NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21059 | 2h1z | 7117 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -1.646 -13.967 1.328 2 2H GLY 1 2HT GLY 1 -1.386 -15.623 1.554 3 3H GLY 1 3HT GLY 1 -0.116 -14.530 1.781 4 1HA GLY 1 1HA GLY 1 -2.381 -15.150 3.528 5 2HA GLY 1 2HA GLY 1 -0.694 -14.885 3.944 6 H SER 2 H SER 2 -0.114 -12.950 4.721 7 HA SER 2 HA SER 2 -2.153 -10.982 5.186 8 1HB SER 2 2HB SER 2 -0.484 -11.435 6.910 9 2HB SER 2 1HB SER 2 0.810 -10.950 5.814 10 HG SER 2 HG SER 2 0.486 -9.014 6.535 11 H CYS 3 H CYS 3 -2.461 -9.061 4.195 12 HA CYS 3 HA CYS 3 -0.467 -7.972 2.404 13 1HB CYS 3 2HB CYS 3 -2.010 -7.858 0.477 14 2HB CYS 3 1HB CYS 3 -1.618 -9.516 0.916 15 H VAL 4 H VAL 4 -1.273 -5.873 1.433 16 HA VAL 4 HA VAL 4 -2.564 -4.355 3.534 17 HB VAL 4 HB VAL 4 -1.250 -3.466 0.968 18 1HG1 VAL 4 1HG1 VAL 4 -1.201 -1.230 2.175 19 2HG1 VAL 4 2HG1 VAL 4 -2.412 -1.912 3.260 20 3HG1 VAL 4 3HG1 VAL 4 -2.760 -1.756 1.539 21 1HG2 VAL 4 1HG2 VAL 4 -0.278 -3.961 3.723 22 2HG2 VAL 4 2HG2 VAL 4 0.383 -2.573 2.859 23 3HG2 VAL 4 3HG2 VAL 4 0.534 -4.190 2.174 24 HA PRO 5 HA PRO 5 -6.470 -4.460 1.335 25 1HB PRO 5 2HB PRO 5 -7.260 -2.118 2.921 26 2HB PRO 5 1HB PRO 5 -7.946 -3.742 2.908 27 1HG PRO 5 2HG PRO 5 -6.521 -2.797 4.994 28 2HG PRO 5 1HG PRO 5 -6.511 -4.508 4.531 29 1HD PRO 5 2HD PRO 5 -4.466 -2.386 4.000 30 2HD PRO 5 1HD PRO 5 -4.237 -4.089 4.449 31 H VAL 6 H VAL 6 -7.175 -3.499 -0.500 32 HA VAL 6 HA VAL 6 -5.715 -1.470 -1.728 33 HB VAL 6 HB VAL 6 -8.527 -2.401 -2.335 34 1HG1 VAL 6 1HG1 VAL 6 -8.229 -0.294 -3.401 35 2HG1 VAL 6 2HG1 VAL 6 -8.003 -1.535 -4.632 36 3HG1 VAL 6 3HG1 VAL 6 -6.603 -0.724 -3.932 37 1HG2 VAL 6 1HG2 VAL 6 -5.821 -3.415 -2.958 38 2HG2 VAL 6 2HG2 VAL 6 -7.014 -3.475 -4.255 39 3HG2 VAL 6 3HG2 VAL 6 -7.334 -4.289 -2.723 40 H ASP 7 H ASP 7 -6.221 0.682 -2.158 41 HA ASP 7 HA ASP 7 -6.985 2.768 -1.773 42 1HB ASP 7 2HB ASP 7 -9.208 1.531 -0.145 43 2HB ASP 7 1HB ASP 7 -9.153 3.153 -0.824 44 H GLN 8 H GLN 8 -5.550 0.774 0.344 45 HA GLN 8 HA GLN 8 -5.590 2.779 2.490 46 1HB GLN 8 2HB GLN 8 -4.833 -0.127 2.789 47 2HB GLN 8 1HB GLN 8 -5.067 1.051 4.073 48 1HG GLN 8 2HG GLN 8 -7.186 -0.068 2.256 49 2HG GLN 8 1HG GLN 8 -6.955 -0.435 3.965 50 1HE2 GLN 8 1HE2 GLN 8 -7.573 1.055 5.508 51 2HE2 GLN 8 2HE2 GLN 8 -8.574 2.415 5.140 52 HA PRO 9 HA PRO 9 -1.338 3.571 1.762 53 1HB PRO 9 2HB PRO 9 -0.333 3.840 4.292 54 2HB PRO 9 1HB PRO 9 -1.265 5.075 3.449 55 1HG PRO 9 2HG PRO 9 -2.147 3.118 5.523 56 2HG PRO 9 1HG PRO 9 -2.612 4.813 5.317 57 1HD PRO 9 2HD PRO 9 -4.197 2.756 4.559 58 2HD PRO 9 1HD PRO 9 -4.191 4.319 3.720 59 H CYS 10 H CYS 10 0.509 2.544 1.436 60 HA CYS 10 HA CYS 10 1.064 0.084 2.947 61 1HB CYS 10 2HB CYS 10 2.008 -0.808 0.731 62 2HB CYS 10 1HB CYS 10 0.262 -0.773 0.912 63 H SER 11 H SER 11 3.417 -0.662 2.115 64 HA SER 11 HA SER 11 5.191 1.657 1.993 65 1HB SER 11 2HB SER 11 6.016 -0.488 3.873 66 2HB SER 11 1HB SER 11 6.281 1.252 3.959 67 HG SER 11 HG SER 11 3.849 -0.109 4.499 68 H LEU 12 H LEU 12 6.995 1.340 0.806 69 HA LEU 12 HA LEU 12 7.149 -0.765 -1.004 70 1HB LEU 12 2HB LEU 12 9.463 0.045 -1.449 71 2HB LEU 12 1HB LEU 12 8.231 1.290 -1.509 72 HG LEU 12 HG LEU 12 8.906 1.869 0.884 73 1HD1 LEU 12 1HD1 LEU 12 11.518 1.190 0.986 74 2HD1 LEU 12 2HD1 LEU 12 10.832 -0.258 0.251 75 3HD1 LEU 12 3HD1 LEU 12 10.232 0.309 1.809 76 1HD2 LEU 12 1HD2 LEU 12 9.608 2.956 -1.401 77 2HD2 LEU 12 2HD2 LEU 12 11.196 2.328 -0.963 78 3HD2 LEU 12 3HD2 LEU 12 10.368 3.455 0.110 79 H ASN 13 H ASN 13 8.233 -0.630 2.274 80 HA ASN 13 HA ASN 13 9.878 -3.024 1.884 81 1HB ASN 13 2HB ASN 13 10.742 -2.541 4.166 82 2HB ASN 13 1HB ASN 13 11.043 -1.240 3.018 83 1HD2 ASN 13 1HD2 ASN 13 10.959 -1.115 5.897 84 2HD2 ASN 13 2HD2 ASN 13 9.717 0.013 6.307 85 H THR 14 H THR 14 6.735 -2.389 2.563 86 HA THR 14 HA THR 14 6.517 -4.442 4.632 87 HB THR 14 HB THR 14 4.113 -3.649 4.739 88 HG1 THR 14 1HG THR 14 3.603 -2.467 3.077 89 1HG2 THR 14 1HG2 THR 14 4.686 -1.405 5.766 90 2HG2 THR 14 2HG2 THR 14 6.363 -1.773 5.362 91 3HG2 THR 14 3HG2 THR 14 5.468 -2.828 6.456 92 H GLN 15 H GLN 15 4.193 -5.585 4.296 93 HA GLN 15 HA GLN 15 4.556 -7.396 2.186 94 1HB GLN 15 2HB GLN 15 2.007 -6.863 3.718 95 2HB GLN 15 1HB GLN 15 2.425 -8.333 2.852 96 1HG GLN 15 2HG GLN 15 4.284 -7.460 4.976 97 2HG GLN 15 1HG GLN 15 2.709 -8.069 5.483 98 1HE2 GLN 15 1HE2 GLN 15 5.458 -9.161 5.748 99 2HE2 GLN 15 2HE2 GLN 15 5.377 -10.752 5.082 100 HA PRO 16 HA PRO 16 2.635 -5.501 -1.313 101 1HB PRO 16 2HB PRO 16 1.260 -7.590 -2.424 102 2HB PRO 16 1HB PRO 16 3.008 -7.379 -2.569 103 1HG PRO 16 2HG PRO 16 1.460 -9.123 -0.695 104 2HG PRO 16 1HG PRO 16 2.942 -9.488 -1.598 105 1HD PRO 16 2HD PRO 16 2.992 -8.850 1.015 106 2HD PRO 16 1HD PRO 16 4.287 -8.355 -0.093 107 H CYS 17 H CYS 17 0.356 -5.542 -2.507 108 HA CYS 17 HA CYS 17 -1.570 -4.827 -0.451 109 1HB CYS 17 2HB CYS 17 -1.767 -4.506 -3.449 110 2HB CYS 17 1HB CYS 17 -2.842 -3.798 -2.249 111 H CYS 18 H CYS 18 -3.940 -5.275 -1.182 112 HA CYS 18 HA CYS 18 -4.161 -8.179 -1.543 113 1HB CYS 18 2HB CYS 18 -6.198 -6.239 -0.425 114 2HB CYS 18 1HB CYS 18 -6.313 -7.993 -0.417 115 H ASP 19 H ASP 19 -6.222 -8.897 -2.637 116 HA ASP 19 HA ASP 19 -7.412 -9.073 -4.574 117 1HB ASP 19 2HB ASP 19 -7.673 -6.079 -4.219 118 2HB ASP 19 1HB ASP 19 -8.687 -7.082 -5.253 119 H ASP 20 H ASP 20 -4.550 -8.698 -4.792 120 HA ASP 20 HA ASP 20 -2.962 -8.460 -6.386 121 1HB ASP 20 2HB ASP 20 -5.477 -8.615 -7.964 122 2HB ASP 20 1HB ASP 20 -4.036 -8.048 -8.798 123 H ALA 21 H ALA 21 -3.732 -6.182 -4.898 124 HA ALA 21 HA ALA 21 -3.871 -3.927 -6.698 125 1HB ALA 21 1HB ALA 21 -3.961 -4.329 -3.779 126 2HB ALA 21 2HB ALA 21 -4.916 -3.263 -4.808 127 3HB ALA 21 3HB ALA 21 -3.286 -2.794 -4.324 128 H THR 22 H THR 22 -2.245 -2.064 -6.116 129 HA THR 22 HA THR 22 0.473 -3.122 -5.878 130 HB THR 22 HB THR 22 -0.461 -1.250 -8.062 131 HG1 THR 22 1HG THR 22 0.052 -2.982 -9.422 132 1HG2 THR 22 1HG2 THR 22 1.676 -0.556 -7.930 133 2HG2 THR 22 2HG2 THR 22 1.950 -2.016 -8.880 134 3HG2 THR 22 3HG2 THR 22 2.226 -2.033 -7.138 135 H CYS 23 H CYS 23 1.904 -1.778 -4.864 136 HA CYS 23 HA CYS 23 0.783 0.436 -3.398 137 1HB CYS 23 2HB CYS 23 2.544 -1.299 -2.599 138 2HB CYS 23 1HB CYS 23 3.703 -0.293 -3.458 139 H THR 24 H THR 24 0.550 2.363 -4.349 140 HA THR 24 HA THR 24 2.658 3.285 -6.179 141 HB THR 24 HB THR 24 -0.333 3.669 -6.325 142 HG1 THR 24 1HG THR 24 -0.181 2.213 -7.805 143 1HG2 THR 24 1HG2 THR 24 0.683 5.805 -6.892 144 2HG2 THR 24 2HG2 THR 24 -0.003 5.023 -8.316 145 3HG2 THR 24 3HG2 THR 24 1.741 5.001 -8.052 146 H GLN 25 H GLN 25 3.001 5.540 -6.297 147 HA GLN 25 HA GLN 25 3.029 6.839 -3.755 148 1HB GLN 25 2HB GLN 25 4.890 7.143 -5.261 149 2HB GLN 25 1HB GLN 25 3.826 7.738 -6.529 150 1HG GLN 25 2HG GLN 25 3.463 9.763 -5.430 151 2HG GLN 25 1HG GLN 25 4.085 9.146 -3.902 152 1HE2 GLN 25 1HE2 GLN 25 4.771 11.256 -6.190 153 2HE2 GLN 25 2HE2 GLN 25 6.497 11.191 -6.207 154 H GLU 26 H GLU 26 1.770 8.464 -3.029 155 HA GLU 26 HA GLU 26 -0.088 9.837 -4.772 156 1HB GLU 26 2HB GLU 26 -1.124 8.189 -2.460 157 2HB GLU 26 1HB GLU 26 -2.081 9.213 -3.519 158 1HG GLU 26 2HG GLU 26 -1.436 7.766 -5.423 159 2HG GLU 26 1HG GLU 26 -0.616 6.701 -4.283 160 H ARG 27 H ARG 27 -1.638 11.188 -3.160 161 HA ARG 27 HA ARG 27 0.207 12.522 -1.288 162 1HB ARG 27 2HB ARG 27 -1.999 13.577 -3.038 163 2HB ARG 27 1HB ARG 27 -1.437 14.487 -1.642 164 1HG ARG 27 2HG ARG 27 0.684 13.539 -3.436 165 2HG ARG 27 1HG ARG 27 -0.424 14.719 -4.138 166 1HD ARG 27 2HD ARG 27 0.475 15.376 -1.428 167 2HD ARG 27 1HD ARG 27 1.769 15.318 -2.623 168 HE ARG 27 HE ARG 27 -0.178 17.345 -2.353 169 1HH1 ARG 27 1HH1 ARG 27 1.561 15.554 -4.803 170 2HH1 ARG 27 2HH1 ARG 27 1.456 16.823 -5.976 171 1HH2 ARG 27 1HH2 ARG 27 -0.311 19.007 -3.898 172 2HH2 ARG 27 2HH2 ARG 27 0.395 18.780 -5.463 173 H ASN 28 H ASN 28 -0.522 13.152 0.743 174 HA ASN 28 HA ASN 28 -2.959 11.774 1.636 175 1HB ASN 28 2HB ASN 28 -1.993 11.846 3.884 176 2HB ASN 28 1HB ASN 28 -0.876 11.090 2.753 177 1HD2 ASN 28 1HD2 ASN 28 0.152 11.931 5.044 178 2HD2 ASN 28 2HD2 ASN 28 1.090 13.366 4.829 179 H GLU 29 H GLU 29 -3.652 12.987 3.880 180 HA GLU 29 HA GLU 29 -4.976 15.317 3.043 181 1HB GLU 29 2HB GLU 29 -5.451 15.578 5.532 182 2HB GLU 29 1HB GLU 29 -5.989 14.085 4.781 183 1HG GLU 29 2HG GLU 29 -4.289 12.833 5.784 184 2HG GLU 29 1HG GLU 29 -3.354 14.271 6.194 185 H ASN 30 H ASN 30 -1.920 14.800 4.654 186 HA ASN 30 HA ASN 30 -1.558 17.524 5.454 187 1HB ASN 30 2HB ASN 30 0.461 15.288 5.165 188 2HB ASN 30 1HB ASN 30 0.757 16.832 5.958 189 1HD2 ASN 30 1HD2 ASN 30 0.436 16.925 8.061 190 2HD2 ASN 30 2HD2 ASN 30 -0.479 15.799 8.997 191 H GLY 31 H GLY 31 -0.850 15.649 2.595 192 1HA GLY 31 2HA GLY 31 -0.620 16.789 0.487 193 2HA GLY 31 1HA GLY 31 0.167 18.109 1.335 194 H HIS 32 H HIS 32 1.442 15.346 2.635 195 HA HIS 32 HA HIS 32 3.849 15.630 1.039 196 1HB HIS 32 2HB HIS 32 3.741 15.439 3.614 197 2HB HIS 32 1HB HIS 32 3.496 13.717 3.336 198 HD1 HIS 32 1HD HIS 32 5.744 13.039 4.352 199 HD2 HIS 32 2HD HIS 32 6.088 15.702 1.181 200 HE1 HIS 32 1HE HIS 32 8.187 13.066 3.759 201 HE2 HIS 32 2HE HIS 32 8.384 14.754 1.899 202 H THR 33 H THR 33 4.977 13.765 0.168 203 HA THR 33 HA THR 33 3.262 12.108 -1.361 204 HB THR 33 HB THR 33 6.236 11.833 -0.892 205 HG1 THR 33 1HG THR 33 4.746 13.275 -2.820 206 1HG2 THR 33 1HG2 THR 33 6.387 10.519 -2.801 207 2HG2 THR 33 2HG2 THR 33 4.758 10.939 -3.334 208 3HG2 THR 33 3HG2 THR 33 4.984 9.869 -1.951 209 H VAL 34 H VAL 34 2.645 10.032 -1.123 210 HA VAL 34 HA VAL 34 3.742 8.430 1.059 211 HB VAL 34 HB VAL 34 1.480 7.808 1.848 212 1HG1 VAL 34 1HG1 VAL 34 1.757 10.786 2.069 213 2HG1 VAL 34 2HG1 VAL 34 2.924 9.696 2.821 214 3HG1 VAL 34 3HG1 VAL 34 1.224 9.627 3.287 215 1HG2 VAL 34 1HG2 VAL 34 0.615 9.993 -0.037 216 2HG2 VAL 34 2HG2 VAL 34 -0.403 9.353 1.251 217 3HG2 VAL 34 3HG2 VAL 34 0.131 8.298 -0.057 218 H TYR 35 H TYR 35 2.640 6.184 1.007 219 HA TYR 35 HA TYR 35 2.326 5.386 -1.815 220 1HB TYR 35 2HB TYR 35 3.360 3.563 0.348 221 2HB TYR 35 1HB TYR 35 3.494 3.377 -1.396 222 HD1 TYR 35 1HD TYR 35 4.474 6.071 -2.163 223 HD2 TYR 35 2HD TYR 35 5.581 3.545 1.076 224 HE1 TYR 35 1HE TYR 35 6.696 7.123 -2.111 225 HE2 TYR 35 2HE TYR 35 7.806 4.591 1.138 226 HH TYR 35 HH TYR 35 9.095 6.319 -1.268 227 H TYR 36 H TYR 36 0.424 4.515 -2.335 228 HA TYR 36 HA TYR 36 -1.182 3.302 -0.182 229 1HB TYR 36 2HB TYR 36 -1.904 5.360 -2.192 230 2HB TYR 36 1HB TYR 36 -3.117 4.131 -1.846 231 HD1 TYR 36 1HD TYR 36 -0.866 6.556 -0.119 232 HD2 TYR 36 2HD TYR 36 -4.547 4.424 -0.040 233 HE1 TYR 36 1HE TYR 36 -1.534 7.796 1.897 234 HE2 TYR 36 2HE TYR 36 -5.226 5.658 1.976 235 HH TYR 36 HH TYR 36 -3.705 6.927 3.956 236 H CYS 37 H CYS 37 -2.909 1.847 -1.008 237 HA CYS 37 HA CYS 37 -1.798 0.136 -3.122 238 1HB CYS 37 2HB CYS 37 -3.645 -0.369 -0.802 239 2HB CYS 37 1HB CYS 37 -3.566 -1.498 -2.145 240 H ARG 38 H ARG 38 -2.823 -0.238 -4.989 241 HA ARG 38 HA ARG 38 -5.587 0.717 -5.284 242 1HB ARG 38 2HB ARG 38 -3.360 1.103 -7.292 243 2HB ARG 38 1HB ARG 38 -5.038 1.583 -7.510 244 1HG ARG 38 2HG ARG 38 -3.253 2.657 -5.341 245 2HG ARG 38 1HG ARG 38 -3.499 3.440 -6.904 246 1HD ARG 38 2HD ARG 38 -6.046 3.132 -6.221 247 2HD ARG 38 1HD ARG 38 -5.352 3.153 -4.600 248 HE ARG 38 HE ARG 38 -4.327 5.308 -6.097 249 1HH1 ARG 38 1HH1 ARG 38 -7.287 4.266 -4.551 250 2HH1 ARG 38 2HH1 ARG 38 -7.849 5.878 -4.270 251 1HH2 ARG 38 1HH2 ARG 38 -5.073 7.423 -5.724 252 2HH2 ARG 38 2HH2 ARG 38 -6.596 7.668 -4.935 253 H ALA 39 H ALA 39 -6.913 -0.740 -6.109 254 HA ALA 39 HA ALA 39 -5.996 -3.335 -6.827 255 1HB ALA 39 1HB ALA 39 -8.069 -3.553 -5.952 256 2HB ALA 39 2HB ALA 39 -8.554 -3.386 -7.639 257 3HB ALA 39 3HB ALA 39 -8.611 -1.990 -6.562 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -0.245 -14.265 1.257 2 2H GLY 1 2HT GLY 1 0.427 -15.642 1.973 3 3H GLY 1 3HT GLY 1 0.897 -14.104 2.495 4 1HA GLY 1 1HA GLY 1 -1.850 -15.197 2.748 5 2HA GLY 1 2HA GLY 1 -0.657 -15.213 4.039 6 H SER 2 H SER 2 0.362 -12.952 4.414 7 HA SER 2 HA SER 2 -1.840 -11.163 4.969 8 1HB SER 2 2HB SER 2 1.060 -10.580 5.536 9 2HB SER 2 1HB SER 2 -0.367 -10.010 6.401 10 HG SER 2 HG SER 2 1.037 -11.922 7.201 11 H CYS 3 H CYS 3 -2.226 -9.200 4.057 12 HA CYS 3 HA CYS 3 -0.316 -8.017 2.232 13 1HB CYS 3 2HB CYS 3 -1.910 -7.919 0.349 14 2HB CYS 3 1HB CYS 3 -1.467 -9.573 0.754 15 H VAL 4 H VAL 4 -1.209 -5.927 1.322 16 HA VAL 4 HA VAL 4 -2.500 -4.485 3.481 17 HB VAL 4 HB VAL 4 -1.229 -3.513 0.924 18 1HG1 VAL 4 1HG1 VAL 4 -1.229 -1.298 2.168 19 2HG1 VAL 4 2HG1 VAL 4 -2.417 -2.029 3.247 20 3HG1 VAL 4 3HG1 VAL 4 -2.776 -1.852 1.530 21 1HG2 VAL 4 1HG2 VAL 4 0.273 -4.600 2.597 22 2HG2 VAL 4 2HG2 VAL 4 -0.182 -3.336 3.739 23 3HG2 VAL 4 3HG2 VAL 4 0.660 -2.915 2.247 24 HA PRO 5 HA PRO 5 -6.429 -4.629 1.330 25 1HB PRO 5 2HB PRO 5 -7.234 -2.312 2.947 26 2HB PRO 5 1HB PRO 5 -7.903 -3.944 2.919 27 1HG PRO 5 2HG PRO 5 -6.469 -3.012 5.006 28 2HG PRO 5 1HG PRO 5 -6.442 -4.716 4.518 29 1HD PRO 5 2HD PRO 5 -4.428 -2.562 4.003 30 2HD PRO 5 1HD PRO 5 -4.175 -4.269 4.419 31 H VAL 6 H VAL 6 -7.151 -3.678 -0.496 32 HA VAL 6 HA VAL 6 -5.748 -1.606 -1.719 33 HB VAL 6 HB VAL 6 -8.533 -2.613 -2.320 34 1HG1 VAL 6 1HG1 VAL 6 -8.314 -0.497 -3.380 35 2HG1 VAL 6 2HG1 VAL 6 -8.037 -1.722 -4.618 36 3HG1 VAL 6 3HG1 VAL 6 -6.671 -0.861 -3.908 37 1HG2 VAL 6 1HG2 VAL 6 -5.804 -3.550 -2.944 38 2HG2 VAL 6 2HG2 VAL 6 -6.982 -3.621 -4.253 39 3HG2 VAL 6 3HG2 VAL 6 -7.298 -4.463 -2.736 40 H ASP 7 H ASP 7 -6.310 0.534 -2.137 41 HA ASP 7 HA ASP 7 -7.128 2.598 -1.743 42 1HB ASP 7 2HB ASP 7 -9.315 1.296 -0.118 43 2HB ASP 7 1HB ASP 7 -9.303 2.921 -0.787 44 H GLN 8 H GLN 8 -5.641 0.632 0.367 45 HA GLN 8 HA GLN 8 -5.727 2.632 2.518 46 1HB GLN 8 2HB GLN 8 -4.895 -0.252 2.811 47 2HB GLN 8 1HB GLN 8 -5.155 0.916 4.097 48 1HG GLN 8 2HG GLN 8 -7.245 -0.273 2.292 49 2HG GLN 8 1HG GLN 8 -7.007 -0.604 4.007 50 1HE2 GLN 8 1HE2 GLN 8 -9.305 0.490 2.466 51 2HE2 GLN 8 2HE2 GLN 8 -9.709 1.971 3.256 52 HA PRO 9 HA PRO 9 -1.502 3.543 1.782 53 1HB PRO 9 2HB PRO 9 -0.501 3.825 4.315 54 2HB PRO 9 1HB PRO 9 -1.460 5.042 3.474 55 1HG PRO 9 2HG PRO 9 -2.298 3.061 5.543 56 2HG PRO 9 1HG PRO 9 -2.804 4.744 5.338 57 1HD PRO 9 2HD PRO 9 -4.339 2.650 4.578 58 2HD PRO 9 1HD PRO 9 -4.369 4.213 3.740 59 H CYS 10 H CYS 10 0.364 2.561 1.440 60 HA CYS 10 HA CYS 10 0.990 0.113 2.943 61 1HB CYS 10 2HB CYS 10 1.953 -0.748 0.723 62 2HB CYS 10 1HB CYS 10 0.207 -0.758 0.905 63 H SER 11 H SER 11 3.361 -0.566 2.105 64 HA SER 11 HA SER 11 5.063 1.816 2.029 65 1HB SER 11 2HB SER 11 4.919 -0.202 4.199 66 2HB SER 11 1HB SER 11 6.535 0.296 3.700 67 HG SER 11 HG SER 11 6.225 2.083 4.738 68 H LEU 12 H LEU 12 7.289 1.345 1.398 69 HA LEU 12 HA LEU 12 7.355 -0.605 -0.708 70 1HB LEU 12 2HB LEU 12 9.767 0.239 -0.930 71 2HB LEU 12 1HB LEU 12 8.458 1.342 -1.299 72 HG LEU 12 HG LEU 12 8.755 2.494 0.801 73 1HD1 LEU 12 1HD1 LEU 12 10.869 1.769 2.145 74 2HD1 LEU 12 2HD1 LEU 12 10.559 0.198 1.408 75 3HD1 LEU 12 3HD1 LEU 12 9.327 0.959 2.415 76 1HD2 LEU 12 1HD2 LEU 12 10.363 2.754 -1.266 77 2HD2 LEU 12 2HD2 LEU 12 11.563 2.180 -0.109 78 3HD2 LEU 12 3HD2 LEU 12 10.639 3.643 0.231 79 H ASN 13 H ASN 13 8.186 -0.660 2.605 80 HA ASN 13 HA ASN 13 9.930 -2.984 2.183 81 1HB ASN 13 2HB ASN 13 10.795 -2.563 4.445 82 2HB ASN 13 1HB ASN 13 11.013 -1.164 3.397 83 1HD2 ASN 13 1HD2 ASN 13 9.415 -2.444 6.172 84 2HD2 ASN 13 2HD2 ASN 13 8.710 -0.963 6.714 85 H THR 14 H THR 14 6.796 -2.557 2.579 86 HA THR 14 HA THR 14 6.503 -4.603 4.669 87 HB THR 14 HB THR 14 4.144 -3.832 4.822 88 HG1 THR 14 1HG THR 14 3.442 -2.160 3.645 89 1HG2 THR 14 1HG2 THR 14 4.541 -1.651 5.853 90 2HG2 THR 14 2HG2 THR 14 6.170 -1.637 5.176 91 3HG2 THR 14 3HG2 THR 14 5.722 -2.856 6.368 92 H GLN 15 H GLN 15 4.183 -5.728 4.207 93 HA GLN 15 HA GLN 15 4.641 -7.452 2.025 94 1HB GLN 15 2HB GLN 15 2.066 -7.076 3.559 95 2HB GLN 15 1HB GLN 15 2.549 -8.491 2.640 96 1HG GLN 15 2HG GLN 15 3.862 -7.470 5.145 97 2HG GLN 15 1HG GLN 15 2.803 -8.874 5.016 98 1HE2 GLN 15 1HE2 GLN 15 3.776 -10.755 4.856 99 2HE2 GLN 15 2HE2 GLN 15 5.380 -11.030 4.274 100 HA PRO 16 HA PRO 16 2.684 -5.457 -1.397 101 1HB PRO 16 2HB PRO 16 1.342 -7.530 -2.584 102 2HB PRO 16 1HB PRO 16 3.082 -7.268 -2.738 103 1HG PRO 16 2HG PRO 16 1.599 -9.130 -0.926 104 2HG PRO 16 1HG PRO 16 3.084 -9.414 -1.853 105 1HD PRO 16 2HD PRO 16 3.138 -8.891 0.783 106 2HD PRO 16 1HD PRO 16 4.408 -8.305 -0.311 107 H CYS 17 H CYS 17 0.402 -5.491 -2.587 108 HA CYS 17 HA CYS 17 -1.524 -4.873 -0.506 109 1HB CYS 17 2HB CYS 17 -1.756 -4.506 -3.497 110 2HB CYS 17 1HB CYS 17 -2.835 -3.841 -2.276 111 H CYS 18 H CYS 18 -3.891 -5.360 -1.222 112 HA CYS 18 HA CYS 18 -4.054 -8.263 -1.619 113 1HB CYS 18 2HB CYS 18 -6.119 -6.381 -0.458 114 2HB CYS 18 1HB CYS 18 -6.202 -8.137 -0.473 115 H ASP 19 H ASP 19 -6.111 -9.014 -2.695 116 HA ASP 19 HA ASP 19 -7.323 -9.198 -4.618 117 1HB ASP 19 2HB ASP 19 -7.648 -6.237 -4.096 118 2HB ASP 19 1HB ASP 19 -8.567 -7.128 -5.307 119 H ASP 20 H ASP 20 -4.468 -8.751 -4.870 120 HA ASP 20 HA ASP 20 -2.915 -8.468 -6.495 121 1HB ASP 20 2HB ASP 20 -5.282 -8.132 -8.347 122 2HB ASP 20 1HB ASP 20 -3.628 -8.495 -8.823 123 H ALA 21 H ALA 21 -3.710 -6.230 -4.958 124 HA ALA 21 HA ALA 21 -3.915 -3.951 -6.720 125 1HB ALA 21 1HB ALA 21 -3.948 -4.395 -3.803 126 2HB ALA 21 2HB ALA 21 -4.953 -3.348 -4.803 127 3HB ALA 21 3HB ALA 21 -3.329 -2.836 -4.345 128 H THR 22 H THR 22 -2.313 -2.065 -6.093 129 HA THR 22 HA THR 22 0.423 -3.075 -5.903 130 HB THR 22 HB THR 22 -0.563 -1.216 -8.074 131 HG1 THR 22 1HG THR 22 -0.193 -2.899 -9.439 132 1HG2 THR 22 1HG2 THR 22 1.533 -0.485 -8.129 133 2HG2 THR 22 2HG2 THR 22 1.919 -2.064 -8.814 134 3HG2 THR 22 3HG2 THR 22 2.111 -1.783 -7.084 135 H CYS 23 H CYS 23 1.826 -1.715 -4.882 136 HA CYS 23 HA CYS 23 0.675 0.474 -3.405 137 1HB CYS 23 2HB CYS 23 2.467 -1.234 -2.617 138 2HB CYS 23 1HB CYS 23 3.607 -0.208 -3.480 139 H THR 24 H THR 24 0.407 2.401 -4.350 140 HA THR 24 HA THR 24 2.471 3.340 -6.220 141 HB THR 24 HB THR 24 -0.516 3.786 -6.240 142 HG1 THR 24 1HG THR 24 -0.447 2.282 -7.672 143 1HG2 THR 24 1HG2 THR 24 0.392 5.892 -6.875 144 2HG2 THR 24 2HG2 THR 24 -0.133 5.064 -8.341 145 3HG2 THR 24 3HG2 THR 24 1.581 5.126 -7.927 146 H GLN 25 H GLN 25 2.839 5.587 -6.322 147 HA GLN 25 HA GLN 25 2.943 6.856 -3.755 148 1HB GLN 25 2HB GLN 25 4.820 7.107 -5.238 149 2HB GLN 25 1HB GLN 25 3.789 7.715 -6.525 150 1HG GLN 25 2HG GLN 25 3.466 9.763 -5.448 151 2HG GLN 25 1HG GLN 25 4.074 9.149 -3.914 152 1HE2 GLN 25 1HE2 GLN 25 4.809 11.208 -6.237 153 2HE2 GLN 25 2HE2 GLN 25 6.534 11.100 -6.252 154 H GLU 26 H GLU 26 1.605 8.357 -2.963 155 HA GLU 26 HA GLU 26 -0.174 9.830 -4.741 156 1HB GLU 26 2HB GLU 26 -1.215 8.260 -2.379 157 2HB GLU 26 1HB GLU 26 -2.162 9.286 -3.446 158 1HG GLU 26 2HG GLU 26 -1.565 7.781 -5.328 159 2HG GLU 26 1HG GLU 26 -0.780 6.715 -4.164 160 H ARG 27 H ARG 27 -1.659 11.264 -3.151 161 HA ARG 27 HA ARG 27 0.237 12.584 -1.323 162 1HB ARG 27 2HB ARG 27 -1.960 13.676 -3.067 163 2HB ARG 27 1HB ARG 27 -1.314 14.599 -1.716 164 1HG ARG 27 2HG ARG 27 0.971 13.899 -2.976 165 2HG ARG 27 1HG ARG 27 -0.139 14.010 -4.343 166 1HD ARG 27 2HD ARG 27 0.288 16.159 -2.270 167 2HD ARG 27 1HD ARG 27 1.023 16.138 -3.873 168 HE ARG 27 HE ARG 27 -1.626 16.950 -3.217 169 1HH1 ARG 27 1HH1 ARG 27 0.275 15.437 -5.736 170 2HH1 ARG 27 2HH1 ARG 27 -0.802 15.918 -7.002 171 1HH2 ARG 27 1HH2 ARG 27 -3.035 17.576 -4.887 172 2HH2 ARG 27 2HH2 ARG 27 -2.679 17.130 -6.522 173 H ASN 28 H ASN 28 -0.490 13.335 0.682 174 HA ASN 28 HA ASN 28 -2.971 12.058 1.612 175 1HB ASN 28 2HB ASN 28 -1.992 12.102 3.855 176 2HB ASN 28 1HB ASN 28 -0.921 11.279 2.725 177 1HD2 ASN 28 1HD2 ASN 28 0.170 12.077 4.996 178 2HD2 ASN 28 2HD2 ASN 28 1.175 13.464 4.766 179 H GLU 29 H GLU 29 -3.585 13.330 3.849 180 HA GLU 29 HA GLU 29 -4.782 15.725 2.980 181 1HB GLU 29 2HB GLU 29 -4.451 14.405 5.655 182 2HB GLU 29 1HB GLU 29 -5.148 16.014 5.542 183 1HG GLU 29 2HG GLU 29 -6.979 15.242 4.275 184 2HG GLU 29 1HG GLU 29 -6.209 13.684 3.977 185 H ASN 30 H ASN 30 -1.772 15.049 4.618 186 HA ASN 30 HA ASN 30 -1.273 17.753 5.417 187 1HB ASN 30 2HB ASN 30 0.581 15.374 5.177 188 2HB ASN 30 1HB ASN 30 1.027 16.920 5.892 189 1HD2 ASN 30 1HD2 ASN 30 -0.569 13.932 6.342 190 2HD2 ASN 30 2HD2 ASN 30 -1.046 14.174 7.984 191 H GLY 31 H GLY 31 -0.638 15.835 2.570 192 1HA GLY 31 2HA GLY 31 -0.317 16.939 0.460 193 2HA GLY 31 1HA GLY 31 0.507 18.235 1.307 194 H HIS 32 H HIS 32 1.609 15.370 2.606 195 HA HIS 32 HA HIS 32 4.070 15.574 1.076 196 1HB HIS 32 2HB HIS 32 3.394 14.878 3.761 197 2HB HIS 32 1HB HIS 32 4.214 13.500 3.036 198 HD1 HIS 32 1HD HIS 32 4.752 17.120 3.910 199 HD2 HIS 32 2HD HIS 32 6.931 13.825 2.618 200 HE1 HIS 32 1HE HIS 32 7.168 17.793 4.100 201 HE2 HIS 32 2HE HIS 32 8.468 15.753 3.398 202 H THR 33 H THR 33 5.132 13.661 0.217 203 HA THR 33 HA THR 33 3.374 12.094 -1.358 204 HB THR 33 HB THR 33 6.322 11.674 -0.831 205 HG1 THR 33 1HG THR 33 6.597 13.338 -2.049 206 1HG2 THR 33 1HG2 THR 33 6.447 10.370 -2.748 207 2HG2 THR 33 2HG2 THR 33 4.860 10.887 -3.318 208 3HG2 THR 33 3HG2 THR 33 4.989 9.790 -1.944 209 H VAL 34 H VAL 34 2.517 10.145 -1.046 210 HA VAL 34 HA VAL 34 3.517 8.474 1.154 211 HB VAL 34 HB VAL 34 1.158 7.898 1.739 212 1HG1 VAL 34 1HG1 VAL 34 2.689 9.809 2.757 213 2HG1 VAL 34 2HG1 VAL 34 1.040 9.537 3.317 214 3HG1 VAL 34 3HG1 VAL 34 1.377 10.827 2.163 215 1HG2 VAL 34 1HG2 VAL 34 0.520 10.268 -0.014 216 2HG2 VAL 34 2HG2 VAL 34 -0.621 9.451 1.054 217 3HG2 VAL 34 3HG2 VAL 34 0.073 8.590 -0.319 218 H TYR 35 H TYR 35 2.337 6.265 1.050 219 HA TYR 35 HA TYR 35 2.128 5.444 -1.775 220 1HB TYR 35 2HB TYR 35 3.177 3.647 0.404 221 2HB TYR 35 1HB TYR 35 3.325 3.457 -1.339 222 HD1 TYR 35 1HD TYR 35 4.647 5.415 -2.541 223 HD2 TYR 35 2HD TYR 35 5.012 4.418 1.578 224 HE1 TYR 35 1HE TYR 35 6.851 6.503 -2.480 225 HE2 TYR 35 2HE TYR 35 7.216 5.504 1.652 226 HH TYR 35 HH TYR 35 9.017 6.123 0.113 227 H TYR 36 H TYR 36 0.252 4.525 -2.307 228 HA TYR 36 HA TYR 36 -1.346 3.284 -0.164 229 1HB TYR 36 2HB TYR 36 -2.078 5.372 -2.125 230 2HB TYR 36 1HB TYR 36 -3.269 4.099 -1.884 231 HD1 TYR 36 1HD TYR 36 -1.314 6.719 -0.143 232 HD2 TYR 36 2HD TYR 36 -4.619 4.047 0.055 233 HE1 TYR 36 1HE TYR 36 -2.095 7.846 1.899 234 HE2 TYR 36 2HE TYR 36 -5.410 5.167 2.097 235 HH TYR 36 HH TYR 36 -4.336 8.144 3.095 236 H CYS 37 H CYS 37 -3.031 1.788 -0.993 237 HA CYS 37 HA CYS 37 -1.886 0.116 -3.120 238 1HB CYS 37 2HB CYS 37 -3.707 -0.448 -0.794 239 2HB CYS 37 1HB CYS 37 -3.611 -1.565 -2.145 240 H ARG 38 H ARG 38 -2.921 -0.295 -4.978 241 HA ARG 38 HA ARG 38 -5.702 0.614 -5.257 242 1HB ARG 38 2HB ARG 38 -3.500 1.032 -7.289 243 2HB ARG 38 1HB ARG 38 -5.184 1.502 -7.477 244 1HG ARG 38 2HG ARG 38 -3.345 2.581 -5.355 245 2HG ARG 38 1HG ARG 38 -3.682 3.377 -6.894 246 1HD ARG 38 2HD ARG 38 -6.184 3.028 -6.110 247 2HD ARG 38 1HD ARG 38 -5.429 3.005 -4.516 248 HE ARG 38 HE ARG 38 -4.480 5.218 -5.971 249 1HH1 ARG 38 1HH1 ARG 38 -7.389 4.092 -4.387 250 2HH1 ARG 38 2HH1 ARG 38 -7.959 5.689 -4.039 251 1HH2 ARG 38 1HH2 ARG 38 -5.236 7.311 -5.509 252 2HH2 ARG 38 2HH2 ARG 38 -6.740 7.513 -4.675 253 H ALA 39 H ALA 39 -7.009 -0.851 -6.093 254 HA ALA 39 HA ALA 39 -6.082 -3.442 -6.783 255 1HB ALA 39 1HB ALA 39 -8.207 -3.376 -5.812 256 2HB ALA 39 2HB ALA 39 -8.523 -3.742 -7.508 257 3HB ALA 39 3HB ALA 39 -8.765 -2.105 -6.899 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -4.714 -15.229 3.617 2 2H GLY 1 2HT GLY 1 -4.311 -14.097 2.427 3 3H GLY 1 3HT GLY 1 -4.913 -13.577 3.919 4 1HA GLY 1 1HA GLY 1 -2.806 -14.975 4.744 5 2HA GLY 1 2HA GLY 1 -2.231 -14.411 3.182 6 H SER 2 H SER 2 -0.821 -12.843 3.690 7 HA SER 2 HA SER 2 -1.785 -10.662 5.425 8 1HB SER 2 2HB SER 2 1.111 -11.418 4.998 9 2HB SER 2 1HB SER 2 0.459 -10.292 6.188 10 HG SER 2 HG SER 2 1.007 -12.579 6.837 11 H CYS 3 H CYS 3 -2.372 -9.022 4.157 12 HA CYS 3 HA CYS 3 -0.433 -7.905 2.319 13 1HB CYS 3 2HB CYS 3 -2.021 -7.795 0.433 14 2HB CYS 3 1HB CYS 3 -1.622 -9.454 0.861 15 H VAL 4 H VAL 4 -1.274 -5.808 1.383 16 HA VAL 4 HA VAL 4 -2.533 -4.307 3.521 17 HB VAL 4 HB VAL 4 -1.232 -3.401 0.954 18 1HG1 VAL 4 1HG1 VAL 4 -1.173 -1.172 2.174 19 2HG1 VAL 4 2HG1 VAL 4 -2.385 -1.857 3.256 20 3HG1 VAL 4 3HG1 VAL 4 -2.734 -1.690 1.537 21 1HG2 VAL 4 1HG2 VAL 4 0.093 -4.525 2.913 22 2HG2 VAL 4 2HG2 VAL 4 -0.092 -2.940 3.666 23 3HG2 VAL 4 3HG2 VAL 4 0.723 -3.089 2.108 24 HA PRO 5 HA PRO 5 -6.455 -4.373 1.349 25 1HB PRO 5 2HB PRO 5 -7.217 -2.033 2.951 26 2HB PRO 5 1HB PRO 5 -7.918 -3.652 2.933 27 1HG PRO 5 2HG PRO 5 -6.471 -2.731 5.016 28 2HG PRO 5 1HG PRO 5 -6.478 -4.440 4.544 29 1HD PRO 5 2HD PRO 5 -4.420 -2.331 4.014 30 2HD PRO 5 1HD PRO 5 -4.201 -4.037 4.450 31 H VAL 6 H VAL 6 -7.165 -3.393 -0.478 32 HA VAL 6 HA VAL 6 -5.693 -1.368 -1.700 33 HB VAL 6 HB VAL 6 -8.516 -2.267 -2.298 34 1HG1 VAL 6 1HG1 VAL 6 -8.037 -0.081 -3.287 35 2HG1 VAL 6 2HG1 VAL 6 -8.157 -1.334 -4.523 36 3HG1 VAL 6 3HG1 VAL 6 -6.574 -0.736 -4.023 37 1HG2 VAL 6 1HG2 VAL 6 -5.822 -3.297 -2.956 38 2HG2 VAL 6 2HG2 VAL 6 -7.043 -3.354 -4.227 39 3HG2 VAL 6 3HG2 VAL 6 -7.333 -4.165 -2.687 40 H ASP 7 H ASP 7 -6.179 0.791 -2.109 41 HA ASP 7 HA ASP 7 -6.926 2.880 -1.711 42 1HB ASP 7 2HB ASP 7 -9.146 1.656 -0.070 43 2HB ASP 7 1HB ASP 7 -9.083 3.278 -0.745 44 H GLN 8 H GLN 8 -5.502 0.858 0.393 45 HA GLN 8 HA GLN 8 -5.498 2.859 2.543 46 1HB GLN 8 2HB GLN 8 -4.780 -0.058 2.824 47 2HB GLN 8 1HB GLN 8 -4.966 1.118 4.116 48 1HG GLN 8 2HG GLN 8 -7.158 0.099 2.326 49 2HG GLN 8 1HG GLN 8 -6.875 -0.375 4.000 50 1HE2 GLN 8 1HE2 GLN 8 -8.362 0.480 5.251 51 2HE2 GLN 8 2HE2 GLN 8 -8.972 2.093 5.159 52 HA PRO 9 HA PRO 9 -1.244 3.606 1.779 53 1HB PRO 9 2HB PRO 9 -0.218 3.849 4.306 54 2HB PRO 9 1HB PRO 9 -1.132 5.103 3.471 55 1HG PRO 9 2HG PRO 9 -2.037 3.156 5.545 56 2HG PRO 9 1HG PRO 9 -2.477 4.859 5.343 57 1HD PRO 9 2HD PRO 9 -4.099 2.831 4.591 58 2HD PRO 9 1HD PRO 9 -4.070 4.393 3.752 59 H CYS 10 H CYS 10 0.590 2.549 1.440 60 HA CYS 10 HA CYS 10 1.100 0.074 2.941 61 1HB CYS 10 2HB CYS 10 2.045 -0.813 0.716 62 2HB CYS 10 1HB CYS 10 0.300 -0.771 0.906 63 H SER 11 H SER 11 3.439 -0.711 2.129 64 HA SER 11 HA SER 11 5.258 1.574 2.021 65 1HB SER 11 2HB SER 11 5.969 -0.607 3.922 66 2HB SER 11 1HB SER 11 6.367 1.110 3.978 67 HG SER 11 HG SER 11 4.699 1.388 5.207 68 H LEU 12 H LEU 12 7.070 1.222 0.851 69 HA LEU 12 HA LEU 12 7.202 -0.893 -0.952 70 1HB LEU 12 2HB LEU 12 9.536 -0.131 -1.377 71 2HB LEU 12 1HB LEU 12 8.330 1.138 -1.457 72 HG LEU 12 HG LEU 12 8.991 1.717 0.939 73 1HD1 LEU 12 1HD1 LEU 12 11.587 0.987 1.076 74 2HD1 LEU 12 2HD1 LEU 12 10.882 -0.451 0.338 75 3HD1 LEU 12 3HD1 LEU 12 10.274 0.134 1.886 76 1HD2 LEU 12 1HD2 LEU 12 10.845 2.077 -1.400 77 2HD2 LEU 12 2HD2 LEU 12 11.079 2.897 0.143 78 3HD2 LEU 12 3HD2 LEU 12 9.617 3.190 -0.798 79 H ASN 13 H ASN 13 8.251 -0.761 2.335 80 HA ASN 13 HA ASN 13 9.878 -3.168 1.988 81 1HB ASN 13 2HB ASN 13 10.647 -2.716 4.311 82 2HB ASN 13 1HB ASN 13 10.997 -1.400 3.193 83 1HD2 ASN 13 1HD2 ASN 13 8.772 -2.484 5.693 84 2HD2 ASN 13 2HD2 ASN 13 8.297 -0.906 6.211 85 H THR 14 H THR 14 6.720 -2.377 2.743 86 HA THR 14 HA THR 14 6.398 -4.497 4.708 87 HB THR 14 HB THR 14 3.983 -3.688 4.682 88 HG1 THR 14 1HG THR 14 3.994 -2.631 2.695 89 1HG2 THR 14 1HG2 THR 14 5.139 -2.892 6.513 90 2HG2 THR 14 2HG2 THR 14 4.584 -1.414 5.729 91 3HG2 THR 14 3HG2 THR 14 6.253 -1.945 5.528 92 H GLN 15 H GLN 15 4.091 -5.629 4.271 93 HA GLN 15 HA GLN 15 4.535 -7.409 2.135 94 1HB GLN 15 2HB GLN 15 1.955 -6.965 3.642 95 2HB GLN 15 1HB GLN 15 2.429 -8.411 2.765 96 1HG GLN 15 2HG GLN 15 3.693 -7.335 5.272 97 2HG GLN 15 1HG GLN 15 2.680 -8.770 5.129 98 1HE2 GLN 15 1HE2 GLN 15 3.706 -10.625 4.995 99 2HE2 GLN 15 2HE2 GLN 15 5.332 -10.856 4.459 100 HA PRO 16 HA PRO 16 2.625 -5.482 -1.350 101 1HB PRO 16 2HB PRO 16 1.236 -7.565 -2.474 102 2HB PRO 16 1HB PRO 16 2.978 -7.333 -2.646 103 1HG PRO 16 2HG PRO 16 1.480 -9.124 -0.777 104 2HG PRO 16 1HG PRO 16 2.958 -9.453 -1.700 105 1HD PRO 16 2HD PRO 16 3.028 -8.859 0.921 106 2HD PRO 16 1HD PRO 16 4.300 -8.316 -0.193 107 H CYS 17 H CYS 17 0.353 -5.450 -2.531 108 HA CYS 17 HA CYS 17 -1.563 -4.763 -0.465 109 1HB CYS 17 2HB CYS 17 -1.783 -4.441 -3.463 110 2HB CYS 17 1HB CYS 17 -2.849 -3.731 -2.255 111 H CYS 18 H CYS 18 -3.940 -5.204 -1.181 112 HA CYS 18 HA CYS 18 -4.171 -8.107 -1.532 113 1HB CYS 18 2HB CYS 18 -6.191 -6.158 -0.402 114 2HB CYS 18 1HB CYS 18 -6.319 -7.911 -0.394 115 H ASP 19 H ASP 19 -6.234 -8.829 -2.610 116 HA ASP 19 HA ASP 19 -7.443 -9.011 -4.533 117 1HB ASP 19 2HB ASP 19 -7.736 -6.090 -3.878 118 2HB ASP 19 1HB ASP 19 -8.512 -6.788 -5.296 119 H ASP 20 H ASP 20 -4.566 -8.602 -4.761 120 HA ASP 20 HA ASP 20 -3.000 -8.386 -6.389 121 1HB ASP 20 2HB ASP 20 -5.126 -9.347 -7.713 122 2HB ASP 20 1HB ASP 20 -4.978 -7.792 -8.525 123 H ALA 21 H ALA 21 -3.768 -6.106 -4.892 124 HA ALA 21 HA ALA 21 -3.914 -3.852 -6.689 125 1HB ALA 21 1HB ALA 21 -3.992 -4.255 -3.773 126 2HB ALA 21 2HB ALA 21 -4.934 -3.170 -4.794 127 3HB ALA 21 3HB ALA 21 -3.295 -2.728 -4.312 128 H THR 22 H THR 22 -2.275 -1.993 -6.112 129 HA THR 22 HA THR 22 0.441 -3.067 -5.916 130 HB THR 22 HB THR 22 -0.506 -1.160 -8.064 131 HG1 THR 22 1HG THR 22 -1.071 -3.113 -8.774 132 1HG2 THR 22 1HG2 THR 22 1.663 -0.502 -7.830 133 2HG2 THR 22 2HG2 THR 22 1.848 -1.835 -8.969 134 3HG2 THR 22 3HG2 THR 22 2.198 -2.082 -7.258 135 H CYS 23 H CYS 23 1.893 -1.740 -4.909 136 HA CYS 23 HA CYS 23 0.801 0.470 -3.412 137 1HB CYS 23 2HB CYS 23 2.539 -1.297 -2.633 138 2HB CYS 23 1HB CYS 23 3.711 -0.301 -3.487 139 H THR 24 H THR 24 0.593 2.408 -4.351 140 HA THR 24 HA THR 24 2.704 3.309 -6.187 141 HB THR 24 HB THR 24 -0.279 3.746 -6.313 142 HG1 THR 24 1HG THR 24 1.566 2.640 -8.159 143 1HG2 THR 24 1HG2 THR 24 0.661 5.860 -6.910 144 2HG2 THR 24 2HG2 THR 24 0.143 5.038 -8.382 145 3HG2 THR 24 3HG2 THR 24 1.854 5.087 -7.954 146 H GLN 25 H GLN 25 3.078 5.557 -6.302 147 HA GLN 25 HA GLN 25 3.131 6.851 -3.755 148 1HB GLN 25 2HB GLN 25 5.003 7.111 -5.256 149 2HB GLN 25 1HB GLN 25 3.957 7.736 -6.524 150 1HG GLN 25 2HG GLN 25 3.650 9.767 -5.433 151 2HG GLN 25 1HG GLN 25 4.223 9.131 -3.895 152 1HE2 GLN 25 1HE2 GLN 25 5.065 10.682 -6.799 153 2HE2 GLN 25 2HE2 GLN 25 6.769 10.775 -6.536 154 H GLU 26 H GLU 26 1.719 8.271 -2.956 155 HA GLU 26 HA GLU 26 -0.023 9.791 -4.726 156 1HB GLU 26 2HB GLU 26 -1.150 8.128 -2.470 157 2HB GLU 26 1HB GLU 26 -2.054 9.149 -3.578 158 1HG GLU 26 2HG GLU 26 -1.376 7.690 -5.439 159 2HG GLU 26 1HG GLU 26 -0.546 6.644 -4.288 160 H ARG 27 H ARG 27 -1.572 11.151 -3.144 161 HA ARG 27 HA ARG 27 0.255 12.443 -1.243 162 1HB ARG 27 2HB ARG 27 -2.238 13.572 -2.526 163 2HB ARG 27 1HB ARG 27 -1.071 14.449 -1.548 164 1HG ARG 27 2HG ARG 27 0.528 13.441 -3.497 165 2HG ARG 27 1HG ARG 27 -0.979 13.700 -4.376 166 1HD ARG 27 2HD ARG 27 -0.397 15.955 -2.677 167 2HD ARG 27 1HD ARG 27 0.972 15.603 -3.731 168 HE ARG 27 HE ARG 27 -0.278 16.262 -5.538 169 1HH1 ARG 27 1HH1 ARG 27 -2.390 15.909 -2.771 170 2HH1 ARG 27 2HH1 ARG 27 -3.745 16.639 -3.562 171 1HH2 ARG 27 1HH2 ARG 27 -2.063 17.219 -6.569 172 2HH2 ARG 27 2HH2 ARG 27 -3.560 17.382 -5.714 173 H ASN 28 H ASN 28 -0.433 12.999 0.832 174 HA ASN 28 HA ASN 28 -2.728 11.442 1.785 175 1HB ASN 28 2HB ASN 28 -1.738 11.673 4.018 176 2HB ASN 28 1HB ASN 28 -0.581 10.990 2.882 177 1HD2 ASN 28 1HD2 ASN 28 0.462 11.954 5.088 178 2HD2 ASN 28 2HD2 ASN 28 1.238 13.475 4.827 179 H GLU 29 H GLU 29 -3.494 12.627 4.032 180 HA GLU 29 HA GLU 29 -5.142 14.716 3.205 181 1HB GLU 29 2HB GLU 29 -5.715 14.974 5.552 182 2HB GLU 29 1HB GLU 29 -5.610 13.270 5.139 183 1HG GLU 29 2HG GLU 29 -3.150 13.539 6.009 184 2HG GLU 29 1HG GLU 29 -3.837 14.920 6.863 185 H ASN 30 H ASN 30 -1.920 14.757 4.547 186 HA ASN 30 HA ASN 30 -1.958 17.589 5.097 187 1HB ASN 30 2HB ASN 30 0.120 15.430 5.273 188 2HB ASN 30 1HB ASN 30 0.590 17.124 5.378 189 1HD2 ASN 30 1HD2 ASN 30 1.082 15.480 7.465 190 2HD2 ASN 30 2HD2 ASN 30 0.043 15.865 8.791 191 H GLY 31 H GLY 31 -0.992 15.497 2.477 192 1HA GLY 31 2HA GLY 31 -0.946 16.479 0.250 193 2HA GLY 31 1HA GLY 31 -0.192 17.898 0.956 194 H HIS 32 H HIS 32 1.323 15.504 2.536 195 HA HIS 32 HA HIS 32 3.664 15.704 0.889 196 1HB HIS 32 2HB HIS 32 3.595 15.618 3.446 197 2HB HIS 32 1HB HIS 32 3.321 13.887 3.271 198 HD1 HIS 32 1HD HIS 32 5.935 16.528 2.698 199 HD2 HIS 32 2HD HIS 32 5.562 12.390 2.624 200 HE1 HIS 32 1HE HIS 32 8.282 15.645 2.512 201 HE2 HIS 32 2HE HIS 32 8.025 13.141 2.385 202 H THR 33 H THR 33 4.869 13.860 0.091 203 HA THR 33 HA THR 33 3.240 12.093 -1.406 204 HB THR 33 HB THR 33 6.216 11.943 -0.894 205 HG1 THR 33 1HG THR 33 4.688 13.302 -2.847 206 1HG2 THR 33 1HG2 THR 33 6.447 10.523 -2.680 207 2HG2 THR 33 2HG2 THR 33 4.892 10.972 -3.378 208 3HG2 THR 33 3HG2 THR 33 4.953 9.933 -1.954 209 H VAL 34 H VAL 34 2.821 9.946 -1.188 210 HA VAL 34 HA VAL 34 3.936 8.420 1.012 211 HB VAL 34 HB VAL 34 1.708 7.774 1.889 212 1HG1 VAL 34 1HG1 VAL 34 2.038 10.752 2.109 213 2HG1 VAL 34 2HG1 VAL 34 3.172 9.624 2.853 214 3HG1 VAL 34 3HG1 VAL 34 1.474 9.614 3.332 215 1HG2 VAL 34 1HG2 VAL 34 0.550 10.170 0.518 216 2HG2 VAL 34 2HG2 VAL 34 -0.277 8.796 1.253 217 3HG2 VAL 34 3HG2 VAL 34 0.567 8.600 -0.283 218 H TYR 35 H TYR 35 2.808 6.169 1.017 219 HA TYR 35 HA TYR 35 2.456 5.358 -1.796 220 1HB TYR 35 2HB TYR 35 3.434 3.515 0.375 221 2HB TYR 35 1HB TYR 35 3.588 3.339 -1.369 222 HD1 TYR 35 1HD TYR 35 4.937 5.372 -2.505 223 HD2 TYR 35 2HD TYR 35 5.341 4.090 1.531 224 HE1 TYR 35 1HE TYR 35 7.179 6.377 -2.417 225 HE2 