918 -7.529 -14.811 288 HG1 THR 42 HG1 THR 42 -4.217 -8.972 -15.181 289 HG21 THR 42 3HG2 THR 42 -5.354 -5.770 -16.461 290 HG22 THR 42 1HG2 THR 42 -4.921 -7.387 -17.014 291 HG23 THR 42 2HG2 THR 42 -3.672 -6.297 -16.411 292 H ILE 43 H ILE 43 -6.398 -7.674 -12.886 293 HA ILE 43 HA ILE 43 -5.736 -7.399 -10.127 294 HB ILE 43 HB ILE 43 -7.363 -9.552 -11.485 295 HG12 ILE 43 1HG1 ILE 43 -9.171 -7.987 -10.242 296 HG13 ILE 43 2HG1 ILE 43 -7.952 -6.775 -10.622 297 HG21 ILE 43 1HG2 ILE 43 -7.557 -10.520 -9.499 298 HG22 ILE 43 2HG2 ILE 43 -6.425 -9.347 -8.829 299 HG23 ILE 43 3HG2 ILE 43 -8.157 -9.016 -8.801 300 HD11 ILE 43 3HD1 ILE 43 -9.955 -7.526 -12.275 301 HD12 ILE 43 1HD1 ILE 43 -8.437 -6.802 -12.803 302 HD13 ILE 43 2HD1 ILE 43 -8.639 -8.554 -12.843 303 HA PRO 44 HA PRO 44 -2.219 -10.165 -10.349 304 HB2 PRO 44 1HB PRO 44 -1.480 -9.824 -7.759 305 HB3 PRO 44 2HB PRO 44 -1.118 -8.645 -9.024 306 HG2 PRO 44 1HG PRO 44 -3.315 -8.627 -6.991 307 HG3 PRO 44 2HG PRO 44 -2.279 -7.293 -7.530 308 HD2 PRO 44 1HD PRO 44 -4.809 -7.629 -8.435 309 HD3 PRO 44 2HD PRO 44 -3.520 -6.932 -9.438 310 H LYS 45 H LYS 45 -3.667 -12.002 -10.616 311 HA LYS 45 HA LYS 45 -5.130 -13.263 -8.645 312 HB2 LYS 45 1HB LYS 45 -4.331 -13.850 -11.257 313 HB3 LYS 45 2HB LYS 45 -3.735 -15.197 -10.296 314 HG2 LYS 45 1HG LYS 45 -6.037 -15.438 -9.356 315 HG3 LYS 45 2HG LYS 45 -6.573 -14.228 -10.524 316 HD2 LYS 45 1HD LYS 45 -5.013 -16.511 -11.584 317 HD3 LYS 45 2HD LYS 45 -6.645 -16.861 -11.010 318 HE2 LYS 45 1HE LYS 45 -7.231 -16.264 -13.102 319 HE3 LYS 45 2HE LYS 45 -7.103 -14.628 -12.458 320 HZ1 LYS 45 3HZ LYS 45 -5.914 -14.945 -14.577 321 HZ2 LYS 45 1HZ LYS 45 -4.895 -16.066 -13.824 322 HZ3 LYS 45 2HZ LYS 45 -4.892 -14.451 -13.322 323 H GLY 46 H GLY 46 -4.620 -15.339 -7.527 324 HA2 GLY 46 1HA GLY 46 -3.322 -16.639 -6.135 325 HA3 GLY 46 2HA GLY 46 -1.903 -16.010 -6.960 326 H MET 47 H MET 47 -1.978 -16.480 -4.206 327 HA MET 47 HA MET 47 -2.649 -14.366 -2.563 328 HB2 MET 47 1HB MET 47 -1.894 -16.426 -1.605 329 HB3 MET 47 2HB MET 47 -0.332 -16.293 -2.401 330 HG2 MET 47 1HG MET 47 0.458 -14.757 -0.910 331 HG3 MET 47 2HG MET 47 -1.147 -14.139 -0.528 332 HE1 MET 47 3HE MET 47 0.671 -14.176 1.447 333 HE2 MET 47 1HE MET 47 0.105 -15.113 2.830 334 HE3 MET 47 2HE MET 47 1.466 -15.693 1.870 335 H TRP 48 H TRP 48 -2.239 -12.305 -3.117 336 HA TRP 48 HA TRP 48 0.408 -11.576 -4.116 337 HB2 TRP 48 1HB TRP 48 -1.576 -10.704 -5.294 338 HB3 TRP 48 2HB TRP 48 -2.091 -9.895 -3.816 339 HD1 TRP 48 HD1 TRP 48 0.602 -9.694 -6.548 340 HE1 TRP 48 HE1 TRP 48 1.619 -7.329 -6.515 341 HE3 TRP 48 HE3 TRP 48 -1.699 -7.879 -2.358 342 HZ2 TRP 48 HZ2 TRP 48 1.465 -5.003 -4.923 343 HZ3 TRP 48 HZ3 TRP 48 -1.209 -5.575 -1.648 344 HH2 TRP 48 HH2 TRP 48 0.341 -4.168 -2.905 345 H ILE 49 H ILE 49 1.725 -10.033 -3.123 346 HA ILE 49 HA ILE 49 0.967 -9.139 -0.440 347 HB ILE 49 HB ILE 49 3.628 -10.446 -1.009 348 HG12 ILE 49 1HG1 ILE 49 1.300 -11.524 0.595 349 HG13 ILE 49 2HG1 ILE 49 1.730 -12.060 -1.025 350 HG21 ILE 49 1HG2 ILE 49 2.638 -8.774 1.116 351 HG22 ILE 49 2HG2 ILE 49 3.113 -10.356 1.733 352 HG23 ILE 49 3HG2 ILE 49 4.270 -9.377 0.831 353 HD11 ILE 49 3HD1 ILE 49 3.218 -13.478 -0.214 354 HD12 ILE 49 1HD1 ILE 49 4.012 -12.200 0.707 355 HD13 ILE 49 2HD1 ILE 49 2.647 -13.073 1.404 356 H CYS 50 H CYS 50 1.446 -7.066 -0.128 357 HA CYS 50 HA CYS 50 2.464 -5.393 -2.079 358 HB2 CYS 50 1HB CYS 50 2.518 -3.673 -0.425 359 HB3 CYS 50 2HB CYS 50 1.167 -4.726 -0.017 360 HA PRO 51 HA PRO 51 6.834 -5.799 -2.041 361 HB2 PRO 51 1HB PRO 51 7.599 -3.260 -2.621 362 HB3 PRO 51 2HB PRO 51 6.863 -4.338 -3.814 363 HG2 PRO 51 1HG PRO 51 5.601 -2.153 -2.202 364 HG3 PRO 51 2HG PRO 51 5.382 -2.548 -3.917 365 HD2 PRO 51 1HD PRO 51 3.601 -3.281 -2.013 366 HD3 PRO 51 2HD PRO 51 3.906 -4.259 -3.463 367 H ARG 52 H ARG 52 5.213 -3.811 0.206 368 HA ARG 52 HA ARG 52 7.550 -2.878 1.600 369 HB2 ARG 52 1HB ARG 52 4.794 -2.269 1.608 370 HB3 ARG 52 2HB ARG 52 5.181 -2.835 3.227 371 HG2 ARG 52 1HG ARG 52 7.122 -0.939 2.147 372 HG3 ARG 52 2HG ARG 52 5.494 -0.283 2.326 373 HD2 ARG 52 1HD ARG 52 5.465 -1.026 4.664 374 HD3 ARG 52 2HD ARG 52 7.101 -1.656 4.478 375 HE ARG 52 HE ARG 52 7.148 1.030 3.752 376 HH11 ARG 52 1HH1 ARG 52 6.557 -0.902 6.587 377 HH12 ARG 52 2HH1 ARG 52 7.109 0.314 7.691 378 HH21 ARG 52 1HH2 ARG 52 7.879 2.639 5.195 379 HH22 ARG 52 2HH2 ARG 52 7.860 2.328 6.898 380 H CYS 53 H CYS 53 5.534 -5.683 1.668 381 HA CYS 53 HA CYS 53 6.403 -6.517 4.303 382 HB2 CYS 53 1HB CYS 53 4.563 -7.631 2.219 383 HB3 CYS 53 2HB CYS 53 5.175 -8.690 3.485 384 H GLN 54 H GLN 54 6.758 -7.750 0.978 385 HA GLN 54 HA GLN 54 8.463 -9.860 1.479 386 HB2 GLN 54 1HB GLN 54 8.303 -8.006 -0.894 387 HB3 GLN 54 2HB GLN 54 9.328 -9.435 -0.868 388 HG2 GLN 54 1HG GLN 54 6.488 -9.825 -0.157 389 HG3 GLN 54 2HG GLN 54 6.845 -9.431 -1.838 390 HE21 GLN 54 1HE2 GLN 54 6.988 -11.159 -3.056 391 HE22 GLN 54 2HE2 GLN 54 7.637 -12.691 -2.590 392 H ASP 55 H ASP 55 9.154 -6.444 1.398 393 HA ASP 55 HA ASP 55 12.001 -6.723 1.292 394 HB2 ASP 55 1HB ASP 55 10.551 -4.673 0.648 395 HB3 ASP 55 2HB ASP 55 10.578 -4.304 2.370 396 H GLN 56 H GLN 56 9.946 -5.408 3.896 397 HA GLN 56 HA GLN 56 11.544 -6.890 5.849 398 HB2 GLN 56 1HB GLN 56 12.401 -4.493 5.497 399 HB3 GLN 56 2HB GLN 56 10.916 -3.980 6.287 400 HG2 GLN 56 1HG GLN 56 11.599 -4.658 8.326 401 HG3 GLN 56 2HG GLN 56 12.492 -6.038 7.690 402 HE21 GLN 56 1HE2 GLN 56 13.098 -3.714 9.571 403 HE22 GLN 56 2HE2 GLN 56 14.615 -3.114 9.001 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -13.132 6.011 25.830 2 HA2 GLY 1 1HA GLY 1 -10.389 5.160 25.782 3 HA3 GLY 1 2HA GLY 1 -11.374 4.198 26.874 4 H SER 2 H SER 2 -10.917 5.168 23.528 5 HA SER 2 HA SER 2 -12.799 3.122 22.628 6 HB2 SER 2 1HB SER 2 -13.021 5.237 21.502 7 HB3 SER 2 2HB SER 2 -11.295 5.288 21.146 8 HG SER 2 HG SER 2 -13.016 4.451 19.518 9 H SER 3 H SER 3 -12.197 1.510 21.101 10 HA SER 3 HA SER 3 -9.411 1.044 20.527 11 HB2 SER 3 1HB SER 3 -9.962 -1.411 21.612 12 HB3 SER 3 2HB SER 3 -9.037 -0.143 22.416 13 HG SER 3 HG SER 3 -10.757 0.375 23.622 14 H GLY 4 H GLY 4 -9.234 0.063 18.612 15 HA2 GLY 4 1HA GLY 4 -11.524 -1.539 17.659 16 HA3 GLY 4 2HA GLY 4 -10.757 -0.338 16.630 17 H SER 5 H SER 5 -11.050 -3.127 16.058 18 HA SER 5 HA SER 5 -8.208 -3.891 15.932 19 HB2 SER 5 1HB SER 5 -10.362 -5.976 15.948 20 HB3 SER 5 2HB SER 5 -8.670 -6.115 16.427 21 HG SER 5 HG SER 5 -10.559 -5.905 18.071 22 H SER 6 H SER 6 -7.436 -4.259 13.954 23 HA SER 6 HA SER 6 -7.317 -4.531 11.698 24 HB2 SER 6 1HB SER 6 -8.497 -6.278 10.854 25 HB3 SER 6 2HB SER 6 -9.018 -6.486 12.525 26 HG SER 6 HG SER 6 -10.912 -5.460 12.064 27 H GLY 7 H GLY 7 -8.632 -4.044 9.578 28 HA2 GLY 7 1HA GLY 7 -10.690 -2.604 8.995 29 HA3 GLY 7 2HA GLY 7 -9.891 -1.420 10.019 30 H HIS 8 H HIS 8 -7.216 -2.054 9.161 31 HA HIS 8 HA HIS 8 -5.701 -1.351 7.617 32 HB2 HIS 8 1HB HIS 8 -7.873 -2.391 5.799 33 HB3 HIS 8 2HB HIS 8 -6.332 -1.794 5.189 34 HD2 HIS 8 HD2 HIS 8 -5.499 -4.309 4.332 35 HE1 HIS 8 HE1 HIS 8 -5.394 -6.076 8.188 36 HE2 HIS 8 HE2 HIS 8 -4.714 -6.308 5.774 37 H GLU 9 H GLU 9 -5.540 0.098 5.496 38 HA GLU 9 HA GLU 9 -6.856 2.588 6.210 39 HB2 GLU 9 1HB GLU 9 -4.839 2.140 4.011 40 HB3 GLU 9 2HB GLU 9 -5.274 3.664 4.772 41 HG2 GLU 9 1HG GLU 9 -3.953 1.385 6.221 42 HG3 GLU 9 2HG GLU 9 -3.079 2.724 5.481 43 H ASP 10 H ASP 10 -7.210 3.996 4.026 44 HA ASP 10 HA ASP 10 -8.689 2.426 2.061 45 HB2 ASP 10 1HB ASP 10 -9.926 4.638 3.711 46 HB3 ASP 10 2HB ASP 10 -10.661 3.950 2.266 47 H PHE 11 H PHE 11 -6.236 4.107 2.157 48 HA PHE 11 HA PHE 11 -6.866 5.736 -0.176 49 HB2 PHE 11 1HB PHE 11 -5.281 6.914 2.107 50 HB3 PHE 11 2HB PHE 11 -5.863 7.734 0.661 51 HD1 PHE 11 HD1 PHE 11 -8.342 8.059 0.374 52 HD2 PHE 11 HD2 PHE 11 -6.592 6.792 4.041 53 HE1 PHE 11 HE1 PHE 11 -10.381 8.734 1.576 54 HE2 PHE 11 HE2 PHE 11 -8.628 7.463 5.248 55 HZ PHE 11 HZ PHE 11 -10.526 8.435 4.016 56 H CYS 12 H CYS 12 -5.234 5.836 -1.647 57 HA CYS 12 HA CYS 12 -3.254 3.914 -1.689 58 HB2 CYS 12 1HB CYS 12 -4.071 5.223 -3.656 59 HB3 CYS 12 2HB CYS 12 -3.121 6.592 -3.087 60 H SER 13 H SER 13 -1.157 3.777 -1.060 61 HA SER 13 HA SER 13 -0.225 5.831 0.798 62 HB2 SER 13 1HB SER 13 -0.198 3.094 0.962 63 HB3 SER 13 2HB SER 13 1.450 3.440 0.436 64 HG SER 13 HG SER 13 0.171 4.682 2.645 65 H VAL 14 H VAL 14 -0.172 6.505 -1.942 66 HA VAL 14 HA VAL 14 2.666 7.065 -2.231 67 HB VAL 14 HB VAL 14 1.100 5.721 -4.438 68 HG11 VAL 14 1HG1 VAL 14 3.903 6.830 -4.387 69 HG12 VAL 14 2HG1 VAL 14 3.251 5.810 -5.672 70 HG13 VAL 14 3HG1 VAL 14 2.552 7.401 -5.366 71 HG21 VAL 14 3HG2 VAL 14 2.911 3.987 -4.209 72 HG22 VAL 14 1HG2 VAL 14 3.378 4.784 -2.706 73 HG23 VAL 14 2HG2 VAL 14 1.773 4.070 -2.865 74 H CYS 15 H CYS 15 -0.575 7.420 -3.632 75 HA CYS 15 HA CYS 15 0.130 10.189 -4.357 76 HB2 CYS 15 1HB CYS 15 -1.531 10.067 -6.127 77 HB3 CYS 15 2HB CYS 15 -0.382 8.744 -6.301 78 H ARG 16 H ARG 16 -2.015 8.124 -2.613 79 HA ARG 16 HA ARG 16 -3.681 8.539 -1.121 80 HB2 ARG 16 1HB ARG 16 -2.913 11.451 -1.262 81 HB3 ARG 16 2HB ARG 16 -3.679 10.598 0.071 82 HG2 ARG 16 1HG ARG 16 -1.352 9.207 -0.219 83 HG3 ARG 16 2HG ARG 16 -0.855 10.849 -0.628 84 HD2 ARG 16 1HD ARG 16 -1.643 11.686 1.464 85 HD3 ARG 16 2HD ARG 16 -2.419 10.150 1.848 86 HE ARG 16 HE ARG 16 0.354 9.773 1.458 87 HH11 ARG 16 1HH1 ARG 16 -1.929 11.094 3.730 88 HH12 ARG 16 2HH1 ARG 16 -0.911 10.829 5.106 89 HH21 ARG 16 1HH2 ARG 16 1.704 9.419 3.262 90 HH22 ARG 16 2HH2 ARG 16 1.156 9.878 4.839 91 H LYS 17 H LYS 17 -5.246 7.998 -2.712 92 HA LYS 17 HA LYS 17 -6.942 10.268 -3.434 93 HB2 LYS 17 1HB LYS 17 -5.488 8.560 -5.313 94 HB3 LYS 17 2HB LYS 17 -7.217 8.623 -5.632 95 HG2 LYS 17 1HG LYS 17 -5.631 11.128 -5.218 96 HG3 LYS 17 2HG LYS 17 -5.692 10.328 -6.790 97 HD2 LYS 17 1HD LYS 17 -8.274 10.378 -6.390 98 HD3 LYS 17 2HD LYS 17 -7.877 11.668 -5.253 99 HE2 LYS 17 1HE LYS 17 -7.443 13.128 -6.894 100 HE3 LYS 17 2HE LYS 17 -6.535 11.941 -7.829 101 HZ1 LYS 17 3HZ LYS 17 -9.478 11.813 -7.707 102 HZ2 LYS 17 1HZ LYS 17 -8.434 11.199 -8.889 103 HZ3 LYS 17 2HZ LYS 17 -8.712 12.865 -8.788 104 H SER 18 H SER 18 -9.034 9.251 -4.554 105 HA SER 18 HA SER 18 -9.967 7.198 -2.675 106 HB2 SER 18 1HB SER 18 -11.992 8.230 -2.652 107 HB3 SER 18 2HB SER 18 -11.073 9.613 -3.245 108 HG SER 18 HG SER 18 -12.931 8.057 -4.528 109 H GLY 19 H GLY 19 -11.917 5.907 -3.707 110 HA2 GLY 19 1HA GLY 19 -12.720 4.888 -5.775 111 HA3 GLY 19 2HA GLY 19 -11.074 4.987 -6.384 112 H GLN 20 H GLN 20 -10.858 2.811 -6.817 113 HA GLN 20 HA GLN 20 -11.255 0.913 -4.636 114 HB2 GLN 20 1HB GLN 20 -10.905 0.691 -7.592 115 HB3 GLN 20 2HB GLN 20 -10.462 -0.685 -6.590 116 HG2 GLN 20 1HG GLN 20 -12.932 0.011 -5.616 117 HG3 GLN 20 2HG GLN 20 -13.085 0.312 -7.347 118 HE21 GLN 20 1HE2 GLN 20 -12.391 -2.091 -4.906 119 HE22 GLN 20 2HE2 GLN 20 -12.700 -3.471 -5.899 120 H LEU 21 H LEU 21 -9.645 -0.013 -3.518 121 HA LEU 21 HA LEU 21 -6.887 0.370 -4.470 122 HB2 LEU 21 1HB LEU 21 -8.129 1.217 -1.946 123 HB3 LEU 21 2HB LEU 21 -6.590 0.377 -1.768 124 HG LEU 21 HG LEU 21 -6.759 2.637 -3.702 125 HD11 LEU 21 1HD1 LEU 21 -7.812 3.152 -1.329 126 HD12 LEU 21 2HD1 LEU 21 -6.764 4.306 -2.155 127 HD13 LEU 21 3HD1 LEU 21 -6.111 3.280 -0.878 128 HD21 LEU 21 3HD2 LEU 21 -4.722 1.300 -3.519 129 HD22 LEU 21 1HD2 LEU 21 -4.631 1.667 -1.796 130 HD23 LEU 21 2HD2 LEU 21 -4.449 2.959 -2.984 131 H LEU 22 H LEU 22 -5.416 -1.259 -3.953 132 HA LEU 22 HA LEU 22 -6.589 -3.857 -3.571 133 HB2 LEU 22 1HB LEU 22 -4.571 -3.127 -5.059 134 HB3 LEU 22 2HB LEU 22 -3.643 -3.359 -3.579 135 HG LEU 22 HG LEU 22 -4.401 -5.706 -3.505 136 HD11 LEU 22 1HD1 LEU 22 -6.123 -4.768 -5.651 137 HD12 LEU 22 2HD1 LEU 22 -6.265 -6.194 -4.624 138 HD13 LEU 22 3HD1 LEU 22 -5.251 -6.244 -6.066 139 HD21 LEU 22 3HD2 LEU 22 -2.403 -4.640 -4.976 140 HD22 LEU 22 1HD2 LEU 22 -3.296 -5.508 -6.225 141 HD23 LEU 22 2HD2 LEU 22 -2.693 -6.373 -4.811 142 H MET 23 H MET 23 -5.988 -5.370 -1.938 143 HA MET 23 HA MET 23 -5.069 -4.103 0.559 144 HB2 MET 23 1HB MET 23 -7.047 -6.372 0.286 145 HB3 MET 23 2HB MET 23 -6.535 -5.616 1.788 146 HG2 MET 23 1HG MET 23 -7.488 -3.468 0.917 147 HG3 MET 23 2HG MET 23 -8.170 -4.396 -0.416 148 HE1 MET 23 3HE MET 23 -9.572 -4.152 3.893 149 HE2 MET 23 1HE MET 23 -7.963 -3.754 3.289 150 HE3 MET 23 2HE MET 23 -9.353 -2.784 2.801 151 H CYS 24 H CYS 24 -3.470 -5.081 1.677 152 HA CYS 24 HA CYS 24 -2.066 -7.249 0.394 153 HB2 CYS 24 1HB CYS 24 -0.830 -5.370 1.384 154 HB3 CYS 24 2HB CYS 24 -1.474 -5.778 2.971 155 H ASP 25 H ASP 25 -1.695 -9.296 1.218 156 HA ASP 25 HA ASP 25 -3.694 -10.214 3.143 157 HB2 ASP 25 1HB ASP 25 -2.990 -11.270 0.766 158 HB3 ASP 25 2HB ASP 25 -1.891 -12.160 1.818 159 H THR 26 H THR 26 -1.641 -8.726 4.268 160 HA THR 26 HA THR 26 -0.599 -10.623 6.164 161 HB THR 26 HB THR 26 1.681 -9.060 5.385 162 HG1 THR 26 HG1 THR 26 1.000 -10.870 3.346 163 HG21 THR 26 3HG2 THR 26 2.790 -11.165 5.411 164 HG22 THR 26 1HG2 THR 26 1.281 -12.038 5.149 165 HG23 THR 26 2HG2 THR 26 1.572 -11.222 6.685 166 H CYS 27 H CYS 27 0.294 -7.350 5.054 167 HA CYS 27 HA CYS 27 0.139 -6.396 7.800 168 HB2 CYS 27 1HB CYS 27 1.213 -4.390 6.992 169 HB3 CYS 27 2HB CYS 27 2.066 -5.786 6.340 170 H SER 28 H SER 28 -0.588 -3.801 7.547 171 HA SER 28 HA SER 28 -3.362 -3.963 6.563 172 HB2 SER 28 1HB SER 28 -2.417 -2.254 8.869 173 HB3 SER 28 2HB SER 28 -4.080 -2.609 8.400 174 HG SER 28 HG SER 28 -2.362 -4.053 9.946 175 H ARG 29 H ARG 29 -1.902 -3.196 4.620 176 HA ARG 29 HA ARG 29 -2.148 -0.270 4.541 177 HB2 ARG 29 1HB ARG 29 0.150 -1.842 3.360 178 HB3 ARG 29 2HB ARG 29 -0.078 -0.101 3.256 179 HG2 ARG 29 1HG ARG 29 0.009 -1.304 5.961 180 HG3 ARG 29 2HG ARG 29 1.517 -1.224 5.049 181 HD2 ARG 29 1HD ARG 29 0.901 1.235 4.639 182 HD3 ARG 29 2HD ARG 29 -0.262 1.019 5.946 183 HE ARG 29 HE ARG 29 2.254 0.116 6.802 184 HH11 ARG 29 1HH1 ARG 29 0.601 3.069 5.984 185 HH12 ARG 29 2HH1 ARG 29 1.562 4.052 7.039 186 HH21 ARG 29 1HH2 ARG 29 3.525 1.400 8.195 187 HH22 ARG 29 2HH2 ARG 29 3.225 3.102 8.295 188 H VAL 30 H VAL 30 -2.520 0.617 2.441 189 HA VAL 30 HA VAL 30 -3.508 -1.352 0.480 190 HB VAL 30 HB VAL 30 -5.229 0.283 -0.184 191 HG11 VAL 30 1HG1 VAL 30 -6.645 0.065 1.859 192 HG12 VAL 30 2HG1 VAL 30 -5.886 -1.442 1.341 193 HG13 VAL 30 3HG1 VAL 30 -5.229 -0.548 2.713 194 HG21 VAL 30 3HG2 VAL 30 -4.533 2.398 0.361 195 HG22 VAL 30 1HG2 VAL 30 -5.634 2.077 1.702 196 HG23 VAL 30 2HG2 VAL 30 -3.894 1.903 1.928 197 H TYR 31 H TYR 31 -2.990 -1.042 -1.635 198 HA TYR 31 HA TYR 31 -1.623 1.430 -2.404 199 HB2 TYR 31 1HB TYR 31 -0.499 -1.314 -2.996 200 HB3 TYR 31 2HB TYR 31 0.211 0.233 -3.445 201 HD1 TYR 31 HD2 TYR 31 1.213 1.685 -1.717 202 HD2 TYR 31 HD1 TYR 31 -0.241 -2.204 -0.786 203 HE1 TYR 31 HE2 TYR 31 2.475 1.724 0.394 204 HE2 TYR 31 HE1 TYR 31 1.016 -2.175 1.327 205 HH TYR 31 HH TYR 31 2.621 -1.100 2.501 206 H HIS 32 H HIS 32 -2.100 2.107 -4.418 207 HA HIS 32 HA HIS 32 -4.267 1.049 -5.818 208 HB2 HIS 32 1HB HIS 32 -2.149 3.058 -6.434 209 HB3 HIS 32 2HB HIS 32 -3.150 2.475 -7.760 210 HD2 HIS 32 HD2 HIS 32 -5.868 2.420 -5.585 211 HE1 HIS 32 HE1 HIS 32 -5.315 6.608 -5.975 212 HE2 HIS 32 HE2 HIS 32 -6.859 4.777 -5.195 213 H LEU 33 H LEU 33 -3.919 0.659 -8.360 214 HA LEU 33 HA LEU 33 -2.353 -1.791 -8.494 215 HB2 LEU 33 1HB LEU 33 -4.563 -0.590 -10.087 216 HB3 LEU 33 2HB LEU 33 -3.505 -1.765 -10.866 217 HG LEU 33 HG LEU 33 -5.147 -2.265 -8.383 218 HD11 LEU 33 1HD1 LEU 33 -5.707 -2.534 -11.253 219 HD12 LEU 33 2HD1 LEU 33 -6.811 -2.393 -9.885 220 HD13 LEU 33 3HD1 LEU 33 -6.088 -3.953 -10.276 221 HD21 LEU 33 3HD2 LEU 33 -4.491 -4.694 -9.291 222 HD22 LEU 33 1HD2 LEU 33 -3.518 -3.814 -8.111 223 HD23 LEU 33 2HD2 LEU 33 -3.063 -3.799 -9.816 224 H ASP 34 H ASP 34 -2.297 1.463 -9.666 225 HA ASP 34 HA ASP 34 -0.153 0.822 -11.564 226 HB2 ASP 34 1HB ASP 34 -1.927 3.230 -11.210 227 HB3 ASP 34 2HB ASP 34 -0.472 3.290 -12.201 228 H CYS 35 H CYS 35 -0.727 2.165 -8.470 229 HA CYS 35 HA CYS 35 1.871 3.516 -8.424 230 HB2 CYS 35 1HB CYS 35 -0.202 3.463 -6.229 231 HB3 CYS 35 2HB CYS 35 1.149 4.578 -6.405 232 H LEU 36 H LEU 36 2.484 1.025 -8.658 233 HA LEU 36 