TYR 35 2HE TYR 35 7.585 5.092 1.631 226 HH TYR 35 HH TYR 35 9.436 5.667 -0.410 227 H TYR 36 H TYR 36 0.540 4.524 -2.320 228 HA TYR 36 HA TYR 36 -1.102 3.350 -0.171 229 1HB TYR 36 2HB TYR 36 -1.751 5.464 -2.133 230 2HB TYR 36 1HB TYR 36 -2.994 4.241 -1.888 231 HD1 TYR 36 1HD TYR 36 -0.675 6.306 0.204 232 HD2 TYR 36 2HD TYR 36 -4.592 4.725 -0.304 233 HE1 TYR 36 1HE TYR 36 -1.402 7.466 2.246 234 HE2 TYR 36 2HE TYR 36 -5.330 5.881 1.736 235 HH TYR 36 HH TYR 36 -4.625 7.882 3.076 236 H CYS 37 H CYS 37 -2.847 1.924 -0.990 237 HA CYS 37 HA CYS 37 -1.783 0.206 -3.123 238 1HB CYS 37 2HB CYS 37 -3.615 -0.282 -0.788 239 2HB CYS 37 1HB CYS 37 -3.562 -1.406 -2.135 240 H ARG 38 H ARG 38 -2.841 -0.159 -4.975 241 HA ARG 38 HA ARG 38 -5.589 0.848 -5.237 242 1HB ARG 38 2HB ARG 38 -3.380 1.193 -7.272 243 2HB ARG 38 1HB ARG 38 -5.051 1.700 -7.472 244 1HG ARG 38 2HG ARG 38 -3.249 2.743 -5.305 245 2HG ARG 38 1HG ARG 38 -3.449 3.521 -6.876 246 1HD ARG 38 2HD ARG 38 -6.015 3.282 -6.222 247 2HD ARG 38 1HD ARG 38 -5.336 3.317 -4.596 248 HE ARG 38 HE ARG 38 -4.268 5.417 -6.168 249 1HH1 ARG 38 1HH1 ARG 38 -7.174 4.479 -4.460 250 2HH1 ARG 38 2HH1 ARG 38 -7.678 6.111 -4.178 251 1HH2 ARG 38 1HH2 ARG 38 -4.938 7.556 -5.793 252 2HH2 ARG 38 2HH2 ARG 38 -6.412 7.855 -4.934 253 H ALA 39 H ALA 39 -6.954 -0.568 -6.073 254 HA ALA 39 HA ALA 39 -6.094 -3.188 -6.790 255 1HB ALA 39 1HB ALA 39 -8.159 -3.364 -5.883 256 2HB ALA 39 2HB ALA 39 -8.662 -3.194 -7.564 257 3HB ALA 39 3HB ALA 39 -8.681 -1.793 -6.492 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -1.477 -16.007 6.092 2 2H GLY 1 2HT GLY 1 -1.720 -16.990 4.738 3 3H GLY 1 3HT GLY 1 -2.956 -15.967 5.272 4 1HA GLY 1 1HA GLY 1 -0.341 -15.090 4.172 5 2HA GLY 1 2HA GLY 1 -1.867 -15.069 3.302 6 H SER 2 H SER 2 -0.273 -12.795 3.679 7 HA SER 2 HA SER 2 -2.179 -11.108 5.093 8 1HB SER 2 2HB SER 2 -0.023 -11.858 6.511 9 2HB SER 2 1HB SER 2 0.667 -10.474 5.664 10 HG SER 2 HG SER 2 -1.730 -10.436 7.187 11 H CYS 3 H CYS 3 -2.477 -9.178 4.121 12 HA CYS 3 HA CYS 3 -0.470 -8.074 2.354 13 1HB CYS 3 2HB CYS 3 -2.002 -7.932 0.419 14 2HB CYS 3 1HB CYS 3 -1.617 -9.596 0.841 15 H VAL 4 H VAL 4 -1.262 -5.959 1.405 16 HA VAL 4 HA VAL 4 -2.544 -4.461 3.521 17 HB VAL 4 HB VAL 4 -1.249 -3.542 0.956 18 1HG1 VAL 4 1HG1 VAL 4 -1.177 -1.328 2.189 19 2HG1 VAL 4 2HG1 VAL 4 -2.371 -2.019 3.287 20 3HG1 VAL 4 3HG1 VAL 4 -2.749 -1.839 1.575 21 1HG2 VAL 4 1HG2 VAL 4 0.345 -4.593 2.420 22 2HG2 VAL 4 2HG2 VAL 4 -0.235 -3.648 3.790 23 3HG2 VAL 4 3HG2 VAL 4 0.593 -2.847 2.455 24 HA PRO 5 HA PRO 5 -6.466 -4.545 1.354 25 1HB PRO 5 2HB PRO 5 -7.243 -2.224 2.979 26 2HB PRO 5 1HB PRO 5 -7.930 -3.848 2.946 27 1HG PRO 5 2HG PRO 5 -6.489 -2.937 5.036 28 2HG PRO 5 1HG PRO 5 -6.477 -4.640 4.544 29 1HD PRO 5 2HD PRO 5 -4.444 -2.503 4.029 30 2HD PRO 5 1HD PRO 5 -4.206 -4.210 4.452 31 H VAL 6 H VAL 6 -7.187 -3.567 -0.460 32 HA VAL 6 HA VAL 6 -5.746 -1.517 -1.676 33 HB VAL 6 HB VAL 6 -8.557 -2.453 -2.280 34 1HG1 VAL 6 1HG1 VAL 6 -8.087 -0.264 -3.272 35 2HG1 VAL 6 2HG1 VAL 6 -8.201 -1.521 -4.505 36 3HG1 VAL 6 3HG1 VAL 6 -6.621 -0.915 -4.007 37 1HG2 VAL 6 1HG2 VAL 6 -5.845 -3.448 -2.944 38 2HG2 VAL 6 2HG2 VAL 6 -7.085 -3.548 -4.193 39 3HG2 VAL 6 3HG2 VAL 6 -7.334 -4.339 -2.637 40 H ASP 7 H ASP 7 -6.268 0.633 -2.082 41 HA ASP 7 HA ASP 7 -7.052 2.709 -1.682 42 1HB ASP 7 2HB ASP 7 -9.246 1.449 -0.035 43 2HB ASP 7 1HB ASP 7 -9.212 3.071 -0.711 44 H GLN 8 H GLN 8 -5.592 0.706 0.419 45 HA GLN 8 HA GLN 8 -5.621 2.702 2.573 46 1HB GLN 8 2HB GLN 8 -4.819 -0.193 2.849 47 2HB GLN 8 1HB GLN 8 -5.068 0.973 4.140 48 1HG GLN 8 2HG GLN 8 -7.167 -0.201 2.336 49 2HG GLN 8 1HG GLN 8 -6.933 -0.527 4.052 50 1HE2 GLN 8 1HE2 GLN 8 -7.607 0.967 5.561 51 2HE2 GLN 8 2HE2 GLN 8 -8.627 2.303 5.162 52 HA PRO 9 HA PRO 9 -1.391 3.541 1.786 53 1HB PRO 9 2HB PRO 9 -0.345 3.815 4.298 54 2HB PRO 9 1HB PRO 9 -1.312 5.041 3.478 55 1HG PRO 9 2HG PRO 9 -2.125 3.060 5.559 56 2HG PRO 9 1HG PRO 9 -2.619 4.750 5.369 57 1HD PRO 9 2HD PRO 9 -4.185 2.670 4.631 58 2HD PRO 9 1HD PRO 9 -4.222 4.237 3.804 59 H CYS 10 H CYS 10 0.462 2.543 1.422 60 HA CYS 10 HA CYS 10 1.093 0.095 2.920 61 1HB CYS 10 2HB CYS 10 1.980 -0.804 0.690 62 2HB CYS 10 1HB CYS 10 0.237 -0.773 0.904 63 H SER 11 H SER 11 3.435 -0.615 2.020 64 HA SER 11 HA SER 11 5.162 1.740 1.847 65 1HB SER 11 2HB SER 11 4.781 0.549 4.265 66 2HB SER 11 1HB SER 11 6.164 -0.365 3.661 67 HG SER 11 HG SER 11 6.075 2.464 3.626 68 H LEU 12 H LEU 12 7.355 1.235 1.158 69 HA LEU 12 HA LEU 12 7.353 -0.781 -0.877 70 1HB LEU 12 2HB LEU 12 9.778 -0.005 -1.163 71 2HB LEU 12 1HB LEU 12 8.491 1.123 -1.535 72 HG LEU 12 HG LEU 12 8.859 2.306 0.548 73 1HD1 LEU 12 1HD1 LEU 12 11.040 1.561 1.799 74 2HD1 LEU 12 2HD1 LEU 12 10.622 -0.019 1.137 75 3HD1 LEU 12 3HD1 LEU 12 9.483 0.829 2.183 76 1HD2 LEU 12 1HD2 LEU 12 10.401 2.493 -1.586 77 2HD2 LEU 12 2HD2 LEU 12 11.631 1.954 -0.442 78 3HD2 LEU 12 3HD2 LEU 12 10.716 3.429 -0.125 79 H ASN 13 H ASN 13 8.290 -0.734 2.419 80 HA ASN 13 HA ASN 13 9.934 -3.136 2.032 81 1HB ASN 13 2HB ASN 13 10.762 -2.647 4.361 82 2HB ASN 13 1HB ASN 13 11.202 -1.449 3.147 83 1HD2 ASN 13 1HD2 ASN 13 11.056 0.537 3.860 84 2HD2 ASN 13 2HD2 ASN 13 9.899 1.138 4.993 85 H THR 14 H THR 14 6.829 -2.583 2.503 86 HA THR 14 HA THR 14 6.525 -4.534 4.680 87 HB THR 14 HB THR 14 4.237 -3.677 4.923 88 HG1 THR 14 1HG THR 14 4.983 -1.880 2.860 89 1HG2 THR 14 1HG2 THR 14 5.498 -2.466 6.381 90 2HG2 THR 14 2HG2 THR 14 4.880 -1.173 5.353 91 3HG2 THR 14 3HG2 THR 14 6.516 -1.785 5.112 92 H GLN 15 H GLN 15 4.112 -5.557 4.290 93 HA GLN 15 HA GLN 15 4.487 -7.429 2.216 94 1HB GLN 15 2HB GLN 15 1.828 -6.890 3.510 95 2HB GLN 15 1HB GLN 15 2.472 -8.414 2.925 96 1HG GLN 15 2HG GLN 15 3.214 -8.901 4.943 97 2HG GLN 15 1HG GLN 15 4.216 -7.453 4.942 98 1HE2 GLN 15 1HE2 GLN 15 3.617 -7.866 7.309 99 2HE2 GLN 15 2HE2 GLN 15 2.236 -7.009 7.895 100 HA PRO 16 HA PRO 16 2.648 -5.498 -1.314 101 1HB PRO 16 2HB PRO 16 1.313 -7.573 -2.479 102 2HB PRO 16 1HB PRO 16 3.068 -7.384 -2.554 103 1HG PRO 16 2HG PRO 16 1.424 -9.107 -0.741 104 2HG PRO 16 1HG PRO 16 2.930 -9.497 -1.595 105 1HD PRO 16 2HD PRO 16 2.896 -8.857 1.023 106 2HD PRO 16 1HD PRO 16 4.243 -8.399 -0.040 107 H CYS 17 H CYS 17 0.384 -5.521 -2.542 108 HA CYS 17 HA CYS 17 -1.568 -4.833 -0.507 109 1HB CYS 17 2HB CYS 17 -1.717 -4.500 -3.507 110 2HB CYS 17 1HB CYS 17 -2.839 -3.825 -2.331 111 H CYS 18 H CYS 18 -3.931 -5.300 -1.246 112 HA CYS 18 HA CYS 18 -4.121 -8.206 -1.600 113 1HB CYS 18 2HB CYS 18 -6.166 -6.273 -0.486 114 2HB CYS 18 1HB CYS 18 -6.299 -8.026 -0.504 115 H ASP 19 H ASP 19 -6.141 -8.967 -2.710 116 HA ASP 19 HA ASP 19 -7.323 -9.173 -4.648 117 1HB ASP 19 2HB ASP 19 -7.682 -6.247 -4.028 118 2HB ASP 19 1HB ASP 19 -8.454 -7.000 -5.420 119 H ASP 20 H ASP 20 -4.452 -8.698 -4.837 120 HA ASP 20 HA ASP 20 -2.872 -8.451 -6.446 121 1HB ASP 20 2HB ASP 20 -4.656 -9.631 -7.827 122 2HB ASP 20 1HB ASP 20 -5.106 -8.040 -8.434 123 H ALA 21 H ALA 21 -3.715 -6.187 -4.959 124 HA ALA 21 HA ALA 21 -3.884 -3.935 -6.753 125 1HB ALA 21 1HB ALA 21 -3.985 -4.351 -3.843 126 2HB ALA 21 2HB ALA 21 -4.922 -3.265 -4.867 127 3HB ALA 21 3HB ALA 21 -3.294 -2.814 -4.360 128 H THR 22 H THR 22 -2.286 -2.043 -6.156 129 HA THR 22 HA THR 22 0.451 -3.061 -5.947 130 HB THR 22 HB THR 22 -0.528 -1.181 -8.105 131 HG1 THR 22 1HG THR 22 -1.013 -3.423 -8.430 132 1HG2 THR 22 1HG2 THR 22 1.555 -0.543 -8.419 133 2HG2 THR 22 2HG2 THR 22 2.030 -2.224 -8.671 134 3HG2 THR 22 3HG2 THR 22 2.079 -1.526 -7.051 135 H CYS 23 H CYS 23 1.865 -1.706 -4.924 136 HA CYS 23 HA CYS 23 0.718 0.474 -3.431 137 1HB CYS 23 2HB CYS 23 2.513 -1.243 -2.664 138 2HB CYS 23 1HB CYS 23 3.650 -0.203 -3.514 139 H THR 24 H THR 24 0.449 2.412 -4.364 140 HA THR 24 HA THR 24 2.513 3.358 -6.231 141 HB THR 24 HB THR 24 -0.474 3.796 -6.260 142 HG1 THR 24 1HG THR 24 1.259 2.737 -8.233 143 1HG2 THR 24 1HG2 THR 24 0.545 5.903 -6.876 144 2HG2 THR 24 2HG2 THR 24 -0.160 5.121 -8.291 145 3HG2 THR 24 3HG2 THR 24 1.586 5.083 -8.039 146 H GLN 25 H GLN 25 2.873 5.606 -6.335 147 HA GLN 25 HA GLN 25 2.983 6.879 -3.777 148 1HB GLN 25 2HB GLN 25 4.836 7.156 -5.286 149 2HB GLN 25 1HB GLN 25 3.780 7.754 -6.557 150 1HG GLN 25 2HG GLN 25 3.445 9.795 -5.469 151 2HG GLN 25 1HG GLN 25 4.084 9.183 -3.946 152 1HE2 GLN 25 1HE2 GLN 25 4.786 10.770 -6.854 153 2HE2 GLN 25 2HE2 GLN 25 6.500 10.874 -6.669 154 H GLU 26 H GLU 26 1.726 8.467 -3.002 155 HA GLU 26 HA GLU 26 -0.110 9.912 -4.720 156 1HB GLU 26 2HB GLU 26 -1.137 8.270 -2.399 157 2HB GLU 26 1HB GLU 26 -2.093 9.323 -3.431 158 1HG GLU 26 2HG GLU 26 -1.521 7.880 -5.358 159 2HG GLU 26 1HG GLU 26 -0.695 6.789 -4.246 160 H ARG 27 H ARG 27 -1.601 11.290 -3.072 161 HA ARG 27 HA ARG 27 0.288 12.523 -1.174 162 1HB ARG 27 2HB ARG 27 -1.771 13.734 -2.998 163 2HB ARG 27 1HB ARG 27 -1.188 14.601 -1.584 164 1HG ARG 27 2HG ARG 27 1.154 13.879 -2.708 165 2HG ARG 27 1HG ARG 27 0.142 14.037 -4.145 166 1HD ARG 27 2HD ARG 27 -0.156 16.282 -3.857 167 2HD ARG 27 1HD ARG 27 0.005 16.189 -2.103 168 HE ARG 27 HE ARG 27 2.215 16.658 -2.354 169 1HH1 ARG 27 1HH1 ARG 27 1.065 15.317 -5.373 170 2HH1 ARG 27 2HH1 ARG 27 2.572 15.554 -6.190 171 1HH2 ARG 27 1HH2 ARG 27 4.190 16.966 -3.435 172 2HH2 ARG 27 2HH2 ARG 27 4.344 16.488 -5.093 173 H ASN 28 H ASN 28 -0.456 13.176 0.835 174 HA ASN 28 HA ASN 28 -3.004 11.962 1.641 175 1HB ASN 28 2HB ASN 28 -2.127 12.029 3.925 176 2HB ASN 28 1HB ASN 28 -1.001 11.205 2.852 177 1HD2 ASN 28 1HD2 ASN 28 -0.077 12.078 5.205 178 2HD2 ASN 28 2HD2 ASN 28 0.951 13.450 4.994 179 H GLU 29 H GLU 29 -3.740 13.244 3.829 180 HA GLU 29 HA GLU 29 -4.946 15.597 2.906 181 1HB GLU 29 2HB GLU 29 -4.644 14.295 5.577 182 2HB GLU 29 1HB GLU 29 -5.242 15.947 5.511 183 1HG GLU 29 2HG GLU 29 -6.548 14.103 3.649 184 2HG GLU 29 1HG GLU 29 -6.787 13.727 5.354 185 H ASN 30 H ASN 30 -1.940 15.040 4.601 186 HA ASN 30 HA ASN 30 -1.501 17.787 5.283 187 1HB ASN 30 2HB ASN 30 0.429 15.459 5.171 188 2HB ASN 30 1HB ASN 30 0.778 17.033 5.879 189 1HD2 ASN 30 1HD2 ASN 30 0.815 14.443 7.146 190 2HD2 ASN 30 2HD2 ASN 30 -0.326 14.509 8.441 191 H GLY 31 H GLY 31 -0.789 15.747 2.541 192 1HA GLY 31 2HA GLY 31 -0.459 16.782 0.389 193 2HA GLY 31 1HA GLY 31 0.371 18.099 1.198 194 H HIS 32 H HIS 32 1.514 15.403 2.691 195 HA HIS 32 HA HIS 32 3.981 15.508 1.205 196 1HB HIS 32 2HB HIS 32 3.592 15.223 3.795 197 2HB HIS 32 1HB HIS 32 3.475 13.515 3.381 198 HD1 HIS 32 1HD HIS 32 5.627 12.303 3.413 199 HD2 HIS 32 2HD HIS 32 6.159 16.371 2.755 200 HE1 HIS 32 1HE HIS 32 8.118 12.653 3.341 201 HE2 HIS 32 2HE HIS 32 8.413 15.107 2.859 202 H THR 33 H THR 33 5.017 13.697 0.237 203 HA THR 33 HA THR 33 3.278 12.086 -1.317 204 HB THR 33 HB THR 33 6.259 11.804 -0.892 205 HG1 THR 33 1HG THR 33 6.194 13.659 -1.890 206 1HG2 THR 33 1HG2 THR 33 6.393 10.513 -2.811 207 2HG2 THR 33 2HG2 THR 33 4.770 10.954 -3.340 208 3HG2 THR 33 3HG2 THR 33 4.984 9.858 -1.976 209 H VAL 34 H VAL 34 2.483 10.121 -0.983 210 HA VAL 34 HA VAL 34 3.650 8.427 1.112 211 HB VAL 34 HB VAL 34 1.363 7.792 1.856 212 1HG1 VAL 34 1HG1 VAL 34 2.360 10.599 2.181 213 2HG1 VAL 34 2HG1 VAL 34 2.439 9.252 3.317 214 3HG1 VAL 34 3HG1 VAL 34 0.899 10.053 3.003 215 1HG2 VAL 34 1HG2 VAL 34 0.511 10.160 0.191 216 2HG2 VAL 34 2HG2 VAL 34 -0.519 9.253 1.298 217 3HG2 VAL 34 3HG2 VAL 34 0.135 8.469 -0.140 218 H TYR 35 H TYR 35 2.524 6.189 1.021 219 HA TYR 35 HA TYR 35 2.196 5.443 -1.816 220 1HB TYR 35 2HB TYR 35 3.282 3.588 0.295 221 2HB TYR 35 1HB TYR 35 3.384 3.434 -1.454 222 HD1 TYR 35 1HD TYR 35 4.683 5.429 -2.641 223 HD2 TYR 35 2HD TYR 35 5.162 4.295 1.431 224 HE1 TYR 35 1HE TYR 35 6.898 6.496 -2.612 225 HE2 TYR 35 2HE TYR 35 7.379 5.359 1.472 226 HH TYR 35 HH TYR 35 8.413 7.538 -0.640 227 H TYR 36 H TYR 36 0.304 4.542 -2.329 228 HA TYR 36 HA TYR 36 -1.275 3.306 -0.167 229 1HB TYR 36 2HB TYR 36 -2.033 5.336 -2.197 230 2HB TYR 36 1HB TYR 36 -3.227 4.098 -1.822 231 HD1 TYR 36 1HD TYR 36 -0.844 6.261 0.094 232 HD2 TYR 36 2HD TYR 36 -4.792 4.712 -0.253 233 HE1 TYR 36 1HE TYR 36 -1.509 7.520 2.100 234 HE2 TYR 36 2HE TYR 36 -5.468 5.966 1.751 235 HH TYR 36 HH TYR 36 -3.888 8.462 2.978 236 H CYS 37 H CYS 37 -2.980 1.817 -0.976 237 HA CYS 37 HA CYS 37 -1.854 0.113 -3.087 238 1HB CYS 37 2HB CYS 37 -3.678 -0.407 -0.753 239 2HB CYS 37 1HB CYS 37 -3.619 -1.532 -2.099 240 H ARG 38 H ARG 38 -2.871 -0.262 -4.955 241 HA ARG 38 HA ARG 38 -5.648 0.655 -5.250 242 1HB ARG 38 2HB ARG 38 -3.426 1.058 -7.261 243 2HB ARG 38 1HB ARG 38 -5.107 1.522 -7.477 244 1HG ARG 38 2HG ARG 38 -3.296 2.622 -5.339 245 2HG ARG 38 1HG ARG 38 -3.624 3.407 -6.887 246 1HD ARG 38 2HD ARG 38 -6.131 3.049 -6.121 247 2HD ARG 38 1HD ARG 38 -5.389 3.042 -4.521 248 HE ARG 38 HE ARG 38 -4.444 5.252 -5.991 249 1HH1 ARG 38 1HH1 ARG 38 -7.346 4.117 -4.399 250 2HH1 ARG 38 2HH1 ARG 38 -7.925 5.712 -4.057 251 1HH2 ARG 38 1HH2 ARG 38 -5.213 7.343 -5.535 252 2HH2 ARG 38 2HH2 ARG 38 -6.718 7.540 -4.700 253 H ALA 39 H ALA 39 -6.955 -0.833 -6.059 254 HA ALA 39 HA ALA 39 -6.041 -3.424 -6.725 255 1HB ALA 39 1HB ALA 39 -8.393 -3.863 -7.342 256 2HB ALA 39 2HB ALA 39 -8.738 -2.144 -7.157 257 3HB ALA 39 3HB ALA 39 -8.233 -3.097 -5.762 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 0.535 -13.946 1.926 2 2H GLY 1 2HT GLY 1 -0.450 -14.781 0.834 3 3H GLY 1 3HT GLY 1 0.465 -15.636 1.972 4 1HA GLY 1 1HA GLY 1 -2.096 -15.135 2.317 5 2HA GLY 1 2HA GLY 1 -0.965 -15.265 3.656 6 H SER 2 H SER 2 0.011 -13.246 4.441 7 HA SER 2 HA SER 2 -1.971 -11.270 4.879 8 1HB SER 2 2HB SER 2 -0.397 -10.209 6.289 9 2HB SER 2 1HB SER 2 -0.023 -11.927 6.416 10 HG SER 2 HG SER 2 1.825 -11.611 5.424 11 H CYS 3 H CYS 3 -2.307 -9.309 3.972 12 HA CYS 3 HA CYS 3 -0.361 -8.149 2.172 13 1HB CYS 3 2HB CYS 3 -1.946 -7.978 0.285 14 2HB CYS 3 1HB CYS 3 -1.541 -9.648 0.661 15 H VAL 4 H VAL 4 -1.197 -6.021 1.296 16 HA VAL 4 HA VAL 4 -2.447 -4.582 3.477 17 HB VAL 4 HB VAL 4 -1.191 -3.600 0.915 18 1HG1 VAL 4 1HG1 VAL 4 -1.122 -1.406 2.192 19 2HG1 VAL 4 2HG1 VAL 4 -2.304 -2.127 3.285 20 3HG1 VAL 4 3HG1 VAL 4 -2.693 -1.916 1.578 21 1HG2 VAL 4 1HG2 VAL 4 0.168 -4.779 2.819 22 2HG2 VAL 4 2HG2 VAL 4 -0.005 -3.218 3.620 23 3HG2 VAL 4 3HG2 VAL 4 0.784 -3.319 2.046 24 HA PRO 5 HA PRO 5 -6.400 -4.621 1.369 25 1HB PRO 5 2HB PRO 5 -7.147 -2.307 3.015 26 2HB PRO 5 1HB PRO 5 -7.840 -3.929 2.985 27 1HG PRO 5 2HG PRO 5 -6.363 -3.026 5.058 28 2HG PRO 5 1HG PRO 5 -6.379 -4.730 4.567 29 1HD PRO 5 2HD PRO 5 -4.325 -2.619 4.038 30 2HD PRO 5 1HD PRO 5 -4.105 -4.334 4.438 31 H VAL 6 H VAL 6 -7.120 -3.634 -0.440 32 HA VAL 6 HA VAL 6 -5.688 -1.567 -1.642 33 HB VAL 6 HB VAL 6 -8.491 -2.521 -2.250 34 1HG1 VAL 6 1HG1 VAL 6 -8.003 -0.293 -3.199 35 2HG1 VAL 6 2HG1 VAL 6 -8.208 -1.533 -4.437 36 3HG1 VAL 6 3HG1 VAL 6 -6.591 -0.975 -4.007 37 1HG2 VAL 6 1HG2 VAL 6 -5.783 -3.510 -2.877 38 2HG2 VAL 6 2HG2 VAL 6 -6.951 -3.533 -4.197 39 3HG2 VAL 6 3HG2 VAL 6 -7.300 -4.390 -2.696 40 H ASP 7 H ASP 7 -6.219 0.584 -2.024 41 HA ASP 7 HA ASP 7 -7.012 2.650 -1.605 42 1HB ASP 7 2HB ASP 7 -9.208 1.362 0.019 43 2HB ASP 7 1HB ASP 7 -9.178 2.992 -0.640 44 H GLN 8 H GLN 8 -5.549 0.636 0.484 45 HA GLN 8 HA GLN 8 -5.594 2.621 2.650 46 1HB GLN 8 2HB GLN 8 -4.858 -0.298 2.885 47 2HB GLN 8 1HB GLN 8 -4.970 0.863 4.199 48 1HG GLN 8 2HG GLN 8 -7.274 -0.028 2.480 49 2HG GLN 8 1HG GLN 8 -6.899 -0.651 4.087 50 1HE2 GLN 8 1HE2 GLN 8 -9.011 1.195 2.630 51 2HE2 GLN 8 2HE2 GLN 8 -9.302 2.407 3.826 52 HA PRO 9 HA PRO 9 -1.367 3.498 1.901 53 1HB PRO 9 2HB PRO 9 -0.354 3.715 4.439 54 2HB PRO 9 1HB PRO 9 -1.288 4.966 3.620 55 1HG PRO 9 2HG PRO 9 -2.172 2.958 5.647 56 2HG PRO 9 1HG PRO 9 -2.635 4.658 5.484 57 1HD PRO 9 2HD PRO 9 -4.232 2.643 4.677 58 2HD PRO 9 1HD PRO 9 -4.195 4.211 3.849 59 H CYS 10 H CYS 10 0.488 2.496 1.538 60 HA CYS 10 HA CYS 10 1.069 0.006 2.989 61 1HB CYS 10 2HB CYS 10 2.038 -0.812 0.755 62 2HB CYS 10 1HB CYS 10 0.288 -0.801 0.922 63 H SER 11 H SER 11 3.437 -0.684 2.158 64 HA SER 11 HA SER 11 5.179 1.656 2.081 65 1HB SER 11 2HB SER 11 6.028 -0.467 3.967 66 2HB SER 11 1HB SER 11 6.233 1.280 4.067 67 HG SER 11 HG SER 11 4.609 1.247 5.381 68 H LEU 12 H LEU 12 7.048 1.352 0.977 69 HA LEU 12 HA LEU 12 7.245 -0.740 -0.854 70 1HB LEU 12 2HB LEU 12 9.565 0.087 -1.244 71 2HB LEU 12 1HB LEU 12 8.322 1.319 -1.338 72 HG LEU 12 HG LEU 12 8.933 1.924 1.060 73 1HD1 LEU 12 1HD1 LEU 12 11.527 1.261 1.279 74 2HD1 LEU 12 2HD1 LEU 12 10.902 -0.191 0.494 75 3HD1 LEU 12 3HD1 LEU 12 10.217 0.349 2.027 76 1HD2 LEU 12 1HD2 LEU 12 11.000 2.293 -1.104 77 2HD2 LEU 12 2HD2 LEU 12 10.841 3.274 0.352 78 3HD2 LEU 12 3HD2 LEU 12 9.563 3.286 -0.864 79 H ASN 13 H ASN 13 8.203 -0.659 2.458 80 HA ASN 13 HA ASN 13 9.901 -3.017 2.078 81 1HB ASN 13 2HB ASN 13 9.751 -0.911 4.199 82 2HB ASN 13 1HB ASN 13 10.403 -2.496 4.599 83 1HD2 ASN 13 1HD2 ASN 13 11.579 0.263 4.316 84 2HD2 ASN 13 2HD2 ASN 13 12.945 0.039 3.283 85 H THR 14 H THR 14 6.756 -2.600 2.447 86 HA THR 14 HA THR 14 6.461 -4.629 4.546 87 HB THR 14 HB THR 14 4.074 -3.871 4.625 88 HG1 THR 14 1HG THR 14 3.409 -2.255 3.407 89 1HG2 THR 14 1HG2 THR 14 4.608 -1.522 5.523 90 2HG2 THR 14 2HG2 THR 14 6.291 -1.974 5.246 91 3HG2 THR 14 3HG2 THR 14 5.289 -2.927 6.342 92 H GLN 15 H GLN 15 4.159 -5.782 4.085 93 HA GLN 15 HA GLN 15 4.636 -7.521 1.916 94 1HB GLN 15 2HB GLN 15 2.171 -7.112 3.616 95 2HB GLN 15 1HB GLN 15 2.394 -8.444 2.493 96 1HG GLN 15 2HG GLN 15 4.152 -7.875 4.864 97 2HG GLN 15 1HG GLN 15 2.850 -9.062 4.827 98 1HE2 GLN 15 1HE2 GLN 15 5.813 -9.276 5.185 99 2HE2 GLN 15 2HE2 GLN 15 6.311 -10.456 4.026 100 HA PRO 16 HA PRO 16 2.644 -5.597 -1.525 101 1HB PRO 16 2HB PRO 16 1.249 -7.678 -2.643 102 2HB PRO 16 1HB PRO 16 2.988 -7.442 -2.835 103 1HG PRO 16 2HG PRO 16 1.516 -9.243 -0.953 104 2HG PRO 16 1HG PRO 16 2.980 -9.569 -1.902 105 1HD PRO 16 2HD PRO 16 3.097 -8.988 0.718 106 2HD PRO 16 1HD PRO 16 4.347 -8.437 -0.414 107 H CYS 17 H CYS 17 0.359 -5.534 -2.656 108 HA CYS 17 HA CYS 17 -1.531 -4.916 -0.542 109 1HB CYS 17 2HB CYS 17 -1.783 -4.484 -3.523 110 2HB CYS 17 1HB CYS 17 -2.839 -3.824 -2.280 111 H CYS 18 H CYS 18 -3.916 -5.342 -1.242 112 HA CYS 18 HA CYS 18 -4.138 -8.231 -1.692 113 1HB CYS 18 2HB CYS 18 -6.152 -6.333 -0.468 114 2HB CYS 18 1HB CYS 18 -6.270 -8.086 -0.518 115 H ASP 19 H ASP 19 -6.220 -8.925 -2.759 116 HA ASP 19 HA ASP 19 -7.457 -9.049 -4.669 117 1HB ASP 19 2HB ASP 19 -7.710 -6.060 -4.267 118 2HB ASP 19 1HB ASP 19 -8.767 -7.066 -5.251 119 H ASP 20 H ASP 20 -4.585 -8.629 -4.930 120 HA ASP 20 HA ASP 20 -3.047 -8.365 -6.577 121 1HB ASP 20 2HB ASP 20 -5.124 -9.327 -7.907 122 2HB ASP 20 1HB ASP 20 -5.136 -7.713 -8.612 123 H ALA 21 H ALA 21 -3.786 -6.139 -4.986 124 HA ALA 21 HA ALA 21 -3.933 -3.821 -6.705 125 1HB ALA 21 1HB ALA 21 -3.993 -4.318 -3.797 126 2HB ALA 21 2HB ALA 21 -4.967 -3.228 -4.782 127 3HB ALA 21 3HB ALA 21 -3.333 -2.766 -4.306 128 H THR 22 H THR 22 -2.287 -1.986 -6.019 129 HA THR 22 HA THR 22 0.423 -3.063 -5.830 130 HB THR 22 HB THR 22 -0.504 -1.164 -7.995 131 HG1 THR 22 1HG THR 22 -0.213 -2.840 -9.364 132 1HG2 THR 22 1HG2 THR 22 1.687 -0.516 -7.581 133 2HG2 THR 22 2HG2 THR 22 1.821 -1.673 -8.905 134 3HG2 THR 22 3HG2 THR 22 2.213 -2.169 -7.258 135 H CYS 23 H CYS 23 1.877 -1.718 -4.836 136 HA CYS 23 HA CYS 23 0.769 0.470 -3.320 137 1HB CYS 23 2HB CYS 23 2.546 -1.271 -2.570 138 2HB CYS 23 1HB CYS 23 3.691 -0.252 -3.436 139 H THR 24 H THR 24 0.519 2.413 -4.245 140 HA THR 24 HA THR 24 2.592 3.343 -6.112 141 HB THR 24 HB THR 24 -0.397 3.760 -6.168 142 HG1 THR 24 1HG THR 24 -0.236 2.733 -8.121 143 1HG2 THR 24 1HG2 THR 24 0.515 5.896 -6.748 144 2HG2 THR 24 2HG2 THR 24 -0.039 5.095 -8.218 145 3HG2 THR 24 3HG2 THR 24 1.683 5.152 -7.839 146 H GLN 25 H GLN 25 2.963 5.589 -6.215 147 HA GLN 25 HA GLN 25 3.047 6.869 -3.654 148 1HB GLN 25 2HB GLN 25 4.922 7.125 -5.148 149 2HB GLN 25 1HB GLN 25 3.884 7.742 -6.424 150 1HG GLN 25 2HG GLN 25 3.557 9.778 -5.326 151 2HG GLN 25 1HG GLN 25 4.175 9.151 -3.801 152 1HE2 GLN 25 1HE2 GLN 25 4.916 11.379 -5.806 153 2HE2 GLN 25 2HE2 GLN 25 6.631 11.222 -5.947 154 H GLU 26 H GLU 26 1.696 8.366 -2.872 155 HA GLU 26 HA GLU 26 -0.105 9.798 -4.665 156 1HB GLU 26 2HB GLU 26 -1.102 8.256 -2.266 157 2HB GLU 26 1HB GLU 26 -2.073 9.266 -3.326 158 1HG GLU 26 2HG GLU 26 -1.493 7.745 -5.204 159 2HG GLU 26 1HG GLU 26 -0.693 6.693 -4.038 160 H ARG 27 H ARG 27 -1.595 11.236 -3.073 161 HA ARG 27 HA ARG 27 0.279 12.553 -1.217 162 1HB ARG 27 2HB ARG 27 -1.686 13.696 -3.180 163 2HB ARG 27 1HB ARG 27 -1.176 14.626 -1.778 164 1HG ARG 27 2HG ARG 27 1.219 13.825 -2.755 165 2HG ARG 27 1HG ARG 27 0.277 13.965 -4.240 166 1HD ARG 27 2HD ARG 27 -0.290 16.249 -3.719 167 2HD ARG 27 1HD ARG 27 0.491 16.123 -2.145 168 HE ARG 27 HE ARG 27 1.747 16.698 -4.623 169 1HH1 ARG 27 1HH1 ARG 27 2.274 15.046 -1.584 170 2HH1 ARG 27 2HH1 ARG 27 3.996 15.199 -1.663 171 1HH2 ARG 27 1HH2 ARG 27 4.009 16.900 -4.714 172 2HH2 ARG 27 2HH2 ARG 27 4.980 16.251 -3.435 173 H ASN 28 H ASN 28 -0.424 13.072 0.792 174 HA ASN 28 HA ASN 28 -3.020 12.001 1.579 175 1HB ASN 28 2HB ASN 28 -2.196 12.179 3.867 176 2HB ASN 28 1HB ASN 28 -1.011 11.353 2.862 177 1HD2 ASN 28 1HD2 ASN 28 -0.118 12.293 5.159 178 2HD2 ASN 28 2HD2 ASN 28 0.843 13.712 4.938 179 H GLU 29 H GLU 29 -3.752 13.420 3.721 180 HA GLU 29 HA GLU 29 -4.964 15.714 2.615 181 1HB GLU 29 2HB GLU 29 -4.778 14.537 5.357 182 2HB GLU 29 1HB GLU 29 -5.407 16.168 5.172 183 1HG GLU 29 2HG GLU 29 -6.824 14.840 3.279 184 2HG GLU 29 1HG GLU 29 -6.619 13.588 4.504 185 H ASN 30 H ASN 30 -2.034 15.229 4.454 186 HA ASN 30 HA ASN 30 -1.626 17.987 5.085 187 1HB ASN 30 2HB ASN 30 0.232 15.605 5.114 188 2HB ASN 30 1HB ASN 30 0.707 17.215 5.647 189 1HD2 ASN 30 1HD2 ASN 30 0.485 17.628 7.717 190 2HD2 ASN 30 2HD2 ASN 30 -0.560 16.798 8.816 191 H GLY 31 H GLY 31 -0.822 15.907 2.400 192 1HA GLY 31 2HA GLY 31 -0.431 16.869 0.236 193 2HA GLY 31 1HA GLY 31 0.304 18.254 1.025 194 H HIS 32 H HIS 32 1.297 15.297 2.394 195 HA HIS 32 HA HIS 32 3.896 15.582 1.089 196 1HB HIS 32 2HB HIS 32 3.021 14.875 3.732 197 2HB HIS 32 1HB HIS 32 3.986 13.557 3.077 198 HD1 HIS 32 1HD HIS 32 4.528 17.282 2.587 199 HD2 HIS 32 2HD HIS 32 6.384 13.977 4.288 200 HE1 HIS 32 1HE HIS 32 6.790 18.090 3.329 201 HE2 HIS 32 2HE HIS 32 7.871 16.090 4.416 202 H THR 33 H THR 33 5.026 13.716 0.273 203 HA THR 33 HA THR 33 3.378 12.056 -1.326 204 HB THR 33 HB THR 33 6.319 11.727 -0.712 205 HG1 THR 33 1HG THR 33 6.637 13.351 -1.982 206 1HG2 THR 33 1HG2 THR 33 6.524 10.472 -2.671 207 2HG2 THR 33 2HG2 THR 33 4.910 10.913 -3.226 208 3HG2 THR 33 3HG2 THR 33 5.103 9.813 -1.862 209 H VAL 34 H VAL 34 2.583 10.084 -0.999 210 HA VAL 34 HA VAL 34 3.609 8.465 1.221 211 HB VAL 34 HB VAL 34 1.207 7.841 1.756 212 1HG1 VAL 34 1HG1 VAL 34 2.821 9.601 2.912 213 2HG1 VAL 34 2HG1 VAL 34 1.164 9.351 3.460 214 3HG1 VAL 34 3HG1 VAL 34 1.549 10.715 2.411 215 1HG2 VAL 34 1HG2 VAL 34 0.566 10.450 0.396 216 2HG2 VAL 34 2HG2 VAL 34 -0.558 9.305 1.129 217 3HG2 VAL 34 3HG2 VAL 34 0.300 8.874 -0.350 218 H TYR 35 H TYR 35 2.491 6.230 1.147 219 HA TYR 35 HA TYR 35 2.265 5.390 -1.672 220 1HB TYR 35 2HB TYR 35 3.332 3.636 0.536 221 2HB TYR 35 1HB TYR 35 3.453 3.395 -1.202 222 HD1 TYR 35 1HD TYR 35 5.210 4.393 -2.470 223 HD2 TYR 35 2HD TYR 35 4.727 5.368 1.643 224 HE1 TYR 35 1HE TYR 35 7.415 5.483 -2.475 225 HE2 TYR 35 2HE TYR 35 6.930 6.460 1.649 226 HH TYR 35 HH TYR 35 8.605 7.237 -1.169 227 H TYR 36 H TYR 36 0.365 4.514 -2.190 228 HA TYR 36 HA TYR 36 -1.209 3.241 -0.048 229 1HB TYR 36 2HB TYR 36 -1.969 5.351 -1.982 230 2HB TYR 36 1HB TYR 36 -3.162 4.088 -1.700 231 HD1 TYR 36 1HD TYR 36 -0.934 6.411 0.197 232 HD2 TYR 36 2HD TYR 36 -4.647 4.339 0.057 233 HE1 TYR 36 1HE TYR 36 -1.639 7.548 2.260 234 HE2 TYR 36 2HE TYR 36 -5.362 5.471 2.119 235 HH TYR 36 HH TYR 36 -4.232 8.105 3.259 236 H CYS 37 H CYS 37 -2.929 1.784 -0.888 237 HA CYS 37 HA CYS 37 -1.819 0.128 -3.046 238 1HB CYS 37 2HB CYS 37 -3.629 -0.445 -0.714 239 2HB CYS 37 1HB CYS 37 -3.569 -1.541 -2.084 240 H ARG 38 H ARG 38 -2.874 -0.252 -4.901 241 HA ARG 38 HA ARG 38 -5.646 0.691 -5.150 242 1HB ARG 38 2HB ARG 38 -3.425 1.146 -7.152 243 2HB ARG 38 1HB ARG 38 -5.115 1.568 -7.392 244 1HG ARG 38 2HG ARG 38 -3.493 2.679 -5.124 245 2HG ARG 38 1HG ARG 38 -3.546 3.437 -6.717 246 1HD ARG 38 2HD ARG 38 -6.173 3.124 -6.287 247 2HD ARG 38 1HD ARG 38 -5.622 3.266 -4.618 248 HE ARG 38 HE ARG 38 -4.493 5.316 -6.209 249 1HH1 ARG 38 1HH1 ARG 38 -7.512 4.368 -4.716 250 2HH1 ARG 38 2HH1 ARG 38 -8.089 5.994 -4.571 251 1HH2 ARG 38 1HH2 ARG 38 -5.260 7.449 -6.015 252 2HH2 ARG 38 2HH2 ARG 38 -6.815 7.739 -5.307 253 H ALA 39 H ALA 39 -6.972 -0.746 -6.012 254 HA ALA 39 HA ALA 39 -6.064 -3.335 -6.748 255 1HB ALA 39 1HB ALA 39 -8.471 -3.705 -7.365 256 2HB ALA 39 2HB ALA 39 -8.766 -2.020 -6.935 257 3HB ALA 39 3HB ALA 39 -8.196 -3.156 -5.711 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -1.398 -15.822 5.933 2 2H GLY 1 2HT GLY 1 -0.507 -16.904 4.987 3 3H GLY 1 3HT GLY 1 -2.034 -16.391 4.472 4 1HA GLY 1 1HA GLY 1 0.535 -15.008 4.362 5 2HA GLY 1 2HA GLY 1 -0.773 -15.030 3.189 6 H SER 2 H SER 2 0.301 -12.653 3.600 7 HA SER 2 HA SER 2 -1.841 -11.200 4.920 8 1HB SER 2 2HB SER 2 1.052 -10.999 5.759 9 2HB SER 2 1HB SER 2 -0.115 -9.716 6.081 10 HG SER 2 HG SER 2 -0.136 -12.383 7.028 11 H CYS 3 H CYS 3 -2.203 -9.181 4.061 12 HA CYS 3 HA CYS 3 -0.294 -8.006 2.230 13 1HB CYS 3 2HB CYS 3 -1.898 -7.900 0.353 14 2HB CYS 3 1HB CYS 3 -1.454 -9.556 0.753 15 H VAL 4 H VAL 4 -1.183 -5.913 1.326 16 HA VAL 4 HA VAL 4 -2.461 -4.467 3.490 17 HB VAL 4 HB VAL 4 -1.209 -3.502 0.920 18 1HG1 VAL 4 1HG1 VAL 4 -1.194 -1.284 2.161 19 2HG1 VAL 4 2HG1 VAL 4 -2.376 -2.010 3.249 20 3HG1 VAL 4 3HG1 VAL 4 -2.748 -1.835 1.535 21 1HG2 VAL 4 1HG2 VAL 4 0.543 -4.336 2.187 22 2HG2 VAL 4 2HG2 VAL 4 -0.193 -3.841 3.712 23 3HG2 VAL 4 3HG2 VAL 4 0.510 -2.631 2.638 24 HA PRO 5 HA PRO 5 -6.406 -4.611 1.371 25 1HB PRO 5 2HB PRO 5 -7.191 -2.278 2.973 26 2HB PRO 5 1HB PRO 5 -7.865 -3.908 2.966 27 1HG PRO 5 2HG PRO 5 -6.413 -2.960 5.032 28 2HG PRO 5 1HG PRO 5 -6.396 -4.670 4.562 29 1HD PRO 5 2HD PRO 5 -4.377 -2.531 4.013 30 2HD PRO 5 1HD PRO 5 -4.129 -4.236 4.440 31 H VAL 6 H VAL 6 -7.138 -3.669 -0.459 32 HA VAL 6 HA VAL 6 -5.733 -1.606 -1.697 33 HB VAL 6 HB VAL 6 -8.519 -2.614 -2.291 34 1HG1 VAL 6 1HG1 VAL 6 -8.088 -0.405 -3.289 35 2HG1 VAL 6 2HG1 VAL 6 -8.227 -1.673 -4.508 36 3HG1 VAL 6 3HG1 VAL 6 -6.639 -1.053 -4.058 37 1HG2 VAL 6 1HG2 VAL 6 -5.789 -3.556 -2.913 38 2HG2 VAL 6 2HG2 VAL 6 -6.978 -3.649 -4.212 39 3HG2 VAL 6 3HG2 VAL 6 -7.280 -4.470 -2.680 40 H ASP 7 H ASP 7 -6.293 0.529 -2.125 41 HA ASP 7 HA ASP 7 -7.116 2.594 -1.750 42 1HB ASP 7 2HB ASP 7 -9.293 1.308 -0.099 43 2HB ASP 7 1HB ASP 7 -9.286 2.924 -0.790 44 H GLN 8 H GLN 8 -5.630 0.640 0.382 45 HA GLN 8 HA GLN 8 -5.705 2.663 2.510 46 1HB GLN 8 2HB GLN 8 -4.864 -0.218 2.823 47 2HB GLN 8 1HB GLN 8 -5.115 0.961 4.101 48 1HG GLN 8 2HG GLN 8 -7.231 -0.210 2.312 49 2HG GLN 8 1HG GLN 8 -6.958 -0.590 4.012 50 1HE2 GLN 8 1HE2 GLN 8 -7.827 0.682 5.547 51 2HE2 GLN 8 2HE2 GLN 8 -8.778 2.089 5.229 52 HA PRO 9 HA PRO 9 -1.485 3.574 1.743 53 1HB PRO 9 2HB PRO 9 -0.470 3.881 4.267 54 2HB PRO 9 1HB PRO 9 -1.434 5.089 3.420 55 1HG PRO 9 2HG PRO 9 -2.259 3.130 5.514 56 2HG PRO 9 1HG PRO 9 -2.769 4.810 5.291 57 1HD PRO 9 2HD PRO 9 -4.301 2.703 4.564 58 2HD PRO 9 1HD PRO 9 -4.343 4.257 3.712 59 H CYS 10 H CYS 10 0.382 2.590 1.402 60 HA CYS 10 HA CYS 10 1.006 0.150 2.918 61 1HB CYS 10 2HB CYS 10 1.974 -0.715 0.701 62 2HB CYS 10 1HB CYS 10 0.227 -0.728 0.882 63 H SER 11 H SER 11 3.382 -0.531 2.083 64 HA SER 11 HA SER 11 5.086 1.844 1.982 65 1HB SER 11 2HB SER 11 4.912 -0.108 4.210 66 2HB SER 11 1HB SER 11 6.534 0.372 3.716 67 HG SER 11 HG SER 11 5.818 2.571 3.968 68 H LEU 12 H LEU 12 7.333 1.338 1.421 69 HA LEU 12 HA LEU 12 7.422 -0.649 -0.648 70 1HB LEU 12 2HB LEU 12 9.850 0.163 -0.829 71 2HB LEU 12 1HB LEU 12 8.561 1.271 -1.250 72 HG LEU 12 HG LEU 12 8.822 2.467 0.828 73 1HD1 LEU 12 1HD1 LEU 12 10.881 1.744 2.252 74 2HD1 LEU 12 2HD1 LEU 12 10.577 0.160 1.539 75 3HD1 LEU 12 3HD1 LEU 12 9.322 0.955 2.490 76 1HD2 LEU 12 1HD2 LEU 12 10.292 3.097 -0.998 77 2HD2 LEU 12 2HD2 LEU 12 11.488 1.916 -0.461 78 3HD2 LEU 12 3HD2 LEU 12 11.101 3.304 0.556 79 H ASN 13 H ASN 13 8.181 -0.660 2.682 80 HA ASN 13 HA ASN 13 9.926 -2.995 2.337 81 1HB ASN 13 2HB ASN 13 10.699 -2.560 4.635 82 2HB ASN 13 1HB ASN 13 10.974 -1.179 3.578 83 1HD2 ASN 13 1HD2 ASN 13 9.918 -2.086 6.546 84 2HD2 ASN 13 2HD2 ASN 13 8.948 -0.713 6.942 85 H THR 14 H THR 14 6.780 -2.566 2.618 86 HA THR 14 HA THR 14 6.414 -4.595 4.713 87 HB THR 14 HB THR 14 4.064 -3.827 4.803 88 HG1 THR 14 1HG THR 14 3.317 -2.513 3.359 89 1HG2 THR 14 1HG2 THR 14 4.401 -1.655 5.818 90 2HG2 THR 14 2HG2 THR 14 6.011 -1.554 5.107 91 3HG2 THR 14 3HG2 THR 14 5.660 -2.782 6.324 92 H GLN 15 H GLN 15 4.109 -5.720 4.181 93 HA GLN 15 HA GLN 15 4.644 -7.447 2.005 94 1HB GLN 15 2HB GLN 15 2.077 -7.112 3.565 95 2HB GLN 15 1HB GLN 15 2.523 -8.498 2.584 96 1HG GLN 15 2HG GLN 15 4.104 -7.605 4.974 97 2HG GLN 15 1HG GLN 15 2.788 -8.774 5.064 98 1HE2 GLN 15 1HE2 GLN 15 5.734 -8.963 5.540 99 2HE2 GLN 15 2HE2 GLN 15 6.251 -10.298 4.573 100 HA PRO 16 HA PRO 16 2.678 -5.482 -1.429 101 1HB PRO 16 2HB PRO 16 1.320 -7.563 -2.596 102 2HB PRO 16 1HB PRO 16 3.057 -7.295 -2.770 103 1HG PRO 16 2HG PRO 16 1.601 -9.156 -0.935 104 2HG PRO 16 1HG PRO 16 3.078 -9.437 -1.876 105 1HD PRO 16 2HD PRO 16 3.161 -8.907 0.754 106 2HD PRO 16 1HD PRO 16 4.412 -8.308 -0.355 107 H CYS 17 H CYS 17 0.394 -5.480 -2.599 108 HA CYS 17 HA CYS 17 -1.518 -4.863 -0.507 109 1HB CYS 17 2HB CYS 17 -1.769 -4.499 -3.498 110 2HB CYS 17 1HB CYS 17 -2.838 -3.829 -2.269 111 H CYS 18 H CYS 18 -3.891 -5.343 -1.208 112 HA CYS 18 HA CYS 18 -4.065 -8.245 -1.602 113 1HB CYS 18 2HB CYS 18 -6.116 -6.358 -0.425 114 2HB CYS 18 1HB CYS 18 -6.203 -8.113 -0.439 115 H ASP 19 H ASP 19 -6.134 -8.988 -2.666 116 HA ASP 19 HA ASP 19 -7.354 -9.165 -4.584 117 1HB ASP 19 2HB ASP 19 -7.676 -6.235 -3.947 118 2HB ASP 19 1HB ASP 19 -8.511 -6.999 -5.297 119 H ASP 20 H ASP 20 -4.503 -8.749 -4.846 120 HA ASP 20 HA ASP 20 -2.944 -8.468 -6.461 121 1HB ASP 20 2HB ASP 20 -5.480 -8.629 -8.011 122 2HB ASP 20 1HB ASP 20 -4.045 -8.060 -8.852 123 H ALA 21 H ALA 21 -3.722 -6.219 -4.938 124 HA ALA 21 HA ALA 21 -3.928 -3.949 -6.713 125 1HB ALA 21 1HB ALA 21 -3.956 -4.377 -3.793 126 2HB ALA 21 2HB ALA 21 -4.960 -3.333 -4.796 127 3HB ALA 21 3HB ALA 21 -3.334 -2.823 -4.343 128 H THR 22 H THR 22 -2.322 -2.062 -6.096 129 HA THR 22 HA THR 22 0.416 -3.074 -5.913 130 HB THR 22 HB THR 22 -0.581 -1.216 -8.082 131 HG1 THR 22 1HG THR 22 -1.058 -3.158 -8.831 132 1HG2 THR 22 1HG2 THR 22 1.687 -0.643 -7.418 133 2HG2 THR 22 2HG2 THR 22 1.645 -1.367 -9.027 134 3HG2 THR 22 3HG2 THR 22 2.180 -2.321 -7.642 135 H CYS 23 H CYS 23 1.829 -1.711 -4.905 136 HA CYS 23 HA CYS 23 0.686 0.483 -3.428 137 1HB CYS 23 2HB CYS 23 2.475 -1.224 -2.638 138 2HB CYS 23 1HB CYS 23 3.615 -0.207 -3.509 139 H THR 24 H THR 24 0.419 2.412 -4.376 140 HA THR 24 HA THR 24 2.491 3.346 -6.242 141 HB THR 24 HB THR 24 -0.498 3.765 -6.302 142 HG1 THR 24 1HG THR 24 -0.146 2.000 -7.430 143 1HG2 THR 24 1HG2 THR 24 0.478 5.880 -6.918 144 2HG2 THR 24 2HG2 THR 24 -0.158 5.075 -8.351 145 3HG2 THR 24 3HG2 THR 24 1.578 5.080 -8.039 146 H GLN 25 H GLN 25 2.850 5.591 -6.357 147 HA GLN 25 HA GLN 25 2.927 6.884 -3.802 148 1HB GLN 25 2HB GLN 25 4.804 7.140 -5.286 149 2HB GLN 25 1HB GLN 25 3.770 7.732 -6.577 150 1HG GLN 25 2HG GLN 25 3.423 9.783 -5.504 151 2HG GLN 25 1HG GLN 25 4.053 9.182 -3.974 152 1HE2 GLN 25 1HE2 GLN 25 4.756 10.854 -6.794 153 2HE2 GLN 25 2HE2 GLN 25 6.476 10.913 -6.639 154 H GLU 26 H GLU 26 1.583 8.389 -3.027 155 HA GLU 26 HA GLU 26 -0.202 9.841 -4.815 156 1HB GLU 26 2HB GLU 26 -1.250 8.261 -2.462 157 2HB GLU 26 1HB GLU 26 -2.195 9.283 -3.532 158 1HG GLU 26 2HG GLU 26 -1.581 7.786 -5.415 159 2HG GLU 26 1HG GLU 26 -0.796 6.722 -4.250 160 H ARG 27 H ARG 27 -1.709 11.261 -3.225 161 HA ARG 27 HA ARG 27 0.172 12.592 -1.392 162 1HB ARG 27 2HB ARG 27 -2.075 13.696 -3.075 163 2HB ARG 27 1HB ARG 27 -1.288 14.621 -1.805 164 1HG ARG 27 2HG ARG 27 0.410 13.368 -3.896 165 2HG ARG 27 1HG ARG 27 -0.528 14.804 -4.314 166 1HD ARG 27 2HD ARG 27 0.480 15.976 -2.385 167 2HD ARG 27 1HD ARG 27 1.471 14.552 -2.069 168 HE ARG 27 HE ARG 27 1.754 15.549 -4.741 169 1HH1 ARG 27 1HH1 ARG 27 2.862 15.926 -1.444 170 2HH1 ARG 27 2HH1 ARG 27 4.377 16.624 -1.907 171 1HH2 ARG 27 1HH2 ARG 27 3.747 16.466 -5.339 172 2HH2 ARG 27 2HH2 ARG 27 4.878 16.931 -4.114 173 H ASN 28 H ASN 28 -0.536 13.288 0.621 174 HA ASN 28 HA ASN 28 -3.041 12.048 1.535 175 1HB ASN 28 2HB ASN 28 -2.061 12.052 3.775 176 2HB ASN 28 1HB ASN 28 -0.995 11.238 2.638 177 1HD2 ASN 28 1HD2 ASN 28 0.154 11.948 4.872 178 2HD2 ASN 28 2HD2 ASN 28 1.150 13.347 4.680 179 H GLU 29 H GLU 29 -3.596 13.322 3.808 180 HA GLU 29 HA GLU 29 -4.735 15.765 2.934 181 1HB GLU 29 2HB GLU 29 -4.626 14.251 5.494 182 2HB GLU 29 1HB GLU 29 -5.057 15.954 5.576 183 1HG GLU 29 2HG GLU 29 -6.449 13.990 3.779 184 2HG GLU 29 1HG GLU 29 -6.973 14.340 5.425 185 H ASN 30 H ASN 30 -1.821 14.945 4.681 186 HA ASN 30 HA ASN 30 -1.256 17.583 5.603 187 1HB ASN 30 2HB ASN 30 0.470 15.126 5.283 188 2HB ASN 30 1HB ASN 30 1.067 16.639 5.955 189 1HD2 ASN 30 1HD2 ASN 30 -0.815 13.819 6.494 190 2HD2 ASN 30 2HD2 ASN 30 -1.174 14.108 8.159 191 H GLY 31 H GLY 31 -0.629 15.823 2.653 192 1HA GLY 31 2HA GLY 31 -0.246 17.001 0.606 193 2HA GLY 31 1HA GLY 31 0.523 18.284 