HA LEU 36 3.039 0.054 -5.932 234 HB2 LEU 36 1HB LEU 36 2.323 -1.435 -8.429 235 HB3 LEU 36 2HB LEU 36 3.244 -2.220 -7.147 236 HG LEU 36 HG LEU 36 0.476 -1.048 -6.873 237 HD11 LEU 36 1HD1 LEU 36 -0.232 -2.986 -7.683 238 HD12 LEU 36 2HD1 LEU 36 0.504 -3.786 -6.295 239 HD13 LEU 36 3HD1 LEU 36 1.418 -3.600 -7.792 240 HD21 LEU 36 3HD2 LEU 36 2.349 -2.348 -4.919 241 HD22 LEU 36 1HD2 LEU 36 0.602 -2.341 -4.675 242 HD23 LEU 36 2HD2 LEU 36 1.485 -0.817 -4.771 243 H ASP 37 H ASP 37 4.923 -1.729 -6.210 244 HA ASP 37 HA ASP 37 6.986 -0.808 -8.039 245 HB2 ASP 37 1HB ASP 37 7.102 -0.451 -5.065 246 HB3 ASP 37 2HB ASP 37 8.585 -0.765 -5.962 247 HA PRO 38 HA PRO 38 7.560 -1.724 -9.578 248 HB2 PRO 38 1HB PRO 38 6.781 -3.633 -11.344 249 HB3 PRO 38 2HB PRO 38 8.456 -3.443 -10.812 250 HG2 PRO 38 1HG PRO 38 6.377 -5.379 -9.868 251 HG3 PRO 38 2HG PRO 38 8.092 -5.662 -10.219 252 HD2 PRO 38 1HD PRO 38 7.154 -5.344 -7.699 253 HD3 PRO 38 2HD PRO 38 8.777 -4.815 -8.188 254 HA PRO 39 HA PRO 39 3.294 -0.748 -10.010 255 HB2 PRO 39 1HB PRO 39 3.075 -0.148 -12.649 256 HB3 PRO 39 2HB PRO 39 3.907 0.898 -11.492 257 HG2 PRO 39 1HG PRO 39 5.055 -1.083 -13.420 258 HG3 PRO 39 2HG PRO 39 5.618 0.552 -13.028 259 HD2 PRO 39 1HD PRO 39 6.763 -1.670 -11.989 260 HD3 PRO 39 2HD PRO 39 6.673 -0.137 -11.099 261 H LEU 40 H LEU 40 1.267 -1.494 -10.730 262 HA LEU 40 HA LEU 40 1.338 -4.089 -12.125 263 HB2 LEU 40 1HB LEU 40 0.029 -3.222 -9.653 264 HB3 LEU 40 2HB LEU 40 -1.027 -4.096 -10.760 265 HG LEU 40 HG LEU 40 1.570 -5.116 -9.611 266 HD11 LEU 40 1HD1 LEU 40 -1.119 -5.100 -8.609 267 HD12 LEU 40 2HD1 LEU 40 0.354 -5.708 -7.855 268 HD13 LEU 40 3HD1 LEU 40 -0.590 -6.754 -8.915 269 HD21 LEU 40 3HD2 LEU 40 0.591 -7.296 -10.597 270 HD22 LEU 40 1HD2 LEU 40 1.412 -6.166 -11.674 271 HD23 LEU 40 2HD2 LEU 40 -0.350 -6.216 -11.627 272 H LYS 41 H LYS 41 -1.077 -4.602 -12.869 273 HA LYS 41 HA LYS 41 -2.263 -2.214 -14.084 274 HB2 LYS 41 1HB LYS 41 -0.786 -3.088 -15.792 275 HB3 LYS 41 2HB LYS 41 -1.439 -4.707 -15.581 276 HG2 LYS 41 1HG LYS 41 -2.319 -3.665 -17.587 277 HG3 LYS 41 2HG LYS 41 -3.604 -3.950 -16.412 278 HD2 LYS 41 1HD LYS 41 -3.850 -1.704 -15.938 279 HD3 LYS 41 2HD LYS 41 -2.206 -1.310 -16.448 280 HE2 LYS 41 1HE LYS 41 -2.816 -1.006 -18.589 281 HE3 LYS 41 2HE LYS 41 -3.906 -2.392 -18.576 282 HZ1 LYS 41 3HZ LYS 41 -4.992 -0.177 -18.881 283 HZ2 LYS 41 1HZ LYS 41 -4.563 0.195 -17.287 284 HZ3 LYS 41 2HZ LYS 41 -5.608 -1.097 -17.601 285 H THR 42 H THR 42 -2.755 -5.719 -14.457 286 HA THR 42 HA THR 42 -5.595 -5.339 -13.900 287 HB THR 42 HB THR 42 -5.954 -7.529 -14.795 288 HG1 THR 42 HG1 THR 42 -4.449 -9.012 -14.707 289 HG21 THR 42 3HG2 THR 42 -3.811 -6.226 -16.474 290 HG22 THR 42 1HG2 THR 42 -5.492 -5.700 -16.419 291 HG23 THR 42 2HG2 THR 42 -5.089 -7.302 -17.035 292 H ILE 43 H ILE 43 -6.396 -7.695 -12.881 293 HA ILE 43 HA ILE 43 -5.669 -7.468 -10.134 294 HB ILE 43 HB ILE 43 -7.309 -9.611 -11.491 295 HG12 ILE 43 1HG1 ILE 43 -8.249 -7.372 -11.827 296 HG13 ILE 43 2HG1 ILE 43 -9.251 -8.310 -10.725 297 HG21 ILE 43 1HG2 ILE 43 -7.458 -10.611 -9.518 298 HG22 ILE 43 2HG2 ILE 43 -6.308 -9.448 -8.859 299 HG23 ILE 43 3HG2 ILE 43 -8.039 -9.119 -8.778 300 HD11 ILE 43 3HD1 ILE 43 -7.448 -6.962 -9.091 301 HD12 ILE 43 1HD1 ILE 43 -7.935 -5.790 -10.315 302 HD13 ILE 43 2HD1 ILE 43 -9.156 -6.597 -9.331 303 HA PRO 44 HA PRO 44 -2.135 -10.196 -10.494 304 HB2 PRO 44 1HB PRO 44 -1.337 -9.898 -7.916 305 HB3 PRO 44 2HB PRO 44 -1.015 -8.692 -9.167 306 HG2 PRO 44 1HG PRO 44 -3.163 -8.733 -7.082 307 HG3 PRO 44 2HG PRO 44 -2.151 -7.379 -7.619 308 HD2 PRO 44 1HD PRO 44 -4.699 -7.721 -8.470 309 HD3 PRO 44 2HD PRO 44 -3.442 -6.994 -9.490 310 H LYS 45 H LYS 45 -3.421 -12.097 -10.765 311 HA LYS 45 HA LYS 45 -4.912 -13.408 -8.846 312 HB2 LYS 45 1HB LYS 45 -3.666 -14.087 -11.376 313 HB3 LYS 45 2HB LYS 45 -3.638 -15.449 -10.264 314 HG2 LYS 45 1HG LYS 45 -5.849 -15.774 -10.409 315 HG3 LYS 45 2HG LYS 45 -6.207 -14.045 -10.404 316 HD2 LYS 45 1HD LYS 45 -4.875 -15.049 -12.829 317 HD3 LYS 45 2HD LYS 45 -6.508 -15.661 -12.557 318 HE2 LYS 45 1HE LYS 45 -7.442 -13.518 -12.613 319 HE3 LYS 45 2HE LYS 45 -5.885 -12.734 -12.355 320 HZ1 LYS 45 3HZ LYS 45 -5.206 -13.331 -14.555 321 HZ2 LYS 45 1HZ LYS 45 -6.708 -12.558 -14.657 322 HZ3 LYS 45 2HZ LYS 45 -6.611 -14.239 -14.808 323 H GLY 46 H GLY 46 -4.393 -15.391 -7.631 324 HA2 GLY 46 1HA GLY 46 -3.096 -16.646 -6.193 325 HA3 GLY 46 2HA GLY 46 -1.669 -15.991 -6.983 326 H MET 47 H MET 47 -1.864 -16.420 -4.212 327 HA MET 47 HA MET 47 -2.632 -14.280 -2.647 328 HB2 MET 47 1HB MET 47 -1.829 -16.416 -1.739 329 HB3 MET 47 2HB MET 47 -0.199 -16.039 -2.279 330 HG2 MET 47 1HG MET 47 -0.039 -14.216 -0.743 331 HG3 MET 47 2HG MET 47 -1.739 -14.375 -0.305 332 HE1 MET 47 3HE MET 47 -1.189 -14.637 2.453 333 HE2 MET 47 1HE MET 47 0.327 -15.426 2.890 334 HE3 MET 47 2HE MET 47 0.334 -14.060 1.774 335 H TRP 48 H TRP 48 -2.221 -12.224 -3.216 336 HA TRP 48 HA TRP 48 0.428 -11.473 -4.169 337 HB2 TRP 48 1HB TRP 48 -1.576 -10.593 -5.320 338 HB3 TRP 48 2HB TRP 48 -2.063 -9.788 -3.830 339 HD1 TRP 48 HD1 TRP 48 0.591 -9.592 -6.600 340 HE1 TRP 48 HE1 TRP 48 1.624 -7.235 -6.571 341 HE3 TRP 48 HE3 TRP 48 -1.636 -7.783 -2.369 342 HZ2 TRP 48 HZ2 TRP 48 1.511 -4.916 -4.965 343 HZ3 TRP 48 HZ3 TRP 48 -1.119 -5.486 -1.654 344 HH2 TRP 48 HH2 TRP 48 0.422 -4.083 -2.927 345 