1.526 194 H HIS 32 H HIS 32 1.482 15.153 2.498 195 HA HIS 32 HA HIS 32 4.039 15.530 1.114 196 1HB HIS 32 2HB HIS 32 3.336 14.764 3.778 197 2HB HIS 32 1HB HIS 32 4.195 13.422 3.030 198 HD1 HIS 32 1HD HIS 32 6.465 13.603 4.041 199 HD2 HIS 32 2HD HIS 32 5.081 17.255 2.622 200 HE1 HIS 32 1HE HIS 32 8.400 15.192 4.275 201 HE2 HIS 32 2HE HIS 32 7.562 17.377 3.342 202 H THR 33 H THR 33 5.112 13.660 0.193 203 HA THR 33 HA THR 33 3.358 12.093 -1.387 204 HB THR 33 HB THR 33 6.321 11.715 -0.912 205 HG1 THR 33 1HG THR 33 6.625 13.101 -2.542 206 1HG2 THR 33 1HG2 THR 33 6.437 10.425 -2.837 207 2HG2 THR 33 2HG2 THR 33 4.836 10.922 -3.383 208 3HG2 THR 33 3HG2 THR 33 4.997 9.817 -2.018 209 H VAL 34 H VAL 34 2.476 10.171 -1.040 210 HA VAL 34 HA VAL 34 3.561 8.460 1.087 211 HB VAL 34 HB VAL 34 1.256 7.883 1.785 212 1HG1 VAL 34 1HG1 VAL 34 2.412 10.598 2.099 213 2HG1 VAL 34 2HG1 VAL 34 2.117 9.345 3.305 214 3HG1 VAL 34 3HG1 VAL 34 0.779 10.325 2.706 215 1HG2 VAL 34 1HG2 VAL 34 0.469 10.183 -0.001 216 2HG2 VAL 34 2HG2 VAL 34 -0.600 9.347 1.125 217 3HG2 VAL 34 3HG2 VAL 34 0.076 8.483 -0.255 218 H TYR 35 H TYR 35 2.404 6.245 0.984 219 HA TYR 35 HA TYR 35 2.120 5.472 -1.848 220 1HB TYR 35 2HB TYR 35 3.197 3.631 0.278 221 2HB TYR 35 1HB TYR 35 3.321 3.478 -1.470 222 HD1 TYR 35 1HD TYR 35 4.931 4.854 -2.728 223 HD2 TYR 35 2HD TYR 35 4.755 4.971 1.521 224 HE1 TYR 35 1HE TYR 35 7.140 5.933 -2.673 225 HE2 TYR 35 2HE TYR 35 6.963 6.051 1.588 226 HH TYR 35 HH TYR 35 9.107 5.989 -0.542 227 H TYR 36 H TYR 36 0.243 4.547 -2.366 228 HA TYR 36 HA TYR 36 -1.344 3.319 -0.207 229 1HB TYR 36 2HB TYR 36 -2.092 5.354 -2.229 230 2HB TYR 36 1HB TYR 36 -3.281 4.096 -1.908 231 HD1 TYR 36 1HD TYR 36 -1.072 6.477 -0.058 232 HD2 TYR 36 2HD TYR 36 -4.801 4.437 -0.205 233 HE1 TYR 36 1HE TYR 36 -1.808 7.693 1.948 234 HE2 TYR 36 2HE TYR 36 -5.550 5.649 1.800 235 HH TYR 36 HH TYR 36 -4.282 6.801 3.835 236 H CYS 37 H CYS 37 -3.027 1.807 -1.015 237 HA CYS 37 HA CYS 37 -1.879 0.116 -3.125 238 1HB CYS 37 2HB CYS 37 -3.691 -0.430 -0.788 239 2HB CYS 37 1HB CYS 37 -3.608 -1.557 -2.132 240 H ARG 38 H ARG 38 -2.911 -0.308 -4.979 241 HA ARG 38 HA ARG 38 -5.697 0.582 -5.265 242 1HB ARG 38 2HB ARG 38 -3.450 1.052 -7.233 243 2HB ARG 38 1HB ARG 38 -5.145 1.408 -7.533 244 1HG ARG 38 2HG ARG 38 -3.697 2.620 -5.211 245 2HG ARG 38 1HG ARG 38 -3.601 3.324 -6.826 246 1HD ARG 38 2HD ARG 38 -6.265 2.979 -6.609 247 2HD ARG 38 1HD ARG 38 -5.848 3.244 -4.917 248 HE ARG 38 HE ARG 38 -4.597 5.205 -6.489 249 1HH1 ARG 38 1HH1 ARG 38 -7.796 4.284 -5.415 250 2HH1 ARG 38 2HH1 ARG 38 -8.414 5.899 -5.483 251 1HH2 ARG 38 1HH2 ARG 38 -5.417 7.324 -6.575 252 2HH2 ARG 38 2HH2 ARG 38 -7.066 7.622 -6.141 253 H ALA 39 H ALA 39 -6.993 -0.893 -6.107 254 HA ALA 39 HA ALA 39 -6.022 -3.476 -6.810 255 1HB ALA 39 1HB ALA 39 -8.100 -3.625 -5.858 256 2HB ALA 39 2HB ALA 39 -8.533 -3.695 -7.565 257 3HB ALA 39 3HB ALA 39 -8.699 -2.182 -6.676 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 0.747 -16.854 4.557 2 2H GLY 1 2HT GLY 1 -0.848 -16.308 4.425 3 3H GLY 1 3HT GLY 1 0.038 -15.996 5.832 4 1HA GLY 1 1HA GLY 1 1.556 -14.576 4.617 5 2HA GLY 1 2HA GLY 1 0.674 -14.923 3.137 6 H SER 2 H SER 2 1.115 -12.329 4.122 7 HA SER 2 HA SER 2 -1.658 -11.515 4.665 8 1HB SER 2 2HB SER 2 -0.957 -9.847 6.233 9 2HB SER 2 1HB SER 2 -0.187 -11.357 6.719 10 HG SER 2 HG SER 2 0.955 -9.029 6.033 11 H CYS 3 H CYS 3 -2.153 -9.307 3.991 12 HA CYS 3 HA CYS 3 -0.300 -8.053 2.143 13 1HB CYS 3 2HB CYS 3 -1.913 -8.011 0.289 14 2HB CYS 3 1HB CYS 3 -1.460 -9.658 0.707 15 H VAL 4 H VAL 4 -1.208 -5.975 1.293 16 HA VAL 4 HA VAL 4 -2.537 -4.581 3.461 17 HB VAL 4 HB VAL 4 -1.262 -3.562 0.924 18 1HG1 VAL 4 1HG1 VAL 4 -1.302 -1.360 2.195 19 2HG1 VAL 4 2HG1 VAL 4 -2.487 -2.119 3.256 20 3HG1 VAL 4 3HG1 VAL 4 -2.836 -1.928 1.539 21 1HG2 VAL 4 1HG2 VAL 4 0.068 -4.671 2.923 22 2HG2 VAL 4 2HG2 VAL 4 -0.132 -3.064 3.621 23 3HG2 VAL 4 3HG2 VAL 4 0.683 -3.255 2.069 24 HA PRO 5 HA PRO 5 -6.448 -4.749 1.276 25 1HB PRO 5 2HB PRO 5 -7.295 -2.462 2.914 26 2HB PRO 5 1HB PRO 5 -7.942 -4.102 2.863 27 1HG PRO 5 2HG PRO 5 -6.536 -3.172 4.970 28 2HG PRO 5 1HG PRO 5 -6.486 -4.871 4.468 29 1HD PRO 5 2HD PRO 5 -4.492 -2.691 3.991 30 2HD PRO 5 1HD PRO 5 -4.224 -4.400 4.389 31 H VAL 6 H VAL 6 -7.180 -3.772 -0.540 32 HA VAL 6 HA VAL 6 -5.784 -1.669 -1.721 33 HB VAL 6 HB VAL 6 -8.560 -2.687 -2.355 34 1HG1 VAL 6 1HG1 VAL 6 -8.273 -0.506 -3.338 35 2HG1 VAL 6 2HG1 VAL 6 -8.148 -1.728 -4.602 36 3HG1 VAL 6 3HG1 VAL 6 -6.691 -0.959 -3.971 37 1HG2 VAL 6 1HG2 VAL 6 -5.819 -3.590 -2.983 38 2HG2 VAL 6 2HG2 VAL 6 -6.993 -3.650 -4.298 39 3HG2 VAL 6 3HG2 VAL 6 -7.306 -4.519 -2.797 40 H ASP 7 H ASP 7 -6.363 0.474 -2.104 41 HA ASP 7 HA ASP 7 -7.208 2.521 -1.684 42 1HB ASP 7 2HB ASP 7 -9.378 1.181 -0.067 43 2HB ASP 7 1HB ASP 7 -9.388 2.807 -0.738 44 H GLN 8 H GLN 8 -5.711 0.532 0.406 45 HA GLN 8 HA GLN 8 -5.812 2.504 2.581 46 1HB GLN 8 2HB GLN 8 -4.967 -0.384 2.823 47 2HB GLN 8 1HB GLN 8 -5.198 0.765 4.132 48 1HG GLN 8 2HG GLN 8 -7.353 -0.310 2.329 49 2HG GLN 8 1HG GLN 8 -7.045 -0.803 3.994 50 1HE2 GLN 8 1HE2 GLN 8 -9.414 0.415 2.716 51 2HE2 GLN 8 2HE2 GLN 8 -9.755 1.834 3.641 52 HA PRO 9 HA PRO 9 -1.596 3.462 1.849 53 1HB PRO 9 2HB PRO 9 -0.595 3.729 4.382 54 2HB PRO 9 1HB PRO 9 -1.571 4.944 3.558 55 1HG PRO 9 2HG PRO 9 -2.383 2.924 5.602 56 2HG PRO 9 1HG PRO 9 -2.904 4.606 5.425 57 1HD PRO 9 2HD PRO 9 -4.424 2.516 4.636 58 2HD PRO 9 1HD PRO 9 -4.464 4.088 3.816 59 H CYS 10 H CYS 10 0.283 2.503 1.503 60 HA CYS 10 HA CYS 10 0.930 0.049 2.986 61 1HB CYS 10 2HB CYS 10 1.890 -0.802 0.767 62 2HB CYS 10 1HB CYS 10 0.143 -0.809 0.940 63 H SER 11 H SER 11 3.312 -0.600 2.131 64 HA SER 11 HA SER 11 4.979 1.807 2.077 65 1HB SER 11 2HB SER 11 4.591 0.466 4.424 66 2HB SER 11 1HB SER 11 6.032 -0.337 3.803 67 HG SER 11 HG SER 11 6.107 1.800 5.115 68 H LEU 12 H LEU 12 7.113 1.471 1.306 69 HA LEU 12 HA LEU 12 7.254 -0.435 -0.800 70 1HB LEU 12 2HB LEU 12 9.577 0.441 -1.109 71 2HB LEU 12 1HB LEU 12 8.310 1.647 -1.178 72 HG LEU 12 HG LEU 12 8.871 2.270 1.189 73 1HD1 LEU 12 1HD1 LEU 12 11.423 1.485 1.570 74 2HD1 LEU 12 2HD1 LEU 12 10.750 0.043 0.811 75 3HD1 LEU 12 3HD1 LEU 12 10.025 0.684 2.285 76 1HD2 LEU 12 1HD2 LEU 12 10.770 2.565 -1.093 77 2HD2 LEU 12 2HD2 LEU 12 11.176 3.246 0.483 78 3HD2 LEU 12 3HD2 LEU 12 9.710 3.763 -0.350 79 H ASN 13 H ASN 13 8.262 -0.478 2.505 80 HA ASN 13 HA ASN 13 9.911 -2.852 2.009 81 1HB ASN 13 2HB ASN 13 10.827 -2.475 4.265 82 2HB ASN 13 1HB ASN 13 11.057 -1.075 3.220 83 1HD2 ASN 13 1HD2 ASN 13 11.316 -0.621 5.799 84 2HD2 ASN 13 2HD2 ASN 13 9.948 0.209 6.449 85 H THR 14 H THR 14 6.794 -2.395 2.489 86 HA THR 14 HA THR 14 6.521 -4.424 4.590 87 HB THR 14 HB THR 14 4.141 -3.681 4.692 88 HG1 THR 14 1HG THR 14 3.427 -2.103 3.445 89 1HG2 THR 14 1HG2 THR 14 4.678 -1.260 5.460 90 2HG2 THR 14 2HG2 THR 14 6.353 -1.765 5.238 91 3HG2 THR 14 3HG2 THR 14 5.311 -2.637 6.363 92 H GLN 15 H GLN 15 4.214 -5.588 4.142 93 HA GLN 15 HA GLN 15 4.705 -7.348 1.989 94 1HB GLN 15 2HB GLN 15 2.152 -6.986 3.566 95 2HB GLN 15 1HB GLN 15 2.605 -8.395 2.622 96 1HG GLN 15 2HG GLN 15 3.979 -7.399 5.104 97 2HG GLN 15 1HG GLN 15 2.929 -8.810 4.979 98 1HE2 GLN 15 1HE2 GLN 15 6.019 -7.448 4.063 99 2HE2 GLN 15 2HE2 GLN 15 6.796 -8.951 3.713 100 HA PRO 16 HA PRO 16 2.677 -5.448 -1.449 101 1HB PRO 16 2HB PRO 16 1.361 -7.565 -2.588 102 2HB PRO 16 1HB PRO 16 3.095 -7.276 -2.762 103 1HG PRO 16 2HG PRO 16 1.658 -9.129 -0.904 104 2HG PRO 16 1HG PRO 16 3.138 -9.408 -1.842 105 1HD PRO 16 2HD PRO 16 3.213 -8.837 0.783 106 2HD PRO 16 1HD PRO 16 4.460 -8.249 -0.335 107 H CYS 17 H CYS 17 0.389 -5.513 -2.609 108 HA CYS 17 HA CYS 17 -1.534 -4.934 -0.508 109 1HB CYS 17 2HB CYS 17 -1.788 -4.536 -3.494 110 2HB CYS 17 1HB CYS 17 -2.864 -3.894 -2.258 111 H CYS 18 H CYS 18 -3.899 -5.439 -1.243 112 HA CYS 18 HA CYS 18 -4.025 -8.340 -1.667 113 1HB CYS 18 2HB CYS 18 -6.127 -6.498 -0.507 114 2HB CYS 18 1HB CYS 18 -6.172 -8.254 -0.526 115 H ASP 19 H ASP 19 -6.071 -9.102 -2.756 116 HA ASP 19 HA ASP 19 -7.269 -9.285 -4.687 117 1HB ASP 19 2HB ASP 19 -7.656 -6.386 -3.978 118 2HB ASP 19 1HB ASP 19 -8.414 -7.087 -5.404 119 H ASP 20 H ASP 20 -4.411 -8.789 -4.909 120 HA ASP 20 HA ASP 20 -2.854 -8.489 -6.532 121 1HB ASP 20 2HB ASP 20 -4.967 -9.468 -7.879 122 2HB ASP 20 1HB ASP 20 -4.837 -7.895 -8.660 123 H ALA 21 H ALA 21 -3.677 -6.271 -4.980 124 HA ALA 21 HA ALA 21 -3.891 -3.979 -6.723 125 1HB ALA 21 1HB ALA 21 -3.947 -4.449 -3.812 126 2HB ALA 21 2HB ALA 21 -4.942 -3.392 -4.810 127 3HB ALA 21 3HB ALA 21 -3.324 -2.883 -4.329 128 H THR 22 H THR 22 -2.316 -2.086 -6.117 129 HA THR 22 HA THR 22 0.432 -3.070 -5.908 130 HB THR 22 HB THR 22 -0.562 -1.187 -8.056 131 HG1 THR 22 1HG THR 22 -0.220 -2.847 -9.441 132 1HG2 THR 22 1HG2 THR 22 1.582 -0.983 -8.874 133 2HG2 THR 22 2HG2 THR 22 2.172 -2.377 -7.968 134 3HG2 THR 22 3HG2 THR 22 1.817 -0.867 -7.130 135 H CYS 23 H CYS 23 1.815 -1.720 -4.857 136 HA CYS 23 HA CYS 23 0.644 0.453 -3.368 137 1HB CYS 23 2HB CYS 23 2.432 -1.261 -2.583 138 2HB CYS 23 1HB CYS 23 3.577 -0.227 -3.426 139 H THR 24 H THR 24 0.381 2.389 -4.307 140 HA THR 24 HA THR 24 2.461 3.332 -6.158 141 HB THR 24 HB THR 24 -0.523 3.791 -6.178 142 HG1 THR 24 1HG THR 24 -0.164 2.031 -7.333 143 1HG2 THR 24 1HG2 THR 24 0.399 5.913 -6.765 144 2HG2 THR 24 2HG2 THR 24 -0.147 5.119 -8.243 145 3HG2 THR 24 3HG2 THR 24 1.571 5.162 -7.847 146 H GLN 25 H GLN 25 2.858 5.569 -6.236 147 HA GLN 25 HA GLN 25 2.962 6.818 -3.658 148 1HB GLN 25 2HB GLN 25 4.855 7.041 -5.129 149 2HB GLN 25 1HB GLN 25 3.845 7.684 -6.415 150 1HG GLN 25 2HG GLN 25 3.552 9.726 -5.314 151 2HG GLN 25 1HG GLN 25 4.151 9.082 -3.788 152 1HE2 GLN 25 1HE2 GLN 25 4.924 11.152 -6.093 153 2HE2 GLN 25 2HE2 GLN 25 6.645 11.012 -6.110 154 H GLU 26 H GLU 26 1.633 8.331 -2.869 155 HA GLU 26 HA GLU 26 -0.124 9.818 -4.664 156 1HB GLU 26 2HB GLU 26 -1.151 8.275 -2.278 157 2HB GLU 26 1HB GLU 26 -2.104 9.333 -3.309 158 1HG GLU 26 2HG GLU 26 -1.575 7.830 -5.223 159 2HG GLU 26 1HG GLU 26 -0.809 6.730 -4.077 160 H ARG 27 H ARG 27 -1.591 11.276 -3.062 161 HA ARG 27 HA ARG 27 0.329 12.596 -1.258 162 1HB ARG 27 2HB ARG 27 -1.870 13.751 -2.972 163 2HB ARG 27 1HB ARG 27 -1.032 14.669 -1.730 164 1HG ARG 27 2HG ARG 27 0.634 13.296 -3.753 165 2HG ARG 27 1HG ARG 27 -0.294 14.702 -4.278 166 1HD ARG 27 2HD ARG 27 0.833 16.139 -2.853 167 2HD ARG 27 1HD ARG 27 1.345 14.834 -1.781 168 HE ARG 27 HE ARG 27 3.222 14.616 -3.049 169 1HH1 ARG 27 1HH1 ARG 27 0.795 16.215 -5.000 170 2HH1 ARG 27 2HH1 ARG 27 1.867 16.473 -6.333 171 1HH2 ARG 27 1HH2 ARG 27 4.622 14.961 -4.807 172 2HH2 ARG 27 2HH2 ARG 27 4.036 15.764 -6.225 173 H ASN 28 H ASN 28 -0.391 13.362 0.734 174 HA ASN 28 HA ASN 28 -2.936 12.196 1.632 175 1HB ASN 28 2HB ASN 28 -2.013 12.216 3.880 176 2HB ASN 28 1HB ASN 28 -0.888 11.415 2.791 177 1HD2 ASN 28 1HD2 ASN 28 0.057 12.247 5.140 178 2HD2 ASN 28 2HD2 ASN 28 1.070 13.633 4.948 179 H GLU 29 H GLU 29 -3.468 13.580 3.882 180 HA GLU 29 HA GLU 29 -4.707 15.910 2.941 181 1HB GLU 29 2HB GLU 29 -4.213 14.743 5.649 182 2HB GLU 29 1HB GLU 29 -4.825 16.386 5.530 183 1HG GLU 29 2HG GLU 29 -6.207 14.304 3.945 184 2HG GLU 29 1HG GLU 29 -6.416 14.270 5.695 185 H ASN 30 H ASN 30 -1.732 15.465 4.820 186 HA ASN 30 HA ASN 30 -1.189 18.220 5.161 187 1HB ASN 30 2HB ASN 30 0.451 15.716 5.389 188 2HB ASN 30 1HB ASN 30 1.223 17.295 5.505 189 1HD2 ASN 30 1HD2 ASN 30 0.137 18.819 7.068 190 2HD2 ASN 30 2HD2 ASN 30 -0.371 18.148 8.576 191 H GLY 31 H GLY 31 -0.557 15.962 2.575 192 1HA GLY 31 2HA GLY 31 -0.251 16.814 0.342 193 2HA GLY 31 1HA GLY 31 0.603 18.185 1.028 194 H HIS 32 H HIS 32 1.661 15.461 2.639 195 HA HIS 32 HA HIS 32 4.160 15.498 1.194 196 1HB HIS 32 2HB HIS 32 3.510 15.104 3.826 197 2HB HIS 32 1HB HIS 32 3.807 13.456 3.286 198 HD1 HIS 32 1HD HIS 32 5.514 16.660 4.045 199 HD2 HIS 32 2HD HIS 32 6.477 12.935 2.478 200 HE1 HIS 32 1HE HIS 32 8.027 16.552 4.064 201 HE2 HIS 32 2HE HIS 32 8.583 14.251 3.202 202 H THR 33 H THR 33 5.193 13.566 0.372 203 HA THR 33 HA THR 33 3.459 12.037 -1.267 204 HB THR 33 HB THR 33 6.371 11.537 -0.624 205 HG1 THR 33 1HG THR 33 6.792 13.109 -1.931 206 1HG2 THR 33 1HG2 THR 33 6.532 10.226 -2.534 207 2HG2 THR 33 2HG2 THR 33 4.980 10.781 -3.161 208 3HG2 THR 33 3HG2 THR 33 5.033 9.687 -1.779 209 H VAL 34 H VAL 34 2.524 10.126 -0.969 210 HA VAL 34 HA VAL 34 3.393 8.447 1.282 211 HB VAL 34 HB VAL 34 0.952 7.901 1.670 212 1HG1 VAL 34 1HG1 VAL 34 2.541 9.696 2.863 213 2HG1 VAL 34 2HG1 VAL 34 0.874 9.405 3.362 214 3HG1 VAL 34 3HG1 VAL 34 1.254 10.771 2.313 215 1HG2 VAL 34 1HG2 VAL 34 0.543 10.438 0.089 216 2HG2 VAL 34 2HG2 VAL 34 -0.702 9.548 0.965 217 3HG2 VAL 34 3HG2 VAL 34 0.089 8.816 -0.432 218 H TYR 35 H TYR 35 2.189 6.256 1.135 219 HA TYR 35 HA TYR 35 2.066 5.417 -1.686 220 1HB TYR 35 2HB TYR 35 3.152 3.701 0.546 221 2HB TYR 35 1HB TYR 35 3.245 3.410 -1.186 222 HD1 TYR 35 1HD TYR 35 4.641 5.038 -2.587 223 HD2 TYR 35 2HD TYR 35 4.887 4.813 1.654 224 HE1 TYR 35 1HE TYR 35 6.837 6.141 -2.664 225 HE2 TYR 35 2HE TYR 35 7.083 5.917 1.590 226 HH TYR 35 HH TYR 35 8.302 7.425 -1.226 227 H TYR 36 H TYR 36 0.192 4.503 -2.230 228 HA TYR 36 HA TYR 36 -1.407 3.232 -0.105 229 1HB TYR 36 2HB TYR 36 -2.172 5.275 -2.123 230 2HB TYR 36 1HB TYR 36 -3.355 4.026 -1.750 231 HD1 TYR 36 1HD TYR 36 -1.400 6.823 -0.353 232 HD2 TYR 36 2HD TYR 36 -4.514 4.008 0.342 233 HE1 TYR 36 1HE TYR 36 -2.077 8.075 1.652 234 HE2 TYR 36 2HE TYR 36 -5.199 5.253 2.348 235 HH TYR 36 HH TYR 36 -4.653 8.150 2.992 236 H CYS 37 H CYS 37 -3.090 1.742 -0.960 237 HA CYS 37 HA CYS 37 -1.928 0.086 -3.090 238 1HB CYS 37 2HB CYS 37 -3.760 -0.497 -0.777 239 2HB CYS 37 1HB CYS 37 -3.654 -1.606 -2.135 240 H ARG 38 H ARG 38 -2.939 -0.279 -4.965 241 HA ARG 38 HA ARG 38 -5.728 0.607 -5.245 242 1HB ARG 38 2HB ARG 38 -3.482 1.092 -7.212 243 2HB ARG 38 1HB ARG 38 -5.175 1.477 -7.490 244 1HG ARG 38 2HG ARG 38 -3.645 2.631 -5.184 245 2HG ARG 38 1HG ARG 38 -3.639 3.375 -6.785 246 1HD ARG 38 2HD ARG 38 -6.281 3.028 -6.453 247 2HD ARG 38 1HD ARG 38 -5.792 3.212 -4.768 248 HE ARG 38 HE ARG 38 -4.632 5.243 -6.358 249 1HH1 ARG 38 1HH1 ARG 38 -7.695 4.289 -4.962 250 2HH1 ARG 38 2HH1 ARG 38 -8.292 5.910 -4.867 251 1HH2 ARG 38 1HH2 ARG 38 -5.425 7.369 -6.229 252 2HH2 ARG 38 2HH2 ARG 38 -7.008 7.656 -5.585 253 H ALA 39 H ALA 39 -7.020 -0.858 -6.104 254 HA ALA 39 HA ALA 39 -6.064 -3.433 -6.817 255 1HB ALA 39 1HB ALA 39 -8.166 -3.555 -5.913 256 2HB ALA 39 2HB ALA 39 -8.558 -3.626 -7.631 257 3HB ALA 39 3HB ALA 39 -8.730 -2.109 -6.749 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -1.339 -16.885 3.978 2 2H GLY 1 2HT GLY 1 -2.669 -15.882 4.276 3 3H GLY 1 3HT GLY 1 -1.394 -15.945 5.384 4 1HA GLY 1 1HA GLY 1 0.101 -14.906 3.856 5 2HA GLY 1 2HA GLY 1 -1.121 -14.974 2.595 6 H SER 2 H SER 2 0.386 -12.757 4.096 7 HA SER 2 HA SER 2 -1.980 -11.191 4.888 8 1HB SER 2 2HB SER 2 0.720 -10.203 5.618 9 2HB SER 2 1HB SER 2 -0.777 -10.194 6.550 10 HG SER 2 HG SER 2 0.963 -12.391 6.112 11 H CYS 3 H CYS 3 -2.288 -9.149 4.048 12 HA CYS 3 HA CYS 3 -0.349 -8.015 2.224 13 1HB CYS 3 2HB CYS 3 -1.947 -7.862 0.346 14 2HB CYS 3 1HB CYS 3 -1.545 -9.529 0.738 15 H VAL 4 H VAL 4 -1.185 -5.898 1.328 16 HA VAL 4 HA VAL 4 -2.417 -4.425 3.497 17 HB VAL 4 HB VAL 4 -1.170 -3.485 0.915 18 1HG1 VAL 4 1HG1 VAL 4 -1.081 -1.274 2.168 19 2HG1 VAL 4 2HG1 VAL 4 -2.266 -1.976 3.269 20 3HG1 VAL 4 3HG1 VAL 4 -2.657 -1.782 1.560 21 1HG2 VAL 4 1HG2 VAL 4 0.366 -4.604 2.499 22 2HG2 VAL 4 2HG2 VAL 4 -0.073 -3.406 3.718 23 3HG2 VAL 4 3HG2 VAL 4 0.749 -2.902 2.241 24 HA PRO 5 HA PRO 5 -6.377 -4.476 1.402 25 1HB PRO 5 2HB PRO 5 -7.112 -2.145 3.030 26 2HB PRO 5 1HB PRO 5 -7.809 -3.765 3.019 27 1HG PRO 5 2HG PRO 5 -6.323 -2.848 5.077 28 2HG PRO 5 1HG PRO 5 -6.343 -4.556 4.602 29 1HD PRO 5 2HD PRO 5 -4.287 -2.453 4.044 30 2HD PRO 5 1HD PRO 5 -4.069 -4.165 4.461 31 H VAL 6 H VAL 6 -7.098 -3.502 -0.414 32 HA VAL 6 HA VAL 6 -5.661 -1.453 -1.639 33 HB VAL 6 HB VAL 6 -8.474 -2.395 -2.227 34 1HG1 VAL 6 1HG1 VAL 6 -7.954 -0.173 -3.193 35 2HG1 VAL 6 2HG1 VAL 6 -8.208 -1.420 -4.414 36 3HG1 VAL 6 3HG1 VAL 6 -6.572 -0.894 -4.020 37 1HG2 VAL 6 1HG2 VAL 6 -5.775 -3.409 -2.854 38 2HG2 VAL 6 2HG2 VAL 6 -6.948 -3.435 -4.170 39 3HG2 VAL 6 3HG2 VAL 6 -7.297 -4.276 -2.659 40 H ASP 7 H ASP 7 -6.184 0.698 -2.042 41 HA ASP 7 HA ASP 7 -6.970 2.773 -1.640 42 1HB ASP 7 2HB ASP 7 -9.148 1.515 0.032 43 2HB ASP 7 1HB ASP 7 -9.123 3.132 -0.657 44 H GLN 8 H GLN 8 -5.495 0.772 0.458 45 HA GLN 8 HA GLN 8 -5.498 2.786 2.597 46 1HB GLN 8 2HB GLN 8 -4.758 -0.126 2.879 47 2HB GLN 8 1HB GLN 8 -4.911 1.055 4.171 48 1HG GLN 8 2HG GLN 8 -7.162 0.079 2.427 49 2HG GLN 8 1HG GLN 8 -6.821 -0.468 4.068 50 1HE2 GLN 8 1HE2 GLN 8 -8.392 1.825 2.146 51 2HE2 GLN 8 2HE2 GLN 8 -8.939 2.870 3.408 52 HA PRO 9 HA PRO 9 -1.264 3.596 1.793 53 1HB PRO 9 2HB PRO 9 -0.219 3.850 4.313 54 2HB PRO 9 1HB PRO 9 -1.155 5.094 3.484 55 1HG PRO 9 2HG PRO 9 -2.022 3.135 5.563 56 2HG PRO 9 1HG PRO 9 -2.481 4.834 5.368 57 1HD PRO 9 2HD PRO 9 -4.091 2.797 4.627 58 2HD PRO 9 1HD PRO 9 -4.075 4.355 3.780 59 H CYS 10 H CYS 10 0.580 2.565 1.435 60 HA CYS 10 HA CYS 10 1.133 0.087 2.918 61 1HB CYS 10 2HB CYS 10 2.081 -0.767 0.684 62 2HB CYS 10 1HB CYS 10 0.335 -0.738 0.871 63 H SER 11 H SER 11 3.485 -0.653 2.075 64 HA SER 11 HA SER 11 5.266 1.663 1.994 65 1HB SER 11 2HB SER 11 4.780 0.537 4.394 66 2HB SER 11 1HB SER 11 6.094 -0.504 3.846 67 HG SER 11 HG SER 11 7.265 1.082 4.611 68 H LEU 12 H LEU 12 7.493 1.088 1.428 69 HA LEU 12 HA LEU 12 7.521 -0.916 -0.628 70 1HB LEU 12 2HB LEU 12 9.969 -0.176 -0.821 71 2HB LEU 12 1HB LEU 12 8.713 0.969 -1.243 72 HG LEU 12 HG LEU 12 9.016 2.163 0.831 73 1HD1 LEU 12 1HD1 LEU 12 11.070 1.387 2.239 74 2HD1 LEU 12 2HD1 LEU 12 10.709 -0.190 1.538 75 3HD1 LEU 12 3HD1 LEU 12 9.490 0.649 2.497 76 1HD2 LEU 12 1HD2 LEU 12 10.668 2.315 -1.204 77 2HD2 LEU 12 2HD2 LEU 12 11.824 1.699 -0.024 78 3HD2 LEU 12 3HD2 LEU 12 10.970 3.210 0.285 79 H ASN 13 H ASN 13 8.289 -0.922 2.701 80 HA ASN 13 HA ASN 13 9.968 -3.305 2.372 81 1HB ASN 13 2HB ASN 13 9.869 -1.145 4.420 82 2HB ASN 13 1HB ASN 13 10.335 -2.758 4.948 83 1HD2 ASN 13 1HD2 ASN 13 11.512 0.098 3.945 84 2HD2 ASN 13 2HD2 ASN 13 13.024 -0.410 3.282 85 H THR 14 H THR 14 6.832 -2.795 2.632 86 HA THR 14 HA THR 14 6.401 -4.811 4.727 87 HB THR 14 HB THR 14 4.120 -3.977 4.894 88 HG1 THR 14 1HG THR 14 4.871 -2.125 2.883 89 1HG2 THR 14 1HG2 THR 14 5.194 -2.684 6.392 90 2HG2 THR 14 2HG2 THR 14 4.745 -1.414 5.254 91 3HG2 THR 14 3HG2 THR 14 6.370 -2.099 5.215 92 H GLN 15 H GLN 15 4.021 -5.828 4.149 93 HA GLN 15 HA GLN 15 4.551 -7.577 1.974 94 1HB GLN 15 2HB GLN 15 1.941 -7.221 3.451 95 2HB GLN 15 1HB GLN 15 2.476 -8.640 2.568 96 1HG GLN 15 2HG GLN 15 4.267 -7.793 4.725 97 2HG GLN 15 1HG GLN 15 2.668 -8.326 5.246 98 1HE2 GLN 15 1HE2 GLN 15 5.654 -9.382 4.975 99 2HE2 GLN 15 2HE2 GLN 15 5.395 -11.038 4.558 100 HA PRO 16 HA PRO 16 2.643 -5.543 -1.455 101 1HB PRO 16 2HB PRO 16 1.231 -7.588 -2.629 102 2HB PRO 16 1HB PRO 16 2.974 -7.356 -2.810 103 1HG PRO 16 2HG PRO 16 1.487 -9.194 -0.977 104 2HG PRO 16 1HG PRO 16 2.953 -9.502 -1.925 105 1HD PRO 16 2HD PRO 16 3.065 -8.990 0.706 106 2HD PRO 16 1HD PRO 16 4.316 -8.401 -0.408 107 H CYS 17 H CYS 17 0.360 -5.468 -2.622 108 HA CYS 17 HA CYS 17 -1.532 -4.817 -0.524 109 1HB CYS 17 2HB CYS 17 -1.781 -4.435 -3.513 110 2HB CYS 17 1HB CYS 17 -2.834 -3.748 -2.282 111 H CYS 18 H CYS 18 -3.917 -5.244 -1.201 112 HA CYS 18 HA CYS 18 -4.160 -8.136 -1.622 113 1HB CYS 18 2HB CYS 18 -6.158 -6.222 -0.401 114 2HB CYS 18 1HB CYS 18 -6.275 -7.975 -0.427 115 H ASP 19 H ASP 19 -6.266 -8.822 -2.659 116 HA ASP 19 HA ASP 19 -7.519 -8.953 -4.558 117 1HB ASP 19 2HB ASP 19 -7.784 -6.063 -3.786 118 2HB ASP 19 1HB ASP 19 -8.555 -6.669 -5.248 119 H ASP 20 H ASP 20 -4.651 -8.575 -4.855 120 HA ASP 20 HA ASP 20 -3.126 -8.339 -6.516 121 1HB ASP 20 2HB ASP 20 -5.435 -7.821 -8.391 122 2HB ASP 20 1HB ASP 20 -3.838 -8.442 -8.796 123 H ALA 21 H ALA 21 -3.820 -6.087 -4.944 124 HA ALA 21 HA ALA 21 -3.959 -3.791 -6.694 125 1HB ALA 21 1HB ALA 21 -4.008 -4.248 -3.780 126 2HB ALA 21 2HB ALA 21 -4.980 -3.166 -4.774 127 3HB ALA 21 3HB ALA 21 -3.341 -2.707 -4.314 128 H THR 22 H THR 22 -2.296 -1.962 -6.070 129 HA THR 22 HA THR 22 0.406 -3.061 -5.875 130 HB THR 22 HB THR 22 -0.519 -1.173 -8.049 131 HG1 THR 22 1HG THR 22 -0.700 -2.878 -9.236 132 1HG2 THR 22 1HG2 THR 22 1.588 -0.801 -8.678 133 2HG2 THR 22 2HG2 THR 22 2.109 -2.435 -8.269 134 3HG2 THR 22 3HG2 THR 22 1.973 -1.210 -7.008 135 H CYS 23 H CYS 23 1.880 -1.720 -4.900 136 HA CYS 23 HA CYS 23 0.798 0.490 -3.398 137 1HB CYS 23 2HB CYS 23 2.565 -1.258 -2.641 138 2HB CYS 23 1HB CYS 23 3.713 -0.256 -3.521 139 H THR 24 H THR 24 0.559 2.426 -4.337 140 HA THR 24 HA THR 24 2.648 3.344 -6.190 141 HB THR 24 HB THR 24 -0.343 3.718 -6.327 142 HG1 THR 24 1HG THR 24 1.528 2.655 -8.170 143 1HG2 THR 24 1HG2 THR 24 0.672 5.854 -6.905 144 2HG2 THR 24 2HG2 THR 24 -0.025 5.067 -8.322 145 3HG2 THR 24 3HG2 THR 24 1.721 5.046 -8.070 146 H GLN 25 H GLN 25 2.983 5.596 -6.321 147 HA GLN 25 HA GLN 25 2.999 6.916 -3.782 148 1HB GLN 25 2HB GLN 25 4.880 7.191 -5.267 149 2HB GLN 25 1HB GLN 25 3.837 7.781 -6.554 150 1HG GLN 25 2HG GLN 25 3.480 9.819 -5.490 151 2HG GLN 25 1HG GLN 25 4.059 9.214 -3.941 152 1HE2 GLN 25 1HE2 GLN 25 6.416 8.148 -4.396 153 2HE2 GLN 25 2HE2 GLN 25 7.524 9.282 -5.083 154 H GLU 26 H GLU 26 1.602 8.387 -3.029 155 HA GLU 26 HA GLU 26 -0.199 9.776 -4.853 156 1HB GLU 26 2HB GLU 26 -1.229 8.213 -2.482 157 2HB GLU 26 1HB GLU 26 -2.190 9.180 -3.591 158 1HG GLU 26 2HG GLU 26 -1.528 7.658 -5.424 159 2HG GLU 26 1HG GLU 26 -0.690 6.656 -4.241 160 H ARG 27 H ARG 27 -1.759 11.179 -3.309 161 HA ARG 27 HA ARG 27 0.060 12.592 -1.472 162 1HB ARG 27 2HB ARG 27 -2.164 13.576 -3.246 163 2HB ARG 27 1HB ARG 27 -1.549 14.545 -1.914 164 1HG ARG 27 2HG ARG 27 0.538 13.496 -3.670 165 2HG ARG 27 1HG ARG 27 -0.601 14.577 -4.474 166 1HD ARG 27 2HD ARG 27 0.259 15.554 -1.864 167 2HD ARG 27 1HD ARG 27 1.594 15.341 -2.996 168 HE ARG 27 HE ARG 27 -0.320 17.405 -3.041 169 1HH1 ARG 27 1HH1 ARG 27 1.382 15.262 -5.222 170 2HH1 ARG 27 2HH1 ARG 27 1.303 16.363 -6.556 171 1HH2 ARG 27 1HH2 ARG 27 -0.418 18.845 -4.798 172 2HH2 ARG 27 2HH2 ARG 27 0.284 18.394 -6.317 173 H ASN 28 H ASN 28 -0.555 12.990 0.591 174 HA ASN 28 HA ASN 28 -3.034 11.728 1.483 175 1HB ASN 28 2HB ASN 28 -2.085 11.811 3.716 176 2HB ASN 28 1HB ASN 28 -0.901 11.139 2.603 177 1HD2 ASN 28 1HD2 ASN 28 -0.030 12.040 4.963 178 2HD2 ASN 28 2HD2 ASN 28 0.847 13.516 4.774 179 H GLU 29 H GLU 29 -3.650 13.039 3.759 180 HA GLU 29 HA GLU 29 -4.997 15.348 2.792 181 1HB GLU 29 2HB GLU 29 -5.185 13.631 5.033 182 2HB GLU 29 1HB GLU 29 -4.969 15.255 5.667 183 1HG GLU 29 2HG GLU 29 -6.890 15.201 3.507 184 2HG GLU 29 1HG GLU 29 -7.332 14.095 4.806 185 H ASN 30 H ASN 30 -2.047 14.808 4.584 186 HA ASN 30 HA ASN 30 -1.711 17.504 5.451 187 1HB ASN 30 2HB ASN 30 0.476 15.455 5.088 188 2HB ASN 30 1HB ASN 30 0.467 16.838 6.178 189 1HD2 ASN 30 1HD2 ASN 30 -1.082 16.810 7.935 190 2HD2 ASN 30 2HD2 ASN 30 -1.539 15.296 8.630 191 H GLY 31 H GLY 31 -0.904 15.729 2.555 192 1HA GLY 31 2HA GLY 31 -0.611 16.923 0.489 193 2HA GLY 31 1HA GLY 31 0.110 18.241 1.398 194 H HIS 32 H HIS 32 1.232 15.204 2.442 195 HA HIS 32 HA HIS 32 3.749 15.657 1.011 196 1HB HIS 32 2HB HIS 32 3.628 15.482 3.570 197 2HB HIS 32 1HB HIS 32 3.342 13.762 3.320 198 HD1 HIS 32 1HD HIS 32 5.346 12.316 2.782 199 HD2 HIS 32 2HD HIS 32 6.225 16.377 2.761 200 HE1 HIS 32 1HE HIS 32 7.850 12.461 2.624 201 HE2 HIS 32 2HE HIS 32 8.352 14.927 2.515 202 H THR 33 H THR 33 4.898 13.831 0.117 203 HA THR 33 HA THR 33 3.216 12.135 -1.407 204 HB THR 33 HB THR 33 6.199 11.927 -0.956 205 HG1 THR 33 1HG THR 33 4.712 13.288 -2.951 206 1HG2 THR 33 1HG2 THR 33 6.364 10.634 -2.881 207 2HG2 THR 33 2HG2 THR 33 4.720 11.018 -3.392 208 3HG2 THR 33 3HG2 THR 33 4.988 9.944 -2.019 209 H VAL 34 H VAL 34 2.608 10.070 -1.141 210 HA VAL 34 HA VAL 34 3.790 8.465 0.994 211 HB VAL 34 HB VAL 34 1.572 7.823 1.870 212 1HG1 VAL 34 1HG1 VAL 34 2.166 10.778 1.998 213 2HG1 VAL 34 2HG1 VAL 34 2.859 9.525 3.029 214 3HG1 VAL 34 3HG1 VAL 34 1.136 9.892 3.123 215 1HG2 VAL 34 1HG2 VAL 34 0.495 10.124 0.245 216 2HG2 VAL 34 2HG2 VAL 34 -0.415 9.046 1.303 217 3HG2 VAL 34 3HG2 VAL 34 0.300 8.425 -0.185 218 H TYR 35 H TYR 35 2.755 6.202 0.956 219 HA TYR 35 HA TYR 35 2.346 5.424 -1.860 220 1HB TYR 35 2HB TYR 35 3.429 3.586 0.268 221 2HB TYR 35 1HB TYR 35 3.528 3.417 -1.481 222 HD1 TYR 35 1HD TYR 35 4.808 5.455 -2.665 223 HD2 TYR 35 2HD TYR 35 5.345 4.228 1.373 224 HE1 TYR 35 1HE TYR 35 7.029 6.509 -2.648 225 HE2 TYR 35 2HE TYR 35 7.568 5.279 1.402 226 HH TYR 35 HH TYR 35 9.340 5.898 -0.860 227 H TYR 36 H TYR 36 0.428 4.565 -2.339 228 HA TYR 36 HA TYR 36 -1.124 3.332 -0.157 229 1HB TYR 36 2HB TYR 36 -1.874 5.431 -2.100 230 2HB TYR 36 1HB TYR 36 -3.078 4.175 -1.831 231 HD1 TYR 36 1HD TYR 36 -0.861 6.500 0.073 232 HD2 TYR 36 2HD TYR 36 -4.562 4.408 -0.068 233 HE1 TYR 36 1HE TYR 36 -1.576 7.637 2.134 234 HE2 TYR 36 2HE TYR 36 -5.288 5.540 1.990 235 HH TYR 36 HH TYR 36 -4.186 6.641 3.973 236 H CYS 37 H CYS 37 -2.872 1.880 -0.959 237 HA CYS 37 HA CYS 37 -1.795 0.177 -3.096 238 1HB CYS 37 2HB CYS 37 -3.591 -0.338 -0.741 239 2HB CYS 37 1HB CYS 37 -3.557 -1.455 -2.095 240 H ARG 38 H ARG 38 -2.856 -0.203 -4.943 241 HA ARG 38 HA ARG 38 -5.621 0.762 -5.191 242 1HB ARG 38 2HB ARG 38 -3.403 1.145 -7.211 243 2HB ARG 38 1HB ARG 38 -5.089 1.578 -7.460 244 1HG ARG 38 2HG ARG 38 -3.458 2.727 -5.218 245 2HG ARG 38 1HG ARG 38 -3.498 3.446 -6.829 246 1HD ARG 38 2HD ARG 38 -6.129 3.170 -6.396 247 2HD ARG 38 1HD ARG 38 -5.579 3.355 -4.731 248 HE ARG 38 HE ARG 38 -4.406 5.351 -6.325 249 1HH1 ARG 38 1HH1 ARG 38 -7.521 4.456 -5.007 250 2HH1 ARG 38 2HH1 ARG 38 -8.102 6.085 -4.957 251 1HH2 ARG 38 1HH2 ARG 38 -5.178 7.490 -6.255 252 2HH2 ARG 38 2HH2 ARG 38 -6.776 7.805 -5.664 253 H ALA 39 H ALA 39 -6.971 -0.679 -6.013 254 HA ALA 39 HA ALA 39 -6.099 -3.294 -6.690 255 1HB ALA 39 1HB ALA 39 -8.495 -3.686 -7.242 256 2HB ALA 39 2HB ALA 39 -8.794 -1.972 -6.953 257 3HB ALA 39 3HB ALA 39 -8.234 -3.003 -5.637 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -1.005 -14.216 2.205 2 2H GLY 1 2HT GLY 1 -2.448 -13.567 1.609 3 3H GLY 1 3HT GLY 1 -2.315 -15.233 1.868 4 1HA GLY 1 1HA GLY 1 -3.577 -14.402 3.661 5 2HA GLY 1 2HA GLY 1 -1.973 -14.769 4.277 6 H SER 2 H SER 2 -0.445 -12.961 4.455 7 HA SER 2 HA SER 2 -1.790 -10.638 5.534 8 1HB SER 2 2HB SER 2 1.195 -11.032 5.353 9 2HB SER 2 1HB SER 2 0.289 -10.060 6.511 10 HG SER 2 HG SER 2 0.488 -11.791 7.700 11 H CYS 3 H CYS 3 -2.343 -9.002 4.265 12 HA CYS 3 HA CYS 3 -0.401 -7.873 2.441 13 1HB CYS 3 2HB CYS 3 -1.940 -7.859 0.515 14 2HB CYS 3 1HB CYS 3 -1.513 -9.496 0.997 15 H VAL 4 H VAL 4 -1.249 -5.812 1.466 16 HA VAL 4 HA VAL 4 -2.607 -4.314 3.536 17 HB VAL 4 HB VAL 4 -1.304 -3.412 0.969 18 1HG1 VAL 4 1HG1 VAL 4 -1.327 -1.164 2.171 19 2HG1 VAL 4 2HG1 VAL 4 -2.543 -1.877 3.231 20 3HG1 VAL 4 3HG1 VAL 4 -2.855 -1.735 1.502 21 1HG2 VAL 4 1HG2 VAL 4 0.396 -4.249 2.339 22 2HG2 VAL 4 2HG2 VAL 4 -0.347 -3.604 3.804 23 3HG2 VAL 4 3HG2 VAL 4 0.403 -2.511 2.641 24 HA PRO 5 HA PRO 5 -6.489 -4.554 1.306 25 1HB PRO 5 2HB PRO 5 -7.357 -2.220 2.863 26 2HB PRO 5 1HB PRO 5 -8.000 -3.862 2.858 27 1HG PRO 5 2HG PRO 5 -6.620 -2.861 4.950 28 2HG PRO 5 1HG PRO 5 -6.558 -4.576 4.502 29 1HD PRO 5 2HD PRO 5 -4.569 -2.403 3.970 30 2HD PRO 5 1HD PRO 5 -4.297 -4.093 4.435 31 H VAL 6 H VAL 6 -7.203 -3.621 -0.546 32 HA VAL 6 HA VAL 6 -5.776 -1.566 -1.771 33 HB VAL 6 HB VAL 6 -8.557 -2.573 -2.400 34 1HG1 VAL 6 1HG1 VAL 6 -8.310 -0.459 -3.470 35 2HG1 VAL 6 2HG1 VAL 6 -8.043 -1.700 -4.694 36 3HG1 VAL 6 3HG1 VAL 6 -6.670 -0.847 -3.989 37 1HG2 VAL 6 1HG2 VAL 6 -5.814 -3.500 -3.013 38 2HG2 VAL 6 2HG2 VAL 6 -7.013 -3.615 -4.301 39 3HG2 VAL 6 3HG2 VAL 6 -7.294 -4.426 -2.760 40 H ASP 7 H ASP 7 -6.326 0.573 -2.215 41 HA ASP 7 HA ASP 7 -7.153 2.640 -1.859 42 1HB ASP 7 2HB ASP 7 -9.340 1.373 -0.208 43 2HB ASP 7 1HB ASP 7 -9.330 2.979 -0.923 44 H GLN 8 H GLN 8 -5.687 0.694 0.295 45 HA GLN 8 HA GLN 8 -5.758 2.736 2.405 46 1HB GLN 8 2HB GLN 8 -5.002 -0.170 2.724 47 2HB GLN 8 1HB GLN 8 -5.143 1.024 4.006 48 1HG GLN 8 2HG GLN 8 -7.424 0.100 2.275 49 2HG GLN 8 1HG GLN 8 -7.055 -0.532 3.879 50 1HE2 GLN 8 1HE2 GLN 8 -9.031 1.479 2.296 51 2HE2 GLN 8 2HE2 GLN 8 -9.389 2.618 3.545 52 HA PRO 9 HA PRO 9 -1.527 3.618 1.669 53 1HB PRO 9 2HB PRO 9 -0.538 3.922 4.205 54 2HB PRO 9 1HB PRO 9 -1.485 5.136 3.346 55 1HG PRO 9 2HG PRO 9 -2.356 3.169 5.419 56 2HG PRO 9 1HG PRO 9 -2.835 4.861 5.214 57 1HD PRO 9 2HD PRO 9 -4.409 2.812 4.446 58 2HD PRO 9 1HD PRO 9 -4.379 4.360 3.579 59 H CYS 10 H CYS 10 0.343 2.630 1.357 60 HA CYS 10 HA CYS 10 0.976 0.219 2.912 61 1HB CYS 10 2HB CYS 10 1.883 -0.739 0.718 62 2HB CYS 10 1HB CYS 10 0.139 -0.713 0.915 63 H SER 11 H SER 11 3.334 -0.491 2.046 64 HA SER 11 HA SER 11 5.030 1.875 1.788 65 1HB SER 11 2HB SER 11 4.643 0.873 4.263 66 2HB SER 11 1HB SER 11 5.993 -0.132 3.740 67 HG SER 11 HG SER 11 5.880 2.688 3.926 68 H LEU 12 H LEU 12 7.115 1.458 1.001 69 HA LEU 12 HA LEU 12 7.242 -0.663 -0.878 70 1HB LEU 12 2HB LEU 12 9.564 0.158 -1.295 71 2HB LEU 12 1HB LEU 12 8.309 1.369 -1.462 72 HG LEU 12 HG LEU 12 8.904 2.181 0.848 73 1HD1 LEU 12 1HD1 LEU 12 11.457 1.453 1.252 74 2HD1 LEU 12 2HD1 LEU 12 10.811 -0.048 0.588 75 3HD1 LEU 12 3HD1 LEU 12 10.082 0.666 2.026 76 1HD2 LEU 12 1HD2 LEU 12 9.776 3.037 -1.438 77 2HD2 LEU 12 2HD2 LEU 12 11.305 2.327 -0.921 78 3HD2 LEU 12 3HD2 LEU 12 10.547 3.591 0.048 79 H ASN 13 H ASN 13 8.220 -0.409 2.418 80 HA ASN 13 HA ASN 13 9.890 -2.804 2.157 81 1HB ASN 13 2HB ASN 13 10.709 -2.226 4.434 82 2HB ASN 13 1HB ASN 13 11.033 -0.973 3.240 83 1HD2 ASN 13 1HD2 ASN 13 11.267 0.465 5.028 84 2HD2 ASN 13 2HD2 ASN 13 9.872 1.145 5.786 85 H THR 14 H THR 14 6.761 -2.328 2.527 86 HA THR 14 HA THR 14 6.454 -4.216 4.753 87 HB THR 14 HB THR 14 4.099 -3.422 4.846 88 HG1 THR 14 1HG THR 14 3.360 -2.025 3.447 89 1HG2 THR 14 1HG2 THR 14 4.648 -0.982 5.473 90 2HG2 THR 14 2HG2 THR 14 6.323 -1.467 5.204 91 3HG2 THR 14 3HG2 THR 14 5.348 -2.295 6.419 92 H GLN 15 H GLN 15 4.109 -5.349 4.355 93 HA GLN 15 HA GLN 15 4.569 -7.220 2.291 94 1HB GLN 15 2HB GLN 15 2.015 -6.708 3.825 95 2HB GLN 15 1HB GLN 15 2.419 -8.166 2.934 96 1HG GLN 15 2HG GLN 15 4.071 -7.187 5.236 97 2HG GLN 15 1HG GLN 15 2.674 -8.240 5.452 98 1HE2 GLN 15 1HE2 GLN 15 2.780 -10.080 3.628 99 2HE2 GLN 15 2HE2 GLN 15 4.266 -10.961 3.648 100 HA PRO 16 HA PRO 16 2.658 -5.388 -1.247 101 1HB PRO 16 2HB PRO 16 1.357 -7.525 -2.362 102 2HB PRO 16 1HB PRO 16 3.098 -7.256 -2.494 103 1HG PRO 16 2HG PRO 16 1.589 -9.044 -0.626 104 2HG PRO 16 1HG PRO 16 3.094 -9.361 -1.511 105 1HD PRO 16 2HD PRO 16 3.092 -8.714 1.100 106 2HD PRO 16 1HD PRO 16 4.382 -8.177 0.003 107 H CYS 17 H CYS 17 0.404 -5.456 -2.463 108 HA CYS 17 HA CYS 17 -1.567 -4.793 -0.440 109 1HB CYS 17 2HB CYS 17 -1.738 -4.521 -3.446 110 2HB CYS 17 1HB CYS 17 -2.851 -3.829 -2.271 111 H CYS 18 H CYS 18 -3.917 -5.322 -1.187 112 HA CYS 18 HA CYS 18 -4.045 -8.236 -1.505 113 1HB CYS 18 2HB CYS 18 -6.152 -6.346 -0.438 114 2HB CYS 18 1HB CYS 18 -6.216 -8.101 -0.406 115 H ASP 19 H ASP 19 -6.067 -9.039 -2.608 116 HA ASP 19 HA ASP 19 -7.242 -9.281 -4.546 117 1HB ASP 19 2HB ASP 19 -7.596 -6.332 -4.020 118 2HB ASP 19 1HB ASP 19 -8.393 -7.150 -5.360 119 H ASP 20 H ASP 20 -4.365 -8.794 -4.722 120 HA ASP 20 HA ASP 20 -2.774 -8.560 -6.324 121 1HB ASP 20 2HB ASP 20 -4.738 -9.696 -7.666 122 2HB ASP 20 1HB ASP 20 -4.831 -8.123 -8.453 123 H ALA 21 H ALA 21 -3.655 -6.278 -4.896 124 HA ALA 21 HA ALA 21 -3.863 -4.067 -6.732 125 1HB ALA 21 1HB ALA 21 -3.932 -4.422 -3.809 126 2HB ALA 21 2HB ALA 21 -4.912 -3.392 -4.850 127 3HB ALA 21 3HB ALA 21 -3.293 -2.878 -4.375 128 H THR 22 H THR 22 -2.300 -2.136 -6.179 129 HA THR 22 HA THR 22 0.457 -3.104 -5.976 130 HB THR 22 HB THR 22 -0.563 -1.238 -8.125 131 HG1 THR 22 1HG THR 22 -0.567 -2.911 -9.405 132 1HG2 THR 22 1HG2 THR 22 1.511 -0.572 -8.429 133 2HG2 THR 22 2HG2 THR 22 1.988 -2.242 -8.738 134 3HG2 THR 22 3HG2 THR 22 2.063 -1.592 -7.100 135 H CYS 23 H CYS 23 1.837 -1.741 -4.936 136 HA CYS 23 HA CYS 23 0.661 0.452 -3.478 137 1HB CYS 23 2HB CYS 23 2.439 -1.258 -2.655 138 2HB CYS 23 1HB CYS 23 3.593 -0.235 -3.500 139 H THR 24 H THR 24 0.409 2.374 -4.445 140 HA THR 24 HA THR 24 2.507 3.297 -6.286 141 HB THR 24 HB THR 24 -0.480 3.732 -6.373 142 HG1 THR 24 1HG THR 24 -0.418 2.408 -8.018 143 1HG2 THR 24 1HG2 THR 24 0.574 5.833 -6.991 144 2HG2 THR 24 2HG2 THR 24 -0.151 5.047 -8.393 145 3HG2 THR 24 3HG2 THR 24 1.595 4.988 -8.154 146 H GLN 25 H GLN 25 2.868 5.543 -6.411 147 HA GLN 25 HA GLN 25 2.947 6.846 -3.868 148 1HB GLN 25 2HB GLN 25 4.807 7.103 -5.382 149 2HB GLN 25 1HB GLN 25 3.750 7.712 -6.649 150 1HG GLN 25 2HG GLN 25 3.434 9.751 -5.566 151 2HG GLN 25 1HG GLN 25 4.047 9.133 -4.035 152 1HE2 GLN 25 1HE2 GLN 25 6.370 8.331 -4.173 153 2HE2 GLN 25 2HE2 GLN 25 7.476 9.343 -5.032 154 H GLU 26 H GLU 26 1.684 8.443 -3.117 155 HA GLU 26 HA GLU 26 -0.129 9.884 -4.858 156 1HB GLU 26 2HB GLU 26 -1.215 8.249 -2.560 157 2HB GLU 26 1HB GLU 26 -2.141 9.284 -3.636 158 1HG GLU 26 2HG GLU 26 -1.520 7.819 -5.522 159 2HG GLU 26 1HG GLU 26 -0.698 6.753 -4.384 160 H ARG 27 H ARG 27 -1.648 11.263 -3.252 161 HA ARG 27 HA ARG 27 0.222 12.560 -1.388 162 1HB ARG 27 2HB ARG 27 -2.112 13.645 -2.963 163 2HB ARG 