H ILE 49 H ILE 49 1.760 -9.969 -3.153 346 HA ILE 49 HA ILE 49 1.008 -9.096 -0.461 347 HB ILE 49 HB ILE 49 3.668 -10.399 -1.040 348 HG12 ILE 49 1HG1 ILE 49 1.313 -11.512 0.501 349 HG13 ILE 49 2HG1 ILE 49 1.794 -12.026 -1.112 350 HG21 ILE 49 1HG2 ILE 49 4.285 -9.350 0.820 351 HG22 ILE 49 2HG2 ILE 49 2.642 -8.787 1.122 352 HG23 ILE 49 3HG2 ILE 49 3.149 -10.376 1.695 353 HD11 ILE 49 3HD1 ILE 49 4.049 -12.191 0.617 354 HD12 ILE 49 1HD1 ILE 49 2.679 -13.007 1.370 355 HD13 ILE 49 2HD1 ILE 49 3.209 -13.480 -0.245 356 H CYS 50 H CYS 50 1.483 -7.024 -0.143 357 HA CYS 50 HA CYS 50 2.514 -5.339 -2.070 358 HB2 CYS 50 1HB CYS 50 2.564 -3.635 -0.407 359 HB3 CYS 50 2HB CYS 50 1.224 -4.697 0.012 360 HA PRO 51 HA PRO 51 6.883 -5.768 -2.040 361 HB2 PRO 51 1HB PRO 51 7.660 -3.226 -2.595 362 HB3 PRO 51 2HB PRO 51 6.918 -4.288 -3.797 363 HG2 PRO 51 1HG PRO 51 5.669 -2.114 -2.162 364 HG3 PRO 51 2HG PRO 51 5.446 -2.490 -3.881 365 HD2 PRO 51 1HD PRO 51 3.662 -3.233 -1.984 366 HD3 PRO 51 2HD PRO 51 3.961 -4.198 -3.444 367 H ARG 52 H ARG 52 5.269 -3.818 0.238 368 HA ARG 52 HA ARG 52 7.621 -2.916 1.639 369 HB2 ARG 52 1HB ARG 52 4.790 -2.398 1.729 370 HB3 ARG 52 2HB ARG 52 5.383 -2.756 3.345 371 HG2 ARG 52 1HG ARG 52 7.054 -0.897 1.813 372 HG3 ARG 52 2HG ARG 52 5.432 -0.309 2.185 373 HD2 ARG 52 1HD ARG 52 6.531 0.368 4.069 374 HD3 ARG 52 2HD ARG 52 6.024 -1.241 4.582 375 HE ARG 52 HE ARG 52 8.223 -1.819 4.713 376 HH11 ARG 52 1HH1 ARG 52 7.928 0.927 2.592 377 HH12 ARG 52 2HH1 ARG 52 9.638 1.114 2.384 378 HH21 ARG 52 1HH2 ARG 52 10.476 -1.583 4.446 379 HH22 ARG 52 2HH2 ARG 52 11.086 -0.314 3.438 380 H CYS 53 H CYS 53 5.595 -5.703 1.649 381 HA CYS 53 HA CYS 53 6.409 -6.567 4.294 382 HB2 CYS 53 1HB CYS 53 4.586 -7.631 2.174 383 HB3 CYS 53 2HB CYS 53 5.185 -8.728 3.413 384 H GLN 54 H GLN 54 6.801 -7.785 0.966 385 HA GLN 54 HA GLN 54 8.495 -9.901 1.485 386 HB2 GLN 54 1HB GLN 54 8.368 -8.049 -0.893 387 HB3 GLN 54 2HB GLN 54 9.376 -9.490 -0.855 388 HG2 GLN 54 1HG GLN 54 6.572 -9.933 -0.126 389 HG3 GLN 54 2HG GLN 54 6.835 -9.398 -1.785 390 HE21 GLN 54 1HE2 GLN 54 6.619 -11.155 -2.990 391 HE22 GLN 54 2HE2 GLN 54 7.445 -12.652 -2.743 392 H ASP 55 H ASP 55 9.193 -6.486 1.406 393 HA ASP 55 HA ASP 55 12.048 -6.805 1.361 394 HB2 ASP 55 1HB ASP 55 10.135 -4.571 1.422 395 HB3 ASP 55 2HB ASP 55 11.633 -4.268 2.298 396 H GLN 56 H GLN 56 13.377 -5.758 3.148 397 HA GLN 56 HA GLN 56 12.603 -7.004 5.655 398 HB2 GLN 56 1HB GLN 56 15.015 -6.717 4.353 399 HB3 GLN 56 2HB GLN 56 15.120 -5.511 5.629 400 HG2 GLN 56 1HG GLN 56 14.105 -8.071 6.566 401 HG3 GLN 56 2HG GLN 56 15.720 -8.176 5.867 402 HE21 GLN 56 1HE2 GLN 56 17.385 -7.644 7.102 403 HE22 GLN 56 2HE2 GLN 56 17.293 -6.807 8.610 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -9.668 6.072 19.706 2 HA2 GLY 1 1HA GLY 1 -8.436 4.362 20.839 3 HA3 GLY 1 2HA GLY 1 -9.866 4.019 21.801 4 H SER 2 H SER 2 -10.496 2.012 21.374 5 HA SER 2 HA SER 2 -11.193 0.163 20.246 6 HB2 SER 2 1HB SER 2 -12.342 2.242 18.921 7 HB3 SER 2 2HB SER 2 -11.419 1.494 17.617 8 HG SER 2 HG SER 2 -13.731 0.712 18.595 9 H SER 3 H SER 3 -9.486 -1.177 20.148 10 HA SER 3 HA SER 3 -7.780 -1.005 17.759 11 HB2 SER 3 1HB SER 3 -5.829 -1.668 19.092 12 HB3 SER 3 2HB SER 3 -6.508 -0.155 19.691 13 HG SER 3 HG SER 3 -6.504 -2.696 20.854 14 H GLY 4 H GLY 4 -9.767 -2.573 17.400 15 HA2 GLY 4 1HA GLY 4 -8.759 -5.287 17.980 16 HA3 GLY 4 2HA GLY 4 -10.469 -4.901 18.115 17 H SER 5 H SER 5 -11.724 -5.129 16.368 18 HA SER 5 HA SER 5 -10.378 -5.600 13.788 19 HB2 SER 5 1HB SER 5 -12.965 -6.724 13.691 20 HB3 SER 5 2HB SER 5 -11.424 -7.580 13.749 21 HG SER 5 HG SER 5 -13.302 -7.200 15.715 22 H SER 6 H SER 6 -10.503 -3.460 13.095 23 HA SER 6 HA SER 6 -13.229 -2.442 12.627 24 HB2 SER 6 1HB SER 6 -10.684 -1.078 13.374 25 HB3 SER 6 2HB SER 6 -11.808 -0.211 12.327 26 HG SER 6 HG SER 6 -13.002 0.144 14.006 27 H GLY 7 H GLY 7 -9.937 -2.445 11.260 28 HA2 GLY 7 1HA GLY 7 -10.229 -3.419 8.826 29 HA3 GLY 7 2HA GLY 7 -11.044 -1.877 8.614 30 H HIS 8 H HIS 8 -9.130 -2.035 6.945 31 HA HIS 8 HA HIS 8 -6.688 -0.940 8.155 32 HB2 HIS 8 1HB HIS 8 -7.045 -1.864 5.303 33 HB3 HIS 8 2HB HIS 8 -5.533 -1.558 6.153 34 HD2 HIS 8 HD2 HIS 8 -6.352 -4.536 4.831 35 HE1 HIS 8 HE1 HIS 8 -6.434 -5.704 8.909 36 HE2 HIS 8 HE2 HIS 8 -6.220 -6.487 6.524 37 H GLU 9 H GLU 9 -5.581 0.505 6.205 38 HA GLU 9 HA GLU 9 -6.892 2.967 6.337 39 HB2 GLU 9 1HB GLU 9 -4.841 2.117 4.285 40 HB3 GLU 9 2HB GLU 9 -5.234 3.767 4.750 41 HG2 GLU 9 1HG GLU 9 -4.180 1.762 6.716 42 HG3 GLU 9 2HG GLU 9 -3.120 2.756 5.719 43 H ASP 10 H ASP 10 -7.110 4.220 4.046 44 HA ASP 10 HA ASP 10 -8.615 2.633 2.131 45 HB2 ASP 10 1HB ASP 10 -9.837 4.755 3.874 46 HB3 ASP 10 2HB ASP 10 -10.487 4.425 2.271 47 H PHE 11 H PHE 11 -6.133 4.238 2.204 48 HA PHE 11 HA PHE 11 -6.694 5.842 -0.164 49 HB2 PHE 11 1HB PHE 11 -5.080 7.008 2.105 50 HB3 PHE 11 2HB PHE 11 -5.626 7.820 0.641 51 HD1 PHE 11 HD1 PHE 11 -6.611 6.573 3.936 52 HD2 PHE 11 HD2 PHE 11 -7.885 8.622 0.429 53 HE1 PHE 11 HE1 PHE 11 -8.629 7.337 5.119 54 HE2 PHE 11 HE2 PHE 11 -9.904 9.390 1.607 55 HZ PHE 11 HZ PHE 11 -10.278 8.748 3.955 56 H CYS 12 H CYS 12 -5.054 5.853 -1.629 57 HA CYS 12 HA CYS 12 -3.141 3.864 -1.619 58 HB2 CYS 12 1HB CYS 12 -3.874 5.099 -3.635 59 HB3 CYS 12 2HB CYS 12 -2.979 6.509 -3.080 60 H SER 13 H SER 13 -1.042 3.678 -0.996 61 HA SER 13 