27 1HB ARG 27 -1.327 14.549 -1.675 164 1HG ARG 27 2HG ARG 27 0.828 13.925 -3.123 165 2HG ARG 27 1HG ARG 27 -0.387 13.925 -4.403 166 1HD ARG 27 2HD ARG 27 -1.043 16.198 -3.098 167 2HD ARG 27 1HD ARG 27 0.696 16.156 -2.814 168 HE ARG 27 HE ARG 27 0.993 16.755 -4.987 169 1HH1 ARG 27 1HH1 ARG 27 -2.165 15.275 -4.716 170 2HH1 ARG 27 2HH1 ARG 27 -2.583 15.583 -6.367 171 1HH2 ARG 27 1HH2 ARG 27 0.437 17.155 -7.154 172 2HH2 ARG 27 2HH2 ARG 27 -1.109 16.647 -7.749 173 H ASN 28 H ASN 28 -0.466 13.187 0.665 174 HA ASN 28 HA ASN 28 -2.888 11.804 1.605 175 1HB ASN 28 2HB ASN 28 -1.844 11.752 3.813 176 2HB ASN 28 1HB ASN 28 -0.779 11.028 2.615 177 1HD2 ASN 28 1HD2 ASN 28 0.345 11.733 4.899 178 2HD2 ASN 28 2HD2 ASN 28 1.303 13.160 4.723 179 H GLU 29 H GLU 29 -3.422 12.966 3.939 180 HA GLU 29 HA GLU 29 -4.674 15.396 3.199 181 1HB GLU 29 2HB GLU 29 -4.381 13.856 5.749 182 2HB GLU 29 1HB GLU 29 -5.013 15.496 5.801 183 1HG GLU 29 2HG GLU 29 -6.779 14.848 4.224 184 2HG GLU 29 1HG GLU 29 -6.161 13.197 4.235 185 H ASN 30 H ASN 30 -1.672 14.621 4.809 186 HA ASN 30 HA ASN 30 -1.186 17.247 5.820 187 1HB ASN 30 2HB ASN 30 0.768 14.995 5.304 188 2HB ASN 30 1HB ASN 30 1.080 16.428 6.278 189 1HD2 ASN 30 1HD2 ASN 30 1.399 13.901 7.296 190 2HD2 ASN 30 2HD2 ASN 30 0.194 13.608 8.499 191 H GLY 31 H GLY 31 -0.567 15.604 2.800 192 1HA GLY 31 2HA GLY 31 -0.295 16.903 0.795 193 2HA GLY 31 1HA GLY 31 0.520 18.132 1.748 194 H HIS 32 H HIS 32 1.636 15.103 2.690 195 HA HIS 32 HA HIS 32 4.066 15.495 1.115 196 1HB HIS 32 2HB HIS 32 3.512 14.637 3.799 197 2HB HIS 32 1HB HIS 32 4.403 13.369 2.964 198 HD1 HIS 32 1HD HIS 32 4.988 16.226 4.958 199 HD2 HIS 32 2HD HIS 32 6.790 14.658 1.558 200 HE1 HIS 32 1HE HIS 32 7.282 17.253 4.879 201 HE2 HIS 32 2HE HIS 32 8.384 16.223 2.861 202 H THR 33 H THR 33 5.128 13.641 0.137 203 HA THR 33 HA THR 33 3.331 12.082 -1.401 204 HB THR 33 HB THR 33 6.314 11.739 -1.036 205 HG1 THR 33 1HG THR 33 5.617 13.803 -1.854 206 1HG2 THR 33 1HG2 THR 33 6.390 10.445 -2.949 207 2HG2 THR 33 2HG2 THR 33 4.783 10.945 -3.475 208 3HG2 THR 33 3HG2 THR 33 4.960 9.832 -2.118 209 H VAL 34 H VAL 34 2.458 10.166 -1.030 210 HA VAL 34 HA VAL 34 3.642 8.420 1.018 211 HB VAL 34 HB VAL 34 1.372 7.815 1.797 212 1HG1 VAL 34 1HG1 VAL 34 2.886 9.804 2.671 213 2HG1 VAL 34 2HG1 VAL 34 1.290 9.484 3.349 214 3HG1 VAL 34 3HG1 VAL 34 1.499 10.760 2.151 215 1HG2 VAL 34 1HG2 VAL 34 0.573 9.961 -0.143 216 2HG2 VAL 34 2HG2 VAL 34 -0.444 9.536 1.235 217 3HG2 VAL 34 3HG2 VAL 34 -0.057 8.321 0.016 218 H TYR 35 H TYR 35 2.479 6.198 0.915 219 HA TYR 35 HA TYR 35 2.127 5.479 -1.924 220 1HB TYR 35 2HB TYR 35 3.240 3.625 0.178 221 2HB TYR 35 1HB TYR 35 3.280 3.437 -1.571 222 HD1 TYR 35 1HD TYR 35 5.208 4.006 -2.719 223 HD2 TYR 35 2HD TYR 35 4.509 5.726 1.109 224 HE1 TYR 35 1HE TYR 35 7.434 5.047 -2.788 225 HE2 TYR 35 2HE TYR 35 6.734 6.774 1.050 226 HH TYR 35 HH TYR 35 8.512 7.165 -1.653 227 H TYR 36 H TYR 36 0.256 4.533 -2.439 228 HA TYR 36 HA TYR 36 -1.328 3.323 -0.270 229 1HB TYR 36 2HB TYR 36 -2.077 5.368 -2.279 230 2HB TYR 36 1HB TYR 36 -3.271 4.116 -1.958 231 HD1 TYR 36 1HD TYR 36 -0.953 6.278 0.036 232 HD2 TYR 36 2HD TYR 36 -4.862 4.653 -0.387 233 HE1 TYR 36 1HE TYR 36 -1.667 7.485 2.055 234 HE2 TYR 36 2HE TYR 36 -5.587 5.856 1.631 235 HH TYR 36 HH TYR 36 -3.969 6.849 3.861 236 H CYS 37 H CYS 37 -3.041 1.834 -1.083 237 HA CYS 37 HA CYS 37 -1.903 0.117 -3.176 238 1HB CYS 37 2HB CYS 37 -3.748 -0.388 -0.855 239 2HB CYS 37 1HB CYS 37 -3.642 -1.534 -2.182 240 H ARG 38 H ARG 38 -2.916 -0.288 -5.039 241 HA ARG 38 HA ARG 38 -5.693 0.623 -5.352 242 1HB ARG 38 2HB ARG 38 -3.462 1.009 -7.359 243 2HB ARG 38 1HB ARG 38 -5.146 1.461 -7.592 244 1HG ARG 38 2HG ARG 38 -3.394 2.591 -5.425 245 2HG ARG 38 1HG ARG 38 -3.625 3.344 -7.004 246 1HD ARG 38 2HD ARG 38 -6.179 3.022 -6.348 247 2HD ARG 38 1HD ARG 38 -5.504 3.086 -4.720 248 HE ARG 38 HE ARG 38 -4.487 5.217 -6.265 249 1HH1 ARG 38 1HH1 ARG 38 -7.433 4.181 -4.683 250 2HH1 ARG 38 2HH1 ARG 38 -8.007 5.795 -4.433 251 1HH2 ARG 38 1HH2 ARG 38 -5.250 7.332 -5.931 252 2HH2 ARG 38 2HH2 ARG 38 -6.771 7.581 -5.141 253 H ALA 39 H ALA 39 -6.997 -0.856 -6.173 254 HA ALA 39 HA ALA 39 -6.063 -3.456 -6.823 255 1HB ALA 39 1HB ALA 39 -8.169 -3.545 -5.929 256 2HB ALA 39 2HB ALA 39 -8.555 -3.640 -7.648 257 3HB ALA 39 3HB ALA 39 -8.716 -2.107 -6.791 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 1.292 -14.367 4.707 2 2H GLY 1 2HT GLY 1 1.159 -15.948 4.120 3 3H GLY 1 3HT GLY 1 0.696 -15.595 5.708 4 1HA GLY 1 1HA GLY 1 -0.679 -14.950 3.186 5 2HA GLY 1 2HA GLY 1 -1.327 -15.717 4.627 6 H SER 2 H SER 2 0.233 -12.647 3.697 7 HA SER 2 HA SER 2 -1.974 -11.191 4.918 8 1HB SER 2 2HB SER 2 0.715 -10.184 5.676 9 2HB SER 2 1HB SER 2 -0.801 -10.146 6.578 10 HG SER 2 HG SER 2 -0.062 -11.807 7.610 11 H CYS 3 H CYS 3 -2.287 -9.145 4.073 12 HA CYS 3 HA CYS 3 -0.343 -8.011 2.254 13 1HB CYS 3 2HB CYS 3 -1.939 -7.876 0.369 14 2HB CYS 3 1HB CYS 3 -1.521 -9.537 0.769 15 H VAL 4 H VAL 4 -1.190 -5.901 1.341 16 HA VAL 4 HA VAL 4 -2.444 -4.429 3.497 17 HB VAL 4 HB VAL 4 -1.189 -3.492 0.919 18 1HG1 VAL 4 1HG1 VAL 4 -1.133 -1.273 2.159 19 2HG1 VAL 4 2HG1 VAL 4 -2.323 -1.978 3.252 20 3HG1 VAL 4 3HG1 VAL 4 -2.697 -1.798 1.538 21 1HG2 VAL 4 1HG2 VAL 4 0.435 -4.510 2.368 22 2HG2 VAL 4 2HG2 VAL 4 -0.149 -3.573 3.744 23 3HG2 VAL 4 3HG2 VAL 4 0.654 -2.760 2.399 24 HA PRO 5 HA PRO 5 -6.395 -4.528 1.385 25 1HB PRO 5 2HB PRO 5 -7.162 -2.199 3.001 26 2HB PRO 5 1HB PRO 5 -7.840 -3.827 2.992 27 1HG PRO 5 2HG PRO 5 -6.373 -2.883 5.053 28 2HG PRO 5 1HG PRO 5 -6.373 -4.594 4.585 29 1HD PRO 5 2HD PRO 5 -4.338 -2.473 4.026 30 2HD PRO 5 1HD PRO 5 -4.103 -4.181 4.452 31 H VAL 6 H VAL 6 -7.132 -3.561 -0.433 32 HA VAL 6 HA VAL 6 -5.707 -1.511 -1.669 33 HB VAL 6 HB VAL 6 -8.517 -2.465 -2.244 34 1HG1 VAL 6 1HG1 VAL 6 -8.017 -0.244 -3.217 35 2HG1 VAL 6 2HG1 VAL 6 -8.265 -1.495 -4.435 36 3HG1 VAL 6 3HG1 VAL 6 -6.632 -0.954 -4.046 37 1HG2 VAL 6 1HG2 VAL 6 -5.814 -3.464 -2.882 38 2HG2 VAL 6 2HG2 VAL 6 -6.995 -3.502 -4.190 39 3HG2 VAL 6 3HG2 VAL 6 -7.330 -4.342 -2.676 40 H ASP 7 H ASP 7 -6.235 0.638 -2.078 41 HA ASP 7 HA ASP 7 -7.013 2.713 -1.670 42 1HB ASP 7 2HB ASP 7 -9.206 1.448 -0.024 43 2HB ASP 7 1HB ASP 7 -9.173 3.073 -0.696 44 H GLN 8 H GLN 8 -5.536 0.719 0.418 45 HA GLN 8 HA GLN 8 -5.569 2.707 2.578 46 1HB GLN 8 2HB GLN 8 -4.792 -0.196 2.843 47 2HB GLN 8 1HB GLN 8 -5.004 0.970 4.141 48 1HG GLN 8 2HG GLN 8 -7.154 -0.143 2.358 49 2HG GLN 8 1HG GLN 8 -6.890 -0.517 4.060 50 1HE2 GLN 8 1HE2 GLN 8 -6.511 1.859 5.213 51 2HE2 GLN 8 2HE2 GLN 8 -7.899 2.871 5.029 52 HA PRO 9 HA PRO 9 -1.336 3.546 1.807 53 1HB PRO 9 2HB PRO 9 -0.302 3.795 4.329 54 2HB PRO 9 1HB PRO 9 -1.252 5.034 3.509 55 1HG PRO 9 2HG PRO 9 -2.099 3.048 5.572 56 2HG PRO 9 1HG PRO 9 -2.577 4.743 5.389 57 1HD PRO 9 2HD PRO 9 -4.158 2.687 4.628 58 2HD PRO 9 1HD PRO 9 -4.168 4.256 3.801 59 H CYS 10 H CYS 10 0.513 2.537 1.446 60 HA CYS 10 HA CYS 10 1.101 0.060 2.917 61 1HB CYS 10 2HB CYS 10 2.043 -0.782 0.677 62 2HB CYS 10 1HB CYS 10 0.298 -0.772 0.873 63 H SER 11 H SER 11 3.454 -0.653 2.058 64 HA SER 11 HA SER 11 5.208 1.686 1.972 65 1HB SER 11 2HB SER 11 4.762 0.516 4.364 66 2HB SER 11 1HB SER 11 6.091 -0.488 3.785 67 HG SER 11 HG SER 11 7.177 1.585 3.344 68 H LEU 12 H LEU 12 7.426 1.150 1.360 69 HA LEU 12 HA LEU 12 7.452 -0.836 -0.712 70 1HB LEU 12 2HB LEU 12 9.884 -0.060 -0.940 71 2HB LEU 12 1HB LEU 12 8.606 1.073 -1.327 72 HG LEU 12 HG LEU 12 8.930 2.244 0.761 73 1HD1 LEU 12 1HD1 LEU 12 11.031 1.482 2.108 74 2HD1 LEU 12 2HD1 LEU 12 10.675 -0.091 1.395 75 3HD1 LEU 12 3HD1 LEU 12 9.468 0.719 2.395 76 1HD2 LEU 12 1HD2 LEU 12 11.267 1.729 -0.996 77 2HD2 LEU 12 2HD2 LEU 12 11.504 2.692 0.462 78 3HD2 LEU 12 3HD2 LEU 12 10.335 3.206 -0.755 79 H ASN 13 H ASN 13 8.273 -0.856 2.605 80 HA ASN 13 HA ASN 13 9.968 -3.222 2.230 81 1HB ASN 13 2HB ASN 13 10.772 -2.798 4.530 82 2HB ASN 13 1HB ASN 13 11.085 -1.445 3.448 83 1HD2 ASN 13 1HD2 ASN 13 10.463 -1.948 6.463 84 2HD2 ASN 13 2HD2 ASN 13 9.373 -0.661 6.835 85 H THR 14 H THR 14 6.835 -2.734 2.572 86 HA THR 14 HA THR 14 6.473 -4.759 4.671 87 HB THR 14 HB THR 14 4.157 -3.944 4.841 88 HG1 THR 14 1HG THR 14 4.015 -3.176 2.658 89 1HG2 THR 14 1HG2 THR 14 5.085 -2.680 6.419 90 2HG2 THR 14 2HG2 THR 14 4.948 -1.367 5.250 91 3HG2 THR 14 3HG2 THR 14 6.462 -2.256 5.403 92 H GLN 15 H GLN 15 4.119 -5.823 4.174 93 HA GLN 15 HA GLN 15 4.585 -7.566 1.996 94 1HB GLN 15 2HB GLN 15 2.009 -7.164 3.524 95 2HB GLN 15 1HB GLN 15 2.475 -8.582 2.601 96 1HG GLN 15 2HG GLN 15 4.208 -7.705 4.851 97 2HG GLN 15 1HG GLN 15 2.692 -8.533 5.206 98 1HE2 GLN 15 1HE2 GLN 15 5.813 -9.084 5.041 99 2HE2 GLN 15 2HE2 GLN 15 5.845 -10.701 4.433 100 HA PRO 16 HA PRO 16 2.660 -5.534 -1.425 101 1HB PRO 16 2HB PRO 16 1.272 -7.580 -2.611 102 2HB PRO 16 1HB PRO 16 3.017 -7.352 -2.769 103 1HG PRO 16 2HG PRO 16 1.500 -9.179 -0.946 104 2HG PRO 16 1HG PRO 16 2.970 -9.502 -1.885 105 1HD PRO 16 2HD PRO 16 3.070 -8.979 0.745 106 2HD PRO 16 1HD PRO 16 4.334 -8.408 -0.363 107 H CYS 17 H CYS 17 0.378 -5.488 -2.599 108 HA CYS 17 HA CYS 17 -1.524 -4.840 -0.510 109 1HB CYS 17 2HB CYS 17 -1.771 -4.485 -3.502 110 2HB CYS 17 1HB CYS 17 -2.833 -3.798 -2.277 111 H CYS 18 H CYS 18 -3.906 -5.289 -1.204 112 HA CYS 18 HA CYS 18 -4.121 -8.189 -1.591 113 1HB CYS 18 2HB CYS 18 -6.142 -6.271 -0.410 114 2HB CYS 18 1HB CYS 18 -6.255 -8.026 -0.425 115 H ASP 19 H ASP 19 -6.189 -8.913 -2.654 116 HA ASP 19 HA ASP 19 -7.419 -9.078 -4.566 117 1HB ASP 19 2HB ASP 19 -7.725 -6.159 -3.892 118 2HB ASP 19 1HB ASP 19 -8.542 -6.879 -5.276 119 H ASP 20 H ASP 20 -4.552 -8.645 -4.826 120 HA ASP 20 HA ASP 20 -3.009 -8.392 -6.468 121 1HB ASP 20 2HB ASP 20 -5.296 -7.928 -8.384 122 2HB ASP 20 1HB ASP 20 -3.685 -8.533 -8.754 123 H ALA 21 H ALA 21 -3.772 -6.143 -4.923 124 HA ALA 21 HA ALA 21 -3.943 -3.859 -6.685 125 1HB ALA 21 1HB ALA 21 -4.003 -4.306 -3.772 126 2HB ALA 21 2HB ALA 21 -4.974 -3.230 -4.775 127 3HB ALA 21 3HB ALA 21 -3.342 -2.760 -4.300 128 H THR 22 H THR 22 -2.318 -2.000 -6.115 129 HA THR 22 HA THR 22 0.406 -3.053 -5.904 130 HB THR 22 HB THR 22 -0.554 -1.174 -8.071 131 HG1 THR 22 1HG THR 22 -1.105 -3.208 -8.663 132 1HG2 THR 22 1HG2 THR 22 1.620 -0.493 -7.763 133 2HG2 THR 22 2HG2 THR 22 1.789 -1.753 -8.985 134 3HG2 THR 22 3HG2 THR 22 2.170 -2.103 -7.299 135 H CYS 23 H CYS 23 1.847 -1.709 -4.905 136 HA CYS 23 HA CYS 23 0.743 0.490 -3.408 137 1HB CYS 23 2HB CYS 23 2.529 -1.241 -2.654 138 2HB CYS 23 1HB CYS 23 3.665 -0.220 -3.526 139 H THR 24 H THR 24 0.485 2.427 -4.341 140 HA THR 24 HA THR 24 2.552 3.359 -6.214 141 HB THR 24 HB THR 24 -0.439 3.753 -6.282 142 HG1 THR 24 1HG THR 24 -0.299 2.244 -7.703 143 1HG2 THR 24 1HG2 THR 24 0.410 5.886 -6.892 144 2HG2 THR 24 2HG2 THR 24 -0.047 5.049 -8.376 145 3HG2 THR 24 3HG2 THR 24 1.652 5.165 -7.916 146 H GLN 25 H GLN 25 2.903 5.607 -6.331 147 HA GLN 25 HA GLN 25 2.981 6.902 -3.778 148 1HB GLN 25 2HB GLN 25 4.852 7.166 -5.266 149 2HB GLN 25 1HB GLN 25 3.811 7.744 -6.560 150 1HG GLN 25 2HG GLN 25 3.442 9.798 -5.484 151 2HG GLN 25 1HG GLN 25 4.109 9.209 -3.965 152 1HE2 GLN 25 1HE2 GLN 25 6.410 8.713 -3.929 153 2HE2 GLN 25 2HE2 GLN 25 7.483 9.631 -4.923 154 H GLU 26 H GLU 26 1.596 8.358 -2.989 155 HA GLU 26 HA GLU 26 -0.198 9.806 -4.780 156 1HB GLU 26 2HB GLU 26 -1.208 8.235 -2.403 157 2HB GLU 26 1HB GLU 26 -2.174 9.247 -3.467 158 1HG GLU 26 2HG GLU 26 -1.586 7.743 -5.347 159 2HG GLU 26 1HG GLU 26 -0.764 6.693 -4.195 160 H ARG 27 H ARG 27 -1.705 11.220 -3.181 161 HA ARG 27 HA ARG 27 0.165 12.546 -1.326 162 1HB ARG 27 2HB ARG 27 -1.870 13.650 -3.235 163 2HB ARG 27 1HB ARG 27 -1.395 14.575 -1.817 164 1HG ARG 27 2HG ARG 27 1.030 13.918 -2.807 165 2HG ARG 27 1HG ARG 27 0.083 14.010 -4.292 166 1HD ARG 27 2HD ARG 27 0.103 16.173 -2.196 167 2HD ARG 27 1HD ARG 27 1.197 16.152 -3.579 168 HE ARG 27 HE ARG 27 -1.541 15.909 -4.355 169 1HH1 ARG 27 1HH1 ARG 27 0.917 18.218 -3.422 170 2HH1 ARG 27 2HH1 ARG 27 0.168 19.534 -4.259 171 1HH2 ARG 27 1HH2 ARG 27 -2.518 17.645 -5.451 172 2HH2 ARG 27 2HH2 ARG 27 -1.779 19.210 -5.409 173 H ASN 28 H ASN 28 -0.526 13.093 0.695 174 HA ASN 28 HA ASN 28 -3.088 11.946 1.523 175 1HB ASN 28 2HB ASN 28 -2.202 12.060 3.801 176 2HB ASN 28 1HB ASN 28 -1.076 11.221 2.740 177 1HD2 ASN 28 1HD2 ASN 28 -0.059 12.068 5.008 178 2HD2 ASN 28 2HD2 ASN 28 0.928 13.469 4.790 179 H GLU 29 H GLU 29 -3.801 13.273 3.702 180 HA GLU 29 HA GLU 29 -4.957 15.647 2.703 181 1HB GLU 29 2HB GLU 29 -5.290 13.984 4.951 182 2HB GLU 29 1HB GLU 29 -4.946 15.584 5.591 183 1HG GLU 29 2HG GLU 29 -6.868 15.636 3.412 184 2HG GLU 29 1HG GLU 29 -7.394 14.642 4.770 185 H ASN 30 H ASN 30 -2.063 14.999 4.549 186 HA ASN 30 HA ASN 30 -1.603 17.701 5.349 187 1HB ASN 30 2HB ASN 30 0.180 15.267 5.239 188 2HB ASN 30 1HB ASN 30 0.739 16.834 5.816 189 1HD2 ASN 30 1HD2 ASN 30 0.102 17.566 7.798 190 2HD2 ASN 30 2HD2 ASN 30 -0.772 16.599 8.931 191 H GLY 31 H GLY 31 -0.833 15.793 2.527 192 1HA GLY 31 2HA GLY 31 -0.438 16.910 0.435 193 2HA GLY 31 1HA GLY 31 0.343 18.208 1.320 194 H HIS 32 H HIS 32 1.389 15.300 2.613 195 HA HIS 32 HA HIS 32 3.915 15.548 1.189 196 1HB HIS 32 2HB HIS 32 3.132 14.793 3.842 197 2HB HIS 32 1HB HIS 32 4.036 13.465 3.124 198 HD1 HIS 32 1HD HIS 32 6.175 13.766 4.434 199 HD2 HIS 32 2HD HIS 32 4.961 17.234 2.492 200 HE1 HIS 32 1HE HIS 32 8.098 15.371 4.659 201 HE2 HIS 32 2HE HIS 32 7.378 17.426 3.394 202 H THR 33 H THR 33 4.974 13.743 0.223 203 HA THR 33 HA THR 33 3.245 12.110 -1.317 204 HB THR 33 HB THR 33 6.231 11.861 -0.905 205 HG1 THR 33 1HG THR 33 4.690 13.298 -2.797 206 1HG2 THR 33 1HG2 THR 33 6.374 10.410 -2.627 207 2HG2 THR 33 2HG2 THR 33 4.951 11.060 -3.441 208 3HG2 THR 33 3HG2 THR 33 4.760 9.970 -2.068 209 H VAL 34 H VAL 34 2.494 10.122 -0.999 210 HA VAL 34 HA VAL 34 3.683 8.446 1.094 211 HB VAL 34 HB VAL 34 1.430 7.803 1.892 212 1HG1 VAL 34 1HG1 VAL 34 2.919 9.838 2.727 213 2HG1 VAL 34 2HG1 VAL 34 1.349 9.467 3.440 214 3HG1 VAL 34 3HG1 VAL 34 1.490 10.748 2.236 215 1HG2 VAL 34 1HG2 VAL 34 0.525 10.050 0.094 216 2HG2 VAL 34 2HG2 VAL 34 -0.478 9.297 1.334 217 3HG2 VAL 34 3HG2 VAL 34 0.096 8.344 -0.034 218 H TYR 35 H TYR 35 2.609 6.196 1.013 219 HA TYR 35 HA TYR 35 2.249 5.445 -1.817 220 1HB TYR 35 2HB TYR 35 3.361 3.604 0.296 221 2HB TYR 35 1HB TYR 35 3.446 3.439 -1.454 222 HD1 TYR 35 1HD TYR 35 4.866 5.134 -2.739 223 HD2 TYR 35 2HD TYR 35 5.103 4.629 1.478 224 HE1 TYR 35 1HE TYR 35 7.075 6.215 -2.740 225 HE2 TYR 35 2HE TYR 35 7.311 5.710 1.490 226 HH TYR 35 HH TYR 35 9.193 6.072 -0.165 227 H TYR 36 H TYR 36 0.348 4.558 -2.310 228 HA TYR 36 HA TYR 36 -1.200 3.293 -0.144 229 1HB TYR 36 2HB TYR 36 -1.989 5.363 -2.118 230 2HB TYR 36 1HB TYR 36 -3.177 4.116 -1.759 231 HD1 TYR 36 1HD TYR 36 -0.888 6.493 -0.007 232 HD2 TYR 36 2HD TYR 36 -4.612 4.433 0.029 233 HE1 TYR 36 1HE TYR 36 -1.533 7.705 2.033 234 HE2 TYR 36 2HE TYR 36 -5.266 5.640 2.069 235 HH TYR 36 HH TYR 36 -4.699 7.750 3.222 236 H CYS 37 H CYS 37 -2.927 1.829 -0.960 237 HA CYS 37 HA CYS 37 -1.829 0.157 -3.110 238 1HB CYS 37 2HB CYS 37 -3.633 -0.394 -0.768 239 2HB CYS 37 1HB CYS 37 -3.571 -1.505 -2.126 240 H ARG 38 H ARG 38 -2.882 -0.221 -4.961 241 HA ARG 38 HA ARG 38 -5.659 0.705 -5.208 242 1HB ARG 38 2HB ARG 38 -3.438 1.176 -7.206 243 2HB ARG 38 1HB ARG 38 -5.130 1.579 -7.457 244 1HG ARG 38 2HG ARG 38 -3.555 2.711 -5.171 245 2HG ARG 38 1HG ARG 38 -3.566 3.459 -6.769 246 1HD ARG 38 2HD ARG 38 -6.206 3.134 -6.399 247 2HD ARG 38 1HD ARG 38 -5.690 3.311 -4.722 248 HE ARG 38 HE ARG 38 -4.526 5.339 -6.296 249 1HH1 ARG 38 1HH1 ARG 38 -7.621 4.392 -4.970 250 2HH1 ARG 38 2HH1 ARG 38 -8.221 6.014 -4.896 251 1HH2 ARG 38 1HH2 ARG 38 -5.321 7.467 -6.196 252 2HH2 ARG 38 2HH2 ARG 38 -6.919 7.757 -5.591 253 H ALA 39 H ALA 39 -6.978 -0.739 -6.071 254 HA ALA 39 HA ALA 39 -6.036 -3.318 -6.832 255 1HB ALA 39 1HB ALA 39 -8.113 -3.416 -5.835 256 2HB ALA 39 2HB ALA 39 -8.535 -3.549 -7.542 257 3HB ALA 39 3HB ALA 39 -8.716 -2.006 -6.706 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -2.847 -14.821 2.463 2 2H GLY 1 2HT GLY 1 -1.614 -15.919 2.094 3 3H GLY 1 3HT GLY 1 -1.315 -14.256 2.019 4 1HA GLY 1 1HA GLY 1 -2.035 -15.704 4.506 5 2HA GLY 1 2HA GLY 1 -0.382 -15.349 4.025 6 H SER 2 H SER 2 -0.250 -12.873 3.266 7 HA SER 2 HA SER 2 -1.792 -11.136 5.011 8 1HB SER 2 2HB SER 2 1.170 -10.821 5.220 9 2HB SER 2 1HB SER 2 -0.090 -10.421 6.389 10 HG SER 2 HG SER 2 1.289 -12.774 6.010 11 H CYS 3 H CYS 3 -2.233 -9.294 3.987 12 HA CYS 3 HA CYS 3 -0.314 -8.096 2.181 13 1HB CYS 3 2HB CYS 3 -1.907 -7.966 0.297 14 2HB CYS 3 1HB CYS 3 -1.468 -9.627 0.679 15 H VAL 4 H VAL 4 -1.194 -5.992 1.297 16 HA VAL 4 HA VAL 4 -2.480 -4.569 3.471 17 HB VAL 4 HB VAL 4 -1.215 -3.577 0.917 18 1HG1 VAL 4 1HG1 VAL 4 -1.200 -1.374 2.181 19 2HG1 VAL 4 2HG1 VAL 4 -2.383 -2.109 3.262 20 3HG1 VAL 4 3HG1 VAL 4 -2.755 -1.916 1.549 21 1HG2 VAL 4 1HG2 VAL 4 0.129 -4.714 2.873 22 2HG2 VAL 4 2HG2 VAL 4 -0.056 -3.126 3.616 23 3HG2 VAL 4 3HG2 VAL 4 0.745 -3.280 2.052 24 HA PRO 5 HA PRO 5 -6.413 -4.684 1.327 25 1HB PRO 5 2HB PRO 5 -7.216 -2.384 2.968 26 2HB PRO 5 1HB PRO 5 -7.879 -4.018 2.931 27 1HG PRO 5 2HG PRO 5 -6.439 -3.092 5.018 28 2HG PRO 5 1HG PRO 5 -6.416 -4.795 4.524 29 1HD PRO 5 2HD PRO 5 -4.400 -2.642 4.013 30 2HD PRO 5 1HD PRO 5 -4.150 -4.353 4.416 31 H VAL 6 H VAL 6 -7.152 -3.699 -0.482 32 HA VAL 6 HA VAL 6 -5.740 -1.620 -1.682 33 HB VAL 6 HB VAL 6 -8.538 -2.589 -2.285 34 1HG1 VAL 6 1HG1 VAL 6 -8.145 -0.386 -3.253 35 2HG1 VAL 6 2HG1 VAL 6 -8.195 -1.626 -4.508 36 3HG1 VAL 6 3HG1 VAL 6 -6.646 -0.966 -3.980 37 1HG2 VAL 6 1HG2 VAL 6 -5.822 -3.547 -2.937 38 2HG2 VAL 6 2HG2 VAL 6 -7.015 -3.597 -4.234 39 3HG2 VAL 6 3HG2 VAL 6 -7.322 -4.449 -2.721 40 H ASP 7 H ASP 7 -6.282 0.529 -2.059 41 HA ASP 7 HA ASP 7 -7.086 2.591 -1.637 42 1HB ASP 7 2HB ASP 7 -9.268 1.288 -0.006 43 2HB ASP 7 1HB ASP 7 -9.248 2.922 -0.655 44 H GLN 8 H GLN 8 -5.605 0.582 0.444 45 HA GLN 8 HA GLN 8 -5.663 2.550 2.624 46 1HB GLN 8 2HB GLN 8 -4.818 -0.340 2.842 47 2HB GLN 8 1HB GLN 8 -5.035 0.803 4.158 48 1HG GLN 8 2HG GLN 8 -7.201 -0.290 2.378 49 2HG GLN 8 1HG GLN 8 -6.888 -0.747 4.052 50 1HE2 GLN 8 1HE2 GLN 8 -8.368 0.065 5.337 51 2HE2 GLN 8 2HE2 GLN 8 -9.059 1.646 5.234 52 HA PRO 9 HA PRO 9 -1.455 3.507 1.851 53 1HB PRO 9 2HB PRO 9 -0.423 3.752 4.374 54 2HB PRO 9 1HB PRO 9 -1.403 4.977 3.568 55 1HG PRO 9 2HG PRO 9 -2.200 2.949 5.610 56 2HG PRO 9 1HG PRO 9 -2.720 4.633 5.445 57 1HD PRO 9 2HD PRO 9 -4.250 2.548 4.664 58 2HD PRO 9 1HD PRO 9 -4.299 4.124 3.854 59 H CYS 10 H CYS 10 0.421 2.543 1.474 60 HA CYS 10 HA CYS 10 1.086 0.087 2.942 61 1HB CYS 10 2HB CYS 10 1.960 -0.802 0.714 62 2HB CYS 10 1HB CYS 10 0.216 -0.757 0.917 63 H SER 11 H SER 11 3.426 -0.595 2.027 64 HA SER 11 HA SER 11 5.142 1.754 1.806 65 1HB SER 11 2HB SER 11 4.756 0.824 4.278 66 2HB SER 11 1HB SER 11 6.008 -0.311 3.774 67 HG SER 11 HG SER 11 6.147 2.504 3.958 68 H LEU 12 H LEU 12 7.383 1.188 1.251 69 HA LEU 12 HA LEU 12 7.415 -0.901 -0.718 70 1HB LEU 12 2HB LEU 12 9.852 -0.136 -0.969 71 2HB LEU 12 1HB LEU 12 8.574 0.970 -1.428 72 HG LEU 12 HG LEU 12 8.882 2.263 0.582 73 1HD1 LEU 12 1HD1 LEU 12 10.937 1.579 2.025 74 2HD1 LEU 12 2HD1 LEU 12 10.610 -0.032 1.390 75 3HD1 LEU 12 3HD1 LEU 12 9.371 0.821 2.310 76 1HD2 LEU 12 1HD2 LEU 12 11.419 1.588 -0.877 77 2HD2 LEU 12 2HD2 LEU 12 11.305 2.899 0.297 78 3HD2 LEU 12 3HD2 LEU 12 10.317 2.935 -1.164 79 H ASN 13 H ASN 13 8.207 -0.770 2.600 80 HA ASN 13 HA ASN 13 9.944 -3.120 2.348 81 1HB ASN 13 2HB ASN 13 9.726 -0.955 4.402 82 2HB ASN 13 1HB ASN 13 10.356 -2.530 4.869 83 1HD2 ASN 13 1HD2 ASN 13 11.361 0.384 4.191 84 2HD2 ASN 13 2HD2 ASN 13 12.839 0.060 3.357 85 H THR 14 H THR 14 6.794 -2.694 2.573 86 HA THR 14 HA THR 14 6.413 -4.680 4.705 87 HB THR 14 HB THR 14 4.088 -3.895 4.827 88 HG1 THR 14 1HG THR 14 3.408 -2.185 3.594 89 1HG2 THR 14 1HG2 THR 14 4.886 -2.531 6.376 90 2HG2 THR 14 2HG2 THR 14 4.910 -1.276 5.137 91 3HG2 THR 14 3HG2 THR 14 6.360 -2.229 5.455 92 H GLN 15 H GLN 15 4.070 -5.775 4.163 93 HA GLN 15 HA GLN 15 4.618 -7.524 1.999 94 1HB GLN 15 2HB GLN 15 2.023 -7.194 3.512 95 2HB GLN 15 1HB GLN 15 2.534 -8.599 2.591 96 1HG GLN 15 2HG GLN 15 3.776 -7.571 5.129 97 2HG GLN 15 1HG GLN 15 2.786 -9.018 4.947 98 1HE2 GLN 15 1HE2 GLN 15 5.342 -9.037 6.051 99 2HE2 GLN 15 2HE2 GLN 15 6.392 -9.928 5.006 100 HA PRO 16 HA PRO 16 2.665 -5.549 -1.436 101 1HB PRO 16 2HB PRO 16 1.329 -7.634 -2.622 102 2HB PRO 16 1HB PRO 16 3.067 -7.354 -2.782 103 1HG PRO 16 2HG PRO 16 1.610 -9.233 -0.967 104 2HG PRO 16 1HG PRO 16 3.097 -9.499 -1.896 105 1HD PRO 16 2HD PRO 16 3.152 -8.980 0.738 106 2HD PRO 16 1HD PRO 16 4.409 -8.372 -0.358 107 H CYS 17 H CYS 17 0.408 -5.477 -2.601 108 HA CYS 17 HA CYS 17 -1.526 -4.917 -0.523 109 1HB CYS 17 2HB CYS 17 -1.764 -4.516 -3.509 110 2HB CYS 17 1HB CYS 17 -2.834 -3.857 -2.276 111 H CYS 18 H CYS 18 -3.893 -5.387 -1.244 112 HA CYS 18 HA CYS 18 -4.068 -8.284 -1.677 113 1HB CYS 18 2HB CYS 18 -6.122 -6.410 -0.484 114 2HB CYS 18 1HB CYS 18 -6.209 -8.165 -0.521 115 H ASP 19 H ASP 19 -6.121 -9.017 -2.765 116 HA ASP 19 HA ASP 19 -7.337 -9.170 -4.686 117 1HB ASP 19 2HB ASP 19 -7.659 -6.216 -4.128 118 2HB ASP 19 1HB ASP 19 -8.582 -7.094 -5.343 119 H ASP 20 H ASP 20 -4.475 -8.704 -4.924 120 HA ASP 20 HA ASP 20 -2.924 -8.410 -6.551 121 1HB ASP 20 2HB ASP 20 -5.206 -7.944 -8.473 122 2HB ASP 20 1HB ASP 20 -3.585 -8.522 -8.844 123 H ALA 21 H ALA 21 -3.717 -6.192 -4.977 124 HA ALA 21 HA ALA 21 -3.903 -3.886 -6.708 125 1HB ALA 21 1HB ALA 21 -3.973 -4.373 -3.800 126 2HB ALA 21 2HB ALA 21 -4.958 -3.302 -4.796 127 3HB ALA 21 3HB ALA 21 -3.336 -2.810 -4.308 128 H THR 22 H THR 22 -2.313 -2.023 -6.170 129 HA THR 22 HA THR 22 0.426 -3.040 -5.928 130 HB THR 22 HB THR 22 -0.542 -1.140 -8.074 131 HG1 THR 22 1HG THR 22 -0.191 -2.805 -9.465 132 1HG2 THR 22 1HG2 THR 22 1.555 -0.442 -8.179 133 2HG2 THR 22 2HG2 THR 22 1.955 -2.050 -8.782 134 3HG2 THR 22 3HG2 THR 22 2.110 -1.689 -7.063 135 H CYS 23 H CYS 23 1.836 -1.699 -4.891 136 HA CYS 23 HA CYS 23 0.700 0.471 -3.376 137 1HB CYS 23 2HB CYS 23 2.514 -1.247 -2.646 138 2HB CYS 23 1HB CYS 23 3.634 -0.194 -3.502 139 H THR 24 H THR 24 0.411 2.411 -4.301 140 HA THR 24 HA THR 24 2.448 3.368 -6.192 141 HB THR 24 HB THR 24 -0.540 3.795 -6.172 142 HG1 THR 24 1HG THR 24 -0.332 2.118 -7.412 143 1HG2 THR 24 1HG2 THR 24 0.435 5.913 -6.792 144 2HG2 THR 24 2HG2 THR 24 -0.258 5.126 -8.210 145 3HG2 THR 24 3HG2 THR 24 1.489 5.116 -7.960 146 H GLN 25 H GLN 25 2.815 5.609 -6.292 147 HA GLN 25 HA GLN 25 2.939 6.883 -3.728 148 1HB GLN 25 2HB GLN 25 4.814 7.152 -5.188 149 2HB GLN 25 1HB GLN 25 3.790 7.682 -6.513 150 1HG GLN 25 2HG GLN 25 3.364 9.762 -5.458 151 2HG GLN 25 1HG GLN 25 4.124 9.226 -3.962 152 1HE2 GLN 25 1HE2 GLN 25 4.690 11.503 -5.781 153 2HE2 GLN 25 2HE2 GLN 25 6.365 11.359 -6.180 154 H GLU 26 H GLU 26 1.579 8.360 -2.925 155 HA GLU 26 HA GLU 26 -0.218 9.818 -4.706 156 1HB GLU 26 2HB GLU 26 -1.212 8.277 -2.304 157 2HB GLU 26 1HB GLU 26 -2.182 9.289 -3.363 158 1HG GLU 26 2HG GLU 26 -1.625 7.765 -5.239 159 2HG GLU 26 1HG GLU 26 -0.810 6.713 -4.084 160 H ARG 27 H ARG 27 -1.691 11.261 -3.108 161 HA ARG 27 HA ARG 27 0.219 12.613 -1.320 162 1HB ARG 27 2HB ARG 27 -2.014 13.695 -3.030 163 2HB ARG 27 1HB ARG 27 -1.276 14.635 -1.743 164 1HG ARG 27 2HG ARG 27 0.946 14.120 -2.935 165 2HG ARG 27 1HG ARG 27 -0.071 13.688 -4.310 166 1HD ARG 27 2HD ARG 27 -0.566 16.280 -2.933 167 2HD ARG 27 1HD ARG 27 0.843 16.144 -3.985 168 HE ARG 27 HE ARG 27 -1.573 15.206 -5.211 169 1HH1 ARG 27 1HH1 ARG 27 0.343 18.055 -4.539 170 2HH1 ARG 27 2HH1 ARG 27 -0.305 18.950 -5.872 171 1HH2 ARG 27 1HH2 ARG 27 -2.418 16.389 -6.958 172 2HH2 ARG 27 2HH2 ARG 27 -1.869 18.007 -7.243 173 H ASN 28 H ASN 28 -0.496 13.385 0.678 174 HA ASN 28 HA ASN 28 -2.964 12.111 1.641 175 1HB ASN 28 2HB ASN 28 -1.990 12.237 3.877 176 2HB ASN 28 1HB ASN 28 -0.882 11.428 2.775 177 1HD2 ASN 28 1HD2 ASN 28 0.117 12.361 5.066 178 2HD2 ASN 28 2HD2 ASN 28 1.090 13.762 4.793 179 H GLU 29 H GLU 29 -3.550 13.478 3.867 180 HA GLU 29 HA GLU 29 -4.815 15.807 2.886 181 1HB GLU 29 2HB GLU 29 -4.532 14.511 5.560 182 2HB GLU 29 1HB GLU 29 -5.123 16.164 5.488 183 1HG GLU 29 2HG GLU 29 -6.769 15.196 3.714 184 2HG GLU 29 1HG GLU 29 -6.376 13.657 4.478 185 H ASN 30 H ASN 30 -1.798 15.251 4.554 186 HA ASN 30 HA ASN 30 -1.370 17.995 5.262 187 1HB ASN 30 2HB ASN 30 0.567 15.675 5.124 188 2HB ASN 30 1HB ASN 30 0.917 17.248 5.835 189 1HD2 ASN 30 1HD2 ASN 30 -0.718 17.937 7.531 190 2HD2 ASN 30 2HD2 ASN 30 -1.196 16.724 8.666 191 H GLY 31 H GLY 31 -0.656 15.982 2.500 192 1HA GLY 31 2HA GLY 31 -0.343 17.039 0.355 193 2HA GLY 31 1HA GLY 31 0.485 18.353 1.171 194 H HIS 32 H HIS 32 1.560 15.508 2.543 195 HA HIS 32 HA HIS 32 4.038 15.664 1.036 196 1HB HIS 32 2HB HIS 32 3.722 15.439 3.644 197 2HB HIS 32 1HB HIS 32 3.606 13.722 3.272 198 HD1 HIS 32 1HD HIS 32 5.764 12.515 3.207 199 HD2 HIS 32 2HD HIS 32 6.251 16.592 2.568 200 HE1 HIS 32 1HE HIS 32 8.248 12.882 3.070 201 HE2 HIS 32 2HE HIS 32 8.521 15.369 2.772 202 H THR 33 H THR 33 5.092 13.731 0.221 203 HA THR 33 HA THR 33 3.346 12.156 -1.357 204 HB THR 33 HB THR 33 6.279 11.714 -0.774 205 HG1 THR 33 1HG THR 33 5.928 13.745 -1.682 206 1HG2 THR 33 1HG2 THR 33 6.348 10.113 -2.318 207 2HG2 THR 33 2HG2 THR 33 5.269 10.989 -3.403 208 3HG2 THR 33 3HG2 THR 33 4.601 10.008 -2.100 209 H VAL 34 H VAL 34 2.517 10.180 -1.070 210 HA VAL 34 HA VAL 34 3.442 8.554 1.192 211 HB VAL 34 HB VAL 34 1.035 7.973 1.668 212 1HG1 VAL 34 1HG1 VAL 34 1.651 10.877 2.156 213 2HG1 VAL 34 2HG1 VAL 34 2.471 9.566 3.003 214 3HG1 VAL 34 3HG1 VAL 34 0.729 9.770 3.174 215 1HG2 VAL 34 1HG2 VAL 34 0.275 10.561 0.393 216 2HG2 VAL 34 2HG2 VAL 34 -0.727 9.167 0.794 217 3HG2 VAL 34 3HG2 VAL 34 0.358 9.103 -0.595 218 H TYR 35 H TYR 35 2.261 6.343 1.086 219 HA TYR 35 HA TYR 35 2.092 5.488 -1.730 220 1HB TYR 35 2HB TYR 35 3.311 3.896 0.535 221 2HB TYR 35 1HB TYR 35 3.235 3.425 -1.158 222 HD1 TYR 35 1HD TYR 35 4.228 5.450 -2.746 223 HD2 TYR 35 2HD TYR 35 5.402 4.538 1.241 224 HE1 TYR 35 1HE TYR 35 6.406 6.517 -3.148 225 HE2 TYR 35 2HE TYR 35 7.583 5.604 0.849 226 HH TYR 35 HH TYR 35 8.360 7.588 -0.980 227 H TYR 36 H TYR 36 0.229 4.528 -2.240 228 HA TYR 36 HA TYR 36 -1.305 3.234 -0.085 229 1HB TYR 36 2HB TYR 36 -2.132 5.328 -2.008 230 2HB TYR 36 1HB TYR 36 -3.292 4.035 -1.721 231 HD1 TYR 36 1HD TYR 36 -1.001 6.172 0.331 232 HD2 TYR 36 2HD TYR 36 -4.877 4.480 -0.118 233 HE1 TYR 36 1HE TYR 36 -1.720 7.286 2.401 234 HE2 TYR 36 2HE TYR 36 -5.608 5.589 1.951 235 HH TYR 36 HH TYR 36 -4.547 7.956 3.244 236 H CYS 37 H CYS 37 -3.008 1.753 -0.925 237 HA CYS 37 HA CYS 37 -1.868 0.112 -3.077 238 1HB CYS 37 2HB CYS 37 -3.686 -0.482 -0.755 239 2HB CYS 37 1HB CYS 37 -3.595 -1.582 -2.120 240 H ARG 38 H ARG 38 -2.894 -0.255 -4.943 241 HA ARG 38 HA ARG 38 -5.686 0.627 -5.205 242 1HB ARG 38 2HB ARG 38 -3.453 1.142 -7.178 243 2HB ARG 38 1HB ARG 38 -5.150 1.514 -7.449 244 1HG ARG 38 2HG ARG 38 -3.605 2.669 -5.151 245 2HG ARG 38 1HG ARG 38 -3.649 3.428 -6.744 246 1HD ARG 38 2HD ARG 38 -6.276 3.027 -6.356 247 2HD ARG 38 1HD ARG 38 -5.754 3.206 -4.681 248 HE ARG 38 HE ARG 38 -4.658 5.276 -6.255 249 1HH1 ARG 38 1HH1 ARG 38 -7.704 4.239 -4.880 250 2HH1 ARG 38 2HH1 ARG 38 -8.343 5.845 -4.782 251 1HH2 ARG 38 1HH2 ARG 38 -5.507 7.382 -6.125 252 2HH2 ARG 38 2HH2 ARG 38 -7.100 7.626 -5.488 253 H ALA 39 H ALA 39 -6.971 -0.864 -6.039 254 HA ALA 39 HA ALA 39 -5.994 -3.418 -6.795 255 1HB ALA 39 1HB ALA 39 -8.077 -3.652 -5.926 256 2HB ALA 39 2HB ALA 39 -8.523 -3.550 -7.630 257 3HB ALA 39 3HB ALA 39 -8.651 -2.126 -6.597 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -0.261 -16.745 5.314 2 2H GLY 1 2HT GLY 1 -1.882 -16.516 4.888 3 3H GLY 1 3HT GLY 1 -1.226 -15.674 6.199 4 1HA GLY 1 1HA GLY 1 0.436 -14.791 4.407 5 2HA GLY 1 2HA GLY 1 -0.883 -15.210 3.324 6 H SER 2 H SER 2 0.291 -12.588 4.134 7 HA SER 2 HA SER 2 -2.249 -11.308 4.860 8 1HB SER 2 2HB SER 2 -1.186 -9.803 6.396 9 2HB SER 2 1HB SER 2 -0.698 -11.436 6.849 10 HG SER 2 HG SER 2 0.928 -9.550 6.527 11 H CYS 3 H CYS 3 -2.486 -9.139 4.110 12 HA CYS 3 HA CYS 3 -0.484 -8.059 2.322 13 1HB CYS 3 2HB CYS 3 -2.038 -7.893 0.405 14 2HB CYS 3 1HB CYS 3 -1.666 -9.563 0.818 15 H VAL 4 H VAL 4 -1.263 -5.932 1.387 16 HA VAL 4 HA VAL 4 -2.513 -4.424 3.520 17 HB VAL 4 HB VAL 4 -1.225 -3.518 0.947 18 1HG1 VAL 4 1HG1 VAL 4 -1.127 -1.302 2.185 19 2HG1 VAL 4 2HG1 VAL 4 -2.330 -1.983 3.280 20 3HG1 VAL 4 3HG1 VAL 4 -2.702 -1.797 1.565 21 1HG2 VAL 4 1HG2 VAL 4 0.185 -4.681 2.726 22 2HG2 VAL 4 2HG2 VAL 4 -0.109 -3.254 3.719 23 3HG2 VAL 4 3HG2 VAL 4 0.726 -3.097 2.172 24 HA PRO 5 HA PRO 5 -6.449 -4.446 1.374 25 1HB PRO 5 2HB PRO 5 -7.173 -2.101 2.989 26 2HB PRO 5 1HB PRO 5 -7.893 -3.712 2.969 27 1HG PRO 5 2HG PRO 5 -6.424 -2.815 5.048 28 2HG PRO 5 1HG PRO 5 -6.454 -4.522 4.568 29 1HD PRO 5 2HD PRO 5 -4.373 -2.438 4.036 30 2HD PRO 5 1HD PRO 5 -4.174 -4.149 4.461 31 H VAL 6 H VAL 6 -7.146 -3.460 -0.451 32 HA VAL 6 HA VAL 6 -5.663 -1.436 -1.663 33 HB VAL 6 HB VAL 6 -8.486 -2.326 -2.277 34 1HG1 VAL 6 1HG1 VAL 6 -7.916 -0.117 -3.240 35 2HG1 VAL 6 2HG1 VAL 6 -8.178 -1.360 -4.464 36 3HG1 VAL 6 3HG1 VAL 6 -6.537 -0.862 -4.050 37 1HG2 VAL 6 1HG2 VAL 6 -5.799 -3.385 -2.889 38 2HG2 VAL 6 2HG2 VAL 6 -6.975 -3.404 -4.203 39 3HG2 VAL 6 3HG2 VAL 6 -7.332 -4.230 -2.687 40 H ASP 7 H ASP 7 -6.143 0.724 -2.069 41 HA ASP 7 HA ASP 7 -6.896 2.812 -1.677 42 1HB ASP 7 2HB ASP 7 -9.109 1.593 -0.023 43 2HB ASP 7 1HB ASP 7 -9.051 3.211 -0.710 44 H GLN 8 H GLN 8 -5.478 0.785 0.437 45 HA GLN 8 HA GLN 8 -5.475 2.791 2.584 46 1HB GLN 8 2HB GLN 8 -4.760 -0.131 2.839 47 2HB GLN 8 1HB GLN 8 -4.894 1.038 4.144 48 1HG GLN 8 2HG GLN 8 -7.157 0.092 2.400 49 2HG GLN 8 1HG GLN 8 -6.826 -0.444 4.046 50 1HE2 GLN 8 1HE2 GLN 8 -6.610 1.447 5.634 51 2HE2 GLN 8 2HE2 GLN 8 -7.828 2.665 5.516 52 HA PRO 9 HA PRO 9 -1.236 3.605 1.823 53 1HB PRO 9 2HB PRO 9 -0.211 3.817 4.356 54 2HB PRO 9 1HB PRO 9 -1.131 5.076 3.535 55 1HG PRO 9 2HG PRO 9 -2.032 3.089 5.576 56 2HG PRO 9 1HG PRO 9 -2.476 4.795 5.404 57 1HD PRO 9 2HD PRO 9 -4.097 2.787 4.614 58 2HD PRO 9 1HD PRO 9 -4.052 4.353 3.784 59 H CYS 10 H CYS 10 0.603 2.574 1.451 60 HA CYS 10 HA CYS 10 1.185 0.104 2.933 61 1HB CYS 10 2HB CYS 10 2.028 -0.838 0.724 62 2HB CYS 10 1HB CYS 10 0.284 -0.707 0.900 63 H SER 11 H SER 11 3.503 -0.658 2.028 64 HA SER 11 HA SER 11 5.289 1.653 1.863 65 1HB SER 11 2HB SER 11 5.131 -0.305 4.090 66 2HB SER 11 1HB SER 11 6.747 0.138 3.544 67 HG SER 11 HG SER 11 6.290 2.275 3.988 68 H LEU 12 H LEU 12 7.484 1.074 1.198 69 HA LEU 12 HA LEU 12 7.420 -0.927 -0.859 70 1HB LEU 12 2HB LEU 12 9.860 -0.193 -1.155 71 2HB LEU 12 1HB LEU 12 8.589 0.954 -1.523 72 HG LEU 12 HG LEU 12 8.984 2.150 0.533 73 1HD1 LEU 12 1HD1 LEU 12 11.085 1.368 1.863 74 2HD1 LEU 12 2HD1 LEU 12 10.695 -0.208 1.176 75 3HD1 LEU 12 3HD1 LEU 12 9.514 0.633 2.180 76 1HD2 LEU 12 1HD2 LEU 12 10.450 2.511 -1.490 77 2HD2 LEU 12 2HD2 LEU 12 11.680 1.566 -0.651 78 3HD2 LEU 12 3HD2 LEU 12 11.095 3.073 0.053 79 H ASN 13 H ASN 13 8.333 -0.944 2.434 80 HA ASN 13 HA ASN 13 9.982 -3.338 2.019 81 1HB ASN 13 2HB ASN 13 10.888 -2.914 4.269 82 2HB ASN 13 1HB ASN 13 11.153 -1.550 3.187 83 1HD2 ASN 13 1HD2 ASN 13 11.165 -1.510 6.040 84 2HD2 ASN 13 2HD2 ASN 13 9.899 -0.447 6.543 85 H THR 14 H THR 14 6.871 -2.799 2.463 86 HA THR 14 HA THR 14 6.550 -4.809 4.584 87 HB THR 14 HB THR 14 4.244 -3.953 4.815 88 HG1 THR 14 1HG THR 14 4.084 -3.147 2.642 89 1HG2 THR 14 1HG2 THR 14 4.738 -1.719 5.713 90 2HG2 THR 14 2HG2 THR 14 6.350 -1.815 5.002 91 3HG2 THR 14 3HG2 THR 14 5.874 -2.949 6.266 92 H GLN 15 H GLN 15 4.164 -5.839 4.175 93 HA GLN 15 HA GLN 15 4.519 -7.616 2.016 94 1HB GLN 15 2HB GLN 15 2.044 -7.073 3.665 95 2HB GLN 15 1HB GLN 15 2.302 -8.475 2.639 96 1HG GLN 15 2HG GLN 15 4.430 -8.077 4.582 97 2HG GLN 15 1HG GLN 15 2.846 -8.316 5.318 98 1HE2 GLN 15 1HE2 GLN 15 5.534 -9.870 4.371 99 2HE2 GLN 15 2HE2 GLN 15 4.887 -11.442 4.057 100 HA PRO 16 HA PRO 16 2.600 -5.585 -1.408 101 1HB PRO 16 2HB PRO 16 1.179 -7.611 -2.571 102 2HB PRO 16 1HB PRO 16 2.931 -7.434 -2.719 103 1HG PRO 16 2HG PRO 16 1.354 -9.195 -0.884 104 2HG PRO 16 1HG PRO 16 2.820 -9.569 -1.810 105 1HD PRO 16 2HD PRO 16 2.906 -9.009 0.819 106 2HD PRO 16 1HD PRO 16 4.203 -8.510 -0.286 107 H CYS 17 H CYS 17 0.310 -5.551 -2.582 108 HA CYS 17 HA CYS 17 -1.582 -4.850 -0.492 109 1HB CYS 17 2HB CYS 17 -1.808 -4.474 -3.484 110 2HB CYS 17 1HB CYS 17 -2.859 -3.771 -2.260 111 H CYS 18 H CYS 18 -3.967 -5.251 -1.195 112 HA CYS 18 HA CYS 18 -4.236 -8.142 -1.606 113 1HB CYS 18 2HB CYS 18 -6.228 -6.200 -0.418 114 2HB CYS 18 1HB CYS 18 -6.364 -7.952 -0.439 115 H ASP 19 H ASP 19 -6.325 -8.814 -2.673 116 HA ASP 19 HA ASP 19 -7.556 -8.939 -4.587 117 1HB ASP 19 2HB ASP 19 -7.789 -6.018 -3.895 118 2HB ASP 19 1HB ASP 19 -8.608 -6.698 -5.297 119 H ASP 20 H ASP 20 -4.671 -8.567 -4.834 120 HA ASP 20 HA ASP 20 -3.121 -8.349 -6.476 121 1HB ASP 20 2HB ASP 20 -5.139 -9.357 -7.804 122 2HB ASP 20 1HB ASP 20 -5.251 -7.742 -8.498 123 H ALA 21 H ALA 21 -3.843 -6.082 -4.935 124 HA ALA 21 HA ALA 21 -3.972 -3.795 -6.690 125 1HB ALA 21 1HB ALA 21 -4.021 -4.251 -3.782 126 2HB ALA 21 2HB ALA 21 -4.953 -3.129 -4.770 127 3HB ALA 21 3HB ALA 21 -3.301 -2.728 -4.299 128 H THR 22 H THR 22 -2.293 -1.969 -6.073 129 HA THR 22 HA THR 22 0.407 -3.085 -5.933 130 HB THR 22 HB THR 22 -0.535 -1.147 -8.054 131 HG1 THR 22 1HG THR 22 -0.093 -2.860 -9.464 132 1HG2 THR 22 1HG2 THR 22 1.756 -0.679 -7.432 133 2HG2 THR 22 2HG2 THR 22 1.676 -1.411 -9.034 134 3HG2 THR 22 3HG2 THR 22 2.175 -2.377 -7.646 135 H CYS 23 H CYS 23 1.869 -1.809 -4.898 136 HA CYS 23 HA CYS 23 0.834 0.399 -3.372 137 1HB CYS 23 2HB CYS 23 2.574 -1.385 -2.645 138 2HB CYS 23 1HB CYS 23 3.736 -0.391 -3.516 139 H THR 24 H THR 24 0.618 2.351 -4.267 140 HA THR 24 HA THR 24 2.703 3.279 -6.121 141 HB THR 24 HB THR 24 -0.283 3.703 -6.213 142 HG1 THR 24 1HG THR 24 -0.101 2.672 -8.169 143 1HG2 THR 24 1HG2 THR 24 0.585 5.824 -6.812 144 2HG2 THR 24 2HG2 THR 24 0.156 4.994 -8.307 145 3HG2 THR 24 3HG2 THR 24 1.846 5.099 -7.809 146 H GLN 25 H GLN 25 3.066 5.529 -6.212 147 HA GLN 25 HA GLN 25 3.108 6.803 -3.647 148 1HB GLN 25 2HB GLN 25 4.995 7.065 -5.134 149 2HB GLN 25 1HB GLN 25 3.960 7.706 -6.403 150 1HG GLN 25 2HG GLN 25 3.660 9.728 -5.308 151 2HG GLN 25 1HG GLN 25 4.190 9.074 -3.761 152 1HE2 GLN 25 1HE2 GLN 25 5.069 11.329 -5.656 153 2HE2 GLN 25 2HE2 GLN 25 6.785 11.141 -5.727 154 H GLU 26 H GLU 26 1.665 8.199 -2.856 155 HA GLU 26 HA GLU 26 -0.092 9.667 -4.675 156 1HB GLU 26 2HB GLU 26 -1.114 8.066 -2.324 157 2HB GLU 26 1HB GLU 26 -2.079 9.097 -3.369 158 1HG GLU 26 2HG GLU 26 -1.436 7.627 -5.281 159 2HG GLU 26 1HG GLU 26 -0.684 6.543 -4.114 160 H ARG 27 H ARG 27 -1.640 11.055 -3.087 161 HA ARG 27 HA ARG 27 0.208 12.441 -1.257 162 1HB ARG 27 2HB ARG 27 -1.964 13.449 -3.068 163 2HB ARG 27 1HB ARG 27 -1.453 14.394 -1.676 164 1HG ARG 27 2HG ARG 27 0.940 13.945 -2.723 165 2HG ARG 27 1HG ARG 27 -0.017 13.792 -4.197 166 1HD ARG 27 2HD ARG 27 -0.653 16.102 -2.478 167 2HD ARG 27 1HD ARG 27 0.930 16.135 -3.255 168 HE ARG 27 HE ARG 27 -1.087 15.467 -5.126 169 1HH1 ARG 27 1HH1 ARG 27 0.209 18.190 -3.352 170 2HH1 ARG 27 2HH1 ARG 27 -0.288 19.351 -4.536 171 1HH2 ARG 27 1HH2 ARG 27 -1.736 17.000 -6.675 172 2HH2 ARG 27 2HH2 ARG 27 -1.391 18.677 -6.419 173 H ASN 28 H ASN 28 -0.551 13.167 0.746 174 HA ASN 28 HA ASN 28 -2.967 11.778 1.673 175 1HB ASN 28 2HB ASN 28 -2.036 12.006 3.929 176 2HB ASN 28 1HB ASN 28 -0.893 11.211 2.854 177 1HD2 ASN 28 1HD2 ASN 28 0.171 12.143 5.044 178 2HD2 ASN 28 2HD2 ASN 28 1.052 13.605 4.777 179 H GLU 29 H GLU 29 -3.781 13.056 3.808 180 HA GLU 29 HA GLU 29 -5.150 15.301 2.849 181 1HB GLU 29 2HB GLU 29 -5.658 15.679 5.319 182 2HB GLU 29 1HB GLU 29 -6.149 14.137 4.636 183 1HG GLU 29 2HG GLU 29 -4.642 12.957 5.853 184 2HG GLU 29 1HG GLU 29 -3.474 14.278 5.898 185 H ASN 30 H ASN 30 -2.096 14.981 4.512 186 HA ASN 30 HA ASN 30 -1.840 17.753 5.173 187 1HB ASN 30 2HB ASN 30 0.241 15.562 5.033 188 2HB ASN 30 1HB ASN 30 0.505 17.164 5.713 189 1HD2 ASN 30 1HD2 ASN 30 0.534 14.391 6.855 190 2HD2 ASN 30 2HD2 ASN 30 -0.497 14.482 8.238 191 H GLY 31 H GLY 31 -1.035 15.757 2.423 192 1HA GLY 31 2HA GLY 31 -0.830 16.813 0.263 193 2HA GLY 31 1HA GLY 31 -0.065 18.180 1.054 194 H HIS 32 H HIS 32 1.284 15.572 2.522 195 HA HIS 32 HA HIS 32 3.681 15.797 0.919 196 1HB HIS 32 2HB HIS 32 3.823 15.801 3.380 197 2HB HIS 32 1HB HIS 32 3.145 14.176 3.418 198 HD1 HIS 32 1HD HIS 32 6.069 15.753 1.538 199 HD2 HIS 32 2HD HIS 32 5.143 12.420 3.840 200 HE1 HIS 32 1HE HIS 32 8.184 14.398 1.640 201 HE2 HIS 32 2HE HIS 32 7.619 12.420 3.095 202 H THR 33 H THR 33 4.849 13.914 0.140 203 HA THR 33 HA THR 33 3.182 12.180 -1.353 204 HB THR 33 HB THR 33 6.149 11.943 -0.815 205 HG1 THR 33 1HG THR 33 4.703 13.306 -2.834 206 1HG2 THR 33 1HG2 THR 33 6.341 10.577 -2.687 207 2HG2 THR 33 2HG2 THR 33 4.717 10.968 -3.254 208 3HG2 THR 33 3HG2 THR 33 4.932 9.942 -1.836 209 H VAL 34 H VAL 34 2.730 10.026 -1.130 210 HA VAL 34 HA VAL 34 3.752 8.548 1.156 211 HB VAL 34 HB VAL 34 1.458 7.895 1.884 212 1HG1 VAL 34 1HG1 VAL 34 2.947 9.874 2.788 213 2HG1 VAL 34 2HG1 VAL 34 1.318 9.601 3.403 214 3HG1 VAL 34 3HG1 VAL 34 1.605 10.851 2.193 215 1HG2 VAL 34 1HG2 VAL 34 0.560 10.245 0.219 216 2HG2 VAL 34 2HG2 VAL 34 -0.450 9.207 1.226 217 3HG2 VAL 34 3HG2 VAL 34 0.319 8.554 -0.221 218 H TYR 35 H TYR 35 2.595 6.305 1.169 219 HA TYR 35 HA TYR 35 2.430 5.378 -1.627 220 1HB TYR 35 2HB TYR 35 3.639 4.067 0.806 221 2HB TYR 35 1HB TYR 35 3.260 3.171 -0.659 222 HD1 TYR 35 1HD TYR 35 5.138 6.193 0.470 223 HD2 TYR 35 2HD TYR 35 4.879 2.979 -2.307 224 HE1 TYR 35 1HE TYR 35 7.309 6.847 -0.480 225 HE2 TYR 35 2HE TYR 35 7.050 3.624 -3.264 226 HH TYR 35 HH TYR 35 8.505 6.568 -2.704 227 H TYR 36 H TYR 36 0.556 4.460 -2.215 228 HA TYR 36 HA TYR 36 -1.145 3.313 -0.103 229 1HB TYR 36 2HB TYR 36 -1.779 5.422 -2.076 230 2HB TYR 36 1HB TYR 36 -3.015 4.193 -1.837 231 HD1 TYR 36 1HD TYR 36 -0.852 6.558 0.066 232 HD2 TYR 36 2HD TYR 36 -4.515 4.398 -0.072 233 HE1 TYR 36 1HE TYR 36 -1.611 7.727 2.092 234 HE2 TYR 36 2HE TYR 36 -5.283 5.562 1.954 235 HH TYR 36 HH TYR 36 -3.691 8.299 3.219 236 H CYS 37 H CYS 37 -2.849 1.869 -0.939 237 HA CYS 37 HA CYS 37 -1.749 0.169 -3.068 238 1HB CYS 37 2HB CYS 37 -3.586 -0.346 -0.745 239 2HB CYS 37 1HB CYS 37 -3.543 -1.455 -2.105 240 H ARG 38 H ARG 38 -2.792 -0.210 -4.928 241 HA ARG 38 HA ARG 38 -5.547 0.771 -5.214 242 1HB ARG 38 2HB ARG 38 -3.319 1.160 -7.221 243 2HB ARG 38 1HB ARG 38 -4.995 1.643 -7.440 244 1HG ARG 38 2HG ARG 38 -3.211 2.705 -5.264 245 2HG ARG 38 1HG ARG 38 -3.454 3.494 -6.823 246 1HD ARG 38 2HD ARG 38 -6.002 3.191 -6.145 247 2HD ARG 38 1HD ARG 38 -5.309 3.202 -4.523 248 HE ARG 38 HE ARG 38 -4.276 5.361 -6.007 249 1HH1 ARG 38 1HH1 ARG 38 -7.246 4.319 -4.478 250 2HH1 ARG 38 2HH1 ARG 38 -7.804 5.933 -4.192 251 1HH2 ARG 38 1HH2 ARG 38 -5.017 7.475 -5.626 252 2HH2 ARG 38 2HH2 ARG 38 -6.542 7.722 -4.842 253 H ALA 39 H ALA 39 -6.882 -0.676 -6.051 254 HA ALA 39 HA ALA 39 -5.998 -3.277 -6.759 255 1HB ALA 39 1HB ALA 39 -8.351 -3.718 -7.284 256 2HB ALA 39 2HB ALA 39 -8.701 -1.996 -7.141 257 3HB ALA 39 3HB ALA 39 -8.169 -2.909 -5.729 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 0.239 -14.475 2.239 2 2H GLY 1 2HT GLY 1 -1.395 -14.890 2.108 3 3H GLY 1 3HT GLY 1 -0.226 -16.101 2.258 4 1HA GLY 1 1HA GLY 1 -1.276 -15.887 4.362 5 2HA GLY 1 2HA GLY 1 0.350 -15.230 4.482 6 H SER 2 H SER 2 0.281 -12.760 3.623 7 HA SER 2 HA SER 2 -2.036 -11.392 4.757 8 1HB SER 2 2HB SER 2 -0.558 -9.904 6.105 9 2HB SER 2 1HB SER 2 -0.541 -11.577 6.659 10 HG SER 2 HG SER 2 1.566 -10.818 6.548 11 H CYS 3 H CYS 3 -2.352 -9.301 3.982 12 HA CYS 3 HA CYS 3 -0.408 -8.121 2.194 13 1HB CYS 3 2HB CYS 3 -1.987 -7.961 0.300 14 2HB CYS 3 1HB CYS 3 -1.569 -9.629 0.677 15 H VAL 4 H VAL 4 -1.258 -6.002 1.312 16 HA VAL 4 HA VAL 4 -2.538 -4.571 3.484 17 HB VAL 4 HB VAL 4 -1.245 -3.586 0.942 18 1HG1 VAL 4 1HG1 VAL 4 -1.215 -1.387 2.221 19 2HG1 VAL 4 2HG1 VAL 4 -2.424 -2.115 3.279 20 3HG1 VAL 4 3HG1 VAL 4 -2.766 -1.906 1.562 21 1HG2 VAL 4 1HG2 VAL 4 0.445 -4.518 2.268 22 2HG2 VAL 4 2HG2 VAL 4 -0.265 -3.899 3.759 23 3HG2 VAL 4 3HG2 VAL 4 0.500 -2.790 2.621 24 HA PRO 5 HA PRO 5 -6.458 -4.623 1.315 25 1HB PRO 5 2HB PRO 5 -7.240 -2.320 2.959 26 2HB PRO 5 1HB PRO 5 -7.927 -3.944 2.911 27 1HG PRO 5 2HG PRO 5 -6.488 -3.048 5.012 28 2HG PRO 5 1HG PRO 5 -6.482 -4.748 4.509 29 1HD PRO 5 2HD PRO 5 -4.438 -2.617 4.020 30 2HD PRO 5 1HD PRO 5 -4.210 -4.332 4.421 31 H VAL 6 H VAL 6 -7.158 -3.629 -0.500 32 HA VAL 6 HA VAL 6 -5.712 -1.565 -1.683 33 HB VAL 6 HB VAL 6 -8.516 -2.501 -2.311 34 1HG1 VAL 6 1HG1 VAL 6 -8.078 -0.300 -3.274 35 2HG1 VAL 6 2HG1 VAL 6 -8.151 -1.537 -4.527 36 3HG1 VAL 6 3HG1 VAL 6 -6.590 -0.909 -3.999 37 1HG2 VAL 6 1HG2 VAL 6 -5.809 -3.504 -2.921 38 2HG2 VAL 6 2HG2 VAL 6 -6.969 -3.518 -4.249 39 3HG2 VAL 6 3HG2 VAL 6 -7.333 -4.376 -2.753 40 H ASP 7 H ASP 7 -6.230 0.590 -2.072 41 HA ASP 7 HA ASP 7 -7.009 2.663 -1.651 42 1HB ASP 7 2HB ASP 7 -9.229 1.380 -0.056 43 2HB ASP 7 1HB ASP 7 -9.184 3.015 -0.702 44 H GLN 8 H GLN 8 -5.571 0.639 0.439 45 HA GLN 8 HA GLN 8 -5.640 2.602 2.622 46 1HB GLN 8 2HB GLN 8 -4.845 -0.299 2.857 47 2HB GLN 8 1HB GLN 8 -5.084 0.846 4.168 48 1HG GLN 8 2HG GLN 8 -7.198 -0.264 2.339 49 2HG GLN 8 1HG GLN 8 -6.959 -0.650 4.043 50 1HE2 GLN 8 1HE2 GLN 8 -7.081 1.246 5.537 51 2HE2 GLN 8 2HE2 GLN 8 -8.294 2.433 5.214 52 HA PRO 9 HA PRO 9 -1.404 3.486 1.919 53 1HB PRO 9 2HB PRO 9 -0.405 3.704 4.460 54 2HB PRO 9 1HB PRO 9 -1.351 4.948 3.645 55 1HG PRO 9 2HG PRO 9 -2.212 2.928 5.668 56 2HG PRO 9 1HG PRO 9 -2.701 4.621 5.499 57 1HD PRO 9 2HD PRO 9 -4.254 2.561 4.690 58 2HD PRO 9 1HD PRO 9 -4.267 4.141 3.886 59 H CYS 10 H CYS 10 0.459 2.502 1.565 60 HA CYS 10 HA CYS 10 1.078 0.028 3.024 61 1HB CYS 10 2HB CYS 10 1.968 -0.862 0.805 62 2HB CYS 10 1HB CYS 10 0.221 -0.790 0.976 63 H SER 11 H SER 11 3.429 -0.665 2.124 64 HA SER 11 HA SER 11 5.148 1.696 1.993 65 1HB SER 11 2HB SER 11 4.969 -0.199 4.241 66 2HB SER 11 1HB SER 11 6.608 0.135 3.686 67 HG SER 11 HG SER 11 6.210 1.718 5.117 68 H LEU 12 H LEU 12 7.190 1.329 1.095 69 HA LEU 12 HA LEU 12 7.264 -0.675 -0.901 70 1HB LEU 12 2HB LEU 12 9.585 0.148 -1.315 71 2HB LEU 12 1HB LEU 12 8.341 1.380 -1.373 72 HG LEU 12 HG LEU 12 8.995 2.034 0.971 73 1HD1 LEU 12 1HD1 LEU 12 11.537 1.259 1.290 74 2HD1 LEU 12 2HD1 LEU 12 10.886 -0.184 0.514 75 3HD1 LEU 12 3HD1 LEU 12 10.169 0.412 2.011 76 1HD2 LEU 12 1HD2 LEU 12 10.674 2.330 -1.453 77 2HD2 LEU 12 2HD2 LEU 12 11.347 2.887 0.080 78 3HD2 LEU 12 3HD2 LEU 12 9.820 3.550 -0.505 79 H ASN 13 H ASN 13 8.286 -0.682 2.388 80 HA ASN 13 HA ASN 13 9.944 -3.055 1.913 81 1HB ASN 13 2HB ASN 13 10.849 -2.645 4.181 82 2HB ASN 13 1HB ASN 13 11.116 -1.290 3.088 83 1HD2 ASN 13 1HD2 ASN 13 9.761 -2.326 6.021 84 2HD2 ASN 13 2HD2 ASN 13 9.030 -0.832 6.487 85 H THR 14 H THR 14 6.828 -2.592 2.416 86 HA THR 14 HA THR 14 6.588 -4.629 4.516 87 HB THR 14 HB THR 14 4.227 -3.842 4.714 88 HG1 THR 14 1HG THR 14 3.496 -2.556 3.252 89 1HG2 THR 14 1HG2 THR 14 4.693 -1.675 5.765 90 2HG2 THR 14 2HG2 THR 14 6.319 -1.714 5.083 91 3HG2 THR 14 3HG2 THR 14 5.829 -2.930 6.263 92 H GLN 15 H GLN 15 4.257 -5.749 4.143 93 HA GLN 15 HA GLN 15 4.627 -7.505 1.978 94 1HB GLN 15 2HB GLN 15 2.067 -7.061 3.516 95 2HB GLN 15 1HB GLN 15 2.553 -8.513 2.658 96 1HG GLN 15 2HG GLN 15 3.773 -7.392 5.166 97 2HG GLN 15 1HG GLN 15 2.826 -8.870 5.004 98 1HE2 GLN 15 1HE2 GLN 15 5.864 -7.701 5.314 99 2HE2 GLN 15 2HE2 GLN 15 6.759 -9.011 4.630 100 HA PRO 16 HA PRO 16 2.641 -5.530 -1.440 101 1HB PRO 16 2HB PRO 16 1.262 -7.599 -2.585 102 2HB PRO 16 1HB PRO 16 3.005 -7.367 -2.756 103 1HG PRO 16 2HG PRO 16 1.506 -9.179 -0.906 104 2HG PRO 16 1HG PRO 16 2.977 -9.502 -1.842 105 1HD PRO 16 2HD PRO 16 3.062 -8.940 0.786 106 2HD PRO 16 1HD PRO 16 4.335 -8.400 -0.328 107 H CYS 17 H CYS 17 0.341 -5.581 -2.607 108 HA CYS 17 HA CYS 17 -1.563 -4.932 -0.501 109 1HB CYS 17 2HB CYS 17 -1.798 -4.501 -3.485 110 2HB CYS 17 1HB CYS 17 -2.851 -3.832 -2.243 111 H CYS 18 H CYS 18 -3.939 -5.358 -1.228 112 HA CYS 18 HA CYS 18 -4.160 -8.247 -1.690 113 1HB CYS 18 2HB CYS 18 -6.190 -6.356 -0.484 114 2HB CYS 18 1HB CYS 18 -6.294 -8.109 -0.529 115 H ASP 19 H ASP 19 -6.252 -8.924 -2.764 116 HA ASP 19 HA ASP 19 -7.478 -9.038 -4.682 117 1HB ASP 19 2HB ASP 19 -7.730 -6.114 -3.992 118 2HB ASP 19 1HB ASP 19 -8.583 -6.832 -5.354 119 H ASP 20 H ASP 20 -4.603 -8.647 -4.929 120 HA ASP 20 HA ASP 20 -3.052 -8.388 -6.565 121 1HB ASP 20 2HB ASP 20 -5.163 -9.318 -7.901 122 2HB ASP 20 1HB ASP 20 -5.090 -7.719 -8.635 123 H ALA 21 H ALA 21 -3.783 -6.158 -4.983 124 HA ALA 21 HA ALA 21 -3.934 -3.841 -6.698 125 1HB ALA 21 1HB ALA 21 -3.967 -4.339 -3.789 126 2HB ALA 21 2HB ALA 21 -4.950 -3.250 -4.765 127 3HB ALA 21 3HB ALA 21 -3.312 -2.786 -4.304 128 H THR 22 H THR 22 -2.285 -2.007 -6.001 129 HA THR 22 HA THR 22 0.428 -3.078 -5.851 130 HB THR 22 HB THR 22 -0.521 -1.159 -7.988 131 HG1 THR 22 1HG THR 22 0.277 -3.872 -8.073 132 1HG2 THR 22 1HG2 THR 22 1.594 -0.477 -8.012 133 2HG2 THR 22 2HG2 THR 22 1.931 -2.036 -8.763 134 3HG2 THR 22 3HG2 THR 22 2.144 -1.829 -7.024 135 H CYS 23 H CYS 23 1.865 -1.764 -4.817 136 HA CYS 23 HA CYS 23 0.768 0.428 -3.298 137 1HB CYS 23 2HB CYS 23 2.526 -1.337 -2.552 138 2HB CYS 23 1HB CYS 23 3.684 -0.318 -3.401 139 H THR 24 H THR 24 0.540 2.377 -4.217 140 HA THR 24 HA THR 24 2.634 3.299 -6.064 141 HB THR 24 HB THR 24 -0.352 3.731 -6.150 142 HG1 THR 24 1HG THR 24 -0.230 2.247 -7.597 143 1HG2 THR 24 1HG2 THR 24 0.731 5.858 -6.698 144 2HG2 THR 24 2HG2 THR 24 -0.059 5.130 -8.097 145 3HG2 THR 24 3HG2 THR 24 1.694 5.038 -7.927 146 H GLN 25 H GLN 25 3.011 5.543 -6.166 147 HA GLN 25 HA GLN 25 3.078 6.824 -3.606 148 1HB GLN 25 2HB GLN 25 4.965 7.067 -5.088 149 2HB GLN 25 1HB GLN 25 3.937 7.698 -6.367 150 1HG GLN 25 2HG GLN 25 3.633 9.734 -5.279 151 2HG GLN 25 1HG GLN 25 4.201 9.096 -3.739 152 1HE2 GLN 25 1HE2 GLN 25 5.010 11.001 -6.281 153 2HE2 GLN 25 2HE2 GLN 25 6.733 10.943 -6.158 154 H GLU 26 H GLU 26 1.713 8.311 -2.829 155 HA GLU 26 HA GLU 26 -0.063 9.758 -4.640 156 1HB GLU 26 2HB GLU 26 -1.078 8.201 -2.257 157 2HB GLU 26 1HB GLU 26 -2.042 9.233 -3.303 158 1HG GLU 26 2HG GLU 26 -1.477 7.732 -5.202 159 2HG GLU 26 1HG GLU 26 -0.679 6.659 -4.054 160 H ARG 27 H ARG 27 -1.573 11.183 -3.046 161 HA ARG 27 HA ARG 27 0.301 12.520 -1.202 162 1HB ARG 27 2HB ARG 27 -1.713 13.624 -3.133 163 2HB ARG 27 1HB ARG 27 -1.233 14.558 -1.723 164 1HG ARG 27 2HG ARG 27 1.182 13.801 -2.746 165 2HG ARG 27 1HG ARG 27 0.211 14.015 -4.204 166 1HD ARG 27 2HD ARG 27 0.091 16.247 -3.946 167 2HD ARG 27 1HD ARG 27 -0.100 16.136 -2.197 168 HE ARG 27 HE ARG 27 2.129 16.539 -1.999 169 1HH1 ARG 27 1HH1 ARG 27 1.558 15.286 -5.214 170 2HH1 ARG 27 2HH1 ARG 27 3.201 15.496 -5.717 171 1HH2 ARG 27 1HH2 ARG 27 4.285 16.810 -2.667 172 2HH2 ARG 27 2HH2 ARG 27 4.747 16.359 -4.275 173 H ASN 28 H ASN 28 -0.423 13.158 0.794 174 HA ASN 28 HA ASN 28 -2.967 11.984 1.636 175 1HB ASN 28 2HB ASN 28 -2.105 12.166 3.911 176 2HB ASN 28 1HB ASN 28 -0.933 11.354 2.882 177 1HD2 ASN 28 1HD2 ASN 28 0.054 12.250 5.122 178 2HD2 ASN 28 2HD2 ASN 28 0.975 13.696 4.903 179 H GLU 29 H GLU 29 -3.686 13.380 3.794 180 HA GLU 29 HA GLU 29 -4.975 15.643 2.734 181 1HB GLU 29 2HB GLU 29 -4.651 14.484 5.468 182 2HB GLU 29 1HB GLU 29 -5.296 16.112 5.316 183 1HG GLU 29 2HG GLU 29 -7.126 15.330 3.986 184 2HG GLU 29 1HG GLU 29 -6.436 13.709 3.911 185 H ASN 30 H ASN 30 -1.989 15.258 4.530 186 HA ASN 30 HA ASN 30 -1.618 18.036 5.071 187 1HB ASN 30 2HB ASN 30 0.496 15.878 4.981 188 2HB ASN 30 1HB ASN 30 0.588 17.421 5.824 189 1HD2 ASN 30 1HD2 ASN 30 0.186 17.361 7.905 190 2HD2 ASN 30 2HD2 ASN 30 -0.754 16.170 8.730 191 H GLY 31 H GLY 31 -0.841 15.913 2.411 192 1HA GLY 31 2HA GLY 31 -0.525 16.836 0.216 193 2HA GLY 31 1HA GLY 31 0.200 18.252 0.957 194 H HIS 32 H HIS 32 1.287 15.346 2.361 195 HA HIS 32 HA HIS 32 3.847 15.653 0.991 196 1HB HIS 32 2HB HIS 32 3.048 14.981 3.666 197 2HB HIS 32 1HB HIS 32 4.020 13.667 3.015 198 HD1 HIS 32 1HD HIS 32 4.448 16.557 4.930 199 HD2 HIS 32 2HD HIS 32 6.476 14.987 1.660 200 HE1 HIS 32 1HE HIS 32 6.724 17.627 4.972 201 HE2 HIS 32 2HE HIS 32 7.899 16.732 2.931 202 H THR 33 H THR 33 5.014 13.747 0.255 203 HA THR 33 HA THR 33 3.381 12.060 -1.331 204 HB THR 33 HB THR 33 6.309 11.711 -0.664 205 HG1 THR 33 1HG THR 33 6.571 13.437 -1.800 206 1HG2 THR 33 1HG2 THR 33 6.525 10.456 -2.635 207 2HG2 THR 33 2HG2 THR 33 4.902 10.881 -3.178 208 3HG2 THR 33 3HG2 THR 33 5.116 9.795 -1.806 209 H VAL 34 H VAL 34 2.639 10.056 -1.022 210 HA VAL 34 HA VAL 34 3.596 8.489 1.260 211 HB VAL 34 HB VAL 34 1.180 7.877 1.756 212 1HG1 VAL 34 1HG1 VAL 34 1.740 10.765 2.332 213 2HG1 VAL 34 2HG1 VAL 34 2.705 9.479 3.055 214 3HG1 VAL 34 3HG1 VAL 34 0.970 9.559 3.361 215 1HG2 VAL 34 1HG2 VAL 34 0.573 10.474 0.359 216 2HG2 VAL 34 2HG2 VAL 34 -0.567 9.337 1.079 217 3HG2 VAL 34 3HG2 VAL 34 0.319 8.892 -0.380 218 H TYR 35 H TYR 35 2.438 6.261 1.193 219 HA TYR 35 HA TYR 35 2.274 5.385 -1.619 220 1HB TYR 35 2HB TYR 35 3.416 3.802 0.693 221 2HB TYR 35 1HB TYR 35 3.364 3.306 -0.994 222 HD1 TYR 35 1HD TYR 35 4.605 4.875 -2.676 223 HD2 TYR 35 2HD TYR 35 5.328 4.827 1.516 224 HE1 TYR 35 1HE TYR 35 6.809 5.899 -3.050 225 HE2 TYR 35 2HE TYR 35 7.534 5.851 1.153 226 HH TYR 35 HH TYR 35 8.999 6.037 -1.876 227 H TYR 36 H TYR 36 0.386 4.488 -2.157 228 HA TYR 36 HA TYR 36 -1.209 3.224 -0.027 229 1HB TYR 36 2HB TYR 36 -1.968 5.323 -1.983 230 2HB TYR 36 1HB TYR 36 -3.162 4.072 -1.654 231 HD1 TYR 36 1HD TYR 36 -0.857 6.356 0.206 232 HD2 TYR 36 2HD TYR 36 -4.652 4.437 0.069 233 HE1 TYR 36 1HE TYR 36 -1.525 7.542 2.254 234 HE2 TYR 36 2HE TYR 36 -5.330 5.619 2.116 235 HH TYR 36 HH TYR 36 -3.540 8.224 3.414 236 H CYS 37 H CYS 37 -2.932 1.777 -0.889 237 HA CYS 37 HA CYS 37 -1.812 0.126 -3.047 238 1HB CYS 37 2HB CYS 37 -3.654 -0.452 -0.739 239 2HB CYS 37 1HB CYS 37 -3.565 -1.545 -2.110 240 H ARG 38 H ARG 38 -2.861 -0.254 -4.907 241 HA ARG 38 HA ARG 38 -5.625 0.706 -5.171 242 1HB ARG 38 2HB ARG 38 -3.387 1.159 -7.155 243 2HB ARG 38 1HB ARG 38 -5.075 1.583 -7.411 244 1HG ARG 38 2HG ARG 38 -3.495 2.687 -5.113 245 2HG ARG 38 1HG ARG 38 -3.492 3.443 -6.708 246 1HD ARG 38 2HD ARG 38 -6.136 3.147 -6.348 247 2HD ARG 38 1HD ARG 38 -5.626 3.307 -4.668 248 HE ARG 38 HE ARG 38 -4.428 5.330 -6.222 249 1HH1 ARG 38 1HH1 ARG 38 -7.545 4.415 -4.920 250 2HH1 ARG 38 2HH1 ARG 38 -8.123 6.044 -4.839 251 1HH2 ARG 38 1HH2 ARG 38 -5.197 7.467 -6.110 252 2HH2 ARG 38 2HH2 ARG 38 -6.794 7.775 -5.514 253 H ALA 39 H ALA 39 -6.955 -0.717 -6.052 254 HA ALA 39 HA ALA 39 -6.054 -3.312 -6.783 255 1HB ALA 39 1HB ALA 39 -8.162 -3.336 -5.839 256 2HB ALA 39 2HB ALA 39 -8.530 -3.507 -7.555 257 3HB ALA 39 3HB ALA 39 -8.709 -1.939 -6.766 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -4.239 -15.286 4.953 2 2H GLY 1 2HT GLY 1 -4.066 -16.018 3.438 3 3H GLY 1 3HT GLY 1 -4.660 -14.438 3.551 4 1HA GLY 1 1HA GLY 1 -1.931 -15.270 4.371 5 2HA GLY 1 2HA GLY 1 -2.318 -14.538 2.821 6 H SER 2 H SER 2 -0.647 -12.994 3.663 7 HA SER 2 HA SER 2 -1.955 -10.909 5.285 8 1HB SER 2 2HB SER 2 0.080 -12.196 6.291 9 2HB SER 2 1HB SER 2 1.032 -11.207 5.185 10 HG SER 2 HG SER 2 0.186 -10.516 7.543 11 H CYS 3 H CYS 3 -2.413 -9.188 4.095 12 HA CYS 3 HA CYS 3 -0.423 -8.070 2.316 13 1HB CYS 3 2HB CYS 3 -1.974 -7.931 0.395 14 2HB CYS 3 1HB CYS 3 -1.572 -9.594 0.806 15 H VAL 4 H VAL 4 -1.235 -5.957 1.380 16 HA VAL 4 HA VAL 4 -2.520 -4.474 3.506 17 HB VAL 4 HB VAL 4 -1.237 -3.543 0.940 18 1HG1 VAL 4 1HG1 VAL 4 -1.187 -1.324 2.172 19 2HG1 VAL 4 2HG1 VAL 4 -2.380 -2.026 3.267 20 3HG1 VAL 4 3HG1 VAL 4 -2.751 -1.850 1.551 21 1HG2 VAL 4 1HG2 VAL 4 0.399 -4.537 2.360 22 2HG2 VAL 4 2HG2 VAL 4 -0.232 -3.692 3.773 23 3HG2 VAL 4 3HG2 VAL 4 0.573 -2.788 2.490 24 HA PRO 5 HA PRO 5 -6.446 -4.581 1.349 25 1HB PRO 5 2HB PRO 5 -7.240 -2.270 2.975 26 2HB PRO 5 1HB PRO 5 -7.910 -3.901 2.948 27 1HG PRO 5 2HG PRO 5 -6.470 -2.968 5.031 28 2HG PRO 5 1HG PRO 5 -6.450 -4.674 4.545 29 1HD PRO 5 2HD PRO 5 -4.431 -2.527 4.019 30 2HD PRO 5 1HD PRO 5 -4.182 -4.233 4.442 31 H VAL 6 H VAL 6 -7.191 -3.598 -0.460 32 HA VAL 6 HA VAL 6 -5.763 -1.549 -1.688 33 HB VAL 6 HB VAL 6 -8.579 -2.490 -2.249 34 1HG1 VAL 6 1HG1 VAL 6 -8.465 -0.456 -3.366 35 2HG1 VAL 6 2HG1 VAL 6 -7.951 -1.616 -4.592 36 3HG1 VAL 6 3HG1 VAL 6 -6.751 -0.646 -3.737 37 1HG2 VAL 6 1HG2 VAL 6 -5.867 -3.411 -3.051 38 2HG2 VAL 6 2HG2 VAL 6 -7.198 -3.574 -4.198 39 3HG2 VAL 6 3HG2 VAL 6 -7.294 -4.351 -2.616 40 H ASP 7 H ASP 7 -6.276 0.607 -2.077 41 HA ASP 7 HA ASP 7 -7.036 2.687 -1.655 42 1HB ASP 7 2HB ASP 7 -9.240 1.423 -0.022 43 2HB ASP 7 1HB ASP 7 -9.194 3.054 -0.677 44 H GLN 8 H GLN 8 -5.574 0.669 0.421 45 HA GLN 8 HA GLN 8 -5.607 2.636 2.602 46 1HB GLN 8 2HB GLN 8 -4.811 -0.266 2.826 47 2HB GLN 8 1HB GLN 8 -5.021 0.881 4.140 48 1HG GLN 8 2HG GLN 8 -7.175 -0.223 2.355 49 2HG GLN 8 1HG GLN 8 -6.902 -0.609 4.054 50 1HE2 GLN 8 1HE2 GLN 8 -8.638 1.263 1.936 51 2HE2 GLN 8 2HE2 GLN 8 -9.215 2.463 3.037 52 HA PRO 9 HA PRO 9 -1.383 3.516 1.830 53 1HB PRO 9 2HB PRO 9 -0.344 3.754 4.348 54 2HB PRO 9 1HB PRO 9 -1.313 4.988 3.545 55 1HG PRO 9 2HG PRO 9 -2.125 2.968 5.589 56 2HG PRO 9 1HG PRO 9 -2.623 4.659 5.431 57 1HD PRO 9 2HD PRO 9 -4.186 2.595 4.651 58 2HD PRO 9 1HD PRO 9 -4.216 4.175 3.845 59 H CYS 10 H CYS 10 0.475 2.533 1.451 60 HA CYS 10 HA CYS 10 1.130 0.075 2.921 61 1HB CYS 10 2HB CYS 10 1.986 -0.825 0.690 62 2HB CYS 10 1HB CYS 10 0.242 -0.770 0.902 63 H SER 11 H SER 11 3.466 -0.619 1.995 64 HA SER 11 HA SER 11 5.189 1.717 1.729 65 1HB SER 11 2HB SER 11 5.054 -0.040 4.120 66 2HB SER 11 1HB SER 11 6.664 0.406 3.556 67 HG SER 11 HG SER 11 6.290 2.457 4.046 68 H LEU 12 H LEU 12 7.323 1.221 0.999 69 HA LEU 12 HA LEU 12 7.385 -0.960 -0.830 70 1HB LEU 12 2HB LEU 12 9.812 -0.184 -1.139 71 2HB LEU 12 1HB LEU 12 8.518 0.897 -1.615 72 HG LEU 12 HG LEU 12 8.846 2.266 0.334 73 1HD1 LEU 12 1HD1 LEU 12 10.893 1.644 1.806 74 2HD1 LEU 12 2HD1 LEU 12 10.586 0.008 1.227 75 3HD1 LEU 12 3HD1 LEU 12 9.334 0.880 2.113 76 1HD2 LEU 12 1HD2 LEU 12 10.293 2.756 -1.522 77 2HD2 LEU 12 2HD2 LEU 12 11.452 1.539 -0.986 78 3HD2 LEU 12 3HD2 LEU 12 11.180 2.987 -0.015 79 H ASN 13 H ASN 13 8.222 -0.727 2.471 80 HA ASN 13 HA ASN 13 9.968 -3.074 2.259 81 1HB ASN 13 2HB ASN 13 10.580 -2.471 4.656 82 2HB ASN 13 1HB ASN 13 11.130 -1.364 3.403 83 1HD2 ASN 13 1HD2 ASN 13 11.305 0.315 4.890 84 2HD2 ASN 13 2HD2 ASN 13 9.917 1.134 5.512 85 H THR 14 H THR 14 6.824 -2.652 2.522 86 HA THR 14 HA THR 14 6.487 -4.600 4.696 87 HB THR 14 HB THR 14 4.175 -3.791 4.885 88 HG1 THR 14 1HG THR 14 3.557 -1.960 3.689 89 1HG2 THR 14 1HG2 THR 14 4.593 -1.477 5.650 90 2HG2 THR 14 2HG2 THR 14 6.225 -1.596 4.992 91 3HG2 THR 14 3HG2 THR 14 5.723 -2.659 6.307 92 H GLN 15 H GLN 15 4.111 -5.673 4.223 93 HA GLN 15 HA GLN 15 4.589 -7.468 2.088 94 1HB GLN 15 2HB GLN 15 2.102 -7.004 3.742 95 2HB GLN 15 1HB GLN 15 2.356 -8.371 2.670 96 1HG GLN 15 2HG GLN 15 4.132 -7.735 5.006 97 2HG GLN 15 1HG GLN 15 2.752 -8.829 5.090 98 1HE2 GLN 15 1HE2 GLN 15 2.777 -10.625 3.482 99 2HE2 GLN 15 2HE2 GLN 15 4.297 -11.376 3.151 100 HA PRO 16 HA PRO 16 2.651 -5.527 -1.375 101 1HB PRO 16 2HB PRO 16 1.287 -7.601 -2.531 102 2HB PRO 16 1HB PRO 16 3.033 -7.372 -2.674 103 1HG PRO 16 2HG PRO 16 1.500 -9.171 -0.840 104 2HG PRO 16 1HG PRO 16 2.987 -9.501 -1.749 105 1HD PRO 16 2HD PRO 16 3.025 -8.924 0.880 106 2HD PRO 16 1HD PRO 16 4.319 -8.394 -0.215 107 H CYS 17 H CYS 17 0.377 -5.533 -2.567 108 HA CYS 17 HA CYS 17 -1.554 -4.868 -0.504 109 1HB CYS 17 2HB CYS 17 -1.749 -4.519 -3.500 110 2HB CYS 17 1HB CYS 17 -2.842 -3.841 -2.298 111 H CYS 18 H CYS 18 -3.924 -5.328 -1.235 112 HA CYS 18 HA CYS 18 -4.117 -8.231 -1.609 113 1HB CYS 18 2HB CYS 18 -6.161 -6.312 -0.472 114 2HB CYS 18 1HB CYS 18 -6.280 -8.065 -0.489 115 H ASP 19 H ASP 19 -6.153 -8.977 -2.710 116 HA ASP 19 HA ASP 19 -7.346 -9.163 -4.642 117 1HB ASP 19 2HB ASP 19 -7.660 -6.166 -4.394 118 2HB ASP 19 1HB ASP 19 -8.721 -7.272 -5.261 119 H ASP 20 H ASP 20 -4.475 -8.699 -4.845 120 HA ASP 20 HA ASP 20 -2.902 -8.445 -6.460 121 1HB ASP 20 2HB ASP 20 -4.739 -9.593 -7.831 122 2HB ASP 20 1HB ASP 20 -5.115 -7.990 -8.457 123 H ALA 21 H ALA 21 -3.724 -6.190 -4.953 124 HA ALA 21 HA ALA 21 -3.899 -3.924 -6.730 125 1HB ALA 21 1HB ALA 21 -3.980 -4.358 -3.820 126 2HB ALA 21 2HB ALA 21 -4.933 -3.277 -4.832 127 3HB ALA 21 3HB ALA 21 -3.304 -2.815 -4.338 128 H THR 22 H THR 22 -2.296 -2.042 -6.147 129 HA THR 22 HA THR 22 0.439 -3.064 -5.943 130 HB THR 22 HB THR 22 -0.536 -1.175 -8.094 131 HG1 THR 22 1HG THR 22 -1.017 -3.454 -8.373 132 1HG2 THR 22 1HG2 THR 22 1.583 -0.470 -8.064 133 2HG2 THR 22 2HG2 THR 22 1.900 -1.989 -8.903 134 3HG2 THR 22 3HG2 THR 22 2.150 -1.876 -7.161 135 H CYS 23 H CYS 23 1.851 -1.723 -4.913 136 HA CYS 23 HA CYS 23 0.725 0.459 -3.408 137 1HB CYS 23 2HB CYS 23 2.531 -1.266 -2.672 138 2HB CYS 23 1HB CYS 23 3.657 -0.219 -3.528 139 H THR 24 H THR 24 0.446 2.397 -4.336 140 HA THR 24 HA THR 24 2.498 3.353 -6.211 141 HB THR 24 HB THR 24 -0.494 3.752 -6.242 142 HG1 THR 24 1HG THR 24 -0.061 1.969 -7.357 143 1HG2 THR 24 1HG2 THR 24 0.362 5.884 -6.855 144 2HG2 THR 24 2HG2 THR 24 -0.125 5.056 -8.333 145 3HG2 THR 24 3HG2 THR 24 1.583 5.159 -7.900 146 H GLN 25 H GLN 25 2.838 5.604 -6.319 147 HA GLN 25 HA GLN 25 2.956 6.880 -3.763 148 1HB GLN 25 2HB GLN 25 4.780 7.170 -5.321 149 2HB GLN 25 1HB GLN 25 3.689 7.795 -6.550 150 1HG GLN 25 2HG GLN 25 3.386 9.811 -5.419 151 2HG GLN 25 1HG GLN 25 4.039 9.166 -3.915 152 1HE2 GLN 25 1HE2 GLN 25 4.756 11.495 -5.690 153 2HE2 GLN 25 2HE2 GLN 25 6.455 11.329 -5.950 154 H GLU 26 H GLU 26 1.721 8.508 -2.997 155 HA GLU 26 HA GLU 26 -0.177 9.885 -4.702 156 1HB GLU 26 2HB GLU 26 -1.133 8.275 -2.329 157 2HB GLU 26 1HB GLU 26 -2.125 9.298 -3.358 158 1HG GLU 26 2HG GLU 26 -1.552 7.824 -5.275 159 2HG GLU 26 1HG GLU 26 -0.723 6.757 -4.144 160 H ARG 27 H ARG 27 -1.657 11.271 -3.051 161 HA ARG 27 HA ARG 27 0.238 12.557 -1.194 162 1HB ARG 27 2HB ARG 27 -1.770 13.719 -3.095 163 2HB ARG 27 1HB ARG 27 -1.288 14.617 -1.662 164 1HG ARG 27 2HG ARG 27 1.117 13.821 -2.752 165 2HG ARG 27 1HG ARG 27 0.126 14.195 -4.164 166 1HD ARG 27 2HD ARG 27 -0.439 16.298 -2.528 167 2HD ARG 27 1HD ARG 27 1.243 15.971 -2.111 168 HE ARG 27 HE ARG 27 1.877 16.716 -4.186 169 1HH1 ARG 27 1HH1 ARG 27 -1.591 16.249 -4.164 170 2HH1 ARG 27 2HH1 ARG 27 -1.823 17.019 -5.697 171 1HH2 ARG 27 1HH2 ARG 27 1.561 17.725 -6.199 172 2HH2 ARG 27 2HH2 ARG 27 -0.038 17.854 -6.851 173 H ASN 28 H ASN 28 -0.473 13.160 0.817 174 HA ASN 28 HA ASN 28 -3.033 11.999 1.638 175 1HB ASN 28 2HB ASN 28 -2.162 12.088 3.910 176 2HB ASN 28 1HB ASN 28 -0.999 11.298 2.855 177 1HD2 ASN 28 1HD2 ASN 28 -0.114 12.191 5.204 178 2HD2 ASN 28 2HD2 ASN 28 0.867 13.600 5.005 179 H GLU 29 H GLU 29 -3.702 13.358 3.845 180 HA GLU 29 HA GLU 29 -4.913 15.698 2.833 181 1HB GLU 29 2HB GLU 29 -4.687 14.443 5.542 182 2HB GLU 29 1HB GLU 29 -5.331 16.073 5.398 183 1HG GLU 29 2HG GLU 29 -7.146 15.343 4.079 184 2HG GLU 29 1HG GLU 29 -6.420 13.757 3.829 185 H ASN 30 H ASN 30 -1.937 15.122 4.561 186 HA ASN 30 HA ASN 30 -1.505 17.860 5.288 187 1HB ASN 30 2HB ASN 30 0.470 15.571 5.146 188 2HB ASN 30 1HB ASN 30 0.732 17.115 5.952 189 1HD2 ASN 30 1HD2 ASN 30 1.181 15.541 7.727 190 2HD2 ASN 30 2HD2 ASN 30 -0.149 15.076 8.726 191 H GLY 31 H GLY 31 -0.756 15.850 2.534 192 1HA GLY 31 2HA GLY 31 -0.384 16.873 0.393 193 2HA GLY 31 1HA GLY 31 0.378 18.225 1.213 194 H HIS 32 H HIS 32 1.359 15.221 2.481 195 HA HIS 32 HA HIS 32 3.940 15.512 1.141 196 1HB HIS 32 2HB HIS 32 3.349 15.101 3.767 197 2HB HIS 32 1HB HIS 32 3.635 13.449 3.233 198 HD1 HIS 32 1HD HIS 32 5.376 16.794 3.450 199 HD2 HIS 32 2HD HIS 32 6.276 12.776 2.887 200 HE1 HIS 32 1HE HIS 32 7.884 16.644 3.558 201 HE2 HIS 32 2HE HIS 32 8.401 14.193 3.292 202 H THR 33 H THR 33 5.011 13.704 0.191 203 HA THR 33 HA THR 33 3.299 12.069 -1.366 204 HB THR 33 HB THR 33 6.274 11.776 -0.911 205 HG1 THR 33 1HG THR 33 4.822 13.231 -2.865 206 1HG2 THR 33 1HG2 THR 33 6.400 10.538 -2.888 207 2HG2 THR 33 2HG2 THR 33 4.748 10.944 -3.350 208 3HG2 THR 33 3HG2 THR 33 5.041 9.842 -2.006 209 H VAL 34 H VAL 34 2.447 10.152 -0.969 210 HA VAL 34 HA VAL 34 3.630 8.457 1.118 211 HB VAL 34 HB VAL 34 1.325 7.817 1.838 212 1HG1 VAL 34 1HG1 VAL 34 2.582 10.448 2.285 213 2HG1 VAL 34 2HG1 VAL 34 2.154 9.181 3.435 214 3HG1 VAL 34 3HG1 VAL 34 0.913 10.279 2.830 215 1HG2 VAL 34 1HG2 VAL 34 0.493 10.242 0.248 216 2HG2 VAL 34 2HG2 VAL 34 -0.547 9.258 1.278 217 3HG2 VAL 34 3HG2 VAL 34 0.149 8.568 -0.188 218 H TYR 35 H TYR 35 2.513 6.217 1.037 219 HA TYR 35 HA TYR 35 2.183 5.453 -1.793 220 1HB TYR 35 2HB TYR 35 3.368 3.699 0.361 221 2HB TYR 35 1HB TYR 35 3.355 3.412 -1.376 222 HD1 TYR 35 1HD TYR 35 4.918 4.545 -2.840 223 HD2 TYR 35 2HD TYR 35 4.931 5.288 1.350 224 HE1 TYR 35 1HE TYR 35 7.114 5.633 -3.046 225 HE2 TYR 35 2HE TYR 35 7.126 6.379 1.155 226 HH TYR 35 HH TYR 35 9.085 6.309 -0.422 227 H TYR 36 H TYR 36 0.299 4.527 -2.286 228 HA TYR 36 HA TYR 36 -1.235 3.253 -0.117 229 1HB TYR 36 2HB TYR 36 -2.047 5.325 -2.077 230 2HB TYR 36 1HB TYR 36 -3.223 4.065 -1.725 231 HD1 TYR 36 1HD TYR 36 -0.885 6.314 0.142 232 HD2 TYR 36 2HD TYR 36 -4.728 4.495 -0.035 233 HE1 TYR 36 1HE TYR 36 -1.538 7.508 2.191 234 HE2 TYR 36 2HE TYR 36 -5.392 5.685 2.011 235 HH TYR 36 HH TYR 36 -3.193 7.225 4.039 236 H CYS 37 H CYS 37 -2.966 1.788 -0.945 237 HA CYS 37 HA CYS 37 -1.852 0.120 -3.092 238 1HB CYS 37 2HB CYS 37 -3.677 -0.441 -0.767 239 2HB CYS 37 1HB CYS 37 -3.597 -1.547 -2.126 240 H ARG 38 H ARG 38 -2.876 -0.224 -4.960 241 HA ARG 38 HA ARG 38 -5.659 0.685 -5.226 242 1HB ARG 38 2HB ARG 38 -3.454 1.155 -7.242 243 2HB ARG 38 1HB ARG 38 -5.138 1.623 -7.424 244 1HG ARG 38 2HG ARG 38 -3.303 2.661 -5.277 245 2HG ARG 38 1HG ARG 38 -3.648 3.490 -6.797 246 1HD ARG 38 2HD ARG 38 -6.145 3.111 -6.018 247 2HD ARG 38 1HD ARG 38 -5.390 3.050 -4.426 248 HE ARG 38 HE ARG 38 -4.448 5.305 -5.819 249 1HH1 ARG 38 1HH1 ARG 38 -7.359 4.125 -4.278 250 2HH1 ARG 38 2HH1 ARG 38 -7.940 5.709 -3.891 251 1HH2 ARG 38 1HH2 ARG 38 -5.218 7.383 -5.304 252 2HH2 ARG 38 2HH2 ARG 38 -6.727 7.555 -4.471 253 H ALA 39 H ALA 39 -6.957 -0.770 -6.103 254 HA ALA 39 HA ALA 39 -6.012 -3.338 -6.847 255 1HB ALA 39 1HB ALA 39 -8.118 -3.494 -5.983 256 2HB ALA 39 2HB ALA 39 -8.510 -3.475 -7.703 257 3HB ALA 39 3HB ALA 39 -8.663 -2.001 -6.747 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -2.083 -15.872 3.841 2 2H GLY 1 2HT GLY 1 -0.941 -16.307 5.011 3 3H GLY 1 3HT GLY 1 -0.765 -16.844 3.416 4 1HA GLY 1 1HA GLY 1 0.598 -14.808 4.320 5 2HA GLY 1 2HA GLY 1 0.035 -14.882 2.658 6 H SER 2 H SER 2 0.550 -12.635 4.636 7 HA SER 2 HA SER 2 -2.110 -11.415 4.722 8 1HB SER 2 2HB SER 2 0.503 -10.767 6.076 9 2HB SER 2 1HB SER 2 -0.834 -9.616 6.051 10 HG SER 2 HG SER 2 -1.043 -12.282 6.997 11 H CYS 3 H CYS 3 -2.374 -9.186 4.033 12 HA CYS 3 HA CYS 3 -0.403 -8.088 2.220 13 1HB CYS 3 2HB CYS 3 -1.985 -7.923 0.328 14 2HB CYS 3 1HB CYS 3 -1.606 -9.593 0.731 15 H VAL 4 H VAL 4 -1.192 -5.953 1.326 16 HA VAL 4 HA VAL 4 -2.427 -4.475 3.485 17 HB VAL 4 HB VAL 4 -1.175 -3.532 0.908 18 1HG1 VAL 4 1HG1 VAL 4 -1.070 -1.331 2.170 19 2HG1 VAL 4 2HG1 VAL 4 -2.253 -2.032 3.276 20 3HG1 VAL 4 3HG1 VAL 4 -2.653 -1.827 1.570 21 1HG2 VAL 4 1HG2 VAL 4 0.307 -4.697 2.570 22 2HG2 VAL 4 2HG2 VAL 4 -0.050 -3.384 3.692 23 3HG2 VAL 4 3HG2 VAL 4 0.772 -3.044 2.169 24 HA PRO 5 HA PRO 5 -6.384 -4.504 1.382 25 1HB PRO 5 2HB PRO 5 -7.125 -2.200 3.045 26 2HB PRO 5 1HB PRO 5 -7.816 -3.823 3.010 27 1HG PRO 5 2HG PRO 5 -6.333 -2.927 5.081 28 2HG PRO 5 1HG PRO 5 -6.346 -4.629 4.581 29 1HD PRO 5 2HD PRO 5 -4.301 -2.510 4.048 30 2HD PRO 5 1HD PRO 5 -4.074 -4.224 4.447 31 H VAL 6 H VAL 6 -7.126 -3.494 -0.410 32 HA VAL 6 HA VAL 6 -5.688 -1.441 -1.623 33 HB VAL 6 HB VAL 6 -8.517 -2.347 -2.183 34 1HG1 VAL 6 1HG1 VAL 6 -8.353 -0.296 -3.280 35 2HG1 VAL 6 2HG1 VAL 6 -7.891 -1.466 -4.516 36 3HG1 VAL 6 3HG1 VAL 6 -6.650 -0.538 -3.674 37 1HG2 VAL 6 1HG2 VAL 6 -5.829 -3.350 -2.905 38 2HG2 VAL 6 2HG2 VAL 6 -7.074 -3.398 -4.155 39 3HG2 VAL 6 3HG2 VAL 6 -7.330 -4.231 -2.621 40 H ASP 7 H ASP 7 -6.194 0.721 -1.989 41 HA ASP 7 HA ASP 7 -6.944 2.799 -1.543 42 1HB ASP 7 2HB ASP 7 -9.130 1.534 0.113 43 2HB ASP 7 1HB ASP 7 -9.088 3.168 -0.535 44 H GLN 8 H GLN 8 -5.471 0.754 0.503 45 HA GLN 8 HA GLN 8 -5.462 2.714 2.691 46 1HB GLN 8 2HB GLN 8 -4.678 -0.190 2.911 47 2HB GLN 8 1HB GLN 8 -4.898 0.958 4.224 48 1HG GLN 8 2HG GLN 8 -7.040 -0.150 2.427 49 2HG GLN 8 1HG GLN 8 -6.775 -0.540 4.126 50 1HE2 GLN 8 1HE2 GLN 8 -8.745 1.083 2.175 51 2HE2 GLN 8 2HE2 GLN 8 -9.237 2.375 3.211 52 HA PRO 9 HA PRO 9 -1.235 3.544 1.879 53 1HB PRO 9 2HB PRO 9 -0.170 3.767 4.389 54 2HB PRO 9 1HB PRO 9 -1.127 5.016 3.593 55 1HG PRO 9 2HG PRO 9 -1.951 3.016 5.650 56 2HG PRO 9 1HG PRO 9 -2.431 4.712 5.484 57 1HD PRO 9 2HD PRO 9 -4.019 2.656 4.727 58 2HD PRO 9 1HD PRO 9 -4.046 4.235 3.920 59 H CYS 10 H CYS 10 0.606 2.530 1.485 60 HA CYS 10 HA CYS 10 1.205 0.041 2.929 61 1HB CYS 10 2HB CYS 10 2.085 -0.815 0.685 62 2HB CYS 10 1HB CYS 10 0.340 -0.750 0.883 63 H SER 11 H SER 11 3.543 -0.675 2.021 64 HA SER 11 HA SER 11 5.306 1.647 1.876 65 1HB SER 11 2HB SER 11 4.915 0.776 4.315 66 2HB SER 11 1HB SER 11 5.998 -0.527 3.826 67 HG SER 11 HG SER 11 6.972 1.423 4.808 68 H LEU 12 H LEU 12 7.548 1.047 1.332 69 HA LEU 12 HA LEU 12 7.555 -0.975 -0.706 70 1HB LEU 12 2HB LEU 12 10.012 -0.264 -0.904 71 2HB LEU 12 1HB LEU 12 8.768 0.891 -1.338 72 HG LEU 12 HG LEU 12 9.085 2.102 0.724 73 1HD1 LEU 12 1HD1 LEU 12 11.126 1.315 2.143 74 2HD1 LEU 12 2HD1 LEU 12 10.745 -0.265 1.459 75 3HD1 LEU 12 3HD1 LEU 12 9.536 0.601 2.407 76 1HD2 LEU 12 1HD2 LEU 12 11.617 1.426 -0.740 77 2HD2 LEU 12 2HD2 LEU 12 11.518 2.699 0.475 78 3HD2 LEU 12 3HD2 LEU 12 10.544 2.803 -0.991 79 H ASN 13 H ASN 13 8.323 -0.959 2.623 80 HA ASN 13 HA ASN 13 9.979 -3.362 2.315 81 1HB ASN 13 2HB ASN 13 9.861 -1.218 4.392 82 2HB ASN 13 1HB ASN 13 10.393 -2.830 4.862 83 1HD2 ASN 13 1HD2 ASN 13 11.531 0.053 4.103 84 2HD2 ASN 13 2HD2 ASN 13 13.014 -0.368 3.323 85 H THR 14 H THR 14 6.847 -2.820 2.564 86 HA THR 14 HA THR 14 6.389 -4.813 4.673 87 HB THR 14 HB THR 14 4.081 -3.962 4.759 88 HG1 THR 14 1HG THR 14 3.888 -3.220 2.631 89 1HG2 THR 14 1HG2 THR 14 5.130 -2.773 6.359 90 2HG2 THR 14 2HG2 THR 14 4.766 -1.442 5.262 91 3HG2 THR 14 3HG2 THR 14 6.371 -2.172 5.259 92 H GLN 15 H GLN 15 4.032 -5.846 4.112 93 HA GLN 15 HA GLN 15 4.544 -7.608 1.948 94 1HB GLN 15 2HB GLN 15 2.036 -7.188 3.584 95 2HB GLN 15 1HB GLN 15 2.321 -8.539 2.501 96 1HG GLN 15 2HG GLN 15 4.064 -7.914 4.865 97 2HG GLN 15 1HG GLN 15 2.686 -9.014 4.925 98 1HE2 GLN 15 1HE2 GLN 15 5.692 -9.318 5.188 99 2HE2 GLN 15 2HE2 GLN 15 6.072 -10.635 4.137 100 HA PRO 16 HA PRO 16 2.620 -5.598 -1.486 