HA SER 13 -0.055 5.729 0.835 62 HB2 SER 13 1HB SER 13 -0.116 3.015 1.071 63 HB3 SER 13 2HB SER 13 1.528 3.264 0.482 64 HG SER 13 HG SER 13 1.652 3.444 2.664 65 H VAL 14 H VAL 14 0.019 6.377 -1.906 66 HA VAL 14 HA VAL 14 2.874 6.843 -2.205 67 HB VAL 14 HB VAL 14 1.257 5.544 -4.403 68 HG11 VAL 14 1HG1 VAL 14 2.691 6.486 -5.813 69 HG12 VAL 14 2HG1 VAL 14 3.603 7.199 -4.480 70 HG13 VAL 14 3HG1 VAL 14 3.986 5.571 -5.041 71 HG21 VAL 14 3HG2 VAL 14 2.856 3.691 -4.168 72 HG22 VAL 14 1HG2 VAL 14 3.591 4.514 -2.792 73 HG23 VAL 14 2HG2 VAL 14 1.923 3.948 -2.693 74 H CYS 15 H CYS 15 -0.349 7.288 -3.630 75 HA CYS 15 HA CYS 15 0.439 10.038 -4.343 76 HB2 CYS 15 1HB CYS 15 -1.227 9.956 -6.127 77 HB3 CYS 15 2HB CYS 15 -0.075 8.636 -6.304 78 H ARG 16 H ARG 16 -1.815 8.019 -2.668 79 HA ARG 16 HA ARG 16 -3.498 8.471 -1.206 80 HB2 ARG 16 1HB ARG 16 -1.764 10.810 -1.101 81 HB3 ARG 16 2HB ARG 16 -3.434 11.203 -0.718 82 HG2 ARG 16 1HG ARG 16 -3.464 9.572 1.051 83 HG3 ARG 16 2HG ARG 16 -1.845 9.022 0.615 84 HD2 ARG 16 1HD ARG 16 -0.988 10.541 1.987 85 HD3 ARG 16 2HD ARG 16 -1.688 11.811 0.984 86 HE ARG 16 HE ARG 16 -3.688 10.860 2.677 87 HH11 ARG 16 1HH1 ARG 16 -0.653 12.552 2.889 88 HH12 ARG 16 2HH1 ARG 16 -1.085 13.413 4.328 89 HH21 ARG 16 1HH2 ARG 16 -4.268 11.989 4.572 90 HH22 ARG 16 2HH2 ARG 16 -3.141 13.092 5.286 91 H LYS 17 H LYS 17 -5.106 8.036 -2.748 92 HA LYS 17 HA LYS 17 -6.637 10.400 -3.534 93 HB2 LYS 17 1HB LYS 17 -5.365 8.470 -5.366 94 HB3 LYS 17 2HB LYS 17 -7.055 8.816 -5.709 95 HG2 LYS 17 1HG LYS 17 -6.620 11.116 -6.021 96 HG3 LYS 17 2HG LYS 17 -4.999 10.975 -5.337 97 HD2 LYS 17 1HD LYS 17 -4.151 9.945 -7.230 98 HD3 LYS 17 2HD LYS 17 -5.739 9.391 -7.764 99 HE2 LYS 17 1HE LYS 17 -5.526 12.295 -7.598 100 HE3 LYS 17 2HE LYS 17 -4.379 11.580 -8.729 101 HZ1 LYS 17 3HZ LYS 17 -6.051 11.515 -10.167 102 HZ2 LYS 17 1HZ LYS 17 -7.197 11.911 -8.987 103 HZ3 LYS 17 2HZ LYS 17 -6.749 10.298 -9.223 104 H SER 18 H SER 18 -8.794 9.510 -4.631 105 HA SER 18 HA SER 18 -9.836 7.485 -2.768 106 HB2 SER 18 1HB SER 18 -11.870 8.597 -2.725 107 HB3 SER 18 2HB SER 18 -10.753 9.948 -2.916 108 HG SER 18 HG SER 18 -12.574 9.960 -4.383 109 H GLY 19 H GLY 19 -10.896 5.706 -3.509 110 HA2 GLY 19 1HA GLY 19 -12.271 5.081 -5.670 111 HA3 GLY 19 2HA GLY 19 -10.665 5.182 -6.377 112 H GLN 20 H GLN 20 -10.789 2.969 -6.954 113 HA GLN 20 HA GLN 20 -11.077 0.969 -4.900 114 HB2 GLN 20 1HB GLN 20 -10.919 1.031 -7.821 115 HB3 GLN 20 2HB GLN 20 -10.065 -0.332 -7.109 116 HG2 GLN 20 1HG GLN 20 -12.042 -1.098 -6.020 117 HG3 GLN 20 2HG GLN 20 -12.919 0.363 -6.472 118 HE21 GLN 20 1HE2 GLN 20 -13.899 0.469 -8.411 119 HE22 GLN 20 2HE2 GLN 20 -13.874 -0.795 -9.589 120 H LEU 21 H LEU 21 -9.512 0.045 -3.740 121 HA LEU 21 HA LEU 21 -6.725 0.379 -4.621 122 HB2 LEU 21 1HB LEU 21 -8.007 1.232 -2.126 123 HB3 LEU 21 2HB LEU 21 -6.507 0.333 -1.906 124 HG LEU 21 HG LEU 21 -6.492 2.593 -3.835 125 HD11 LEU 21 1HD1 LEU 21 -6.635 4.274 -2.333 126 HD12 LEU 21 2HD1 LEU 21 -5.975 3.304 -1.016 127 HD13 LEU 21 3HD1 LEU 21 -7.665 3.120 -1.485 128 HD21 LEU 21 3HD2 LEU 21 -4.272 2.459 -3.564 129 HD22 LEU 21 1HD2 LEU 21 -4.609 0.883 -2.849 130 HD23 LEU 21 2HD2 LEU 21 -4.397 2.294 -1.812 131 H LEU 22 H LEU 22 -5.253 -1.238 -3.879 132 HA LEU 22 HA LEU 22 -6.528 -3.831 -3.580 133 HB2 LEU 22 1HB LEU 22 -4.535 -3.182 -5.131 134 HB3 LEU 22 2HB LEU 22 -3.570 -3.414 -3.675 135 HG LEU 22 HG LEU 22 -4.400 -5.741 -3.541 136 HD11 LEU 22 1HD1 LEU 22 -5.418 -6.614 -5.717 137 HD12 LEU 22 2HD1 LEU 22 -5.820 -4.931 -6.056 138 HD13 LEU 22 3HD1 LEU 22 -6.472 -5.721 -4.620 139 HD21 LEU 22 3HD2 LEU 22 -2.363 -4.799 -4.983 140 HD22 LEU 22 1HD2 LEU 22 -3.306 -5.528 -6.283 141 HD23 LEU 22 2HD2 LEU 22 -2.774 -6.513 -4.921 142 H MET 23 H MET 23 -5.979 -5.335 -1.939 143 HA MET 23 HA MET 23 -4.983 -4.071 0.530 144 HB2 MET 23 1HB MET 23 -6.948 -6.354 0.275 145 HB3 MET 23 2HB MET 23 -6.409 -5.617 1.777 146 HG2 MET 23 1HG MET 23 -7.386 -3.459 0.949 147 HG3 MET 23 2HG MET 23 -8.097 -4.377 -0.376 148 HE1 MET 23 3HE MET 23 -10.207 -2.788 2.193 149 HE2 MET 23 1HE MET 23 -9.585 -3.565 3.649 150 HE3 MET 23 2HE MET 23 -8.479 -2.744 2.548 151 H CYS 24 H CYS 24 -3.606 -5.250 1.874 152 HA CYS 24 HA CYS 24 -2.105 -7.337 0.495 153 HB2 CYS 24 1HB CYS 24 -0.866 -5.453 1.479 154 HB3 CYS 24 2HB CYS 24 -1.504 -5.863 3.068 155 H ASP 25 H ASP 25 -1.738 -9.381 1.329 156 HA ASP 25 HA ASP 25 -3.739 -10.285 3.258 157 HB2 ASP 25 1HB ASP 25 -2.998 -11.353 0.881 158 HB3 ASP 25 2HB ASP 25 -1.956 -12.262 1.972 159 H THR 26 H THR 26 -1.679 -8.797 4.373 160 HA THR 26 HA THR 26 -0.648 -10.683 6.284 161 HB THR 26 HB THR 26 1.647 -9.150 5.492 162 HG1 THR 26 HG1 THR 26 1.874 -10.411 3.434 163 HG21 THR 26 3HG2 THR 26 2.748 -11.207 5.646 164 HG22 THR 26 1HG2 THR 26 1.312 -12.118 5.181 165 HG23 THR 26 2HG2 THR 26 1.403 -11.371 6.776 166 H CYS 27 H CYS 27 0.284 -7.431 5.143 167 HA CYS 27 HA CYS 27 0.127 -6.448 7.880 168 HB2 CYS 27 1HB CYS 27 1.243 -4.473 7.065 169 HB3 CYS 27 2HB CYS 27 2.070 -5.884 6.414 170 H SER 28 H SER 28 -0.558 -3.841 7.584 171 HA SER 28 HA SER 28 -3.327 -3.973 6.583 172 HB2 SER 28 1HB SER 28 -2.215 -2.613 9.039 173 HB3 SER 28 2HB SER 28 -3.812 -2.247 8.387 174 HG SER 28 HG SER 28 -3.740 -3.894 10.070 175 H ARG 29 H ARG 29 -1.685 -3.241 4.699 176 HA ARG 29 HA ARG 29 -1.928 -0.309 4.583 177 HB2 ARG 29 1HB