101 1HB PRO 16 2HB PRO 16 1.214 -7.642 -2.656 102 2HB PRO 16 1HB PRO 16 2.961 -7.429 -2.820 103 1HG PRO 16 2HG PRO 16 1.436 -9.234 -0.982 104 2HG PRO 16 1HG PRO 16 2.903 -9.571 -1.922 105 1HD PRO 16 2HD PRO 16 3.007 -9.032 0.706 106 2HD PRO 16 1HD PRO 16 4.274 -8.477 -0.407 107 H CYS 17 H CYS 17 0.350 -5.475 -2.635 108 HA CYS 17 HA CYS 17 -1.546 -4.850 -0.537 109 1HB CYS 17 2HB CYS 17 -1.795 -4.441 -3.522 110 2HB CYS 17 1HB CYS 17 -2.843 -3.759 -2.283 111 H CYS 18 H CYS 18 -3.932 -5.261 -1.224 112 HA CYS 18 HA CYS 18 -4.183 -8.151 -1.661 113 1HB CYS 18 2HB CYS 18 -6.183 -6.237 -0.444 114 2HB CYS 18 1HB CYS 18 -6.302 -7.989 -0.477 115 H ASP 19 H ASP 19 -6.272 -8.833 -2.714 116 HA ASP 19 HA ASP 19 -7.513 -8.962 -4.621 117 1HB ASP 19 2HB ASP 19 -7.781 -6.018 -4.001 118 2HB ASP 19 1HB ASP 19 -8.701 -6.826 -5.267 119 H ASP 20 H ASP 20 -4.656 -8.564 -4.914 120 HA ASP 20 HA ASP 20 -3.131 -8.305 -6.571 121 1HB ASP 20 2HB ASP 20 -5.439 -7.764 -8.441 122 2HB ASP 20 1HB ASP 20 -3.842 -8.379 -8.852 123 H ALA 21 H ALA 21 -3.830 -6.071 -4.971 124 HA ALA 21 HA ALA 21 -3.972 -3.754 -6.693 125 1HB ALA 21 1HB ALA 21 -4.019 -4.246 -3.785 126 2HB ALA 21 2HB ALA 21 -4.979 -3.139 -4.765 127 3HB ALA 21 3HB ALA 21 -3.335 -2.705 -4.297 128 H THR 22 H THR 22 -2.301 -1.935 -6.043 129 HA THR 22 HA THR 22 0.399 -3.042 -5.873 130 HB THR 22 HB THR 22 -0.534 -1.141 -8.034 131 HG1 THR 22 1HG THR 22 0.428 -3.802 -8.212 132 1HG2 THR 22 1HG2 THR 22 1.616 -1.033 -8.872 133 2HG2 THR 22 2HG2 THR 22 2.164 -2.411 -7.918 134 3HG2 THR 22 3HG2 THR 22 1.850 -0.865 -7.132 135 H CYS 23 H CYS 23 1.876 -1.715 -4.891 136 HA CYS 23 HA CYS 23 0.809 0.480 -3.361 137 1HB CYS 23 2HB CYS 23 2.590 -1.272 -2.644 138 2HB CYS 23 1HB CYS 23 3.724 -0.253 -3.524 139 H THR 24 H THR 24 0.553 2.424 -4.277 140 HA THR 24 HA THR 24 2.607 3.359 -6.164 141 HB THR 24 HB THR 24 -0.384 3.761 -6.210 142 HG1 THR 24 1HG THR 24 1.400 2.744 -8.161 143 1HG2 THR 24 1HG2 THR 24 0.664 5.895 -6.781 144 2HG2 THR 24 2HG2 THR 24 -0.127 5.152 -8.170 145 3HG2 THR 24 3HG2 THR 24 1.629 5.084 -8.014 146 H GLN 25 H GLN 25 2.960 5.609 -6.272 147 HA GLN 25 HA GLN 25 3.051 6.890 -3.713 148 1HB GLN 25 2HB GLN 25 4.911 7.153 -5.226 149 2HB GLN 25 1HB GLN 25 3.856 7.774 -6.488 150 1HG GLN 25 2HG GLN 25 3.554 9.807 -5.402 151 2HG GLN 25 1HG GLN 25 4.137 9.175 -3.865 152 1HE2 GLN 25 1HE2 GLN 25 4.979 11.494 -5.523 153 2HE2 GLN 25 2HE2 GLN 25 6.678 11.289 -5.757 154 H GLU 26 H GLU 26 1.664 8.327 -2.904 155 HA GLU 26 HA GLU 26 -0.131 9.801 -4.668 156 1HB GLU 26 2HB GLU 26 -1.151 8.199 -2.318 157 2HB GLU 26 1HB GLU 26 -2.111 9.207 -3.389 158 1HG GLU 26 2HG GLU 26 -1.499 7.717 -5.267 159 2HG GLU 26 1HG GLU 26 -0.670 6.671 -4.116 160 H ARG 27 H ARG 27 -1.634 11.196 -3.058 161 HA ARG 27 HA ARG 27 0.232 12.485 -1.177 162 1HB ARG 27 2HB ARG 27 -1.888 13.631 -2.979 163 2HB ARG 27 1HB ARG 27 -1.266 14.530 -1.602 164 1HG ARG 27 2HG ARG 27 1.055 13.949 -2.696 165 2HG ARG 27 1HG ARG 27 0.069 13.793 -4.151 166 1HD ARG 27 2HD ARG 27 -0.869 16.126 -3.123 167 2HD ARG 27 1HD ARG 27 0.819 16.185 -2.617 168 HE ARG 27 HE ARG 27 -0.163 16.619 -5.224 169 1HH1 ARG 27 1HH1 ARG 27 2.495 15.069 -3.558 170 2HH1 ARG 27 2HH1 ARG 27 3.587 15.242 -4.889 171 1HH2 ARG 27 1HH2 ARG 27 1.279 16.843 -6.967 172 2HH2 ARG 27 2HH2 ARG 27 2.898 16.248 -6.821 173 H ASN 28 H ASN 28 -0.463 13.018 0.857 174 HA ASN 28 HA ASN 28 -2.951 11.747 1.707 175 1HB ASN 28 2HB ASN 28 -2.081 11.995 3.980 176 2HB ASN 28 1HB ASN 28 -0.891 11.216 2.946 177 1HD2 ASN 28 1HD2 ASN 28 -0.062 12.288 5.261 178 2HD2 ASN 28 2HD2 ASN 28 0.856 13.724 4.977 179 H GLU 29 H GLU 29 -3.759 13.092 3.856 180 HA GLU 29 HA GLU 29 -5.185 15.262 2.827 181 1HB GLU 29 2HB GLU 29 -4.580 14.600 5.714 182 2HB GLU 29 1HB GLU 29 -5.839 15.690 5.159 183 1HG GLU 29 2HG GLU 29 -5.682 12.735 4.624 184 2HG GLU 29 1HG GLU 29 -6.770 13.542 5.753 185 H ASN 30 H ASN 30 -2.090 15.089 4.440 186 HA ASN 30 HA ASN 30 -1.895 17.914 4.915 187 1HB ASN 30 2HB ASN 30 0.030 15.613 5.131 188 2HB ASN 30 1HB ASN 30 0.576 17.276 5.318 189 1HD2 ASN 30 1HD2 ASN 30 1.153 16.888 7.462 190 2HD2 ASN 30 2HD2 ASN 30 -0.030 16.756 8.714 191 H GLY 31 H GLY 31 -1.028 15.721 2.343 192 1HA GLY 31 2HA GLY 31 -0.818 16.624 0.109 193 2HA GLY 31 1HA GLY 31 -0.047 18.039 0.806 194 H HIS 32 H HIS 32 1.296 15.574 2.482 195 HA HIS 32 HA HIS 32 3.723 15.701 0.959 196 1HB HIS 32 2HB HIS 32 3.051 15.182 3.631 197 2HB HIS 32 1HB HIS 32 3.740 13.676 3.035 198 HD1 HIS 32 1HD HIS 32 4.922 17.054 1.872 199 HD2 HIS 32 2HD HIS 32 6.161 13.953 4.346 200 HE1 HIS 32 1HE HIS 32 7.309 17.580 2.466 201 HE2 HIS 32 2HE HIS 32 8.009 15.734 4.032 202 H THR 33 H THR 33 4.893 13.826 0.185 203 HA THR 33 HA THR 33 3.233 12.112 -1.365 204 HB THR 33 HB THR 33 6.211 11.929 -0.870 205 HG1 THR 33 1HG THR 33 5.656 13.917 -1.777 206 1HG2 THR 33 1HG2 THR 33 6.413 10.573 -2.730 207 2HG2 THR 33 2HG2 THR 33 4.813 10.997 -3.339 208 3HG2 THR 33 3HG2 THR 33 4.970 9.937 -1.939 209 H VAL 34 H VAL 34 2.663 10.036 -1.088 210 HA VAL 34 HA VAL 34 3.817 8.472 1.088 211 HB VAL 34 HB VAL 34 1.543 7.807 1.884 212 1HG1 VAL 34 1HG1 VAL 34 3.104 9.815 2.724 213 2HG1 VAL 34 2HG1 VAL 34 1.578 9.392 3.499 214 3HG1 VAL 34 3HG1 VAL 34 1.641 10.724 2.345 215 1HG2 VAL 34 1HG2 VAL 34 0.714 10.074 0.087 216 2HG2 VAL 34 2HG2 VAL 34 -0.295 9.471 1.402 217 3HG2 VAL 34 3HG2 VAL 34 0.145 8.404 0.068 218 H TYR 35 H TYR 35 2.708 6.219 1.078 219 HA TYR 35 HA TYR 35 2.372 5.398 -1.736 220 1HB TYR 35 2HB TYR 35 3.439 3.610 0.445 221 2HB TYR 35 1HB TYR 35 3.538 3.387 -1.297 222 HD1 TYR 35 1HD TYR 35 5.207 4.563 -2.614 223 HD2 TYR 35 2HD TYR 35 4.962 5.118 1.598 224 HE1 TYR 35 1HE TYR 35 7.427 5.619 -2.629 225 HE2 TYR 35 2HE TYR 35 7.182 6.176 1.594 226 HH TYR 35 HH TYR 35 8.629 7.412 -0.097 227 H TYR 36 H TYR 36 0.462 4.533 -2.234 228 HA TYR 36 HA TYR 36 -1.113 3.296 -0.071 229 1HB TYR 36 2HB TYR 36 -1.854 5.415 -2.002 230 2HB TYR 36 1HB TYR 36 -3.064 4.168 -1.717 231 HD1 TYR 36 1HD TYR 36 -0.865 6.576 0.085 232 HD2 TYR 36 2HD TYR 36 -4.471 4.320 0.132 233 HE1 TYR 36 1HE TYR 36 -1.549 7.724 2.148 234 HE2 TYR 36 2HE TYR 36 -5.166 5.462 2.196 235 HH TYR 36 HH TYR 36 -3.895 8.240 3.277 236 H CYS 37 H CYS 37 -2.858 1.857 -0.892 237 HA CYS 37 HA CYS 37 -1.790 0.187 -3.061 238 1HB CYS 37 2HB CYS 37 -3.586 -0.366 -0.713 239 2HB CYS 37 1HB CYS 37 -3.549 -1.461 -2.084 240 H ARG 38 H ARG 38 -2.850 -0.141 -4.915 241 HA ARG 38 HA ARG 38 -5.621 0.808 -5.134 242 1HB ARG 38 2HB ARG 38 -3.437 1.277 -7.172 243 2HB ARG 38 1HB ARG 38 -5.120 1.757 -7.334 244 1HG ARG 38 2HG ARG 38 -3.313 2.755 -5.148 245 2HG ARG 38 1HG ARG 38 -3.545 3.587 -6.688 246 1HD ARG 38 2HD ARG 38 -6.098 3.283 -6.024 247 2HD ARG 38 1HD ARG 38 -5.410 3.251 -4.402 248 HE ARG 38 HE ARG 38 -4.357 5.438 -5.829 249 1HH1 ARG 38 1HH1 ARG 38 -7.343 4.378 -4.342 250 2HH1 ARG 38 2HH1 ARG 38 -7.893 5.987 -4.019 251 1HH2 ARG 38 1HH2 ARG 38 -5.088 7.548 -5.398 252 2HH2 ARG 38 2HH2 ARG 38 -6.616 7.784 -4.617 253 H ALA 39 H ALA 39 -6.953 -0.591 -6.049 254 HA ALA 39 HA ALA 39 -6.060 -3.179 -6.809 255 1HB ALA 39 1HB ALA 39 -8.178 -3.137 -5.836 256 2HB ALA 39 2HB ALA 39 -8.511 -3.414 -7.546 257 3HB ALA 39 3HB ALA 39 -8.724 -1.806 -6.855 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -3.485 -15.590 2.126 2 2H GLY 1 2HT GLY 1 -2.629 -14.605 1.050 3 3H GLY 1 3HT GLY 1 -3.834 -13.938 2.032 4 1HA GLY 1 1HA GLY 1 -2.243 -15.027 3.885 5 2HA GLY 1 2HA GLY 1 -1.077 -14.578 2.649 6 H SER 2 H SER 2 -0.271 -13.110 4.316 7 HA SER 2 HA SER 2 -1.889 -10.903 5.160 8 1HB SER 2 2HB SER 2 -0.072 -11.679 6.582 9 2HB SER 2 1HB SER 2 1.103 -11.347 5.309 10 HG SER 2 HG SER 2 1.209 -9.553 6.488 11 H CYS 3 H CYS 3 -2.307 -9.095 4.082 12 HA CYS 3 HA CYS 3 -0.369 -7.973 2.246 13 1HB CYS 3 2HB CYS 3 -1.975 -7.828 0.373 14 2HB CYS 3 1HB CYS 3 -1.571 -9.492 0.772 15 H VAL 4 H VAL 4 -1.205 -5.860 1.338 16 HA VAL 4 HA VAL 4 -2.433 -4.373 3.500 17 HB VAL 4 HB VAL 4 -1.177 -3.453 0.916 18 1HG1 VAL 4 1HG1 VAL 4 -1.094 -1.231 2.143 19 2HG1 VAL 4 2HG1 VAL 4 -2.283 -1.919 3.248 20 3HG1 VAL 4 3HG1 VAL 4 -2.668 -1.745 1.537 21 1HG2 VAL 4 1HG2 VAL 4 0.564 -4.322 2.168 22 2HG2 VAL 4 2HG2 VAL 4 -0.151 -3.818 3.700 23 3HG2 VAL 4 3HG2 VAL 4 0.573 -2.619 2.628 24 HA PRO 5 HA PRO 5 -6.396 -4.430 1.409 25 1HB PRO 5 2HB PRO 5 -7.121 -2.091 3.031 26 2HB PRO 5 1HB PRO 5 -7.827 -3.707 3.020 27 1HG PRO 5 2HG PRO 5 -6.340 -2.803 5.080 28 2HG PRO 5 1HG PRO 5 -6.356 -4.508 4.595 29 1HD PRO 5 2HD PRO 5 -4.309 -2.396 4.038 30 2HD PRO 5 1HD PRO 5 -4.082 -4.104 4.462 31 H VAL 6 H VAL 6 -7.138 -3.458 -0.403 32 HA VAL 6 HA VAL 6 -5.702 -1.429 -1.658 33 HB VAL 6 HB VAL 6 -8.531 -2.347 -2.199 34 1HG1 VAL 6 1HG1 VAL 6 -8.004 -0.133 -3.184 35 2HG1 VAL 6 2HG1 VAL 6 -8.294 -1.384 -4.393 36 3HG1 VAL 6 3HG1 VAL 6 -6.646 -0.874 -4.031 37 1HG2 VAL 6 1HG2 VAL 6 -5.845 -3.367 -2.897 38 2HG2 VAL 6 2HG2 VAL 6 -7.079 -3.426 -4.156 39 3HG2 VAL 6 3HG2 VAL 6 -7.351 -4.239 -2.615 40 H ASP 7 H ASP 7 -6.209 0.728 -2.061 41 HA ASP 7 HA ASP 7 -6.958 2.813 -1.647 42 1HB ASP 7 2HB ASP 7 -9.152 1.574 0.017 43 2HB ASP 7 1HB ASP 7 -9.107 3.196 -0.660 44 H GLN 8 H GLN 8 -5.483 0.804 0.426 45 HA GLN 8 HA GLN 8 -5.478 2.792 2.588 46 1HB GLN 8 2HB GLN 8 -4.743 -0.124 2.846 47 2HB GLN 8 1HB GLN 8 -4.916 1.045 4.147 48 1HG GLN 8 2HG GLN 8 -7.115 -0.015 2.389 49 2HG GLN 8 1HG GLN 8 -6.829 -0.416 4.082 50 1HE2 GLN 8 1HE2 GLN 8 -9.265 0.484 3.358 51 2HE2 GLN 8 2HE2 GLN 8 -9.519 2.089 3.944 52 HA PRO 9 HA PRO 9 -1.239 3.583 1.789 53 1HB PRO 9 2HB PRO 9 -0.186 3.812 4.306 54 2HB PRO 9 1HB PRO 9 -1.123 5.065 3.493 55 1HG PRO 9 2HG PRO 9 -1.986 3.085 5.556 56 2HG PRO 9 1HG PRO 9 -2.442 4.787 5.380 57 1HD PRO 9 2HD PRO 9 -4.058 2.760 4.623 58 2HD PRO 9 1HD PRO 9 -4.046 4.328 3.796 59 H CYS 10 H CYS 10 0.601 2.556 1.415 60 HA CYS 10 HA CYS 10 1.177 0.075 2.882 61 1HB CYS 10 2HB CYS 10 2.084 -0.789 0.640 62 2HB CYS 10 1HB CYS 10 0.340 -0.753 0.847 63 H SER 11 H SER 11 3.520 -0.660 1.997 64 HA SER 11 HA SER 11 5.298 1.641 1.804 65 1HB SER 11 2HB SER 11 5.060 -0.133 4.175 66 2HB SER 11 1HB SER 11 6.694 0.283 3.659 67 HG SER 11 HG SER 11 6.234 1.965 4.893 68 H LEU 12 H LEU 12 7.480 1.071 1.200 69 HA LEU 12 HA LEU 12 7.530 -1.084 -0.675 70 1HB LEU 12 2HB LEU 12 9.988 -0.371 -0.893 71 2HB LEU 12 1HB LEU 12 8.740 0.744 -1.408 72 HG LEU 12 HG LEU 12 9.030 2.092 0.561 73 1HD1 LEU 12 1HD1 LEU 12 11.010 1.413 2.098 74 2HD1 LEU 12 2HD1 LEU 12 10.684 -0.212 1.495 75 3HD1 LEU 12 3HD1 LEU 12 9.423 0.683 2.345 76 1HD2 LEU 12 1HD2 LEU 12 10.661 2.216 -1.401 77 2HD2 LEU 12 2HD2 LEU 12 11.813 1.426 -0.325 78 3HD2 LEU 12 3HD2 LEU 12 11.132 2.994 0.109 79 H ASN 13 H ASN 13 8.253 -0.902 2.654 80 HA ASN 13 HA ASN 13 9.963 -3.279 2.488 81 1HB ASN 13 2HB ASN 13 9.619 -1.218 4.664 82 2HB ASN 13 1HB ASN 13 10.503 -2.723 4.898 83 1HD2 ASN 13 1HD2 ASN 13 11.940 -3.055 2.708 84 2HD2 ASN 13 2HD2 ASN 13 13.024 -1.736 2.449 85 H THR 14 H THR 14 6.813 -2.802 2.622 86 HA THR 14 HA THR 14 6.347 -4.761 4.764 87 HB THR 14 HB THR 14 4.043 -3.922 4.847 88 HG1 THR 14 1HG THR 14 3.326 -2.413 3.500 89 1HG2 THR 14 1HG2 THR 14 4.497 -1.542 5.543 90 2HG2 THR 14 2HG2 THR 14 6.180 -1.835 5.105 91 3HG2 THR 14 3HG2 THR 14 5.420 -2.793 6.376 92 H GLN 15 H GLN 15 3.990 -5.803 4.183 93 HA GLN 15 HA GLN 15 4.533 -7.565 2.025 94 1HB GLN 15 2HB GLN 15 1.971 -7.176 3.583 95 2HB GLN 15 1HB GLN 15 2.369 -8.559 2.578 96 1HG GLN 15 2HG GLN 15 4.046 -7.771 4.932 97 2HG GLN 15 1HG GLN 15 2.635 -8.816 5.089 98 1HE2 GLN 15 1HE2 GLN 15 5.060 -9.747 5.845 99 2HE2 GLN 15 2HE2 GLN 15 5.617 -10.948 4.735 100 HA PRO 16 HA PRO 16 2.640 -5.559 -1.429 101 1HB PRO 16 2HB PRO 16 1.232 -7.611 -2.595 102 2HB PRO 16 1HB PRO 16 2.976 -7.383 -2.767 103 1HG PRO 16 2HG PRO 16 1.475 -9.203 -0.926 104 2HG PRO 16 1HG PRO 16 2.944 -9.523 -1.867 105 1HD PRO 16 2HD PRO 16 3.048 -8.990 0.760 106 2HD PRO 16 1HD PRO 16 4.305 -8.412 -0.354 107 H CYS 17 H CYS 17 0.372 -5.450 -2.597 108 HA CYS 17 HA CYS 17 -1.529 -4.789 -0.517 109 1HB CYS 17 2HB CYS 17 -1.767 -4.453 -3.513 110 2HB CYS 17 1HB CYS 17 -2.833 -3.756 -2.299 111 H CYS 18 H CYS 18 -3.915 -5.222 -1.202 112 HA CYS 18 HA CYS 18 -4.156 -8.123 -1.562 113 1HB CYS 18 2HB CYS 18 -6.151 -6.174 -0.389 114 2HB CYS 18 1HB CYS 18 -6.294 -7.927 -0.401 115 H ASP 19 H ASP 19 -6.229 -8.842 -2.613 116 HA ASP 19 HA ASP 19 -7.463 -9.020 -4.522 117 1HB ASP 19 2HB ASP 19 -7.755 -6.089 -3.890 118 2HB ASP 19 1HB ASP 19 -8.591 -6.837 -5.247 119 H ASP 20 H ASP 20 -4.595 -8.598 -4.794 120 HA ASP 20 HA ASP 20 -3.057 -8.362 -6.442 121 1HB ASP 20 2HB ASP 20 -5.355 -7.920 -8.350 122 2HB ASP 20 1HB ASP 20 -3.743 -8.518 -8.727 123 H ALA 21 H ALA 21 -3.803 -6.098 -4.917 124 HA ALA 21 HA ALA 21 -3.990 -3.830 -6.694 125 1HB ALA 21 1HB ALA 21 -4.019 -4.257 -3.781 126 2HB ALA 21 2HB ALA 21 -4.979 -3.166 -4.778 127 3HB ALA 21 3HB ALA 21 -3.335 -2.724 -4.318 128 H THR 22 H THR 22 -2.345 -1.965 -6.110 129 HA THR 22 HA THR 22 0.377 -3.031 -5.970 130 HB THR 22 HB THR 22 -0.605 -1.120 -8.098 131 HG1 THR 22 1HG THR 22 0.244 -3.820 -8.248 132 1HG2 THR 22 1HG2 THR 22 1.550 -0.458 -7.985 133 2HG2 THR 22 2HG2 THR 22 1.758 -1.877 -9.011 134 3HG2 THR 22 3HG2 THR 22 2.100 -1.980 -7.284 135 H CYS 23 H CYS 23 1.831 -1.714 -4.964 136 HA CYS 23 HA CYS 23 0.765 0.491 -3.447 137 1HB CYS 23 2HB CYS 23 2.535 -1.263 -2.716 138 2HB CYS 23 1HB CYS 23 3.678 -0.256 -3.595 139 H THR 24 H THR 24 0.517 2.431 -4.373 140 HA THR 24 HA THR 24 2.577 3.358 -6.254 141 HB THR 24 HB THR 24 -0.413 3.763 -6.306 142 HG1 THR 24 1HG THR 24 0.525 1.865 -7.281 143 1HG2 THR 24 1HG2 THR 24 0.602 5.897 -6.888 144 2HG2 THR 24 2HG2 THR 24 -0.131 5.130 -8.298 145 3HG2 THR 24 3HG2 THR 24 1.620 5.094 -8.084 146 H GLN 25 H GLN 25 2.935 5.609 -6.364 147 HA GLN 25 HA GLN 25 3.036 6.891 -3.811 148 1HB GLN 25 2HB GLN 25 4.882 7.176 -5.328 149 2HB GLN 25 1HB GLN 25 3.817 7.763 -6.596 150 1HG GLN 25 2HG GLN 25 3.464 9.804 -5.501 151 2HG GLN 25 1HG GLN 25 4.140 9.202 -3.992 152 1HE2 GLN 25 1HE2 GLN 25 6.443 8.704 -3.978 153 2HE2 GLN 25 2HE2 GLN 25 7.509 9.638 -4.966 154 H GLU 26 H GLU 26 1.631 8.295 -2.978 155 HA GLU 26 HA GLU 26 -0.162 9.799 -4.715 156 1HB GLU 26 2HB GLU 26 -1.198 8.154 -2.403 157 2HB GLU 26 1HB GLU 26 -2.150 9.175 -3.470 158 1HG GLU 26 2HG GLU 26 -1.523 7.713 -5.361 159 2HG GLU 26 1HG GLU 26 -0.691 6.656 -4.223 160 H ARG 27 H ARG 27 -1.662 11.174 -3.096 161 HA ARG 27 HA ARG 27 0.214 12.463 -1.236 162 1HB ARG 27 2HB ARG 27 -2.211 13.652 -2.594 163 2HB ARG 27 1HB ARG 27 -1.048 14.510 -1.597 164 1HG ARG 27 2HG ARG 27 0.610 13.480 -3.440 165 2HG ARG 27 1HG ARG 27 -0.861 13.641 -4.403 166 1HD ARG 27 2HD ARG 27 -1.011 15.992 -3.830 167 2HD ARG 27 1HD ARG 27 0.395 15.849 -2.775 168 HE ARG 27 HE ARG 27 1.132 15.010 -5.337 169 1HH1 ARG 27 1HH1 ARG 27 0.173 17.950 -3.701 170 2HH1 ARG 27 2HH1 ARG 27 1.069 18.977 -4.768 171 1HH2 ARG 27 1HH2 ARG 27 2.305 16.367 -6.733 172 2HH2 ARG 27 2HH2 ARG 27 2.277 18.080 -6.487 173 H ASN 28 H ASN 28 -0.499 13.117 0.812 174 HA ASN 28 HA ASN 28 -2.861 11.657 1.763 175 1HB ASN 28 2HB ASN 28 -1.888 11.865 4.001 176 2HB ASN 28 1HB ASN 28 -0.739 11.133 2.886 177 1HD2 ASN 28 1HD2 ASN 28 0.274 12.098 5.125 178 2HD2 ASN 28 2HD2 ASN 28 1.119 13.581 4.858 179 H GLU 29 H GLU 29 -3.598 12.901 3.986 180 HA GLU 29 HA GLU 29 -5.121 15.072 3.105 181 1HB GLU 29 2HB GLU 29 -5.756 15.352 5.433 182 2HB GLU 29 1HB GLU 29 -5.726 13.646 5.018 183 1HG GLU 29 2HG GLU 29 -3.495 13.472 6.063 184 2HG GLU 29 1HG GLU 29 -3.629 15.159 6.556 185 H ASN 30 H ASN 30 -1.948 14.923 4.553 186 HA ASN 30 HA ASN 30 -1.830 17.738 5.141 187 1HB ASN 30 2HB ASN 30 0.129 15.468 5.269 188 2HB ASN 30 1HB ASN 30 0.689 17.132 5.417 189 1HD2 ASN 30 1HD2 ASN 30 0.353 18.226 7.277 190 2HD2 ASN 30 2HD2 ASN 30 -0.386 17.544 8.681 191 H GLY 31 H GLY 31 -0.966 15.658 2.475 192 1HA GLY 31 2HA GLY 31 -0.852 16.667 0.270 193 2HA GLY 31 1HA GLY 31 -0.067 18.054 1.004 194 H HIS 32 H HIS 32 1.347 15.542 2.534 195 HA HIS 32 HA HIS 32 3.713 15.726 0.906 196 1HB HIS 32 2HB HIS 32 3.357 15.425 3.559 197 2HB HIS 32 1HB HIS 32 3.578 13.739 3.104 198 HD1 HIS 32 1HD HIS 32 5.869 13.529 4.217 199 HD2 HIS 32 2HD HIS 32 5.680 16.544 1.363 200 HE1 HIS 32 1HE HIS 32 8.250 14.236 3.827 201 HE2 HIS 32 2HE HIS 32 8.118 16.005 2.038 202 H THR 33 H THR 33 4.872 13.865 0.084 203 HA THR 33 HA THR 33 3.199 12.143 -1.425 204 HB THR 33 HB THR 33 6.174 11.917 -0.932 205 HG1 THR 33 1HG THR 33 6.289 13.628 -2.112 206 1HG2 THR 33 1HG2 THR 33 6.354 10.458 -2.651 207 2HG2 THR 33 2HG2 THR 33 4.927 11.079 -3.478 208 3HG2 THR 33 3HG2 THR 33 4.745 10.009 -2.088 209 H VAL 34 H VAL 34 2.762 9.986 -1.227 210 HA VAL 34 HA VAL 34 3.852 8.455 0.985 211 HB VAL 34 HB VAL 34 1.616 7.819 1.838 212 1HG1 VAL 34 1HG1 VAL 34 2.227 10.769 1.987 213 2HG1 VAL 34 2HG1 VAL 34 2.928 9.509 3.003 214 3HG1 VAL 34 3HG1 VAL 34 1.205 9.871 3.110 215 1HG2 VAL 34 1HG2 VAL 34 0.657 10.057 0.057 216 2HG2 VAL 34 2HG2 VAL 34 -0.315 9.256 1.290 217 3HG2 VAL 34 3HG2 VAL 34 0.268 8.344 -0.102 218 H TYR 35 H TYR 35 2.749 6.203 0.978 219 HA TYR 35 HA TYR 35 2.389 5.388 -1.836 220 1HB TYR 35 2HB TYR 35 3.424 3.560 0.322 221 2HB TYR 35 1HB TYR 35 3.555 3.384 -1.422 222 HD1 TYR 35 1HD TYR 35 5.467 4.124 -2.547 223 HD2 TYR 35 2HD TYR 35 4.730 5.476 1.419 224 HE1 TYR 35 1HE TYR 35 7.699 5.156 -2.490 225 HE2 TYR 35 2HE TYR 35 6.959 6.512 1.487 226 HH TYR 35 HH TYR 35 8.767 7.159 -1.135 227 H TYR 36 H TYR 36 0.472 4.531 -2.332 228 HA TYR 36 HA TYR 36 -1.109 3.320 -0.159 229 1HB TYR 36 2HB TYR 36 -1.842 5.428 -2.106 230 2HB TYR 36 1HB TYR 36 -3.062 4.197 -1.795 231 HD1 TYR 36 1HD TYR 36 -0.811 6.589 -0.032 232 HD2 TYR 36 2HD TYR 36 -4.457 4.398 0.057 233 HE1 TYR 36 1HE TYR 36 -1.461 7.766 2.026 234 HE2 TYR 36 2HE TYR 36 -5.117 5.570 2.116 235 HH TYR 36 HH TYR 36 -3.475 6.855 4.110 236 H CYS 37 H CYS 37 -2.860 1.879 -0.959 237 HA CYS 37 HA CYS 37 -1.807 0.193 -3.122 238 1HB CYS 37 2HB CYS 37 -3.603 -0.337 -0.768 239 2HB CYS 37 1HB CYS 37 -3.559 -1.447 -2.127 240 H ARG 38 H ARG 38 -2.880 -0.168 -4.963 241 HA ARG 38 HA ARG 38 -5.651 0.773 -5.185 242 1HB ARG 38 2HB ARG 38 -3.441 1.291 -7.183 243 2HB ARG 38 1HB ARG 38 -5.137 1.697 -7.413 244 1HG ARG 38 2HG ARG 38 -3.587 2.773 -5.089 245 2HG ARG 38 1HG ARG 38 -3.530 3.547 -6.675 246 1HD ARG 38 2HD ARG 38 -6.187 3.259 -6.393 247 2HD ARG 38 1HD ARG 38 -5.720 3.413 -4.700 248 HE ARG 38 HE ARG 38 -4.483 5.431 -6.249 249 1HH1 ARG 38 1HH1 ARG 38 -7.592 4.540 -4.913 250 2HH1 ARG 38 2HH1 ARG 38 -8.151 6.176 -4.816 251 1HH2 ARG 38 1HH2 ARG 38 -5.227 7.574 -6.116 252 2HH2 ARG 38 2HH2 ARG 38 -6.812 7.895 -5.497 253 H ALA 39 H ALA 39 -6.973 -0.626 -6.130 254 HA ALA 39 HA ALA 39 -6.069 -3.214 -6.865 255 1HB ALA 39 1HB ALA 39 -8.365 -3.716 -7.336 256 2HB ALA 39 2HB ALA 39 -8.770 -2.002 -7.431 257 3HB ALA 39 3HB ALA 39 -8.303 -2.714 -5.886 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -1.341 -15.880 5.399 2 2H GLY 1 2HT GLY 1 0.233 -15.268 5.459 3 3H GLY 1 3HT GLY 1 -0.096 -16.663 4.562 4 1HA GLY 1 1HA GLY 1 0.173 -14.744 3.111 5 2HA GLY 1 2HA GLY 1 -1.444 -15.424 3.014 6 H SER 2 H SER 2 0.477 -12.830 4.438 7 HA SER 2 HA SER 2 -1.985 -11.313 4.940 8 1HB SER 2 2HB SER 2 -0.228 -11.638 6.768 9 2HB SER 2 1HB SER 2 0.791 -10.542 5.837 10 HG SER 2 HG SER 2 -0.885 -8.980 6.019 11 H CYS 3 H CYS 3 -2.306 -9.269 4.081 12 HA CYS 3 HA CYS 3 -0.316 -8.102 2.336 13 1HB CYS 3 2HB CYS 3 -1.834 -8.008 0.385 14 2HB CYS 3 1HB CYS 3 -1.392 -9.658 0.808 15 H VAL 4 H VAL 4 -1.167 -6.016 1.377 16 HA VAL 4 HA VAL 4 -2.513 -4.554 3.478 17 HB VAL 4 HB VAL 4 -1.250 -3.602 0.908 18 1HG1 VAL 4 1HG1 VAL 4 -1.255 -1.383 2.142 19 2HG1 VAL 4 2HG1 VAL 4 -2.432 -2.114 3.232 20 3HG1 VAL 4 3HG1 VAL 4 -2.804 -1.947 1.516 21 1HG2 VAL 4 1HG2 VAL 4 0.484 -4.455 2.209 22 2HG2 VAL 4 2HG2 VAL 4 -0.247 -3.898 3.715 23 3HG2 VAL 4 3HG2 VAL 4 0.475 -2.736 2.601 24 HA PRO 5 HA PRO 5 -6.422 -4.789 1.301 25 1HB PRO 5 2HB PRO 5 -7.290 -2.490 2.907 26 2HB PRO 5 1HB PRO 5 -7.915 -4.139 2.887 27 1HG PRO 5 2HG PRO 5 -6.512 -3.152 4.970 28 2HG PRO 5 1HG PRO 5 -6.443 -4.859 4.499 29 1HD PRO 5 2HD PRO 5 -4.479 -2.664 3.969 30 2HD PRO 5 1HD PRO 5 -4.187 -4.360 4.403 31 H VAL 6 H VAL 6 -7.167 -3.846 -0.525 32 HA VAL 6 HA VAL 6 -5.793 -1.748 -1.741 33 HB VAL 6 HB VAL 6 -8.562 -2.795 -2.355 34 1HG1 VAL 6 1HG1 VAL 6 -8.271 -0.629 -3.377 35 2HG1 VAL 6 2HG1 VAL 6 -8.155 -1.878 -4.616 36 3HG1 VAL 6 3HG1 VAL 6 -6.693 -1.102 -4.006 37 1HG2 VAL 6 1HG2 VAL 6 -5.815 -3.693 -2.978 38 2HG2 VAL 6 2HG2 VAL 6 -7.007 -3.801 -4.273 39 3HG2 VAL 6 3HG2 VAL 6 -7.290 -4.631 -2.743 40 H ASP 7 H ASP 7 -6.390 0.380 -2.155 41 HA ASP 7 HA ASP 7 -7.249 2.427 -1.763 42 1HB ASP 7 2HB ASP 7 -9.410 1.090 -0.131 43 2HB ASP 7 1HB ASP 7 -9.429 2.712 -0.809 44 H GLN 8 H GLN 8 -5.726 0.486 0.347 45 HA GLN 8 HA GLN 8 -5.847 2.481 2.500 46 1HB GLN 8 2HB GLN 8 -4.947 -0.385 2.782 47 2HB GLN 8 1HB GLN 8 -5.231 0.773 4.073 48 1HG GLN 8 2HG GLN 8 -7.306 -0.438 2.262 49 2HG GLN 8 1HG GLN 8 -7.045 -0.804 3.967 50 1HE2 GLN 8 1HE2 GLN 8 -9.195 0.553 2.138 51 2HE2 GLN 8 2HE2 GLN 8 -9.693 1.900 3.098 52 HA PRO 9 HA PRO 9 -1.647 3.489 1.753 53 1HB PRO 9 2HB PRO 9 -0.641 3.792 4.280 54 2HB PRO 9 1HB PRO 9 -1.635 4.985 3.446 55 1HG PRO 9 2HG PRO 9 -2.412 2.979 5.517 56 2HG PRO 9 1HG PRO 9 -2.960 4.651 5.318 57 1HD PRO 9 2HD PRO 9 -4.444 2.521 4.561 58 2HD PRO 9 1HD PRO 9 -4.521 4.083 3.728 59 H CYS 10 H CYS 10 0.239 2.555 1.399 60 HA CYS 10 HA CYS 10 0.950 0.130 2.900 61 1HB CYS 10 2HB CYS 10 1.894 -0.731 0.680 62 2HB CYS 10 1HB CYS 10 0.148 -0.761 0.871 63 H SER 11 H SER 11 3.332 -0.481 2.016 64 HA SER 11 HA SER 11 4.961 1.944 1.870 65 1HB SER 11 2HB SER 11 4.602 0.803 4.290 66 2HB SER 11 1HB SER 11 5.974 -0.144 3.716 67 HG SER 11 HG SER 11 5.890 2.691 3.703 68 H LEU 12 H LEU 12 7.245 1.465 1.339 69 HA LEU 12 HA LEU 12 7.351 -0.500 -0.754 70 1HB LEU 12 2HB LEU 12 9.791 0.325 -0.896 71 2HB LEU 12 1HB LEU 12 8.494 1.402 -1.366 72 HG LEU 12 HG LEU 12 8.686 2.625 0.717 73 1HD1 LEU 12 1HD1 LEU 12 10.837 1.949 2.092 74 2HD1 LEU 12 2HD1 LEU 12 10.444 0.350 1.461 75 3HD1 LEU 12 3HD1 LEU 12 9.262 1.233 2.428 76 1HD2 LEU 12 1HD2 LEU 12 10.144 3.244 -1.150 77 2HD2 LEU 12 2HD2 LEU 12 11.393 2.170 -0.521 78 3HD2 LEU 12 3HD2 LEU 12 10.891 3.579 0.412 79 H ASN 13 H ASN 13 8.220 -0.444 2.573 80 HA ASN 13 HA ASN 13 9.887 -2.832 2.222 81 1HB ASN 13 2HB ASN 13 10.701 -2.371 4.520 82 2HB ASN 13 1HB ASN 13 11.038 -1.058 3.396 83 1HD2 ASN 13 1HD2 ASN 13 11.268 0.302 5.232 84 2HD2 ASN 13 2HD2 ASN 13 9.875 0.942 6.030 85 H THR 14 H THR 14 6.762 -2.327 2.585 86 HA THR 14 HA THR 14 6.394 -4.268 4.754 87 HB THR 14 HB THR 14 4.046 -3.491 4.796 88 HG1 THR 14 1HG THR 14 3.538 -2.696 2.882 89 1HG2 THR 14 1HG2 THR 14 5.064 -2.244 6.376 90 2HG2 THR 14 2HG2 THR 14 4.658 -0.949 5.251 91 3HG2 THR 14 3HG2 THR 14 6.286 -1.627 5.264 92 H GLN 15 H GLN 15 4.058 -5.396 4.246 93 HA GLN 15 HA GLN 15 4.625 -7.244 2.174 94 1HB GLN 15 2HB GLN 15 2.004 -6.845 3.621 95 2HB GLN 15 1HB GLN 15 2.546 -8.295 2.794 96 1HG GLN 15 2HG GLN 15 4.252 -8.668 4.434 97 2HG GLN 15 1HG GLN 15 3.899 -7.125 5.209 98 1HE2 GLN 15 1HE2 GLN 15 3.892 -9.679 6.459 99 2HE2 GLN 15 2HE2 GLN 15 2.289 -9.975 7.027 100 HA PRO 16 HA PRO 16 2.703 -5.438 -1.375 101 1HB PRO 16 2HB PRO 16 1.415 -7.590 -2.485 102 2HB PRO 16 1HB PRO 16 3.151 -7.300 -2.628 103 1HG PRO 16 2HG PRO 16 1.681 -9.108 -0.752 104 2HG PRO 16 1HG PRO 16 3.184 -9.403 -1.644 105 1HD PRO 16 2HD PRO 16 3.191 -8.760 0.965 106 2HD PRO 16 1HD PRO 16 4.463 -8.196 -0.139 107 H CYS 17 H CYS 17 0.437 -5.552 -2.590 108 HA CYS 17 HA CYS 17 -1.529 -4.921 -0.546 109 1HB CYS 17 2HB CYS 17 -1.701 -4.576 -3.544 110 2HB CYS 17 1HB CYS 17 -2.826 -3.929 -2.354 111 H CYS 18 H CYS 18 -3.875 -5.457 -1.276 112 HA CYS 18 HA CYS 18 -3.979 -8.363 -1.664 113 1HB CYS 18 2HB CYS 18 -6.085 -6.515 -0.523 114 2HB CYS 18 1HB CYS 18 -6.143 -8.271 -0.542 115 H ASP 19 H ASP 19 -5.996 -9.167 -2.762 116 HA ASP 19 HA ASP 19 -7.184 -9.388 -4.693 117 1HB ASP 19 2HB ASP 19 -7.614 -6.466 -4.086 118 2HB ASP 19 1HB ASP 19 -8.418 -7.282 -5.423 119 H ASP 20 H ASP 20 -4.336 -8.844 -4.912 120 HA ASP 20 HA ASP 20 -2.779 -8.534 -6.531 121 1HB ASP 20 2HB ASP 20 -5.058 -8.164 -8.477 122 2HB ASP 20 1HB ASP 20 -3.418 -8.699 -8.829 123 H ALA 21 H ALA 21 -3.651 -6.311 -5.003 124 HA ALA 21 HA ALA 21 -3.887 -4.040 -6.771 125 1HB ALA 21 1HB ALA 21 -3.963 -4.486 -3.859 126 2HB ALA 21 2HB ALA 21 -4.951 -3.437 -4.874 127 3HB ALA 21 3HB ALA 21 -3.339 -2.922 -4.378 128 H THR 22 H THR 22 -2.338 -2.123 -6.210 129 HA THR 22 HA THR 22 0.423 -3.073 -5.975 130 HB THR 22 HB THR 22 -0.590 -1.218 -8.138 131 HG1 THR 22 1HG THR 22 -0.060 -2.910 -9.519 132 1HG2 THR 22 1HG2 THR 22 1.491 -0.689 -8.696 133 2HG2 THR 22 2HG2 THR 22 2.073 -2.335 -8.445 134 3HG2 THR 22 3HG2 THR 22 1.929 -1.232 -7.076 135 H CYS 23 H CYS 23 1.790 -1.697 -4.933 136 HA CYS 23 HA CYS 23 0.596 0.468 -3.457 137 1HB CYS 23 2HB CYS 23 2.425 -1.204 -2.675 138 2HB CYS 23 1HB CYS 23 3.542 -0.151 -3.534 139 H THR 24 H THR 24 0.286 2.393 -4.403 140 HA THR 24 HA THR 24 2.318 3.363 -6.293 141 HB THR 24 HB THR 24 -0.670 3.790 -6.241 142 HG1 THR 24 1HG THR 24 -0.430 2.096 -7.469 143 1HG2 THR 24 1HG2 THR 24 0.394 5.916 -6.837 144 2HG2 THR 24 2HG2 THR 24 -0.469 5.194 -8.195 145 3HG2 THR 24 3HG2 THR 24 1.290 5.096 -8.114 146 H GLN 25 H GLN 25 2.695 5.608 -6.374 147 HA GLN 25 HA GLN 25 2.871 6.846 -3.809 148 1HB GLN 25 2HB GLN 25 4.686 7.157 -5.344 149 2HB GLN 25 1HB GLN 25 3.603 7.727 -6.605 150 1HG GLN 25 2HG GLN 25 3.221 9.770 -5.470 151 2HG GLN 25 1HG GLN 25 4.030 9.187 -4.017 152 1HE2 GLN 25 1HE2 GLN 25 6.352 8.372 -4.544 153 2HE2 GLN 25 2HE2 GLN 25 7.309 9.466 -5.480 154 H GLU 26 H GLU 26 1.775 8.611 -3.062 155 HA GLU 26 HA GLU 26 -0.168 9.989 -4.689 156 1HB GLU 26 2HB GLU 26 -1.097 8.361 -2.319 157 2HB GLU 26 1HB GLU 26 -2.094 9.434 -3.289 158 1HG GLU 26 2HG GLU 26 -1.592 7.993 -5.263 159 2HG GLU 26 1HG GLU 26 -0.797 6.868 -4.164 160 H ARG 27 H ARG 27 -1.589 11.378 -2.981 161 HA ARG 27 HA ARG 27 0.380 12.633 -1.183 162 1HB ARG 27 2HB ARG 27 -1.754 13.840 -2.927 163 2HB ARG 27 1HB ARG 27 -1.067 14.722 -1.570 164 1HG ARG 27 2HG ARG 27 1.205 14.075 -2.719 165 2HG ARG 27 1HG ARG 27 0.181 13.931 -4.149 166 1HD ARG 27 2HD ARG 27 -0.694 16.285 -3.221 167 2HD ARG 27 1HD ARG 27 0.953 16.325 -2.591 168 HE ARG 27 HE ARG 27 1.672 16.744 -4.707 169 1HH1 ARG 27 1HH1 ARG 27 -1.449 15.179 -4.937 170 2HH1 ARG 27 2HH1 ARG 27 -1.526 15.321 -6.660 171 1HH2 ARG 27 1HH2 ARG 27 1.561 16.925 -6.971 172 2HH2 ARG 27 2HH2 ARG 27 0.178 16.309 -7.813 173 H ASN 28 H ASN 28 -0.365 13.492 0.798 174 HA ASN 28 HA ASN 28 -2.897 12.299 1.714 175 1HB ASN 28 2HB ASN 28 -1.939 12.240 3.951 176 2HB ASN 28 1HB ASN 28 -0.866 11.424 2.822 177 1HD2 ASN 28 1HD2 ASN 28 0.200 12.127 5.133 178 2HD2 ASN 28 2HD2 ASN 28 1.243 13.494 4.965 179 H GLU 29 H GLU 29 -3.373 13.621 4.007 180 HA GLU 29 HA GLU 29 -4.566 16.006 3.170 181 1HB GLU 29 2HB GLU 29 -3.930 14.913 5.906 182 2HB GLU 29 1HB GLU 29 -4.793 16.426 5.676 183 1HG GLU 29 2HG GLU 29 -6.684 15.403 4.940 184 2HG GLU 29 1HG GLU 29 -5.810 14.032 4.258 185 H ASN 30 H ASN 30 -1.562 15.437 4.966 186 HA ASN 30 HA ASN 30 -0.944 18.170 5.370 187 1HB ASN 30 2HB ASN 30 0.871 15.750 5.314 188 2HB ASN 30 1HB ASN 30 1.338 17.347 5.892 189 1HD2 ASN 30 1HD2 ASN 30 0.939 17.869 7.940 190 2HD2 ASN 30 2HD2 ASN 30 0.016 16.916 9.047 191 H GLY 31 H GLY 31 -0.421 15.968 2.712 192 1HA GLY 31 2HA GLY 31 -0.138 16.873 0.498 193 2HA GLY 31 1HA GLY 31 0.765 18.203 1.201 194 H HIS 32 H HIS 32 1.802 15.442 2.738 195 HA HIS 32 HA HIS 32 4.262 15.438 1.235 196 1HB HIS 32 2HB HIS 32 3.703 15.040 3.866 197 2HB HIS 32 1HB HIS 32 3.854 13.376 3.313 198 HD1 HIS 32 1HD HIS 32 5.829 16.477 3.917 199 HD2 HIS 32 2HD HIS 32 6.443 12.618 2.504 200 HE1 HIS 32 1HE HIS 32 8.324 16.169 3.869 201 HE2 HIS 32 2HE HIS 32 8.668 13.795 3.098 202 H THR 33 H THR 33 5.223 13.518 0.328 203 HA THR 33 HA THR 33 3.409 12.051 -1.281 204 HB THR 33 HB THR 33 6.342 11.527 -0.759 205 HG1 THR 33 1HG THR 33 6.623 12.720 -2.675 206 1HG2 THR 33 1HG2 THR 33 6.274 9.854 -2.201 207 2HG2 THR 33 2HG2 THR 33 5.452 10.859 -3.393 208 3HG2 THR 33 3HG2 THR 33 4.515 9.969 -2.195 209 H VAL 34 H VAL 34 2.415 10.186 -0.948 210 HA VAL 34 HA VAL 34 3.355 8.428 1.213 211 HB VAL 34 HB VAL 34 0.959 7.912 1.729 212 1HG1 VAL 34 1HG1 VAL 34 1.402 10.826 2.212 213 2HG1 VAL 34 2HG1 VAL 34 2.505 9.641 2.911 214 3HG1 VAL 34 3HG1 VAL 34 0.787 9.588 3.306 215 1HG2 VAL 34 1HG2 VAL 34 0.469 10.334 0.001 216 2HG2 VAL 34 2HG2 VAL 34 -0.730 9.596 1.062 217 3HG2 VAL 34 3HG2 VAL 34 -0.084 8.687 -0.304 218 H TYR 35 H TYR 35 2.132 6.245 1.043 219 HA TYR 35 HA TYR 35 1.908 5.504 -1.799 220 1HB TYR 35 2HB TYR 35 3.035 3.666 0.305 221 2HB TYR 35 1HB TYR 35 3.125 3.510 -1.444 222 HD1 TYR 35 1HD TYR 35 4.660 4.961 -2.740 223 HD2 TYR 35 2HD TYR 35 4.624 4.979 1.514 224 HE1 TYR 35 1HE TYR 35 6.854 6.072 -2.732 225 HE2 TYR 35 2HE TYR 35 6.818 6.090 1.534 226 HH TYR 35 HH TYR 35 8.111 7.644 -0.202 227 H TYR 36 H TYR 36 0.071 4.507 -2.338 228 HA TYR 36 HA TYR 36 -1.505 3.242 -0.195 229 1HB TYR 36 2HB TYR 36 -2.316 5.223 -2.265 230 2HB TYR 36 1HB TYR 36 -3.475 3.974 -1.824 231 HD1 TYR 36 1HD TYR 36 -1.369 6.687 -0.408 232 HD2 TYR 36 2HD TYR 36 -4.759 4.173 0.129 233 HE1 TYR 36 1HE TYR 36 -2.025 8.002 1.564 234 HE2 TYR 36 2HE TYR 36 -5.425 5.482 2.102 235 HH TYR 36 HH TYR 36 -3.414 7.563 3.691 236 H CYS 37 H CYS 37 -3.147 1.695 -1.019 237 HA CYS 37 HA CYS 37 -1.950 0.041 -3.132 238 1HB CYS 37 2HB CYS 37 -3.764 -0.557 -0.809 239 2HB CYS 37 1HB CYS 37 -3.654 -1.673 -2.159 240 H ARG 38 H ARG 38 -2.950 -0.374 -5.002 241 HA ARG 38 HA ARG 38 -5.758 0.439 -5.304 242 1HB ARG 38 2HB ARG 38 -3.530 0.950 -7.284 243 2HB ARG 38 1HB ARG 38 -5.231 1.309 -7.547 244 1HG ARG 38 2HG ARG 38 -3.627 2.511 -5.308 245 2HG ARG 38 1HG ARG 38 -3.787 3.257 -6.900 246 1HD ARG 38 2HD ARG 38 -6.368 2.810 -6.380 247 2HD ARG 38 1HD ARG 38 -5.775 2.958 -4.726 248 HE ARG 38 HE ARG 38 -4.786 5.089 -6.279 249 1HH1 ARG 38 1HH1 ARG 38 -7.774 3.950 -4.859 250 2HH1 ARG 38 2HH1 ARG 38 -8.448 5.538 -4.710 251 1HH2 ARG 38 1HH2 ARG 38 -5.678 7.170 -6.078 252 2HH2 ARG 38 2HH2 ARG 38 -7.261 7.364 -5.401 253 H ALA 39 H ALA 39 -7.005 -1.092 -6.123 254 HA ALA 39 HA ALA 39 -5.962 -3.638 -6.829 255 1HB ALA 39 1HB ALA 39 -8.033 -3.951 -5.981 256 2HB ALA 39 2HB ALA 39 -8.505 -3.807 -7.674 257 3HB ALA 39 3HB ALA 39 -8.637 -2.414 -6.600 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -4.879 -14.909 3.855 2 2H GLY 1 2HT GLY 1 -4.329 -14.834 5.452 3 3H GLY 1 3HT GLY 1 -4.059 -16.226 4.531 4 1HA GLY 1 1HA GLY 1 -2.033 -15.342 4.219 5 2HA GLY 1 2HA GLY 1 -2.878 -14.454 2.962 6 H SER 2 H SER 2 -1.176 -12.859 3.256 7 HA SER 2 HA SER 2 -1.953 -10.896 5.267 8 1HB SER 2 2HB SER 2 0.209 -10.602 6.183 9 2HB SER 2 1HB SER 2 -0.033 -12.348 6.151 10 HG SER 2 HG SER 2 1.150 -12.343 4.148 11 H CYS 3 H CYS 3 -2.468 -9.209 4.038 12 HA CYS 3 HA CYS 3 -0.475 -8.086 2.267 13 1HB CYS 3 2HB CYS 3 -2.037 -7.899 0.357 14 2HB CYS 3 1HB CYS 3 -1.648 -9.572 0.741 15 H VAL 4 H VAL 4 -1.271 -5.954 1.361 16 HA VAL 4 HA VAL 4 -2.529 -4.483 3.514 17 HB VAL 4 HB VAL 4 -1.238 -3.541 0.956 18 1HG1 VAL 4 1HG1 VAL 4 -1.158 -1.335 2.222 19 2HG1 VAL 4 2HG1 VAL 4 -2.373 -2.035 3.293 20 3HG1 VAL 4 3HG1 VAL 4 -2.723 -1.830 1.577 21 1HG2 VAL 4 1HG2 VAL 4 -0.241 -4.083 3.697 22 2HG2 VAL 4 2HG2 VAL 4 0.435 -2.708 2.824 23 3HG2 VAL 4 3HG2 VAL 4 0.543 -4.329 2.137 24 HA PRO 5 HA PRO 5 -6.461 -4.499 1.362 25 1HB PRO 5 2HB PRO 5 -7.210 -2.183 3.004 26 2HB PRO 5 1HB PRO 5 -7.911 -3.801 2.965 27 1HG PRO 5 2HG PRO 5 -6.452 -2.911 5.054 28 2HG PRO 5 1HG PRO 5 -6.468 -4.613 4.559 29 1HD PRO 5 2HD PRO 5 -4.403 -2.507 4.048 30 2HD PRO 5 1HD PRO 5 -4.192 -4.221 4.456 31 H VAL 6 H VAL 6 -7.157 -3.499 -0.453 32 HA VAL 6 HA VAL 6 -5.690 -1.459 -1.648 33 HB VAL 6 HB VAL 6 -8.512 -2.357 -2.254 34 1HG1 VAL 6 1HG1 VAL 6 -8.146 -0.198 -3.251 35 2HG1 VAL 6 2HG1 VAL 6 -8.070 -1.429 -4.511 36 3HG1 VAL 6 3HG1 VAL 6 -6.583 -0.715 -3.887 37 1HG2 VAL 6 1HG2 VAL 6 -5.819 -3.380 -2.903 38 2HG2 VAL 6 2HG2 VAL 6 -7.009 -3.398 -4.205 39 3HG2 VAL 6 3HG2 VAL 6 -7.341 -4.244 -2.693 40 H ASP 7 H ASP 7 -6.175 0.705 -2.035 41 HA ASP 7 HA ASP 7 -6.919 2.790 -1.616 42 1HB ASP 7 2HB ASP 7 -9.142 1.546 0.008 43 2HB ASP 7 1HB ASP 7 -9.075 3.181 -0.637 44 H GLN 8 H GLN 8 -5.496 0.744 0.467 45 HA GLN 8 HA GLN 8 -5.504 2.713 2.646 46 1HB GLN 8 2HB GLN 8 -4.739 -0.196 2.878 47 2HB GLN 8 1HB GLN 8 -4.957 0.955 4.188 48 1HG GLN 8 2HG GLN 8 -7.097 -0.137 2.379 49 2HG GLN 8 1HG GLN 8 -6.846 -0.524 4.081 50 1HE2 GLN 8 1HE2 GLN 8 -9.068 0.772 2.463 51 2HE2 GLN 8 2HE2 GLN 8 -9.449 2.202 3.355 52 HA PRO 9 HA PRO 9 -1.268 3.537 1.884 53 1HB PRO 9 2HB PRO 9 -0.228 3.746 4.408 54 2HB PRO 9 1HB PRO 9 -1.170 5.000 3.604 55 1HG PRO 9 2HG PRO 9 -2.027 2.995 5.643 56 2HG PRO 9 1HG PRO 9 -2.496 4.695 5.480 57 1HD PRO 9 2HD PRO 9 -4.089 2.655 4.696 58 2HD PRO 9 1HD PRO 9 -4.092 4.233 3.889 59 H CYS 10 H CYS 10 0.578 2.526 1.501 60 HA CYS 10 HA CYS 10 1.195 0.058 2.971 61 1HB CYS 10 2HB CYS 10 2.007 -0.886 0.754 62 2HB CYS 10 1HB CYS 10 0.266 -0.761 0.951 63 H SER 11 H SER 11 3.504 -0.687 2.029 64 HA SER 11 HA SER 11 5.272 1.634 1.829 65 1HB SER 11 2HB SER 11 5.147 -0.300 4.073 66 2HB SER 11 1HB SER 11 6.759 0.114 3.493 67 HG SER 11 HG SER 11 5.198 1.528 5.082 68 H LEU 12 H LEU 12 7.428 1.098 1.073 69 HA LEU 12 HA LEU 