ARG 29 0.335 -1.940 3.417 178 HB3 ARG 29 2HB ARG 29 0.155 -0.194 3.319 179 HG2 ARG 29 1HG ARG 29 0.509 -1.751 5.872 180 HG3 ARG 29 2HG ARG 29 1.792 -0.898 5.011 181 HD2 ARG 29 1HD ARG 29 1.204 1.048 5.917 182 HD3 ARG 29 2HD ARG 29 -0.480 0.823 5.445 183 HE ARG 29 HE ARG 29 0.041 -0.790 7.673 184 HH11 ARG 29 1HH1 ARG 29 -0.194 2.579 6.828 185 HH12 ARG 29 2HH1 ARG 29 -0.707 3.074 8.408 186 HH21 ARG 29 1HH2 ARG 29 -0.634 -0.151 9.756 187 HH22 ARG 29 2HH2 ARG 29 -0.956 1.520 10.072 188 H VAL 30 H VAL 30 -2.449 0.578 2.571 189 HA VAL 30 HA VAL 30 -3.461 -1.371 0.605 190 HB VAL 30 HB VAL 30 -5.001 0.479 -0.125 191 HG11 VAL 30 1HG1 VAL 30 -5.139 -0.889 2.516 192 HG12 VAL 30 2HG1 VAL 30 -6.387 0.289 2.103 193 HG13 VAL 30 3HG1 VAL 30 -6.125 -1.119 1.072 194 HG21 VAL 30 3HG2 VAL 30 -4.100 1.748 2.460 195 HG22 VAL 30 1HG2 VAL 30 -3.747 2.346 0.839 196 HG23 VAL 30 2HG2 VAL 30 -5.410 2.319 1.426 197 H TYR 31 H TYR 31 -3.074 -1.041 -1.572 198 HA TYR 31 HA TYR 31 -1.486 1.266 -2.385 199 HB2 TYR 31 1HB TYR 31 -0.567 -1.567 -2.911 200 HB3 TYR 31 2HB TYR 31 0.239 -0.091 -3.432 201 HD1 TYR 31 HD1 TYR 31 1.160 1.466 -1.645 202 HD2 TYR 31 HD2 TYR 31 -0.107 -2.509 -0.809 203 HE1 TYR 31 HE1 TYR 31 2.465 1.495 0.440 204 HE2 TYR 31 HE2 TYR 31 1.193 -2.490 1.278 205 HH TYR 31 HH TYR 31 2.186 0.058 2.805 206 H HIS 32 H HIS 32 -1.967 1.949 -4.390 207 HA HIS 32 HA HIS 32 -4.206 1.000 -5.751 208 HB2 HIS 32 1HB HIS 32 -2.020 2.916 -6.353 209 HB3 HIS 32 2HB HIS 32 -2.952 2.324 -7.725 210 HD2 HIS 32 HD2 HIS 32 -5.873 2.367 -5.995 211 HE1 HIS 32 HE1 HIS 32 -5.078 6.534 -5.949 212 HE2 HIS 32 HE2 HIS 32 -6.804 4.741 -5.562 213 H LEU 33 H LEU 33 -3.921 0.555 -8.289 214 HA LEU 33 HA LEU 33 -2.512 -1.987 -8.413 215 HB2 LEU 33 1HB LEU 33 -4.623 -0.645 -10.033 216 HB3 LEU 33 2HB LEU 33 -3.662 -1.924 -10.773 217 HG LEU 33 HG LEU 33 -5.312 -2.243 -8.267 218 HD11 LEU 33 1HD1 LEU 33 -6.266 -1.963 -10.825 219 HD12 LEU 33 2HD1 LEU 33 -7.089 -2.785 -9.500 220 HD13 LEU 33 3HD1 LEU 33 -6.122 -3.711 -10.647 221 HD21 LEU 33 3HD2 LEU 33 -3.381 -3.933 -9.696 222 HD22 LEU 33 1HD2 LEU 33 -4.906 -4.721 -9.289 223 HD23 LEU 33 2HD2 LEU 33 -3.923 -3.992 -8.018 224 H ASP 34 H ASP 34 -2.234 1.247 -9.607 225 HA ASP 34 HA ASP 34 -0.134 0.445 -11.493 226 HB2 ASP 34 1HB ASP 34 -1.626 1.869 -12.604 227 HB3 ASP 34 2HB ASP 34 -1.810 2.921 -11.203 228 H CYS 35 H CYS 35 -0.671 1.996 -8.462 229 HA CYS 35 HA CYS 35 1.991 3.185 -8.414 230 HB2 CYS 35 1HB CYS 35 -0.047 3.169 -6.186 231 HB3 CYS 35 2HB CYS 35 1.327 4.254 -6.382 232 H LEU 36 H LEU 36 2.402 0.603 -8.679 233 HA LEU 36 HA LEU 36 3.025 -0.373 -5.969 234 HB2 LEU 36 1HB LEU 36 2.180 -1.825 -8.448 235 HB3 LEU 36 2HB LEU 36 3.099 -2.651 -7.192 236 HG LEU 36 HG LEU 36 0.433 -1.309 -6.754 237 HD11 LEU 36 1HD1 LEU 36 -0.433 -3.071 -7.803 238 HD12 LEU 36 2HD1 LEU 36 0.109 -4.025 -6.423 239 HD13 LEU 36 3HD1 LEU 36 1.120 -3.904 -7.863 240 HD21 LEU 36 3HD2 LEU 36 1.472 -1.375 -4.681 241 HD22 LEU 36 1HD2 LEU 36 2.300 -2.892 -5.032 242 HD23 LEU 36 2HD2 LEU 36 0.566 -2.889 -4.711 243 H ASP 37 H ASP 37 4.821 -2.237 -6.298 244 HA ASP 37 HA ASP 37 6.872 -1.415 -8.184 245 HB2 ASP 37 1HB ASP 37 6.888 -0.431 -5.536 246 HB3 ASP 37 2HB ASP 37 8.142 -1.665 -5.617 247 HA PRO 38 HA PRO 38 7.372 -2.370 -9.726 248 HB2 PRO 38 1HB PRO 38 6.474 -4.264 -11.451 249 HB3 PRO 38 2HB PRO 38 8.167 -4.136 -10.961 250 HG2 PRO 38 1HG PRO 38 6.035 -5.976 -9.945 251 HG3 PRO 38 2HG PRO 38 7.728 -6.332 -10.334 252 HD2 PRO 38 1HD PRO 38 6.866 -5.950 -7.796 253 HD3 PRO 38 2HD PRO 38 8.497 -5.493 -8.330 254 HA PRO 39 HA PRO 39 3.141 -1.224 -10.069 255 HB2 PRO 39 1HB PRO 39 2.881 -0.649 -12.710 256 HB3 PRO 39 2HB PRO 39 3.784 0.376 -11.587 257 HG2 PRO 39 1HG PRO 39 4.801 -1.675 -13.516 258 HG3 PRO 39 2HG PRO 39 5.440 -0.059 -13.161 259 HD2 PRO 39 1HD PRO 39 6.519 -2.314 -12.120 260 HD3 PRO 39 2HD PRO 39 6.514 -0.767 -11.248 261 H LEU 40 H LEU 40 1.051 -1.796 -10.929 262 HA LEU 40 HA LEU 40 0.979 -4.409 -12.283 263 HB2 LEU 40 1HB LEU 40 -0.236 -3.560 -9.731 264 HB3 LEU 40 2HB LEU 40 -1.270 -4.503 -10.804 265 HG LEU 40 HG LEU 40 1.412 -5.374 -9.726 266 HD11 LEU 40 1HD1 LEU 40 0.360 -6.288 -7.993 267 HD12 LEU 40 2HD1 LEU 40 -0.907 -6.959 -9.019 268 HD13 LEU 40 3HD1 LEU 40 -1.034 -5.301 -8.432 269 HD21 LEU 40 3HD2 LEU 40 0.111 -7.591 -10.660 270 HD22 LEU 40 1HD2 LEU 40 1.384 -6.719 -11.513 271 HD23 LEU 40 2HD2 LEU 40 -0.309 -6.374 -11.866 272 H LYS 41 H LYS 41 -1.478 -4.840 -12.904 273 HA LYS 41 HA LYS 41 -2.689 -2.382 -13.942 274 HB2 LYS 41 1HB LYS 41 -1.259 -3.321 -15.728 275 HB3 LYS 41 2HB LYS 41 -2.145 -4.836 -15.623 276 HG2 LYS 41 1HG LYS 41 -2.997 -3.654 -17.487 277 HG3 LYS 41 2HG LYS 41 -4.218 -3.561 -16.216 278 HD2 LYS 41 1HD LYS 41 -4.201 -1.349 -16.451 279 HD3 LYS 41 2HD LYS 41 -2.549 -1.344 -15.829 280 HE2 LYS 41 1HE LYS 41 -2.198 -2.079 -18.447 281 HE3 LYS 41 2HE LYS 41 -3.538 -0.937 -18.549 282 HZ1 LYS 41 3HZ LYS 41 -2.208 0.773 -18.071 283 HZ2 LYS 41 1HZ LYS 41 -0.929 -0.262 -18.463 284 HZ3 LYS 41 2HZ LYS 41 -1.388 -0.060 -16.848 285 H THR 42 H THR 42 -3.243 -5.876 -14.364 286 HA THR 42 HA THR 42 -6.052 -5.474 -13.679 287 HB THR 42 HB THR 42 -6.463 -7.667 -14.565 288 HG1 THR 42 HG1 THR 42 -3.645 -7.904 -14.431 289 HG21 THR 42 3HG2 THR 42 -5.312 -5.586 -16.065 290 HG22 THR 42 1HG2 THR 42 -6.359 -6.879 -16.647 291 HG23 THR 42 2HG2 THR 42 -4.607 -7.082 -16.677 292 H ILE 43 H ILE 43 -6.831 -7.833 -12.650 293 HA ILE 43 HA ILE 43 -5.984 -7.640 -9.936 294 HB ILE 43 HB ILE 43 -7.701 -9.754 -11.243 295 HG12 ILE 43 1HG1 ILE 43 -8.648 -7.518 -11.517 296 HG13 ILE 43 2HG1 ILE 43 -9.593 -8.442 -10.354 297 HG21 ILE 43 1HG2 ILE 43 -6.586 -9.625 -8.651 298 HG22 ILE 43 2HG2 ILE 43 -8.311 -9.294 -8.497 299 HG23 ILE 43 3HG2 ILE 43 -7.765 -10.778 -9.277 300 HD11 ILE 43 3HD1 ILE 43 -9.359 -6.230 -9.525 301 HD12 ILE 43 1HD1 ILE 43 -8.343 -7.280 -8.538 302 HD13 ILE 43 2HD1 ILE 43 -7.614 -6.257 -9.776 303 HA PRO 44 HA PRO 44 -2.493 -10.395 -10.475 304 HB2 PRO 44 1HB PRO 44 -1.580 -10.130 -7.932 305 HB3 PRO 44 2HB PRO 44 -1.303 -8.914 -9.184 306 HG2 PRO 44 1HG PRO 44 -3.358 -8.957 -7.008 307 HG3 PRO 44 2HG PRO 44 -2.358 -7.607 -7.576 308 HD2 PRO 44 1HD PRO 44 -4.944 -7.919 -8.318 309 HD3 PRO 44 2HD PRO 44 -3.726 -7.192 -9.385 310 H LYS 45 H LYS 45 -3.872 -12.258 -10.705 311 HA LYS 45 HA LYS 45 -5.243 -13.574 -8.696 312 HB2 LYS 45 1HB LYS 45 -4.652 -14.076 -11.345 313 HB3 LYS 45 2HB LYS 45 -3.850 -15.399 -10.508 314 HG2 LYS 45 1HG LYS 45 -6.223 -15.473 -9.270 315 HG3 LYS 45 2HG LYS 45 -6.724 -14.822 -10.832 316 HD2 LYS 45 1HD LYS 45 -6.895 -17.133 -11.112 317 HD3 LYS 45 2HD LYS 45 -5.338 -16.737 -11.843 318 HE2 LYS 45 1HE LYS 45 -5.129 -18.719 -10.468 319 HE3 LYS 45 2HE LYS 45 -4.214 -17.392 -9.755 320 HZ1 LYS 45 3HZ LYS 45 -5.767 -17.126 -8.068 321 HZ2 LYS 45 1HZ LYS 45 -5.666 -18.807 -8.229 322 HZ3 LYS 45 2HZ LYS 45 -6.978 -17.971 -8.893 323 H GLY 46 H GLY 46 -4.738 -15.205 -7.231 324 HA2 GLY 46 1HA GLY 46 -3.324 -16.681 -6.071 325 HA3 GLY 46 2HA GLY 46 -1.948 -16.003 -6.930 326 H MET 47 H MET 47 -1.951 -16.502 -4.172 327 HA MET 47 HA MET 47 -2.629 -14.412 -2.500 328 HB2 MET 47 1HB MET 47 -1.756 -16.567 -1.707 329 HB3 MET 47 2HB MET 47 -0.167 -16.160 -2.341 330 HG2 MET 47 1HG MET 47 0.205 -14.540 -0.719 331 HG3 MET 47 2HG MET 47 -1.508 -14.404 -0.329 332 HE1 MET 47 3HE MET 47 0.724 -14.797 2.157 333 HE2 MET 47 1HE MET 47 1.431 -16.413 2.130 334 HE3 MET 47 2HE MET 47 1.678 -15.321 0.768 335 H TRP 48 H TRP 48 -2.271 -12.340 -3.051 336 HA TRP 48 HA TRP 48 0.354 -11.558 -4.076 337 HB2 TRP 48 1HB TRP 48 -1.682 -10.754 -5.243 338 HB3 TRP 48 2HB TRP 48 -2.164 -9.906 -3.776 339 HD1 TRP 48 HD1 TRP 48 0.413 -9.752 -6.610 340 HE1 TRP 48 HE1 TRP 48 1.439 -7.392 -6.655 341 HE3 TRP 48 HE3 TRP 48 -1.679 -7.877 -2.339 342 HZ2 TRP 48 HZ2 TRP 48 1.371 -5.046 -5.086 343 HZ3 TRP 48 HZ3 TRP 48 -1.147 -5.567 -1.681 344 HH2 TRP 48 HH2 TRP 48 0.348 -4.182 -3.027 345 H ILE 49 H ILE 49 1.689 -10.090 -3.058 346 HA ILE 49 HA ILE 49 0.890 -9.138 -0.401 347 HB ILE 49 HB ILE 49 3.560 -10.441 -0.940 348 HG12 ILE 49 1HG1 ILE 49 1.210 -11.498 0.646 349 HG13 ILE 49 2HG1 ILE 49 1.695 -12.075 -0.944 350 HG21 ILE 49 1HG2 ILE 49 2.329 -9.577 1.671 351 HG22 ILE 49 2HG2 ILE 49 3.958 -10.199 1.410 352 HG23 ILE 49 3HG2 ILE 49 3.502 -8.624 0.761 353 HD11 ILE 49 3HD1 ILE 49 3.112 -13.490 -0.018 354 HD12 ILE 49 1HD1 ILE 49 3.946 -12.167 0.796 355 HD13 ILE 49 2HD1 ILE 49 2.576 -12.957 1.575 356 H CYS 50 H CYS 50 1.380 -7.066 -0.082 357 HA CYS 50 HA CYS 50 2.379 -5.395 -2.043 358 HB2 CYS 50 1HB CYS 50 2.447 -3.673 -0.392 359 HB3 CYS 50 2HB CYS 50 1.101 -4.726 0.030 360 HA PRO 51 HA PRO 51 6.750 -5.797 -2.047 361 HB2 PRO 51 1HB PRO 51 7.506 -3.257 -2.639 362 HB3 PRO 51 2HB PRO 51 6.760 -4.338 -3.822 363 HG2 PRO 51 1HG PRO 51 5.511 -2.152 -2.202 364 HG3 PRO 51 2HG PRO 51 5.276 -2.550 -3.914 365 HD2 PRO 51 1HD PRO 51 3.514 -3.282 -1.992 366 HD3 PRO 51 2HD PRO 51 3.806 -4.262 -3.443 367 H ARG 52 H ARG 52 5.150 -3.790 0.205 368 HA ARG 52 HA ARG 52 7.499 -2.859 1.577 369 HB2 ARG 52 1HB ARG 52 4.647 -2.418 1.721 370 HB3 ARG 52 2HB ARG 52 5.311 -2.700 3.325 371 HG2 ARG 52 1HG ARG 52 7.064 -0.926 2.012 372 HG3 ARG 52 2HG ARG 52 5.422 -0.348 1.724 373 HD2 ARG 52 1HD ARG 52 4.968 -0.372 4.106 374 HD3 ARG 52 2HD ARG 52 6.567 -1.041 4.426 375 HE ARG 52 HE ARG 52 6.602 1.469 3.016 376 HH11 ARG 52 1HH1 ARG 52 6.542 -0.081 6.132 377 HH12 ARG 52 2HH1 ARG 52 7.230 1.274 6.964 378 HH21 ARG 52 1HH2 ARG 52 7.508 3.259 4.100 379 HH22 ARG 52 2HH2 ARG 52 7.779 3.173 5.807 380 H CYS 53 H CYS 53 5.490 -5.667 1.668 381 HA CYS 53 HA CYS 53 6.383 -6.493 4.298 382 HB2 CYS 53 1HB CYS 53 4.519 -7.608 2.236 383 HB3 CYS 53 2HB CYS 53 5.146 -8.669 3.493 384 H GLN 54 H GLN 54 6.719 -7.711 0.967 385 HA GLN 54 HA GLN 54 8.416 -9.832 1.447 386 HB2 GLN 54 1HB GLN 54 8.377 -7.956 -0.921 387 HB3 GLN 54 2HB GLN 54 9.223 -9.497 -0.887 388 HG2 GLN 54 1HG GLN 54 6.359 -9.559 -0.185 389 HG3 GLN 54 2HG GLN 54 6.753 -9.185 -1.862 390 HE21 GLN 54 1HE2 GLN 54 5.749 -11.166 -2.441 391 HE22 GLN 54 2HE2 GLN 54 6.586 -12.666 -2.255 392 H ASP 55 H ASP 55 9.119 -6.419 1.399 393 HA ASP 55 HA ASP 55 11.931 -6.591 1.175 394 HB2 ASP 55 1HB ASP 55 10.975 -4.473 0.747 395 HB3 ASP 55 2HB ASP 55 10.074 -4.482 2.261 396 H GLN 56 H GLN 56 10.129 -5.616 4.090 397 HA GLN 56 HA GLN 56 12.019 -7.215 5.684 398 HB2 GLN 56 1HB GLN 56 11.074 -4.394 6.122 399 HB3 GLN 56 2HB GLN 56 11.666 -5.375 7.456 400 HG2 GLN 56 1HG GLN 56 13.798 -5.665 6.275 401 HG3 GLN 56 2HG GLN 56 13.201 -4.635 4.975 402 HE21 GLN 56 1HE2 GLN 56 12.420 -2.450 5.718 403 HE22 GLN 56 2HE2 GLN 56 13.382 -1.643 6.904
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