12 7.343 -0.931 -0.948 70 1HB LEU 12 2HB LEU 12 9.770 -0.179 -1.307 71 2HB LEU 12 1HB LEU 12 8.481 0.953 -1.657 72 HG LEU 12 HG LEU 12 8.912 2.170 0.382 73 1HD1 LEU 12 1HD1 LEU 12 11.058 1.417 1.659 74 2HD1 LEU 12 2HD1 LEU 12 10.658 -0.168 1.000 75 3HD1 LEU 12 3HD1 LEU 12 9.502 0.678 2.029 76 1HD2 LEU 12 1HD2 LEU 12 10.276 2.672 -1.603 77 2HD2 LEU 12 2HD2 LEU 12 11.509 1.559 -1.013 78 3HD2 LEU 12 3HD2 LEU 12 11.121 3.013 -0.092 79 H ASN 13 H ASN 13 8.339 -0.904 2.322 80 HA ASN 13 HA ASN 13 9.994 -3.291 1.896 81 1HB ASN 13 2HB ASN 13 9.952 -1.242 4.101 82 2HB ASN 13 1HB ASN 13 10.737 -2.805 4.301 83 1HD2 ASN 13 1HD2 ASN 13 11.825 -0.067 4.246 84 2HD2 ASN 13 2HD2 ASN 13 13.041 -0.079 3.020 85 H THR 14 H THR 14 6.887 -2.776 2.377 86 HA THR 14 HA THR 14 6.609 -4.776 4.512 87 HB THR 14 HB THR 14 4.287 -3.930 4.748 88 HG1 THR 14 1HG THR 14 4.153 -3.080 2.584 89 1HG2 THR 14 1HG2 THR 14 4.789 -1.732 5.706 90 2HG2 THR 14 2HG2 THR 14 6.395 -1.798 4.978 91 3HG2 THR 14 3HG2 THR 14 5.938 -2.969 6.216 92 H GLN 15 H GLN 15 4.230 -5.828 4.145 93 HA GLN 15 HA GLN 15 4.561 -7.605 1.986 94 1HB GLN 15 2HB GLN 15 2.112 -7.059 3.672 95 2HB GLN 15 1HB GLN 15 2.335 -8.451 2.624 96 1HG GLN 15 2HG GLN 15 4.156 -7.809 4.925 97 2HG GLN 15 1HG GLN 15 2.740 -8.851 5.063 98 1HE2 GLN 15 1HE2 GLN 15 2.692 -10.552 3.207 99 2HE2 GLN 15 2HE2 GLN 15 4.169 -11.421 2.988 100 HA PRO 16 HA PRO 16 2.609 -5.580 -1.422 101 1HB PRO 16 2HB PRO 16 1.199 -7.613 -2.583 102 2HB PRO 16 1HB PRO 16 2.948 -7.426 -2.734 103 1HG PRO 16 2HG PRO 16 1.383 -9.198 -0.899 104 2HG PRO 16 1HG PRO 16 2.849 -9.564 -1.827 105 1HD PRO 16 2HD PRO 16 2.936 -9.004 0.804 106 2HD PRO 16 1HD PRO 16 4.231 -8.503 -0.304 107 H CYS 17 H CYS 17 0.316 -5.555 -2.587 108 HA CYS 17 HA CYS 17 -1.577 -4.877 -0.488 109 1HB CYS 17 2HB CYS 17 -1.807 -4.473 -3.475 110 2HB CYS 17 1HB CYS 17 -2.856 -3.781 -2.241 111 H CYS 18 H CYS 18 -3.962 -5.273 -1.209 112 HA CYS 18 HA CYS 18 -4.224 -8.163 -1.640 113 1HB CYS 18 2HB CYS 18 -6.221 -6.230 -0.446 114 2HB CYS 18 1HB CYS 18 -6.359 -7.982 -0.483 115 H ASP 19 H ASP 19 -6.309 -8.830 -2.716 116 HA ASP 19 HA ASP 19 -7.531 -8.949 -4.636 117 1HB ASP 19 2HB ASP 19 -7.783 -6.040 -3.909 118 2HB ASP 19 1HB ASP 19 -8.585 -6.698 -5.332 119 H ASP 20 H ASP 20 -4.654 -8.573 -4.882 120 HA ASP 20 HA ASP 20 -3.101 -8.335 -6.519 121 1HB ASP 20 2HB ASP 20 -5.092 -9.341 -7.865 122 2HB ASP 20 1HB ASP 20 -5.252 -7.714 -8.521 123 H ALA 21 H ALA 21 -3.818 -6.091 -4.949 124 HA ALA 21 HA ALA 21 -3.941 -3.782 -6.679 125 1HB ALA 21 1HB ALA 21 -3.998 -4.266 -3.771 126 2HB ALA 21 2HB ALA 21 -4.957 -3.164 -4.756 127 3HB ALA 21 3HB ALA 21 -3.316 -2.725 -4.285 128 H THR 22 H THR 22 -2.284 -1.969 -6.130 129 HA THR 22 HA THR 22 0.422 -3.076 -5.933 130 HB THR 22 HB THR 22 -0.501 -1.122 -8.047 131 HG1 THR 22 1HG THR 22 -0.335 -2.770 -9.443 132 1HG2 THR 22 1HG2 THR 22 1.729 -0.562 -7.596 133 2HG2 THR 22 2HG2 THR 22 1.774 -1.606 -9.016 134 3HG2 THR 22 3HG2 THR 22 2.203 -2.254 -7.433 135 H CYS 23 H CYS 23 1.880 -1.796 -4.886 136 HA CYS 23 HA CYS 23 0.821 0.397 -3.350 137 1HB CYS 23 2HB CYS 23 2.559 -1.387 -2.622 138 2HB CYS 23 1HB CYS 23 3.727 -0.381 -3.471 139 H THR 24 H THR 24 0.614 2.360 -4.229 140 HA THR 24 HA THR 24 2.708 3.294 -6.071 141 HB THR 24 HB THR 24 -0.276 3.734 -6.153 142 HG1 THR 24 1HG THR 24 -0.048 2.106 -7.445 143 1HG2 THR 24 1HG2 THR 24 0.600 5.862 -6.724 144 2HG2 THR 24 2HG2 THR 24 0.161 5.053 -8.228 145 3HG2 THR 24 3HG2 THR 24 1.852 5.145 -7.737 146 H GLN 25 H GLN 25 3.092 5.539 -6.143 147 HA GLN 25 HA GLN 25 3.144 6.799 -3.570 148 1HB GLN 25 2HB GLN 25 5.037 7.053 -5.050 149 2HB GLN 25 1HB GLN 25 4.011 7.704 -6.321 150 1HG GLN 25 2HG GLN 25 3.720 9.725 -5.220 151 2HG GLN 25 1HG GLN 25 4.249 9.066 -3.675 152 1HE2 GLN 25 1HE2 GLN 25 6.577 7.996 -4.007 153 2HE2 GLN 25 2HE2 GLN 25 7.735 9.085 -4.685 154 H GLU 26 H GLU 26 1.734 8.234 -2.784 155 HA GLU 26 HA GLU 26 -0.031 9.689 -4.607 156 1HB GLU 26 2HB GLU 26 -1.026 8.106 -2.233 157 2HB GLU 26 1HB GLU 26 -2.004 9.155 -3.248 158 1HG GLU 26 2HG GLU 26 -1.406 7.686 -5.185 159 2HG GLU 26 1HG GLU 26 -0.666 6.581 -4.029 160 H ARG 27 H ARG 27 -1.564 11.092 -3.010 161 HA ARG 27 HA ARG 27 0.280 12.448 -1.151 162 1HB ARG 27 2HB ARG 27 -1.697 13.547 -3.124 163 2HB ARG 27 1HB ARG 27 -1.234 14.486 -1.713 164 1HG ARG 27 2HG ARG 27 1.199 13.789 -2.640 165 2HG ARG 27 1HG ARG 27 0.286 13.848 -4.148 166 1HD ARG 27 2HD ARG 27 -0.554 16.122 -3.342 167 2HD ARG 27 1HD ARG 27 0.735 16.039 -2.142 168 HE ARG 27 HE ARG 27 1.871 15.535 -4.633 169 1HH1 ARG 27 1HH1 ARG 27 0.292 18.182 -2.979 170 2HH1 ARG 27 2HH1 ARG 27 1.145 19.401 -3.863 171 1HH2 ARG 27 1HH2 ARG 27 2.988 17.142 -5.789 172 2HH2 ARG 27 2HH2 ARG 27 2.672 18.813 -5.456 173 H ASN 28 H ASN 28 -0.466 13.028 0.843 174 HA ASN 28 HA ASN 28 -3.015 11.851 1.637 175 1HB ASN 28 2HB ASN 28 -2.221 12.110 3.926 176 2HB ASN 28 1HB ASN 28 -0.990 11.322 2.948 177 1HD2 ASN 28 1HD2 ASN 28 -0.127 12.319 5.211 178 2HD2 ASN 28 2HD2 ASN 28 0.755 13.786 4.981 179 H GLU 29 H GLU 29 -3.835 13.279 3.739 180 HA GLU 29 HA GLU 29 -5.150 15.479 2.584 181 1HB GLU 29 2HB GLU 29 -4.778 14.935 5.531 182 2HB GLU 29 1HB GLU 29 -6.056 15.878 4.781 183 1HG GLU 29 2HG GLU 29 -5.824 13.097 3.858 184 2HG GLU 29 1HG GLU 29 -6.317 13.313 5.537 185 H ASN 30 H ASN 30 -2.200 15.194 4.440 186 HA ASN 30 HA ASN 30 -1.922 17.987 4.978 187 1HB ASN 30 2HB ASN 30 0.027 15.683 5.089 188 2HB ASN 30 1HB ASN 30 0.462 17.332 5.529 189 1HD2 ASN 30 1HD2 ASN 30 -0.566 18.293 7.333 190 2HD2 ASN 30 2HD2 ASN 30 -1.251 17.319 8.585 191 H GLY 31 H GLY 31 -1.026 15.866 2.354 192 1HA GLY 31 2HA GLY 31 -0.692 16.792 0.161 193 2HA GLY 31 1HA GLY 31 0.000 18.220 0.911 194 H HIS 32 H HIS 32 1.107 15.345 2.356 195 HA HIS 32 HA HIS 32 3.687 15.677 1.026 196 1HB HIS 32 2HB HIS 32 3.655 15.682 3.486 197 2HB HIS 32 1HB HIS 32 2.938 14.075 3.483 198 HD1 HIS 32 1HD HIS 32 4.498 12.101 3.221 199 HD2 HIS 32 2HD HIS 32 6.394 15.756 2.660 200 HE1 HIS 32 1HE HIS 32 6.956 11.577 3.133 201 HE2 HIS 32 2HE HIS 32 8.087 13.814 2.881 202 H THR 33 H THR 33 4.881 13.809 0.280 203 HA THR 33 HA THR 33 3.286 12.066 -1.284 204 HB THR 33 HB THR 33 6.228 11.816 -0.633 205 HG1 THR 33 1HG THR 33 6.556 13.059 -2.450 206 1HG2 THR 33 1HG2 THR 33 6.482 10.482 -2.515 207 2HG2 THR 33 2HG2 THR 33 4.903 10.927 -3.161 208 3HG2 THR 33 3HG2 THR 33 5.013 9.861 -1.762 209 H VAL 34 H VAL 34 2.664 10.006 -0.991 210 HA VAL 34 HA VAL 34 3.670 8.492 1.296 211 HB VAL 34 HB VAL 34 1.285 7.838 1.866 212 1HG1 VAL 34 1HG1 VAL 34 2.234 10.654 2.368 213 2HG1 VAL 34 2HG1 VAL 34 2.548 9.228 3.356 214 3HG1 VAL 34 3HG1 VAL 34 0.913 9.879 3.242 215 1HG2 VAL 34 1HG2 VAL 34 0.755 10.199 0.085 216 2HG2 VAL 34 2HG2 VAL 34 -0.382 9.690 1.331 217 3HG2 VAL 34 3HG2 VAL 34 0.039 8.589 0.019 218 H TYR 35 H TYR 35 2.547 6.250 1.277 219 HA TYR 35 HA TYR 35 2.425 5.327 -1.522 220 1HB TYR 35 2HB TYR 35 3.672 4.113 0.926 221 2HB TYR 35 1HB TYR 35 3.169 3.090 -0.413 222 HD1 TYR 35 1HD TYR 35 4.937 6.376 -0.124 223 HD2 TYR 35 2HD TYR 35 4.937 2.441 -1.737 224 HE1 TYR 35 1HE TYR 35 7.055 6.855 -1.279 225 HE2 TYR 35 2HE TYR 35 7.054 2.908 -2.896 226 HH TYR 35 HH TYR 35 9.033 5.429 -2.163 227 H TYR 36 H TYR 36 0.545 4.445 -2.144 228 HA TYR 36 HA TYR 36 -1.196 3.298 -0.062 229 1HB TYR 36 2HB TYR 36 -1.765 5.435 -2.013 230 2HB TYR 36 1HB TYR 36 -3.011 4.201 -1.871 231 HD1 TYR 36 1HD TYR 36 -0.791 6.035 0.524 232 HD2 TYR 36 2HD TYR 36 -4.741 4.823 -0.491 233 HE1 TYR 36 1HE TYR 36 -1.644 7.138 2.549 234 HE2 TYR 36 2HE TYR 36 -5.604 5.923 1.531 235 HH TYR 36 HH TYR 36 -3.715 8.059 3.412 236 H CYS 37 H CYS 37 -2.870 1.846 -0.908 237 HA CYS 37 HA CYS 37 -1.764 0.157 -3.044 238 1HB CYS 37 2HB CYS 37 -3.600 -0.374 -0.724 239 2HB CYS 37 1HB CYS 37 -3.548 -1.478 -2.087 240 H ARG 38 H ARG 38 -2.801 -0.193 -4.913 241 HA ARG 38 HA ARG 38 -5.561 0.785 -5.183 242 1HB ARG 38 2HB ARG 38 -3.338 1.171 -7.198 243 2HB ARG 38 1HB ARG 38 -5.015 1.658 -7.410 244 1HG ARG 38 2HG ARG 38 -3.230 2.711 -5.231 245 2HG ARG 38 1HG ARG 38 -3.459 3.502 -6.792 246 1HD ARG 38 2HD ARG 38 -6.015 3.203 -6.121 247 2HD ARG 38 1HD ARG 38 -5.324 3.231 -4.499 248 HE ARG 38 HE ARG 38 -4.294 5.373 -6.020 249 1HH1 ARG 38 1HH1 ARG 38 -7.235 4.353 -4.425 250 2HH1 ARG 38 2HH1 ARG 38 -7.786 5.970 -4.145 251 1HH2 ARG 38 1HH2 ARG 38 -5.024 7.493 -5.648 252 2HH2 ARG 38 2HH2 ARG 38 -6.533 7.750 -4.837 253 H ALA 39 H ALA 39 -6.903 -0.658 -6.006 254 HA ALA 39 HA ALA 39 -6.019 -3.255 -6.746 255 1HB ALA 39 1HB ALA 39 -8.092 -3.469 -5.879 256 2HB ALA 39 2HB ALA 39 -8.584 -3.257 -7.560 257 3HB ALA 39 3HB ALA 39 -8.613 -1.885 -6.452 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -3.878 -15.075 5.575 2 2H GLY 1 2HT GLY 1 -2.406 -15.863 5.302 3 3H GLY 1 3HT GLY 1 -3.766 -16.267 4.379 4 1HA GLY 1 1HA GLY 1 -2.033 -14.789 3.287 5 2HA GLY 1 2HA GLY 1 -3.718 -14.307 3.164 6 H SER 2 H SER 2 -0.843 -13.012 3.465 7 HA SER 2 HA SER 2 -1.766 -10.891 5.292 8 1HB SER 2 2HB SER 2 0.761 -10.502 5.663 9 2HB SER 2 1HB SER 2 0.012 -11.879 6.471 10 HG SER 2 HG SER 2 1.476 -13.015 5.495 11 H CYS 3 H CYS 3 -2.345 -9.238 4.038 12 HA CYS 3 HA CYS 3 -0.388 -8.085 2.243 13 1HB CYS 3 2HB CYS 3 -1.965 -7.946 0.343 14 2HB CYS 3 1HB CYS 3 -1.547 -9.609 0.740 15 H VAL 4 H VAL 4 -1.234 -5.975 1.332 16 HA VAL 4 HA VAL 4 -2.512 -4.519 3.487 17 HB VAL 4 HB VAL 4 -1.231 -3.562 0.928 18 1HG1 VAL 4 1HG1 VAL 4 -1.201 -1.347 2.162 19 2HG1 VAL 4 2HG1 VAL 4 -2.381 -2.059 3.261 20 3HG1 VAL 4 3HG1 VAL 4 -2.764 -1.885 1.549 21 1HG2 VAL 4 1HG2 VAL 4 0.489 -4.443 2.220 22 2HG2 VAL 4 2HG2 VAL 4 -0.241 -3.902 3.732 23 3HG2 VAL 4 3HG2 VAL 4 0.497 -2.729 2.641 24 HA PRO 5 HA PRO 5 -6.442 -4.606 1.334 25 1HB PRO 5 2HB PRO 5 -7.229 -2.298 2.970 26 2HB PRO 5 1HB PRO 5 -7.904 -3.927 2.936 27 1HG PRO 5 2HG PRO 5 -6.460 -3.008 5.022 28 2HG PRO 5 1HG PRO 5 -6.445 -4.711 4.528 29 1HD PRO 5 2HD PRO 5 -4.419 -2.569 4.013 30 2HD PRO 5 1HD PRO 5 -4.176 -4.278 4.426 31 H VAL 6 H VAL 6 -7.176 -3.620 -0.472 32 HA VAL 6 HA VAL 6 -5.745 -1.562 -1.687 33 HB VAL 6 HB VAL 6 -8.557 -2.505 -2.271 34 1HG1 VAL 6 1HG1 VAL 6 -8.428 -0.482 -3.403 35 2HG1 VAL 6 2HG1 VAL 6 -7.882 -1.643 -4.613 36 3HG1 VAL 6 3HG1 VAL 6 -6.705 -0.666 -3.734 37 1HG2 VAL 6 1HG2 VAL 6 -5.843 -3.467 -2.982 38 2HG2 VAL 6 2HG2 VAL 6 -7.105 -3.573 -4.210 39 3HG2 VAL 6 3HG2 VAL 6 -7.318 -4.377 -2.654 40 H ASP 7 H ASP 7 -6.271 0.591 -2.081 41 HA ASP 7 HA ASP 7 -7.041 2.666 -1.661 42 1HB ASP 7 2HB ASP 7 -9.246 1.389 -0.038 43 2HB ASP 7 1HB ASP 7 -9.202 3.026 -0.678 44 H GLN 8 H GLN 8 -5.575 0.653 0.418 45 HA GLN 8 HA GLN 8 -5.626 2.619 2.598 46 1HB GLN 8 2HB GLN 8 -4.814 -0.279 2.820 47 2HB GLN 8 1HB GLN 8 -5.029 0.866 4.137 48 1HG GLN 8 2HG GLN 8 -7.182 -0.231 2.346 49 2HG GLN 8 1HG GLN 8 -6.901 -0.642 4.037 50 1HE2 GLN 8 1HE2 GLN 8 -7.217 1.023 5.625 51 2HE2 GLN 8 2HE2 GLN 8 -8.351 2.291 5.327 52 HA PRO 9 HA PRO 9 -1.404 3.532 1.846 53 1HB PRO 9 2HB PRO 9 -0.379 3.758 4.374 54 2HB PRO 9 1HB PRO 9 -1.342 4.996 3.569 55 1HG PRO 9 2HG PRO 9 -2.169 2.970 5.600 56 2HG PRO 9 1HG PRO 9 -2.669 4.661 5.440 57 1HD PRO 9 2HD PRO 9 -4.222 2.596 4.645 58 2HD PRO 9 1HD PRO 9 -4.248 4.175 3.840 59 H CYS 10 H CYS 10 0.461 2.551 1.471 60 HA CYS 10 HA CYS 10 1.102 0.087 2.936 61 1HB CYS 10 2HB CYS 10 1.969 -0.817 0.719 62 2HB CYS 10 1HB CYS 10 0.223 -0.739 0.902 63 H SER 11 H SER 11 3.437 -0.612 2.035 64 HA SER 11 HA SER 11 5.168 1.735 1.855 65 1HB SER 11 2HB SER 11 6.115 -0.365 3.717 66 2HB SER 11 1HB SER 11 6.287 1.388 3.807 67 HG SER 11 HG SER 11 4.262 1.546 4.655 68 H LEU 12 H LEU 12 7.385 1.192 1.228 69 HA LEU 12 HA LEU 12 7.388 -0.855 -0.784 70 1HB LEU 12 2HB LEU 12 9.817 -0.071 -1.068 71 2HB LEU 12 1HB LEU 12 8.522 1.033 -1.484 72 HG LEU 12 HG LEU 12 8.857 2.294 0.541 73 1HD1 LEU 12 1HD1 LEU 12 10.940 1.599 1.937 74 2HD1 LEU 12 2HD1 LEU 12 10.614 -0.003 1.277 75 3HD1 LEU 12 3HD1 LEU 12 9.385 0.823 2.233 76 1HD2 LEU 12 1HD2 LEU 12 10.278 2.877 -1.323 77 2HD2 LEU 12 2HD2 LEU 12 11.465 1.669 -0.830 78 3HD2 LEU 12 3HD2 LEU 12 11.160 3.074 0.191 79 H ASN 13 H ASN 13 8.250 -0.784 2.520 80 HA ASN 13 HA ASN 13 9.976 -3.134 2.185 81 1HB ASN 13 2HB ASN 13 9.749 -1.138 4.437 82 2HB ASN 13 1HB ASN 13 10.649 -2.644 4.578 83 1HD2 ASN 13 1HD2 ASN 13 11.954 -2.900 2.286 84 2HD2 ASN 13 2HD2 ASN 13 13.019 -1.569 2.012 85 H THR 14 H THR 14 6.835 -2.695 2.515 86 HA THR 14 HA THR 14 6.511 -4.703 4.638 87 HB THR 14 HB THR 14 4.219 -3.904 4.883 88 HG1 THR 14 1HG THR 14 4.886 -2.001 2.889 89 1HG2 THR 14 1HG2 THR 14 4.720 -1.424 5.401 90 2HG2 THR 14 2HG2 THR 14 6.389 -1.865 5.040 91 3HG2 THR 14 3HG2 THR 14 5.520 -2.686 6.338 92 H GLN 15 H GLN 15 4.144 -5.770 4.169 93 HA GLN 15 HA GLN 15 4.598 -7.536 2.007 94 1HB GLN 15 2HB GLN 15 1.994 -7.141 3.480 95 2HB GLN 15 1HB GLN 15 2.552 -8.588 2.659 96 1HG GLN 15 2HG GLN 15 4.537 -8.264 4.445 97 2HG GLN 15 1HG GLN 15 3.184 -7.571 5.340 98 1HE2 GLN 15 1HE2 GLN 15 3.334 -9.295 6.824 99 2HE2 GLN 15 2HE2 GLN 15 2.707 -10.860 6.443 100 HA PRO 16 HA PRO 16 2.647 -5.538 -1.416 101 1HB PRO 16 2HB PRO 16 1.281 -7.597 -2.597 102 2HB PRO 16 1HB PRO 16 3.025 -7.360 -2.747 103 1HG PRO 16 2HG PRO 16 1.511 -9.192 -0.929 104 2HG PRO 16 1HG PRO 16 2.992 -9.504 -1.856 105 1HD PRO 16 2HD PRO 16 3.054 -8.968 0.778 106 2HD PRO 16 1HD PRO 16 4.333 -8.411 -0.319 107 H CYS 17 H CYS 17 0.365 -5.539 -2.599 108 HA CYS 17 HA CYS 17 -1.550 -4.899 -0.513 109 1HB CYS 17 2HB CYS 17 -1.779 -4.521 -3.504 110 2HB CYS 17 1HB CYS 17 -2.849 -3.846 -2.280 111 H CYS 18 H CYS 18 -3.924 -5.351 -1.234 112 HA CYS 18 HA CYS 18 -4.124 -8.251 -1.636 113 1HB CYS 18 2HB CYS 18 -6.160 -6.344 -0.467 114 2HB CYS 18 1HB CYS 18 -6.273 -8.097 -0.494 115 H ASP 19 H ASP 19 -6.178 -8.979 -2.724 116 HA ASP 19 HA ASP 19 -7.391 -9.141 -4.647 117 1HB ASP 19 2HB ASP 19 -7.721 -6.251 -3.901 118 2HB ASP 19 1HB ASP 19 -8.450 -6.880 -5.376 119 H ASP 20 H ASP 20 -4.516 -8.695 -4.867 120 HA ASP 20 HA ASP 20 -2.954 -8.442 -6.491 121 1HB ASP 20 2HB ASP 20 -5.109 -9.367 -7.834 122 2HB ASP 20 1HB ASP 20 -4.891 -7.819 -8.643 123 H ALA 21 H ALA 21 -3.751 -6.193 -4.959 124 HA ALA 21 HA ALA 21 -3.911 -3.912 -6.721 125 1HB ALA 21 1HB ALA 21 -3.982 -4.361 -3.808 126 2HB ALA 21 2HB ALA 21 -4.942 -3.277 -4.812 127 3HB ALA 21 3HB ALA 21 -3.310 -2.818 -4.329 128 H THR 22 H THR 22 -2.287 -2.048 -6.106 129 HA THR 22 HA THR 22 0.437 -3.098 -5.905 130 HB THR 22 HB THR 22 -0.522 -1.212 -8.066 131 HG1 THR 22 1HG THR 22 -1.053 -3.336 -8.548 132 1HG2 THR 22 1HG2 THR 22 1.625 -0.500 -7.837 133 2HG2 THR 22 2HG2 THR 22 1.861 -1.856 -8.941 134 3HG2 THR 22 3HG2 THR 22 2.193 -2.052 -7.220 135 H CYS 23 H CYS 23 1.860 -1.768 -4.875 136 HA CYS 23 HA CYS 23 0.748 0.417 -3.368 137 1HB CYS 23 2HB CYS 23 2.545 -1.309 -2.630 138 2HB CYS 23 1HB CYS 23 3.675 -0.277 -3.498 139 H THR 24 H THR 24 0.474 2.358 -4.280 140 HA THR 24 HA THR 24 2.519 3.320 -6.160 141 HB THR 24 HB THR 24 -0.474 3.712 -6.180 142 HG1 THR 24 1HG THR 24 -0.352 2.220 -7.620 143 1HG2 THR 24 1HG2 THR 24 0.586 5.856 -6.736 144 2HG2 THR 24 2HG2 THR 24 -0.254 5.136 -8.110 145 3HG2 THR 24 3HG2 THR 24 1.505 5.051 -8.009 146 H GLN 25 H GLN 25 2.866 5.570 -6.252 147 HA GLN 25 HA GLN 25 2.961 6.835 -3.683 148 1HB GLN 25 2HB GLN 25 4.824 7.112 -5.186 149 2HB GLN 25 1HB GLN 25 3.774 7.723 -6.455 150 1HG GLN 25 2HG GLN 25 3.437 9.755 -5.352 151 2HG GLN 25 1HG GLN 25 4.070 9.130 -3.833 152 1HE2 GLN 25 1HE2 GLN 25 4.759 11.261 -6.073 153 2HE2 GLN 25 2HE2 GLN 25 6.484 11.158 -6.135 154 H GLU 26 H GLU 26 1.597 8.317 -2.884 155 HA GLU 26 HA GLU 26 -0.228 9.737 -4.665 156 1HB GLU 26 2HB GLU 26 -1.174 8.159 -2.268 157 2HB GLU 26 1HB GLU 26 -2.174 9.200 -3.271 158 1HG GLU 26 2HG GLU 26 -1.614 7.726 -5.211 159 2HG GLU 26 1HG GLU 26 -0.840 6.629 -4.069 160 H ARG 27 H ARG 27 -1.730 11.143 -3.038 161 HA ARG 27 HA ARG 27 0.175 12.555 -1.292 162 1HB ARG 27 2HB ARG 27 -2.140 13.593 -2.927 163 2HB ARG 27 1HB ARG 27 -1.300 14.556 -1.721 164 1HG ARG 27 2HG ARG 27 0.374 13.259 -3.780 165 2HG ARG 27 1HG ARG 27 -0.666 14.582 -4.310 166 1HD ARG 27 2HD ARG 27 0.423 16.139 -3.011 167 2HD ARG 27 1HD ARG 27 0.991 14.934 -1.857 168 HE ARG 27 HE ARG 27 2.327 14.267 -4.092 169 1HH1 ARG 27 1HH1 ARG 27 1.923 17.323 -2.439 170 2HH1 ARG 27 2HH1 ARG 27 3.456 17.941 -2.955 171 1HH2 ARG 27 1HH2 ARG 27 4.338 15.087 -4.764 172 2HH2 ARG 27 2HH2 ARG 27 4.825 16.674 -4.272 173 H ASN 28 H ASN 28 -0.557 13.370 0.698 174 HA ASN 28 HA ASN 28 -2.986 12.045 1.700 175 1HB ASN 28 2HB ASN 28 -1.983 12.204 3.928 176 2HB ASN 28 1HB ASN 28 -0.905 11.367 2.817 177 1HD2 ASN 28 1HD2 ASN 28 0.193 12.284 5.040 178 2HD2 ASN 28 2HD2 ASN 28 1.155 13.688 4.742 179 H GLU 29 H GLU 29 -3.595 13.388 3.911 180 HA GLU 29 HA GLU 29 -4.897 15.696 2.973 181 1HB GLU 29 2HB GLU 29 -4.347 15.003 5.859 182 2HB GLU 29 1HB GLU 29 -5.658 15.988 5.229 183 1HG GLU 29 2HG GLU 29 -5.580 13.292 4.118 184 2HG GLU 29 1HG GLU 29 -5.821 13.340 5.863 185 H ASN 30 H ASN 30 -1.820 15.207 4.553 186 HA ASN 30 HA ASN 30 -1.422 17.970 5.214 187 1HB ASN 30 2HB ASN 30 0.409 15.572 5.175 188 2HB ASN 30 1HB ASN 30 0.972 17.186 5.597 189 1HD2 ASN 30 1HD2 ASN 30 1.509 16.489 7.674 190 2HD2 ASN 30 2HD2 ASN 30 0.303 16.208 8.879 191 H GLY 31 H GLY 31 -0.731 15.916 2.477 192 1HA GLY 31 2HA GLY 31 -0.468 16.930 0.307 193 2HA GLY 31 1HA GLY 31 0.347 18.277 1.082 194 H HIS 32 H HIS 32 1.520 15.522 2.523 195 HA HIS 32 HA HIS 32 3.970 15.686 0.983 196 1HB HIS 32 2HB HIS 32 3.730 15.511 3.576 197 2HB HIS 32 1HB HIS 32 3.535 13.789 3.269 198 HD1 HIS 32 1HD HIS 32 5.719 12.902 4.111 199 HD2 HIS 32 2HD HIS 32 6.201 16.101 1.503 200 HE1 HIS 32 1HE HIS 32 8.193 13.055 3.685 201 HE2 HIS 32 2HE HIS 32 8.468 15.046 2.165 202 H THR 33 H THR 33 5.057 13.764 0.178 203 HA THR 33 HA THR 33 3.328 12.149 -1.379 204 HB THR 33 HB THR 33 6.269 11.743 -0.806 205 HG1 THR 33 1HG THR 33 6.653 13.197 -2.292 206 1HG2 THR 33 1HG2 THR 33 6.408 10.445 -2.748 207 2HG2 THR 33 2HG2 THR 33 4.786 10.900 -3.269 208 3HG2 THR 33 3HG2 THR 33 4.999 9.829 -1.884 209 H VAL 34 H VAL 34 2.487 10.196 -1.036 210 HA VAL 34 HA VAL 34 3.460 8.596 1.226 211 HB VAL 34 HB VAL 34 1.062 7.986 1.718 212 1HG1 VAL 34 1HG1 VAL 34 1.991 10.816 2.178 213 2HG1 VAL 34 2HG1 VAL 34 2.248 9.420 3.225 214 3HG1 VAL 34 3HG1 VAL 34 0.624 10.074 3.010 215 1HG2 VAL 34 1HG2 VAL 34 0.453 10.484 0.141 216 2HG2 VAL 34 2HG2 VAL 34 -0.699 9.456 0.994 217 3HG2 VAL 34 3HG2 VAL 34 0.148 8.842 -0.427 218 H TYR 35 H TYR 35 2.289 6.374 1.157 219 HA TYR 35 HA TYR 35 2.177 5.466 -1.646 220 1HB TYR 35 2HB TYR 35 3.398 4.050 0.731 221 2HB TYR 35 1HB TYR 35 3.179 3.327 -0.858 222 HD1 TYR 35 1HD TYR 35 4.500 4.135 -2.782 223 HD2 TYR 35 2HD TYR 35 5.177 5.595 1.157 224 HE1 TYR 35 1HE TYR 35 6.678 5.029 -3.494 225 HE2 TYR 35 2HE TYR 35 7.357 6.493 0.455 226 HH TYR 35 HH TYR 35 8.868 5.628 -2.404 227 H TYR 36 H TYR 36 0.340 4.470 -2.208 228 HA TYR 36 HA TYR 36 -1.278 3.238 -0.081 229 1HB TYR 36 2HB TYR 36 -2.048 5.320 -2.052 230 2HB TYR 36 1HB TYR 36 -3.232 4.062 -1.712 231 HD1 TYR 36 1HD TYR 36 -0.904 6.289 0.194 232 HD2 TYR 36 2HD TYR 36 -4.765 4.521 -0.057 233 HE1 TYR 36 1HE TYR 36 -1.578 7.486 2.233 234 HE2 TYR 36 2HE TYR 36 -5.451 5.714 1.981 235 HH TYR 36 HH TYR 36 -4.604 7.996 3.154 236 H CYS 37 H CYS 37 -2.970 1.774 -0.930 237 HA CYS 37 HA CYS 37 -1.838 0.119 -3.079 238 1HB CYS 37 2HB CYS 37 -3.666 -0.455 -0.761 239 2HB CYS 37 1HB CYS 37 -3.587 -1.554 -2.128 240 H ARG 38 H ARG 38 -2.856 -0.227 -4.950 241 HA ARG 38 HA ARG 38 -5.647 0.651 -5.219 242 1HB ARG 38 2HB ARG 38 -3.393 1.244 -7.146 243 2HB ARG 38 1HB ARG 38 -5.092 1.583 -7.447 244 1HG ARG 38 2HG ARG 38 -3.701 2.715 -5.053 245 2HG ARG 38 1HG ARG 38 -3.575 3.488 -6.635 246 1HD ARG 38 2HD ARG 38 -6.242 3.100 -6.489 247 2HD ARG 38 1HD ARG 38 -5.859 3.313 -4.781 248 HE ARG 38 HE ARG 38 -4.608 5.339 -6.280 249 1HH1 ARG 38 1HH1 ARG 38 -7.797 4.352 -5.233 250 2HH1 ARG 38 2HH1 ARG 38 -8.432 5.961 -5.250 251 1HH2 ARG 38 1HH2 ARG 38 -5.451 7.451 -6.298 252 2HH2 ARG 38 2HH2 ARG 38 -7.104 7.718 -5.855 253 H ALA 39 H ALA 39 -6.917 -0.798 -6.148 254 HA ALA 39 HA ALA 39 -5.904 -3.333 -6.958 255 1HB ALA 39 1HB ALA 39 -8.000 -3.475 -5.993 256 2HB ALA 39 2HB ALA 39 -8.373 -3.620 -7.711 257 3HB ALA 39 3HB ALA 39 -8.618 -2.083 -6.881 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -3.253 -16.375 4.172 2 2H GLY 1 2HT GLY 1 -3.862 -15.133 5.145 3 3H GLY 1 3HT GLY 1 -2.627 -16.132 5.725 4 1HA GLY 1 1HA GLY 1 -1.002 -15.096 4.562 5 2HA GLY 1 2HA GLY 1 -2.097 -14.683 3.251 6 H SER 2 H SER 2 -0.467 -12.738 3.922 7 HA SER 2 HA SER 2 -2.199 -10.853 5.355 8 1HB SER 2 2HB SER 2 -0.260 -11.718 6.795 9 2HB SER 2 1HB SER 2 0.794 -10.809 5.712 10 HG SER 2 HG SER 2 -1.218 -9.841 7.441 11 H CYS 3 H CYS 3 -2.531 -9.031 4.254 12 HA CYS 3 HA CYS 3 -0.504 -7.957 2.491 13 1HB CYS 3 2HB CYS 3 -2.014 -7.856 0.535 14 2HB CYS 3 1HB CYS 3 -1.626 -9.510 0.990 15 H VAL 4 H VAL 4 -1.292 -5.864 1.489 16 HA VAL 4 HA VAL 4 -2.606 -4.328 3.560 17 HB VAL 4 HB VAL 4 -1.287 -3.456 0.990 18 1HG1 VAL 4 1HG1 VAL 4 -1.239 -1.217 2.187 19 2HG1 VAL 4 2HG1 VAL 4 -2.452 -1.893 3.274 20 3HG1 VAL 4 3HG1 VAL 4 -2.797 -1.745 1.551 21 1HG2 VAL 4 1HG2 VAL 4 0.336 -4.426 2.430 22 2HG2 VAL 4 2HG2 VAL 4 -0.315 -3.582 3.835 23 3HG2 VAL 4 3HG2 VAL 4 0.505 -2.676 2.563 24 HA PRO 5 HA PRO 5 -6.498 -4.472 1.343 25 1HB PRO 5 2HB PRO 5 -7.316 -2.128 2.911 26 2HB PRO 5 1HB PRO 5 -7.985 -3.760 2.908 27 1HG PRO 5 2HG PRO 5 -6.573 -2.779 4.991 28 2HG PRO 5 1HG PRO 5 -6.552 -4.495 4.547 29 1HD PRO 5 2HD PRO 5 -4.517 -2.369 4.003 30 2HD PRO 5 1HD PRO 5 -4.281 -4.066 4.465 31 H VAL 6 H VAL 6 -7.199 -3.524 -0.503 32 HA VAL 6 HA VAL 6 -5.745 -1.489 -1.729 33 HB VAL 6 HB VAL 6 -8.546 -2.444 -2.350 34 1HG1 VAL 6 1HG1 VAL 6 -8.142 -0.280 -3.375 35 2HG1 VAL 6 2HG1 VAL 6 -8.137 -1.548 -4.602 36 3HG1 VAL 6 3HG1 VAL 6 -6.613 -0.860 -4.039 37 1HG2 VAL 6 1HG2 VAL 6 -5.826 -3.433 -2.960 38 2HG2 VAL 6 2HG2 VAL 6 -7.024 -3.522 -4.251 39 3HG2 VAL 6 3HG2 VAL 6 -7.327 -4.324 -2.710 40 H ASP 7 H ASP 7 -6.258 0.656 -2.167 41 HA ASP 7 HA ASP 7 -7.044 2.738 -1.804 42 1HB ASP 7 2HB ASP 7 -9.256 1.502 -0.163 43 2HB ASP 7 1HB ASP 7 -9.213 3.116 -0.858 44 H GLN 8 H GLN 8 -5.609 0.761 0.337 45 HA GLN 8 HA GLN 8 -5.658 2.778 2.469 46 1HB GLN 8 2HB GLN 8 -4.859 -0.116 2.771 47 2HB GLN 8 1HB GLN 8 -5.104 1.061 4.054 48 1HG GLN 8 2HG GLN 8 -7.219 -0.082 2.246 49 2HG GLN 8 1HG GLN 8 -6.972 -0.456 3.952 50 1HE2 GLN 8 1HE2 GLN 8 -7.788 0.876 5.482 51 2HE2 GLN 8 2HE2 GLN 8 -8.734 2.280 5.139 52 HA PRO 9 HA PRO 9 -1.422 3.628 1.719 53 1HB PRO 9 2HB PRO 9 -0.407 3.925 4.240 54 2HB PRO 9 1HB PRO 9 -1.367 5.140 3.400 55 1HG PRO 9 2HG PRO 9 -2.200 3.171 5.484 56 2HG PRO 9 1HG PRO 9 -2.694 4.858 5.280 57 1HD PRO 9 2HD PRO 9 -4.252 2.777 4.535 58 2HD PRO 9 1HD PRO 9 -4.274 4.338 3.693 59 H CYS 10 H CYS 10 0.438 2.637 1.385 60 HA CYS 10 HA CYS 10 1.088 0.218 2.920 61 1HB CYS 10 2HB CYS 10 1.941 -0.753 0.721 62 2HB CYS 10 1HB CYS 10 0.197 -0.681 0.919 63 H SER 11 H SER 11 3.431 -0.493 2.001 64 HA SER 11 HA SER 11 5.134 1.855 1.689 65 1HB SER 11 2HB SER 11 4.959 0.202 4.119 66 2HB SER 11 1HB SER 11 6.600 0.464 3.531 67 HG SER 11 HG SER 11 6.443 2.543 3.968 68 H LEU 12 H LEU 12 7.212 1.398 0.872 69 HA LEU 12 HA LEU 12 7.292 -0.766 -0.946 70 1HB LEU 12 2HB LEU 12 9.679 -0.021 -1.316 71 2HB LEU 12 1HB LEU 12 8.427 1.162 -1.630 72 HG LEU 12 HG LEU 12 8.916 2.255 0.522 73 1HD1 LEU 12 1HD1 LEU 12 11.279 1.465 1.434 74 2HD1 LEU 12 2HD1 LEU 12 10.708 -0.087 0.820 75 3HD1 LEU 12 3HD1 LEU 12 9.766 0.783 2.031 76 1HD2 LEU 12 1HD2 LEU 12 11.164 1.853 -1.425 77 2HD2 LEU 12 2HD2 LEU 12 11.262 2.999 -0.087 78 3HD2 LEU 12 3HD2 LEU 12 10.021 3.192 -1.324 79 H ASN 13 H ASN 13 8.269 -0.506 2.346 80 HA ASN 13 HA ASN 13 9.889 -2.938 2.104 81 1HB ASN 13 2HB ASN 13 9.808 -0.753 4.169 82 2HB ASN 13 1HB ASN 13 10.562 -2.309 4.505 83 1HD2 ASN 13 1HD2 ASN 13 11.529 0.551 4.092 84 2HD2 ASN 13 2HD2 ASN 13 12.847 0.379 2.988 85 H THR 14 H THR 14 6.771 -2.385 2.491 86 HA THR 14 HA THR 14 6.446 -4.254 4.731 87 HB THR 14 HB THR 14 4.101 -3.409 4.826 88 HG1 THR 14 1HG THR 14 3.456 -2.333 3.161 89 1HG2 THR 14 1HG2 THR 14 4.575 -1.203 5.747 90 2HG2 THR 14 2HG2 THR 14 6.197 -1.266 5.057 91 3HG2 THR 14 3HG2 THR 14 5.728 -2.410 6.315 92 H GLN 15 H GLN 15 4.088 -5.347 4.375 93 HA GLN 15 HA GLN 15 4.478 -7.257 2.347 94 1HB GLN 15 2HB GLN 15 1.808 -6.722 3.622 95 2HB GLN 15 1HB GLN 15 2.478 -8.252 3.082 96 1HG GLN 15 2HG GLN 15 3.155 -8.666 5.139 97 2HG GLN 15 1HG GLN 15 4.225 -7.266 5.053 98 1HE2 GLN 15 1HE2 GLN 15 3.868 -7.065 7.334 99 2HE2 GLN 15 2HE2 GLN 15 2.441 -6.288 7.921 100 HA PRO 16 HA PRO 16 2.627 -5.445 -1.234 101 1HB PRO 16 2HB PRO 16 1.306 -7.562 -2.342 102 2HB PRO 16 1HB PRO 16 3.060 -7.360 -2.423 103 1HG PRO 16 2HG PRO 16 1.431 -9.048 -0.565 104 2HG PRO 16 1HG PRO 16 2.942 -9.445 -1.407 105 1HD PRO 16 2HD PRO 16 2.900 -8.736 1.192 106 2HD PRO 16 1HD PRO 16 4.242 -8.296 0.119 107 H CYS 17 H CYS 17 0.369 -5.505 -2.463 108 HA CYS 17 HA CYS 17 -1.592 -4.789 -0.444 109 1HB CYS 17 2HB CYS 17 -1.740 -4.499 -3.449 110 2HB CYS 17 1HB CYS 17 -2.851 -3.797 -2.277 111 H CYS 18 H CYS 18 -3.948 -5.271 -1.188 112 HA CYS 18 HA CYS 18 -4.133 -8.181 -1.513 113 1HB CYS 18 2HB CYS 18 -6.195 -6.246 -0.436 114 2HB CYS 18 1HB CYS 18 -6.308 -7.999 -0.422 115 H ASP 19 H ASP 19 -6.146 -8.955 -2.627 116 HA ASP 19 HA ASP 19 -7.320 -9.178 -4.568 117 1HB ASP 19 2HB ASP 19 -7.644 -6.194 -4.196 118 2HB ASP 19 1HB ASP 19 -8.588 -7.179 -5.310 119 H ASP 20 H ASP 20 -4.445 -8.705 -4.745 120 HA ASP 20 HA ASP 20 -2.856 -8.469 -6.346 121 1HB ASP 20 2HB ASP 20 -4.603 -9.683 -7.726 122 2HB ASP 20 1HB ASP 20 -5.095 -8.107 -8.340 123 H ALA 21 H ALA 21 -3.714 -6.191 -4.893 124 HA ALA 21 HA ALA 21 -3.890 -3.959 -6.709 125 1HB ALA 21 1HB ALA 21 -3.983 -4.347 -3.794 126 2HB ALA 21 2HB ALA 21 -4.928 -3.277 -4.827 127 3HB ALA 21 3HB ALA 21 -3.300 -2.812 -4.329 128 H THR 22 H THR 22 -2.296 -2.058 -6.163 129 HA THR 22 HA THR 22 0.444 -3.075 -5.954 130 HB THR 22 HB THR 22 -0.542 -1.187 -8.099 131 HG1 THR 22 1HG THR 22 0.294 -3.889 -8.184 132 1HG2 THR 22 1HG2 THR 22 1.563 -0.496 -8.191 133 2HG2 THR 22 2HG2 THR 22 1.925 -2.087 -8.860 134 3HG2 THR 22 3HG2 THR 22 2.127 -1.789 -7.133 135 H CYS 23 H CYS 23 1.855 -1.743 -4.920 136 HA CYS 23 HA CYS 23 0.735 0.465 -3.443 137 1HB CYS 23 2HB CYS 23 2.494 -1.276 -2.650 138 2HB CYS 23 1HB CYS 23 3.654 -0.266 -3.503 139 H THR 24 H THR 24 0.509 2.403 -4.396 140 HA THR 24 HA THR 24 2.627 3.302 -6.229 141 HB THR 24 HB THR 24 -0.359 3.721 -6.376 142 HG1 THR 24 1HG THR 24 -0.226 2.230 -7.821 143 1HG2 THR 24 1HG2 THR 24 0.533 5.832 -7.003 144 2HG2 THR 24 2HG2 THR 24 0.100 4.972 -8.482 145 3HG2 THR 24 3HG2 THR 24 1.789 5.075 -7.984 146 H GLN 25 H GLN 25 2.993 5.545 -6.365 147 HA GLN 25 HA GLN 25 3.026 6.875 -3.832 148 1HB GLN 25 2HB GLN 25 4.912 7.111 -5.320 149 2HB GLN 25 1HB GLN 25 3.877 7.720 -6.605 150 1HG GLN 25 2HG GLN 25 3.564 9.766 -5.546 151 2HG GLN 25 1HG GLN 25 4.118 9.151 -3.992 152 1HE2 GLN 25 1HE2 GLN 25 6.450 8.203 -4.187 153 2HE2 GLN 25 2HE2 GLN 25 7.589 9.248 -4.959 154 H GLU 26 H GLU 26 1.677 8.392 -3.094 155 HA GLU 26 HA GLU 26 -0.060 9.865 -4.891 156 1HB GLU 26 2HB GLU 26 -1.254 8.249 -2.637 157 2HB GLU 26 1HB GLU 26 -2.118 9.222 -3.819 158 1HG GLU 26 2HG GLU 26 -1.391 7.704 -5.594 159 2HG GLU 26 1HG GLU 26 -0.550 6.721 -4.397 160 H ARG 27 H ARG 27 -1.616 11.264 -3.368 161 HA ARG 27 HA ARG 27 0.184 12.544 -1.431 162 1HB ARG 27 2HB ARG 27 -2.167 13.602 -3.000 163 2HB ARG 27 1HB ARG 27 -1.391 14.506 -1.706 164 1HG ARG 27 2HG ARG 27 0.196 13.457 -4.016 165 2HG ARG 27 1HG ARG 27 -0.694 14.976 -4.132 166 1HD ARG 27 2HD ARG 27 0.550 15.421 -1.824 167 2HD ARG 27 1HD ARG 27 1.704 14.287 -2.524 168 HE ARG 27 HE ARG 27 0.964 16.385 -4.328 169 1HH1 ARG 27 1HH1 ARG 27 3.094 15.552 -1.680 170 2HH1 ARG 27 2HH1 ARG 27 4.287 16.729 -2.112 171 1HH2 ARG 27 1HH2 ARG 27 2.538 17.929 -4.887 172 2HH2 ARG 27 2HH2 ARG 27 3.972 18.077 -3.928 173 H ASN 28 H ASN 28 -0.497 13.063 0.636 174 HA ASN 28 HA ASN 28 -2.899 11.625 1.533 175 1HB ASN 28 2HB ASN 28 -1.874 11.595 3.752 176 2HB ASN 28 1HB ASN 28 -0.772 10.917 2.559 177 1HD2 ASN 28 1HD2 ASN 28 0.289 11.661 4.874 178 2HD2 ASN 28 2HD2 ASN 28 1.201 13.118 4.709 179 H GLU 29 H GLU 29 -3.503 12.746 3.868 180 HA GLU 29 HA GLU 29 -4.849 15.121 3.147 181 1HB GLU 29 2HB GLU 29 -5.530 15.194 5.506 182 2HB GLU 29 1HB GLU 29 -5.740 13.592 4.820 183 1HG GLU 29 2HG GLU 29 -3.388 13.144 5.828 184 2HG GLU 29 1HG GLU 29 -3.757 14.545 6.833 185 H ASN 30 H ASN 30 -1.798 14.480 4.725 186 HA ASN 30 HA ASN 30 -1.430 17.131 5.733 187 1HB ASN 30 2HB ASN 30 0.686 15.034 5.219 188 2HB ASN 30 1HB ASN 30 0.804 16.418 6.302 189 1HD2 ASN 30 1HD2 ASN 30 1.015 13.486 6.746 190 2HD2 ASN 30 2HD2 ASN 30 -0.105 13.145 8.016 191 H GLY 31 H GLY 31 -0.727 15.491 2.731 192 1HA GLY 31 2HA GLY 31 -0.495 16.788 0.719 193 2HA GLY 31 1HA GLY 31 0.273 18.049 1.666 194 H HIS 32 H HIS 32 1.505 15.091 2.657 195 HA HIS 32 HA HIS 32 3.922 15.545 1.081 196 1HB HIS 32 2HB HIS 32 3.696 15.138 3.716 197 2HB HIS 32 1HB HIS 32 3.828 13.460 3.201 198 HD1 HIS 32 1HD HIS 32 5.807 16.505 3.773 199 HD2 HIS 32 2HD HIS 32 6.310 12.845 1.874 200 HE1 HIS 32 1HE HIS 32 8.284 16.276 3.400 201 HE2 HIS 32 2HE HIS 32 8.556 14.092 2.176 202 H THR 33 H THR 33 5.058 13.717 0.129 203 HA THR 33 HA THR 33 3.327 12.091 -1.416 204 HB THR 33 HB THR 33 6.313 11.826 -1.013 205 HG1 THR 33 1HG THR 33 6.217 13.700 -1.983 206 1HG2 THR 33 1HG2 THR 33 6.440 10.538 -2.928 207 2HG2 THR 33 2HG2 THR 33 4.826 11.000 -3.469 208 3HG2 THR 33 3HG2 THR 33 5.017 9.891 -2.111 209 H VAL 34 H VAL 34 2.515 10.147 -1.050 210 HA VAL 34 HA VAL 34 3.730 8.435 1.004 211 HB VAL 34 HB VAL 34 1.479 7.809 1.818 212 1HG1 VAL 34 1HG1 VAL 34 2.968 9.728 2.747 213 2HG1 VAL 34 2HG1 VAL 34 1.312 9.550 3.329 214 3HG1 VAL 34 3HG1 VAL 34 1.695 10.775 2.118 215 1HG2 VAL 34 1HG2 VAL 34 0.335 10.235 0.508 216 2HG2 VAL 34 2HG2 VAL 34 -0.480 8.793 1.111 217 3HG2 VAL 34 3HG2 VAL 34 0.430 8.726 -0.399 218 H TYR 35 H TYR 35 2.594 6.202 0.924 219 HA TYR 35 HA TYR 35 2.223 5.468 -1.909 220 1HB TYR 35 2HB TYR 35 3.340 3.637 0.213 221 2HB TYR 35 1HB TYR 35 3.366 3.417 -1.533 222 HD1 TYR 35 1HD TYR 35 4.853 4.866 -2.929 223 HD2 TYR 35 2HD TYR 35 5.052 4.847 1.321 224 HE1 TYR 35 1HE TYR 35 7.078 5.907 -3.034 225 HE2 TYR 35 2HE TYR 35 7.278 5.889 1.227 226 HH TYR 35 HH TYR 35 8.486 7.418 -1.354 227 H TYR 36 H TYR 36 0.334 4.551 -2.411 228 HA TYR 36 HA TYR 36 -1.245 3.347 -0.233 229 1HB TYR 36 2HB TYR 36 -1.979 5.399 -2.232 230 2HB TYR 36 1HB TYR 36 -3.179 4.144 -1.947 231 HD1 TYR 36 1HD TYR 36 -0.910 6.329 0.076 232 HD2 TYR 36 2HD TYR 36 -4.778 4.611 -0.360 233 HE1 TYR 36 1HE TYR 36 -1.657 7.511 2.099 234 HE2 TYR 36 2HE TYR 36 -5.536 5.789 1.661 235 HH TYR 36 HH TYR 36 -4.954 7.713 2.999 236 H CYS 37 H CYS 37 -2.968 1.862 -1.037 237 HA CYS 37 HA CYS 37 -1.840 0.132 -3.126 238 1HB CYS 37 2HB CYS 37 -3.686 -0.356 -0.802 239 2HB CYS 37 1HB CYS 37 -3.608 -1.497 -2.133 240 H ARG 38 H ARG 38 -2.859 -0.261 -4.993 241 HA ARG 38 HA ARG 38 -5.627 0.678 -5.304 242 1HB ARG 38 2HB ARG 38 -3.358 1.081 -7.263 243 2HB ARG 38 1HB ARG 38 -5.043 1.479 -7.571 244 1HG ARG 38 2HG ARG 38 -3.553 2.668 -5.261 245 2HG ARG 38 1HG ARG 38 -3.470 3.365 -6.880 246 1HD ARG 38 2HD ARG 38 -6.134 3.073 -6.625 247 2HD ARG 38 1HD ARG 38 -5.691 3.326 -4.937 248 HE ARG 38 HE ARG 38 -4.424 5.265 -6.527 249 1HH1 ARG 38 1HH1 ARG 38 -7.619 4.405 -5.392 250 2HH1 ARG 38 2HH1 ARG 38 -8.208 6.032 -5.450 251 1HH2 ARG 38 1HH2 ARG 38 -5.205 7.399 -6.598 252 2HH2 ARG 38 2HH2 ARG 38 -6.840 7.729 -6.132 253 H ALA 39 H ALA 39 -6.947 -0.779 -6.139 254 HA ALA 39 HA ALA 39 -6.017 -3.382 -6.825 255 1HB ALA 39 1HB ALA 39 -8.089 -3.594 -5.938 256 2HB ALA 39 2HB ALA 39 -8.572 -3.461 -7.629 257 3HB ALA 39 3HB ALA 39 -8.642 -2.046 -6.579 Start of MODEL 21 1 1H GLY 1 1HT GLY 1 0.833 -14.494 4.386 2 2H GLY 1 2HT GLY 1 0.650 -15.876 3.429 3 3H GLY 1 3HT GLY 1 0.430 -15.972 5.104 4 1HA GLY 1 1HA GLY 1 -1.398 -15.098 3.041 5 2HA GLY 1 2HA GLY 1 -1.737 -15.811 4.610 6 H SER 2 H SER 2 -0.081 -12.836 3.547 7 HA SER 2 HA SER 2 -2.101 -11.237 4.908 8 1HB SER 2 2HB SER 2 -0.348 -11.736 6.612 9 2HB SER 2 1HB SER 2 0.839 -10.953 5.571 10 HG SER 2 HG SER 2 0.059 -9.050 6.093 11 H CYS 3 H CYS 3 -2.395 -9.245 4.019 12 HA CYS 3 HA CYS 3 -0.425 -8.118 2.223 13 1HB CYS 3 2HB CYS 3 -2.006 -7.945 0.329 14 2HB CYS 3 1HB CYS 3 -1.608 -9.615 0.713 15 H VAL 4 H VAL 4 -1.239 -5.989 1.325 16 HA VAL 4 HA VAL 4 -2.493 -4.525 3.487 17 HB VAL 4 HB VAL 4 -1.221 -3.568 0.924 18 1HG1 VAL 4 1HG1 VAL 4 -1.149 -1.365 2.188 19 2HG1 VAL 4 2HG1 VAL 4 -2.342 -2.076 3.275 20 3HG1 VAL 4 3HG1 VAL 4 -2.719 -1.874 1.565 21 1HG2 VAL 4 1HG2 VAL 4 0.102 -4.731 2.893 22 2HG2 VAL 4 2HG2 VAL 4 -0.024 -3.122 3.604 23 3HG2 VAL 4 3HG2 VAL 4 0.755 -3.334 2.037 24 HA PRO 5 HA PRO 5 -6.435 -4.568 1.358 25 1HB PRO 5 2HB PRO 5 -7.183 -2.247 2.995 26 2HB PRO 5 1HB PRO 5 -7.883 -3.866 2.963 27 1HG PRO 5 2HG PRO 5 -6.416 -2.969 5.044 28 2HG PRO 5 1HG PRO 5 -6.431 -4.672 4.552 29 1HD PRO 5 2HD PRO 5 -4.370 -2.565 4.033 30 2HD PRO 5 1HD PRO 5 -4.155 -4.280 4.437 31 H VAL 6 H VAL 6 -7.149 -3.581 -0.455 32 HA VAL 6 HA VAL 6 -5.700 -1.527 -1.659 33 HB VAL 6 HB VAL 6 -8.507 -2.467 -2.271 34 1HG1 VAL 6 1HG1 VAL 6 -8.127 -0.292 -3.264 35 2HG1 VAL 6 2HG1 VAL 6 -8.100 -1.534 -4.517 36 3HG1 VAL 6 3HG1 VAL 6 -6.588 -0.839 -3.931 37 1HG2 VAL 6 1HG2 VAL 6 -5.801 -3.466 -2.895 38 2HG2 VAL 6 2HG2 VAL 6 -6.975 -3.497 -4.210 39 3HG2 VAL 6 3HG2 VAL 6 -7.318 -4.343 -2.701 40 H ASP 7 H ASP 7 -6.215 0.626 -2.048 41 HA ASP 7 HA ASP 7 -7.001 2.700 -1.641 42 1HB ASP 7 2HB ASP 7 -9.194 1.437 0.003 43 2HB ASP 7 1HB ASP 7 -9.160 3.059 -0.673 44 H GLN 8 H GLN 8 -5.552 0.680 0.460 45 HA GLN 8 HA GLN 8 -5.582 2.669 2.623 46 1HB GLN 8 2HB GLN 8 -4.780 -0.230 2.866 47 2HB GLN 8 1HB GLN 8 -4.990 0.925 4.173 48 1HG GLN 8 2HG GLN 8 -7.156 -0.162 2.390 49 2HG GLN 8 1HG GLN 8 -6.859 -0.602 4.071 50 1HE2 GLN 8 1HE2 GLN 8 -8.344 0.239 5.332 51 2HE2 GLN 8 2HE2 GLN 8 -9.017 1.824 5.205 52 HA PRO 9 HA PRO 9 -1.354 3.541 1.849 53 1HB PRO 9 2HB PRO 9 -0.320 3.792 4.370 54 2HB PRO 9 1HB PRO 9 -1.282 5.025 3.556 55 1HG PRO 9 2HG PRO 9 -2.107 3.025 5.614 56 2HG PRO 9 1HG PRO 9 -2.600 4.717 5.437 57 1HD PRO 9 2HD PRO 9 -4.164 2.647 4.672 58 2HD PRO 9 1HD PRO 9 -4.191 4.220 3.853 59 H CYS 10 H CYS 10 0.504 2.543 1.487 60 HA CYS 10 HA CYS 10 1.116 0.076 2.962 61 1HB CYS 10 2HB CYS 10 2.008 -0.812 0.738 62 2HB CYS 10 1HB CYS 10 0.261 -0.748 0.920 63 H SER 11 H SER 11 3.461 -0.634 2.076 64 HA SER 11 HA SER 11 5.203 1.713 1.944 65 1HB SER 11 2HB SER 11 4.803 0.573 4.353 66 2HB SER 11 1HB SER 11 6.114 -0.449 3.763 67 HG SER 11 HG SER 11 6.109 2.270 4.388 68 H LEU 12 H LEU 12 7.426 1.172 1.324 69 HA LEU 12 HA LEU 12 7.430 -0.814 -0.749 70 1HB LEU 12 2HB LEU 12 9.855 -0.038 -1.007 71 2HB LEU 12 1HB LEU 12 8.575 1.101 -1.369 72 HG LEU 12 HG LEU 12 8.934 2.258 0.723 73 1HD1 LEU 12 1HD1 LEU 12 11.064 1.486 2.023 74 2HD1 LEU 12 2HD1 LEU 12 10.686 -0.083 1.311 75 3HD1 LEU 12 3HD1 LEU 12 9.505 0.727 2.340 76 1HD2 LEU 12 1HD2 LEU 12 11.331 1.722 -0.980 77 2HD2 LEU 12 2HD2 LEU 12 11.423 2.823 0.394 78 3HD2 LEU 12 3HD2 LEU 12 10.295 3.149 -0.923 79 H ASN 13 H ASN 13 8.290 -0.831 2.559 80 HA ASN 13 HA ASN 13 9.984 -3.196 2.166 81 1HB ASN 13 2HB ASN 13 9.896 -1.080 4.275 82 2HB ASN 13 1HB ASN 13 10.485 -2.685 4.698 83 1HD2 ASN 13 1HD2 ASN 13 11.623 0.166 4.139 84 2HD2 ASN 13 2HD2 ASN 13 13.045 -0.178 3.219 85 H THR 14 H THR 14 6.852 -2.720 2.530 86 HA THR 14 HA THR 14 6.512 -4.745 4.632 87 HB THR 14 HB THR 14 4.228 -3.935 4.876 88 HG1 THR 14 1HG THR 14 3.345 -2.856 3.332 89 1HG2 THR 14 1HG2 THR 14 5.392 -2.663 6.344 90 2HG2 THR 14 2HG2 THR 14 4.809 -1.389 5.272 91 3HG2 THR 14 3HG2 THR 14 6.455 -2.000 5.102 92 H GLN 15 H GLN 15 4.124 -5.781 4.135 93 HA GLN 15 HA GLN 15 4.590 -7.548 1.971 94 1HB GLN 15 2HB GLN 15 2.114 -7.096 3.645 95 2HB GLN 15 1HB GLN 15 2.354 -8.447 2.551 96 1HG GLN 15 2HG GLN 15 4.204 -7.877 4.841 97 2HG GLN 15 1HG GLN 15 2.765 -8.883 5.001 98 1HE2 GLN 15 1HE2 GLN 15 5.885 -9.189 4.881 99 2HE2 GLN 15 2HE2 GLN 15 6.073 -10.622 3.934 100 HA PRO 16 HA PRO 16 2.631 -5.547 -1.449 101 1HB PRO 16 2HB PRO 16 1.242 -7.596 -2.619 102 2HB PRO 16 1HB PRO 16 2.989 -7.379 -2.775 103 1HG PRO 16 2HG PRO 16 1.459 -9.185 -0.945 104 2HG PRO 16 1HG PRO 16 2.931 -9.521 -1.877 105 1HD PRO 16 2HD PRO 16 3.015 -8.976 0.755 106 2HD PRO 16 1HD PRO 16 4.294 -8.438 -0.352 107 H CYS 17 H CYS 17 0.337 -5.545 -2.619 108 HA CYS 17 HA CYS 17 -1.560 -4.892 -0.518 109 1HB CYS 17 2HB CYS 17 -1.802 -4.492 -3.505 110 2HB CYS 17 1HB CYS 17 -2.859 -3.814 -2.270 111 H CYS 18 H CYS 18 -3.942 -5.320 -1.234 112 HA CYS 18 HA CYS 18 -4.166 -8.216 -1.643 113 1HB CYS 18 2HB CYS 18 -6.183 -6.292 -0.466 114 2HB CYS 18 1HB CYS 18 -6.315 -8.044 -0.498 115 H ASP 19 H ASP 19 -6.217 -8.932 -2.734 116 HA ASP 19 HA ASP 19 -7.432 -9.085 -4.655 117 1HB ASP 19 2HB ASP 19 -7.745 -6.171 -3.961 118 2HB ASP 19 1HB ASP 19 -8.540 -6.873 -5.367 119 H ASP 20 H ASP 20 -4.561 -8.648 -4.881 120 HA ASP 20 HA ASP 20 -3.002 -8.391 -6.507 121 1HB ASP 20 2HB ASP 20 -4.714 -9.544 -7.917 122 2HB ASP 20 1HB ASP 20 -5.331 -7.964 -8.391 123 H ALA 21 H ALA 21 -3.781 -6.150 -4.953 124 HA ALA 21 HA ALA 21 -3.921 -3.853 -6.699 125 1HB ALA 21 1HB ALA 21 -4.010 -4.322 -3.789 126 2HB ALA 21 2HB ALA 21 -4.963 -3.230 -4.792 127 3HB ALA 21 3HB ALA 21 -3.330 -2.777 -4.298 128 H THR 22 H THR 22 -2.289 -2.007 -6.088 129 HA THR 22 HA THR 22 0.425 -3.078 -5.864 130 HB THR 22 HB THR 22 -0.519 -1.204 -8.042 131 HG1 THR 22 1HG THR 22 -0.973 -3.124 -8.833 132 1HG2 THR 22 1HG2 THR 22 1.690 -0.546 -7.501 133 2HG2 THR 22 2HG2 THR 22 1.776 -1.533 -8.960 134 3HG2 THR 22 3HG2 THR 22 2.231 -2.223 -7.401 135 H CYS 23 H CYS 23 1.870 -1.743 -4.858 136 HA CYS 23 HA CYS 23 0.772 0.451 -3.347 137 1HB CYS 23 2HB CYS 23 2.550 -1.295 -2.605 138 2HB CYS 23 1HB CYS 23 3.692 -0.273 -3.471 139 H THR 24 H THR 24 0.524 2.395 -4.276 140 HA THR 24 HA THR 24 2.603 3.323 -6.136 141 HB THR 24 HB THR 24 -0.386 3.734 -6.224 142 HG1 THR 24 1HG THR 24 1.437 2.643 -8.101 143 1HG2 THR 24 1HG2 THR 24 0.603 5.854 -6.823 144 2HG2 THR 24 2HG2 THR 24 -0.042 5.055 -8.258 145 3HG2 THR 24 3HG2 THR 24 1.696 5.053 -7.951 146 H GLN 25 H GLN 25 2.955 5.570 -6.256 147 HA GLN 25 HA GLN 25 3.018 6.872 -3.708 148 1HB GLN 25 2HB GLN 25 4.894 7.125 -5.198 149 2HB GLN 25 1HB GLN 25 3.855 7.720 -6.485 150 1HG GLN 25 2HG GLN 25 3.512 9.768 -5.410 151 2HG GLN 25 1HG GLN 25 4.139 9.163 -3.879 152 1HE2 GLN 25 1HE2 GLN 25 4.891 10.590 -6.897 153 2HE2 GLN 25 2HE2 GLN 25 6.595 10.743 -6.659 154 H GLU 26 H GLU 26 1.644 8.350 -2.936 155 HA GLU 26 HA GLU 26 -0.139 9.795 -4.734 156 1HB GLU 26 2HB GLU 26 -1.191 8.224 -2.375 157 2HB GLU 26 1HB GLU 26 -2.136 9.218 -3.475 158 1HG GLU 26 2HG GLU 26 -1.514 7.700 -5.322 159 2HG GLU 26 1HG GLU 26 -0.677 6.676 -4.156 160 H ARG 27 H ARG 27 -1.655 11.215 -3.161 161 HA ARG 27 HA ARG 27 0.200 12.539 -1.297 162 1HB ARG 27 2HB ARG 27 -2.018 13.672 -3.002 163 2HB ARG 27 1HB ARG 27 -1.196 14.585 -1.748 164 1HG ARG 27 2HG ARG 27 0.907 13.651 -3.195 165 2HG ARG 27 1HG ARG 27 -0.316 13.871 -4.447 166 1HD ARG 27 2HD ARG 27 -0.621 16.173 -3.091 167 2HD ARG 27 1HD ARG 27 1.088 15.869 -2.785 168 HE ARG 27 HE ARG 27 0.430 15.572 -5.542 169 1HH1 ARG 27 1HH1 ARG 27 1.123 17.959 -3.080 170 2HH1 ARG 27 2HH1 ARG 27 1.696 19.135 -4.213 171 1HH2 ARG 27 1HH2 ARG 27 1.186 17.123 -7.023 172 2HH2 ARG 27 2HH2 ARG 27 1.730 18.663 -6.448 173 H ASN 28 H ASN 28 -0.551 13.243 0.697 174 HA ASN 28 HA ASN 28 -3.049 11.972 1.574 175 1HB ASN 28 2HB ASN 28 -2.139 12.060 3.829 176 2HB ASN 28 1HB ASN 28 -0.975 11.305 2.748 177 1HD2 ASN 28 1HD2 ASN 28 -0.030 12.167 5.061 178 2HD2 ASN 28 2HD2 ASN 28 0.900 13.611 4.868 179 H GLU 29 H GLU 29 -3.673 13.329 3.816 180 HA GLU 29 HA GLU 29 -4.966 15.635 2.833 181 1HB GLU 29 2HB GLU 29 -5.663 15.981 5.163 182 2HB GLU 29 1HB GLU 29 -5.893 14.314 4.659 183 1HG GLU 29 2HG GLU 29 -3.552 13.952 5.731 184 2HG GLU 29 1HG GLU 29 -3.914 15.458 6.574 185 H ASN 30 H ASN 30 -1.986 15.136 4.618 186 HA ASN 30 HA ASN 30 -1.567 17.877 5.274 187 1HB ASN 30 2HB ASN 30 0.165 15.423 5.282 188 2HB ASN 30 1HB ASN 30 0.870 17.012 5.561 189 1HD2 ASN 30 1HD2 ASN 30 1.443 16.207 7.650 190 2HD2 ASN 30 2HD2 ASN 30 0.276 16.192 8.924 191 H GLY 31 H GLY 31 -0.846 15.882 2.502 192 1HA GLY 31 2HA GLY 31 -0.533 16.894 0.353 193 2HA GLY 31 1HA GLY 31 0.198 18.277 1.150 194 H HIS 32 H HIS 32 1.268 15.280 2.391 195 HA HIS 32 HA HIS 32 3.822 15.645 1.010 196 1HB HIS 32 2HB HIS 32 3.070 14.922 3.684 197 2HB HIS 32 1HB HIS 32 4.026 13.617 2.989 198 HD1 HIS 32 1HD HIS 32 4.702 17.169 2.029 199 HD2 HIS 32 2HD HIS 32 6.256 14.255 4.551 200 HE1 HIS 32 1HE HIS 32 6.928 18.056 2.790 201 HE2 HIS 32 2HE HIS 32 7.813 16.313 4.380 202 H THR 33 H THR 33 4.965 13.780 0.179 203 HA THR 33 HA THR 33 3.290 12.104 -1.380 204 HB THR 33 HB THR 33 6.255 11.846 -0.847 205 HG1 THR 33 1HG THR 33 4.787 13.295 -2.780 206 1HG2 THR 33 1HG2 THR 33 6.451 10.495 -2.714 207 2HG2 THR 33 2HG2 THR 33 4.858 10.941 -3.328 208 3HG2 THR 33 3HG2 THR 33 4.997 9.879 -1.928 209 H VAL 34 H VAL 34 2.544 10.116 -1.047 210 HA VAL 34 HA VAL 34 3.643 8.501 1.138 211 HB VAL 34 HB VAL 34 1.355 7.880 1.864 212 1HG1 VAL 34 1HG1 VAL 34 2.831 9.879 2.754 213 2HG1 VAL 34 2HG1 VAL 34 1.205 9.588 3.374 214 3HG1 VAL 34 3HG1 VAL 34 1.475 10.837 2.158 215 1HG2 VAL 34 1HG2 VAL 34 0.553 10.082 -0.031 216 2HG2 VAL 34 2HG2 VAL 34 -0.503 9.435 1.225 217 3HG2 VAL 34 3HG2 VAL 34 0.063 8.388 -0.078 218 H TYR 35 H TYR 35 2.514 6.259 1.078 219 HA TYR 35 HA TYR 35 2.239 5.444 -1.745 220 1HB TYR 35 2HB TYR 35 3.417 3.765 0.475 221 2HB TYR 35 1HB TYR 35 3.377 3.384 -1.243 222 HD1 TYR 35 1HD TYR 35 5.013 4.254 -2.742 223 HD2 TYR 35 2HD TYR 35 4.916 5.565 1.305 224 HE1 TYR 35 1HE TYR 35 7.213 5.311 -3.037 225 HE2 TYR 35 2HE TYR 35 7.115 6.627 1.020 226 HH TYR 35 HH TYR 35 9.208 5.948 -1.225 227 H TYR 36 H TYR 36 0.357 4.523 -2.251 228 HA TYR 36 HA TYR 36 -1.192 3.255 -0.088 229 1HB TYR 36 2HB TYR 36 -1.985 5.355 -2.019 230 2HB TYR 36 1HB TYR 36 -3.166 4.084 -1.722 231 HD1 TYR 36 1HD TYR 36 -0.854 6.251 0.271 232 HD2 TYR 36 2HD TYR 36 -4.718 4.504 -0.076 233 HE1 TYR 36 1HE TYR 36 -1.547 7.388 2.338 234 HE2 TYR 36 2HE TYR 36 -5.423 5.637 1.990 235 HH TYR 36 HH TYR 36 -4.737 7.692 3.289 236 H CYS 37 H CYS 37 -2.925 1.803 -0.921 237 HA CYS 37 HA CYS 37 -1.817 0.130 -3.066 238 1HB CYS 37 2HB CYS 37 -3.635 -0.414 -0.733 239 2HB CYS 37 1HB CYS 37 -3.581 -1.522 -2.095 240 H ARG 38 H ARG 38 -2.862 -0.233 -4.930 241 HA ARG 38 HA ARG 38 -5.631 0.717 -5.187 242 1HB ARG 38 2HB ARG 38 -3.416 1.148 -7.200 243 2HB ARG 38 1HB ARG 38 -5.101 1.606 -7.414 244 1HG ARG 38 2HG ARG 38 -3.394 2.675 -5.186 245 2HG ARG 38 1HG ARG 38 -3.518 3.452 -6.765 246 1HD ARG 38 2HD ARG 38 -6.117 3.169 -6.237 247 2HD ARG 38 1HD ARG 38 -5.512 3.240 -4.583 248 HE ARG 38 HE ARG 38 -4.417 5.334 -6.153 249 1HH1 ARG 38 1HH1 ARG 38 -7.357 4.373 -4.517 250 2HH1 ARG 38 2HH1 ARG 38 -7.891 6.001 -4.268 251 1HH2 ARG 38 1HH2 ARG 38 -5.126 7.469 -5.819 252 2HH2 ARG 38 2HH2 ARG 38 -6.627 7.755 -5.003 253 H ALA 39 H ALA 39 -6.961 -0.708 -6.060 254 HA ALA 39 HA ALA 39 -6.059 -3.303 -6.792 255 1HB ALA 39 1HB ALA 39 -8.467 -3.669 -7.401 256 2HB ALA 39 2HB ALA 39 -8.760 -1.984 -6.973 257 3HB ALA 39 3HB ALA 39 -8.189 -3.119 -5.750 Start of MODEL 22 1 1H GLY 1 1HT GLY 1 -3.180 -14.898 2.535 2 2H GLY 1 2HT GLY 1 -4.019 -14.903 4.002 3 3H GLY 1 3HT GLY 1 -3.255 -16.311 3.462 4 1HA GLY 1 1HA GLY 1 -1.747 -15.583 5.007 5 2HA GLY 1 2HA GLY 1 -1.118 -14.891 3.519 6 H SER 2 H SER 2 -0.578 -12.824 3.629 7 HA SER 2 HA SER 2 -2.185 -10.988 5.230 8 1HB SER 2 2HB SER 2 0.760 -10.690 5.531 9 2HB SER 2 1HB SER 2 -0.534 -10.326 6.674 10 HG SER 2 HG SER 2 0.536 -12.867 6.018 11 H CYS 3 H CYS 3 -2.536 -9.152 4.162 12 HA CYS 3 HA CYS 3 -0.536 -8.050 2.386 13 1HB CYS 3 2HB CYS 3 -2.070 -7.912 0.454 14 2HB CYS 3 1HB CYS 3 -1.691 -9.577 0.881 15 H VAL 4 H VAL 4 -1.325 -5.939 1.439 16 HA VAL 4 HA VAL 4 -2.619 -4.437 3.550 17 HB VAL 4 HB VAL 4 -1.283 -3.527 1.003 18 1HG1 VAL 4 1HG1 VAL 4 -1.232 -1.305 2.234 19 2HG1 VAL 4 2HG1 VAL 4 -2.455 -1.992 3.301 20 3HG1 VAL 4 3HG1 VAL 4 -2.787 -1.815 1.579 21 1HG2 VAL 4 1HG2 VAL 4 -0.036 -4.657 3.062 22 2HG2 VAL 4 2HG2 VAL 4 -0.135 -3.008 3.681 23 3HG2 VAL 4 3HG2 VAL 4 0.669 -3.327 2.143 24 HA PRO 5 HA PRO 5 -6.513 -4.498 1.330 25 1HB PRO 5 2HB PRO 5 -7.289 -2.161 2.933 26 2HB PRO 5 1HB PRO 5 -7.994 -3.777 2.897 27 1HG PRO 5 2HG PRO 5 -6.575 -2.876 5.005 28 2HG PRO 5 1HG PRO 5 -6.575 -4.581 4.519 29 1HD PRO 5 2HD PRO 5 -4.511 -2.469 4.030 30 2HD PRO 5 1HD PRO 5 -4.298 -4.178 4.458 31 H VAL 6 H VAL 6 -7.202 -3.515 -0.500 32 HA VAL 6 HA VAL 6 -5.714 -1.491 -1.703 33 HB VAL 6 HB VAL 6 -8.533 -2.382 -2.334 34 1HG1 VAL 6 1HG1 VAL 6 -8.153 -0.253 -3.367 35 2HG1 VAL 6 2HG1 VAL 6 -8.020 -1.499 -4.608 36 3HG1 VAL 6 3HG1 VAL 6 -6.564 -0.761 -3.939 37 1HG2 VAL 6 1HG2 VAL 6 -5.840 -3.438 -2.930 38 2HG2 VAL 6 2HG2 VAL 6 -7.015 -3.467 -4.245 39 3HG2 VAL 6 3HG2 VAL 6 -7.372 -4.286 -2.726 40 H ASP 7 H ASP 7 -6.188 0.668 -2.113 41 HA ASP 7 HA ASP 7 -6.938 2.759 -1.724 42 1HB ASP 7 2HB ASP 7 -9.177 1.539 -0.107 43 2HB ASP 7 1HB ASP 7 -9.105 3.160 -0.786 44 H GLN 8 H GLN 8 -5.545 0.732 0.397 45 HA GLN 8 HA GLN 8 -5.575 2.720 2.557 46 1HB GLN 8 2HB GLN 8 -4.819 -0.189 2.815 47 2HB GLN 8 1HB GLN 8 -5.033 0.971 4.117 48 1HG GLN 8 2HG GLN 8 -7.177 -0.115 2.308 49 2HG GLN 8 1HG GLN 8 -6.930 -0.503 4.010 50 1HE2 GLN 8 1HE2 GLN 8 -8.812 1.196 1.996 51 2HE2 GLN 8 2HE2 GLN 8 -9.312 2.478 3.042 52 HA PRO 9 HA PRO 9 -1.333 3.545 1.831 53 1HB PRO 9 2HB PRO 9 -0.323 3.791 4.360 54 2HB PRO 9 1HB PRO 9 -1.268 5.031 3.535 55 1HG PRO 9 2HG PRO 9 -2.130 3.036 5.584 56 2HG PRO 9 1HG PRO 9 -2.604 4.733 5.405 57 1HD PRO 9 2HD PRO 9 -4.184 2.684 4.622 58 2HD PRO 9 1HD PRO 9 -4.181 4.256 3.800 59 H CYS 10 H CYS 10 0.518 2.545 1.485 60 HA CYS 10 HA CYS 10 1.157 0.105 2.991 61 1HB CYS 10 2HB CYS 10 1.965 -0.875 0.788 62 2HB CYS 10 1HB CYS 10 0.223 -0.761 0.990 63 H SER 11 H SER 11 3.480 -0.622 2.037 64 HA SER 11 HA SER 11 5.189 1.738 1.776 65 1HB SER 11 2HB SER 11 4.895 0.606 4.224 66 2HB SER 11 1HB SER 11 6.246 -0.336 3.598 67 HG SER 11 HG SER 11 6.107 2.499 3.705 68 H LEU 12 H LEU 12 7.267 1.310 0.907 69 HA LEU 12 HA LEU 12 7.265 -0.701 -1.085 70 1HB LEU 12 2HB LEU 12 9.623 0.036 -1.496 71 2HB LEU 12 1HB LEU 12 8.414 1.299 -1.589 72 HG LEU 12 HG LEU 12 9.068 2.001 0.728 73 1HD1 LEU 12 1HD1 LEU 12 11.591 1.102 1.081 74 2HD1 LEU 12 2HD1 LEU 12 10.817 -0.337 0.415 75 3HD1 LEU 12 3HD1 LEU 12 10.172 0.416 1.873 76 1HD2 LEU 12 1HD2 LEU 12 9.967 2.934 -1.485 77 2HD2 LEU 12 2HD2 LEU 12 11.444 2.052 -1.095 78 3HD2 LEU 12 3HD2 LEU 12 10.852 3.307 -0.006 79 H ASN 13 H ASN 13 8.396 -0.652 2.183 80 HA ASN 13 HA ASN 13 9.875 -3.146 1.741 81 1HB ASN 13 2HB ASN 13 10.857 -2.704 3.996 82 2HB ASN 13 1HB ASN 13 11.234 -1.469 2.800 83 1HD2 ASN 13 1HD2 ASN 13 11.180 0.482 3.615 84 2HD2 ASN 13 2HD2 ASN 13 10.093 1.058 4.828 85 H THR 14 H THR 14 6.819 -2.460 2.345 86 HA THR 14 HA THR 14 6.517 -4.340 4.572 87 HB THR 14 HB THR 14 4.157 -3.468 4.642 88 HG1 THR 14 1HG THR 14 3.656 -2.466 2.855 89 1HG2 THR 14 1HG2 THR 14 5.431 -2.467 6.275 90 2HG2 THR 14 2HG2 THR 14 4.845 -1.082 5.353 91 3HG2 THR 14 3HG2 THR 14 6.491 -1.672 5.110 92 H GLN 15 H GLN 15 4.156 -5.423 4.281 93 HA GLN 15 HA GLN 15 4.483 -7.367 2.277 94 1HB GLN 15 2HB GLN 15 1.856 -6.762 3.616 95 2HB GLN 15 1HB GLN 15 2.463 -8.310 3.054 96 1HG GLN 15 2HG GLN 15 3.287 -8.749 5.053 97 2HG GLN 15 1HG GLN 15 4.272 -7.288 4.996 98 1HE2 GLN 15 1HE2 GLN 15 3.042 -8.446 7.300 99 2HE2 GLN 15 2HE2 GLN 15 1.931 -7.282 7.927 100 HA PRO 16 HA PRO 16 2.603 -5.593 -1.309 101 1HB PRO 16 2HB PRO 16 1.219 -7.713 -2.342 102 2HB PRO 16 1HB PRO 16 2.971 -7.531 -2.478 103 1HG PRO 16 2HG PRO 16 1.382 -9.171 -0.545 104 2HG PRO 16 1HG PRO 16 2.866 -9.595 -1.418 105 1HD PRO 16 2HD PRO 16 2.900 -8.843 1.167 106 2HD PRO 16 1HD PRO 16 4.215 -8.422 0.049 107 H CYS 17 H CYS 17 0.329 -5.607 -2.491 108 HA CYS 17 HA CYS 17 -1.598 -4.874 -0.435 109 1HB CYS 17 2HB CYS 17 -1.764 -4.510 -3.433 110 2HB CYS 17 1HB CYS 17 -2.846 -3.808 -2.234 111 H CYS 18 H CYS 18 -3.970 -5.293 -1.183 112 HA CYS 18 HA CYS 18 -4.209 -8.190 -1.581 113 1HB CYS 18 2HB CYS 18 -6.242 -6.255 -0.450 114 2HB CYS 18 1HB CYS 18 -6.364 -8.008 -0.462 115 H ASP 19 H ASP 19 -6.259 -8.892 -2.688 116 HA ASP 19 HA ASP 19 -7.448 -9.048 -4.627 117 1HB ASP 19 2HB ASP 19 -7.709 -6.057 -4.252 118 2HB ASP 19 1HB ASP 19 -8.728 -7.057 -5.283 119 H ASP 20 H ASP 20 -4.574 -8.644 -4.829 120 HA ASP 20 HA ASP 20 -2.993 -8.399 -6.436 121 1HB ASP 20 2HB ASP 20 -5.240 -7.931 -8.398 122 2HB ASP 20 1HB ASP 20 -3.624 -8.542 -8.736 123 H ALA 21 H ALA 21 -3.767 -6.145 -4.912 124 HA ALA 21 HA ALA 21 -3.918 -3.860 -6.667 125 1HB ALA 21 1HB ALA 21 -3.983 -4.318 -3.758 126 2HB ALA 21 2HB ALA 21 -4.941 -3.229 -4.757 127 3HB ALA 21 3HB ALA 21 -3.306 -2.775 -4.275 128 H THR 22 H THR 22 -2.290 -2.008 -6.119 129 HA THR 22 HA THR 22 0.434 -3.072 -5.929 130 HB THR 22 HB THR 22 -0.535 -1.136 -8.040 131 HG1 THR 22 1HG THR 22 -1.090 -3.085 -8.775 132 1HG2 THR 22 1HG2 THR 22 1.630 -0.464 -7.817 133 2HG2 THR 22 2HG2 THR 22 1.821 -1.786 -8.968 134 3HG2 THR 22 3HG2 THR 22 2.181 -2.044 -7.262 135 H CYS 23 H CYS 23 1.875 -1.773 -4.887 136 HA CYS 23 HA CYS 23 0.791 0.425 -3.364 137 1HB CYS 23 2HB CYS 23 2.528 -1.362 -2.613 138 2HB CYS 23 1HB CYS 23 3.699 -0.347 -3.446 139 H THR 24 H THR 24 0.589 2.377 -4.287 140 HA THR 24 HA THR 24 2.720 3.290 -6.096 141 HB THR 24 HB THR 24 -0.266 3.688 -6.279 142 HG1 THR 24 1HG THR 24 -0.076 2.550 -8.115 143 1HG2 THR 24 1HG2 THR 24 0.646 5.820 -6.853 144 2HG2 THR 24 2HG2 THR 24 0.177 4.992 -8.339 145 3HG2 THR 24 3HG2 THR 24 1.875 5.074 -7.873 146 H GLN 25 H GLN 25 3.081 5.538 -6.207 147 HA GLN 25 HA GLN 25 3.085 6.844 -3.665 148 1HB GLN 25 2HB GLN 25 4.974 7.126 -5.139 149 2HB GLN 25 1HB GLN 25 3.939 7.725 -6.427 150 1HG GLN 25 2HG GLN 25 3.576 9.757 -5.345 151 2HG GLN 25 1HG GLN 25 4.158 9.141 -3.802 152 1HE2 GLN 25 1HE2 GLN 25 6.497 8.337 -3.920 153 2HE2 GLN 25 2HE2 GLN 25 7.610 9.378 -4.734 154 H GLU 26 H GLU 26 1.786 8.427 -2.945 155 HA GLU 26 HA GLU 26 -0.017 9.825 -4.735 156 1HB GLU 26 2HB GLU 26 -1.107 8.232 -2.411 157 2HB GLU 26 1HB GLU 26 -2.033 9.220 -3.531 158 1HG GLU 26 2HG GLU 26 -1.356 7.712 -5.364 159 2HG GLU 26 1HG GLU 26 -0.535 6.694 -4.183 160 H ARG 27 H ARG 27 -1.562 11.224 -3.172 161 HA ARG 27 HA ARG 27 0.258 12.517 -1.247 162 1HB ARG 27 2HB ARG 27 -1.809 13.638 -3.119 163 2HB ARG 27 1HB ARG 27 -1.301 14.539 -1.697 164 1HG ARG 27 2HG ARG 27 1.101 14.021 -2.666 165 2HG ARG 27 1HG ARG 27 0.195 13.899 -4.176 166 1HD ARG 27 2HD ARG 27 -0.107 16.244 -2.325 167 2HD ARG 27 1HD ARG 27 1.159 16.183 -3.551 168 HE ARG 27 HE ARG 27 -1.142 15.628 -4.912 169 1HH1 ARG 27 1HH1 ARG 27 -0.068 18.267 -2.881 170 2HH1 ARG 27 2HH1 ARG 27 -1.034 19.448 -3.700 171 1HH2 ARG 27 1HH2 ARG 27 -2.406 17.186 -5.980 172 2HH2 ARG 27 2HH2 ARG 27 -2.359 18.836 -5.455 173 H ASN 28 H ASN 28 -0.480 13.059 0.773 174 HA ASN 28 HA ASN 28 -3.015 11.815 1.554 175 1HB ASN 28 2HB ASN 28 -2.157 11.917 3.846 176 2HB ASN 28 1HB ASN 28 -1.007 11.113 2.784 177 1HD2 ASN 28 1HD2 ASN 28 -0.031 11.950 5.077 178 2HD2 ASN 28 2HD2 ASN 28 0.934 13.371 4.887 179 H GLU 29 H GLU 29 -3.816 13.074 3.727 180 HA GLU 29 HA GLU 29 -5.055 15.406 2.790 181 1HB GLU 29 2HB GLU 29 -5.808 15.699 5.115 182 2HB GLU 29 1HB GLU 29 -6.027 14.049 4.557 183 1HG GLU 29 2HG GLU 29 -3.920 13.439 5.718 184 2HG GLU 29 1HG GLU 29 -3.860 15.075 6.373 185 H ASN 30 H ASN 30 -2.080 14.888 4.548 186 HA ASN 30 HA ASN 30 -1.714 17.626 5.294 187 1HB ASN 30 2HB ASN 30 0.036 15.183 5.320 188 2HB ASN 30 1HB ASN 30 0.715 16.773 5.650 189 1HD2 ASN 30 1HD2 ASN 30 0.888 17.180 7.718 190 2HD2 ASN 30 2HD2 ASN 30 -0.188 16.651 8.962 191 H GLY 31 H GLY 31 -0.904 15.665 2.522 192 1HA GLY 31 2HA GLY 31 -0.561 16.745 0.397 193 2HA GLY 31 1HA GLY 31 0.211 18.074 1.245 194 H HIS 32 H HIS 32 1.384 15.331 2.674 195 HA HIS 32 HA HIS 32 3.874 15.550 1.214 196 1HB HIS 32 2HB HIS 32 3.322 15.135 3.846 197 2HB HIS 32 1HB HIS 32 3.628 13.486 3.312 198 HD1 HIS 32 1HD HIS 32 6.013 12.800 3.231 199 HD2 HIS 32 2HD HIS 32 5.577 16.931 3.205 200 HE1 HIS 32 1HE HIS 32 8.347 13.724 3.379 201 HE2 HIS 32 2HE HIS 32 8.052 16.225 3.447 202 H THR 33 H THR 33 4.979 13.746 0.284 203 HA THR 33 HA THR 33 3.295 12.085 -1.277 204 HB THR 33 HB THR 33 6.274 11.860 -0.811 205 HG1 THR 33 1HG THR 33 6.298 13.638 -1.907 206 1HG2 THR 33 1HG2 THR 33 6.449 10.574 -2.742 207 2HG2 THR 33 2HG2 THR 33 4.806 10.957 -3.257 208 3HG2 THR 33 3HG2 THR 33 5.071 9.879 -1.885 209 H VAL 34 H VAL 34 2.573 10.083 -0.970 210 HA VAL 34 HA VAL 34 3.740 8.428 1.150 211 HB VAL 34 HB VAL 34 1.471 7.767 1.907 212 1HG1 VAL 34 1HG1 VAL 34 2.571 10.501 2.248 213 2HG1 VAL 34 2HG1 VAL 34 2.336 9.217 3.433 214 3HG1 VAL 34 3HG1 VAL 34 0.961 10.180 2.892 215 1HG2 VAL 34 1HG2 VAL 34 0.379 10.200 0.552 216 2HG2 VAL 34 2HG2 VAL 34 -0.477 8.798 1.197 217 3HG2 VAL 34 3HG2 VAL 34 0.443 8.657 -0.301 218 H TYR 35 H TYR 35 2.631 6.181 1.069 219 HA TYR 35 HA TYR 35 2.319 5.416 -1.764 220 1HB TYR 35 2HB TYR 35 3.526 3.751 0.456 221 2HB TYR 35 1HB TYR 35 3.388 3.291 -1.236 222 HD1 TYR 35 1HD TYR 35 4.425 5.252 -2.852 223 HD2 TYR 35 2HD TYR 35 5.646 4.344 1.121 224 HE1 TYR 35 1HE TYR 35 6.628 6.245 -3.309 225 HE2 TYR 35 2HE TYR 35 7.852 5.335 0.675 226 HH TYR 35 HH TYR 35 8.495 7.231 -2.073 227 H TYR 36 H TYR 36 0.423 4.510 -2.277 228 HA TYR 36 HA TYR 36 -1.149 3.270 -0.115 229 1HB TYR 36 2HB TYR 36 -1.899 5.362 -2.069 230 2HB TYR 36 1HB TYR 36 -3.096 4.102 -1.790 231 HD1 TYR 36 1HD TYR 36 -0.754 6.101 0.342 232 HD2 TYR 36 2HD TYR 36 -4.721 4.694 -0.277 233 HE1 TYR 36 1HE TYR 36 -1.476 7.249 2.393 234 HE2 TYR 36 2HE TYR 36 -5.453 5.838 1.771 235 HH TYR 36 HH TYR 36 -4.700 7.776 3.169 236 H CYS 37 H CYS 37 -2.892 1.821 -0.948 237 HA CYS 37 HA CYS 37 -1.779 0.118 -3.066 238 1HB CYS 37 2HB CYS 37 -3.643 -0.397 -0.761 239 2HB CYS 37 1HB CYS 37 -3.555 -1.517 -2.109 240 H ARG 38 H ARG 38 -2.815 -0.278 -4.927 241 HA ARG 38 HA ARG 38 -5.566 0.703 -5.236 242 1HB ARG 38 2HB ARG 38 -3.298 1.101 -7.196 243 2HB ARG 38 1HB ARG 38 -4.978 1.527 -7.490 244 1HG ARG 38 2HG ARG 38 -3.435 2.669 -5.187 245 2HG ARG 38 1HG ARG 38 -3.396 3.392 -6.797 246 1HD ARG 38 2HD ARG 38 -6.048 3.123 -6.485 247 2HD ARG 38 1HD ARG 38 -5.571 3.311 -4.798 248 HE ARG 38 HE ARG 38 -4.331 5.295 -6.378 249 1HH1 ARG 38 1HH1 ARG 38 -7.459 4.433 -5.066 250 2HH1 ARG 38 2HH1 ARG 38 -8.020 6.069 -5.011 251 1HH2 ARG 38 1HH2 ARG 38 -5.078 7.441 -6.301 252 2HH2 ARG 38 2HH2 ARG 38 -6.672 7.774 -5.710 253 H ALA 39 H ALA 39 -6.898 -0.736 -6.096 254 HA ALA 39 HA ALA 39 -6.030 -3.353 -6.742 255 1HB ALA 39 1HB ALA 39 -8.179 -3.249 -5.860 256 2HB ALA 39 2HB ALA 39 -8.463 -3.561 -7.573 257 3HB ALA 39 3HB ALA 39 -8.661 -1.932 -6.928 Start of MODEL 23 1 1H GLY 1 1HT GLY 1 -5.034 -13.874 3.586 2 2H GLY 1 2HT GLY 1 -4.456 -15.256 4.370 3 3H GLY 1 3HT GLY 1 -4.683 -15.268 2.693 4 1HA GLY 1 1HA GLY 1 -2.320 -14.883 3.823 5 2HA GLY 1 2HA GLY 1 -2.760 -14.223 2.256 6 H SER 2 H SER 2 -0.875 -13.229 4.292 7 HA SER 2 HA SER 2 -2.092 -10.852 5.385 8 1HB SER 2 2HB SER 2 0.452 -10.370 5.876 9 2HB SER 2 1HB SER 2 -0.414 -11.601 6.796 10 HG SER 2 HG SER 2 1.497 -11.905 4.764 11 H CYS 3 H CYS 3 -2.533 -9.163 4.136 12 HA CYS 3 HA CYS 3 -0.483 -8.075 2.411 13 1HB CYS 3 2HB CYS 3 -1.983 -7.931 0.445 14 2HB CYS 3 1HB CYS 3 -1.591 -9.592 0.871 15 H VAL 4 H VAL 4 -1.257 -5.962 1.434 16 HA VAL 4 HA VAL 4 -2.571 -4.451 3.518 17 HB VAL 4 HB VAL 4 -1.265 -3.551 0.951 18 1HG1 VAL 4 1HG1 VAL 4 -1.212 -1.324 2.165 19 2HG1 VAL 4 2HG1 VAL 4 -2.412 -2.011 3.260 20 3HG1 VAL 4 3HG1 VAL 4 -2.776 -1.849 1.542 21 1HG2 VAL 4 1HG2 VAL 4 0.051 -4.684 2.914 22 2HG2 VAL 4 2HG2 VAL 4 -0.127 -3.098 3.664 23 3HG2 VAL 4 3HG2 VAL 4 0.691 -3.251 2.108 24 HA PRO 5 HA PRO 5 -6.474 -4.581 1.320 25 1HB PRO 5 2HB PRO 5 -7.296 -2.266 2.925 26 2HB PRO 5 1HB PRO 5 -7.955 -3.902 2.904 27 1HG PRO 5 2HG PRO 5 -6.536 -2.939 4.991 28 2HG PRO 5 1HG PRO 5 -6.509 -4.649 4.525 29 1HD PRO 5 2HD PRO 5 -4.489 -2.505 3.996 30 2HD PRO 5 1HD PRO 5 -4.241 -4.206 4.435 31 H VAL 6 H VAL 6 -7.194 -3.609 -0.504 32 HA VAL 6 HA VAL 6 -5.757 -1.555 -1.715 33 HB VAL 6 HB VAL 6 -8.565 -2.499 -2.322 34 1HG1 VAL 6 1HG1 VAL 6 -8.100 -0.301 -3.306 35 2HG1 VAL 6 2HG1 VAL 6 -8.226 -1.556 -4.540 36 3HG1 VAL 6 3HG1 VAL 6 -6.642 -0.952 -4.055 37 1HG2 VAL 6 1HG2 VAL 6 -5.838 -3.423 -3.103 38 2HG2 VAL 6 2HG2 VAL 6 -7.190 -3.643 -4.214 39 3HG2 VAL 6 3HG2 VAL 6 -7.242 -4.367 -2.605 40 H ASP 7 H ASP 7 -6.282 0.597 -2.120 41 HA ASP 7 HA ASP 7 -7.067 2.671 -1.718 42 1HB ASP 7 2HB ASP 7 -9.263 1.401 -0.079 43 2HB ASP 7 1HB ASP 7 -9.227 3.031 -0.738 44 H GLN 8 H GLN 8 -5.603 0.670 0.379 45 HA GLN 8 HA GLN 8 -5.641 2.658 2.541 46 1HB GLN 8 2HB GLN 8 -4.820 -0.232 2.803 47 2HB GLN 8 1HB GLN 8 -5.075 0.926 4.100 48 1HG GLN 8 2HG GLN 8 -7.173 -0.240 2.288 49 2HG GLN 8 1HG GLN 8 -6.929 -0.595 3.998 50 1HE2 GLN 8 1HE2 GLN 8 -8.882 0.972 1.976 51 2HE2 GLN 8 2HE2 GLN 8 -9.415 2.270 2.984 52 HA PRO 9 HA PRO 9 -1.416 3.535 1.765 53 1HB PRO 9 2HB PRO 9 -0.380 3.797 4.285 54 2HB PRO 9 1HB PRO 9 -1.344 5.024 3.466 55 1HG PRO 9 2HG PRO 9 -2.162 3.035 5.535 56 2HG PRO 9 1HG PRO 9 -2.663 4.722 5.346 57 1HD PRO 9 2HD PRO 9 -4.214 2.635 4.597 58 2HD PRO 9 1HD PRO 9 -4.258 4.205 3.774 59 H CYS 10 H CYS 10 0.442 2.549 1.401 60 HA CYS 10 HA CYS 10 1.098 0.106 2.896 61 1HB CYS 10 2HB CYS 10 1.958 -0.812 0.671 62 2HB CYS 10 1HB CYS 10 0.215 -0.768 0.889 63 H SER 11 H SER 11 3.441 -0.589 1.963 64 HA SER 11 HA SER 11 5.147 1.762 1.695 65 1HB SER 11 2HB SER 11 4.767 0.809 4.190 66 2HB SER 11 1HB SER 11 6.101 -0.225 3.680 67 HG SER 11 HG SER 11 6.028 2.604 3.790 68 H LEU 12 H LEU 12 7.283 1.281 0.960 69 HA LEU 12 HA LEU 12 7.349 -0.863 -0.906 70 1HB LEU 12 2HB LEU 12 9.793 -0.113 -1.164 71 2HB LEU 12 1HB LEU 12 8.518 0.989 -1.640 72 HG LEU 12 HG LEU 12 8.827 2.312 0.350 73 1HD1 LEU 12 1HD1 LEU 12 10.895 1.638 1.792 74 2HD1 LEU 12 2HD1 LEU 12 10.534 0.019 1.198 75 3HD1 LEU 12 3HD1 LEU 12 9.319 0.915 2.109 76 1HD2 LEU 12 1HD2 LEU 12 11.253 1.625 -1.244 77 2HD2 LEU 12 2HD2 LEU 12 11.359 2.794 0.073 78 3HD2 LEU 12 3HD2 LEU 12 10.262 3.084 -1.278 79 H ASN 13 H ASN 13 8.183 -0.682 2.406 80 HA ASN 13 HA ASN 13 9.884 -3.058 2.176 81 1HB ASN 13 2HB ASN 13 10.476 -2.505 4.588 82 2HB ASN 13 1HB ASN 13 11.051 -1.378 3.362 83 1HD2 ASN 13 1HD2 ASN 13 10.949 0.611 4.087 84 2HD2 ASN 13 2HD2 ASN 13 9.666 1.296 5.017 85 H THR 14 H THR 14 6.712 -2.224 2.870 86 HA THR 14 HA THR 14 6.338 -4.288 4.885 87 HB THR 14 HB THR 14 4.037 -3.482 5.005 88 HG1 THR 14 1HG THR 14 3.225 -2.078 3.592 89 1HG2 THR 14 1HG2 THR 14 5.089 -2.105 6.440 90 2HG2 THR 14 2HG2 THR 14 4.637 -0.897 5.236 91 3HG2 THR 14 3HG2 THR 14 6.267 -1.570 5.241 92 H GLN 15 H GLN 15 3.950 -5.350 4.360 93 HA GLN 15 HA GLN 15 4.509 -7.247 2.326 94 1HB GLN 15 2HB GLN 15 1.795 -6.857 3.559 95 2HB GLN 15 1HB GLN 15 2.546 -8.344 3.008 96 1HG GLN 15 2HG GLN 15 2.927 -8.706 5.176 97 2HG GLN 15 1HG GLN 15 4.268 -7.582 4.960 98 1HE2 GLN 15 1HE2 GLN 15 4.071 -7.101 7.203 99 2HE2 GLN 15 2HE2 GLN 15 2.853 -6.009 7.762 100 HA PRO 16 HA PRO 16 2.669 -5.453 -1.272 101 1HB PRO 16 2HB PRO 16 1.351 -7.588 -2.372 102 2HB PRO 16 1HB PRO 16 3.097 -7.346 -2.487 103 1HG PRO 16 2HG PRO 16 1.543 -9.080 -0.607 104 2HG PRO 16 1HG PRO 16 3.049 -9.436 -1.474 105 1HD PRO 16 2HD PRO 16 3.046 -8.751 1.123 106 2HD PRO 16 1HD PRO 16 4.345 -8.237 0.026 107 H CYS 17 H CYS 17 0.410 -5.559 -2.519 108 HA CYS 17 HA CYS 17 -1.565 -4.839 -0.510 109 1HB CYS 17 2HB CYS 17 -1.679 -4.544 -3.516 110 2HB CYS 17 1HB CYS 17 -2.823 -3.866 -2.363 111 H CYS 18 H CYS 18 -3.916 -5.329 -1.270 112 HA CYS 18 HA CYS 18 -4.085 -8.240 -1.591 113 1HB CYS 18 2HB CYS 18 -6.146 -6.303 -0.516 114 2HB CYS 18 1HB CYS 18 -6.284 -8.056 -0.527 115 H ASP 19 H ASP 19 -6.081 -9.032 -2.716 116 HA ASP 19 HA ASP 19 -7.238 -9.271 -4.665 117 1HB ASP 19 2HB ASP 19 -7.667 -6.375 -3.993 118 2HB ASP 19 1HB ASP 19 -8.345 -7.059 -5.467 119 H ASP 20 H ASP 20 -4.378 -8.764 -4.837 120 HA ASP 20 HA ASP 20 -2.786 -8.501 -6.431 121 1HB ASP 20 2HB ASP 20 -4.534 -9.715 -7.822 122 2HB ASP 20 1HB ASP 20 -5.013 -8.135 -8.436 123 H ALA 21 H ALA 21 -3.663 -6.238 -4.964 124 HA ALA 21 HA ALA 21 -3.852 -3.999 -6.772 125 1HB ALA 21 1HB ALA 21 -3.971 -4.399 -3.864 126 2HB ALA 21 2HB ALA 21 -4.898 -3.315 -4.898 127 3HB ALA 21 3HB ALA 21 -3.275 -2.863 -4.377 128 H THR 22 H THR 22 -2.278 -2.085 -6.191 129 HA THR 22 HA THR 22 0.469 -3.075 -5.972 130 HB THR 22 HB THR 22 -0.528 -1.206 -8.131 131 HG1 THR 22 1HG THR 22 -1.016 -3.192 -8.822 132 1HG2 THR 22 1HG2 THR 22 1.672 -1.234 -9.045 133 2HG2 THR 22 2HG2 THR 22 2.230 -2.347 -7.796 134 3HG2 THR 22 3HG2 THR 22 1.771 -0.699 -7.367 135 H CYS 23 H CYS 23 1.867 -1.712 -4.944 136 HA CYS 23 HA CYS 23 0.704 0.459 -3.449 137 1HB CYS 23 2HB CYS 23 2.522 -1.243 -2.693 138 2HB CYS 23 1HB CYS 23 3.643 -0.186 -3.542 139 H THR 24 H THR 24 0.411 2.391 -4.389 140 HA THR 24 HA THR 24 2.461 3.354 -6.265 141 HB THR 24 HB THR 24 -0.532 3.759 -6.285 142 HG1 THR 24 1HG THR 24 1.270 2.648 -8.170 143 1HG2 THR 24 1HG2 THR 24 0.311 5.879 -6.925 144 2HG2 THR 24 2HG2 THR 24 -0.147 5.031 -8.402 145 3HG2 THR 24 3HG2 THR 24 1.552 5.149 -7.944 146 H GLN 25 H GLN 25 2.799 5.603 -6.376 147 HA GLN 25 HA GLN 25 2.927 6.885 -3.824 148 1HB GLN 25 2HB GLN 25 4.749 7.174 -5.377 149 2HB GLN 25 1HB GLN 25 3.659 7.774 -6.618 150 1HG GLN 25 2HG GLN 25 3.335 9.805 -5.505 151 2HG GLN 25 1HG GLN 25 4.019 9.186 -4.005 152 1HE2 GLN 25 1HE2 GLN 25 6.349 8.193 -4.535 153 2HE2 GLN 25 2HE2 GLN 25 7.402 9.317 -5.319 154 H GLU 26 H GLU 26 1.655 8.459 -3.031 155 HA GLU 26 HA GLU 26 -0.217 9.876 -4.735 156 1HB GLU 26 2HB GLU 26 -1.197 8.231 -2.397 157 2HB GLU 26 1HB GLU 26 -2.178 9.276 -3.413 158 1HG GLU 26 2HG GLU 26 -1.603 7.836 -5.353 159 2HG GLU 26 1HG GLU 26 -0.781 6.745 -4.239 160 H ARG 27 H ARG 27 -1.711 11.240 -3.082 161 HA ARG 27 HA ARG 27 0.194 12.560 -1.263 162 1HB ARG 27 2HB ARG 27 -2.054 13.644 -2.944 163 2HB ARG 27 1HB ARG 27 -1.406 14.551 -1.585 164 1HG ARG 27 2HG ARG 27 0.580 13.526 -3.503 165 2HG ARG 27 1HG ARG 27 -0.508 14.777 -4.106 166 1HD ARG 27 2HD ARG 27 0.596 15.312 -1.443 167 2HD ARG 27 1HD ARG 27 1.802 15.233 -2.726 168 HE ARG 27 HE ARG 27 -0.056 17.325 -2.274 169 1HH1 ARG 27 1HH1 ARG 27 1.536 15.576 -4.853 170 2HH1 ARG 27 2HH1 ARG 27 1.439 16.895 -5.969 171 1HH2 ARG 27 1HH2 ARG 27 -0.178 19.052 -3.747 172 2HH2 ARG 27 2HH2 ARG 27 0.469 18.865 -5.343 173 H ASN 28 H ASN 28 -0.544 13.326 0.750 174 HA ASN 28 HA ASN 28 -2.976 11.970 1.711 175 1HB ASN 28 2HB ASN 28 -1.953 11.953 3.925 176 2HB ASN 28 1HB ASN 28 -0.874 11.203 2.756 177 1HD2 ASN 28 1HD2 ASN 28 0.257 11.924 5.012 178 2HD2 ASN 28 2HD2 ASN 28 1.206 13.355 4.832 179 H GLU 29 H GLU 29 -3.494 13.217 4.022 180 HA GLU 29 HA GLU 29 -4.775 15.594 3.217 181 1HB GLU 29 2HB GLU 29 -4.383 14.149 5.787 182 2HB GLU 29 1HB GLU 29 -4.874 15.834 5.878 183 1HG GLU 29 2HG GLU 29 -6.426 14.271 3.967 184 2HG GLU 29 1HG GLU 29 -6.549 13.691 5.628 185 H ASN 30 H ASN 30 -1.720 14.968 4.825 186 HA ASN 30 HA ASN 30 -1.212 17.672 5.567 187 1HB ASN 30 2HB ASN 30 0.463 15.186 5.392 188 2HB ASN 30 1HB ASN 30 1.222 16.749 5.678 189 1HD2 ASN 30 1HD2 ASN 30 -0.486 14.153 7.035 190 2HD2 ASN 30 2HD2 ASN 30 -0.655 14.787 8.633 191 H GLY 31 H GLY 31 -0.682 15.783 2.683 192 1HA GLY 31 2HA GLY 31 -0.446 16.848 0.557 193 2HA GLY 31 1HA GLY 31 0.308 18.214 1.361 194 H HIS 32 H HIS 32 1.415 15.152 2.425 195 HA HIS 32 HA HIS 32 3.922 15.578 0.966 196 1HB HIS 32 2HB HIS 32 3.709 15.317 3.568 197 2HB HIS 32 1HB HIS 32 3.616 13.598 3.196 198 HD1 HIS 32 1HD HIS 32 5.777 12.411 2.740 199 HD2 HIS 32 2HD HIS 32 6.198 16.545 2.738 200 HE1 HIS 32 1HE HIS 32 8.252 12.835 2.611 201 HE2 HIS 32 2HE HIS 32 8.487 15.341 2.698 202 H THR 33 H THR 33 5.046 13.710 0.085 203 HA THR 33 HA THR 33 3.326 12.078 -1.465 204 HB THR 33 HB THR 33 6.291 11.741 -0.981 205 HG1 THR 33 1HG THR 33 6.501 12.988 -2.861 206 1HG2 THR 33 1HG2 THR 33 6.412 10.506 -2.962 207 2HG2 THR 33 2HG2 THR 33 4.769 10.939 -3.433 208 3HG2 THR 33 3HG2 THR 33 5.037 9.831 -2.088 209 H VAL 34 H VAL 34 2.510 10.126 -1.114 210 HA VAL 34 HA VAL 34 3.626 8.461 1.030 211 HB VAL 34 HB VAL 34 1.337 7.864 1.767 212 1HG1 VAL 34 1HG1 VAL 34 2.813 9.788 2.715 213 2HG1 VAL 34 2HG1 VAL 34 1.139 9.625 3.245 214 3HG1 VAL 34 3HG1 VAL 34 1.567 10.831 2.030 215 1HG2 VAL 34 1HG2 VAL 34 0.498 10.149 -0.017 216 2HG2 VAL 34 2HG2 VAL 34 -0.545 9.299 1.124 217 3HG2 VAL 34 3HG2 VAL 34 0.125 8.442 -0.264 218 H TYR 35 H TYR 35 2.456 6.237 0.963 219 HA TYR 35 HA TYR 35 2.161 5.438 -1.860 220 1HB TYR 35 2HB TYR 35 3.277 3.642 0.287 221 2HB TYR 35 1HB TYR 35 3.357 3.436 -1.456 222 HD1 TYR 35 1HD TYR 35 4.418 5.826 -2.527 223 HD2 TYR 35 2HD TYR 35 5.372 3.972 1.182 224 HE1 TYR 35 1HE TYR 35 6.625 6.909 -2.560 225 HE2 TYR 35 2HE TYR 35 7.581 5.052 1.160 226 HH TYR 35 HH TYR 35 8.835 6.618 -1.605 227 H TYR 36 H TYR 36 0.274 4.523 -2.354 228 HA TYR 36 HA TYR 36 -1.285 3.281 -0.183 229 1HB TYR 36 2HB TYR 36 -2.067 5.321 -2.189 230 2HB TYR 36 1HB TYR 36 -3.250 4.066 -1.836 231 HD1 TYR 36 1HD TYR 36 -0.900 6.234 0.112 232 HD2 TYR 36 2HD TYR 36 -4.823 4.633 -0.259 233 HE1 TYR 36 1HE TYR 36 -1.584 7.460 2.130 234 HE2 TYR 36 2HE TYR 36 -5.519 5.855 1.760 235 HH TYR 36 HH TYR 36 -3.440 7.138 3.939 236 H CYS 37 H CYS 37 -2.993 1.786 -0.993 237 HA CYS 37 HA CYS 37 -1.861 0.094 -3.112 238 1HB CYS 37 2HB CYS 37 -3.689 -0.442 -0.785 239 2HB CYS 37 1HB CYS 37 -3.617 -1.561 -2.135 240 H ARG 38 H ARG 38 -2.872 -0.259 -4.986 241 HA ARG 38 HA ARG 38 -5.659 0.631 -5.267 242 1HB ARG 38 2HB ARG 38 -3.402 1.144 -7.213 243 2HB ARG 38 1HB ARG 38 -5.097 1.501 -7.517 244 1HG ARG 38 2HG ARG 38 -3.620 2.678 -5.187 245 2HG ARG 38 1HG ARG 38 -3.607 3.424 -6.786 246 1HD ARG 38 2HD ARG 38 -6.248 3.019 -6.479 247 2HD ARG 38 1HD ARG 38 -5.775 3.233 -4.794 248 HE ARG 38 HE ARG 38 -4.631 5.275 -6.353 249 1HH1 ARG 38 1HH1 ARG 38 -7.747 4.249 -5.140 250 2HH1 ARG 38 2HH1 ARG 38 -8.398 5.852 -5.111 251 1HH2 ARG 38 1HH2 ARG 38 -5.495 7.379 -6.313 252 2HH2 ARG 38 2HH2 ARG 38 -7.123 7.626 -5.776 253 H ALA 39 H ALA 39 -6.942 -0.865 -6.096 254 HA ALA 39 HA ALA 39 -5.987 -3.425 -6.827 255 1HB ALA 39 1HB ALA 39 -8.107 -3.566 -5.989 256 2HB ALA 39 2HB ALA 39 -8.470 -3.577 -7.714 257 3HB ALA 39 3HB ALA 39 -8.641 -2.087 -6.787 Start of MODEL 24 1 1H GLY 1 1HT GLY 1 -0.195 -15.732 6.525 2 2H GLY 1 2HT GLY 1 0.117 -16.780 5.235 3 3H GLY 1 3HT GLY 1 -1.430 -16.129 5.437 4 1HA GLY 1 1HA GLY 1 1.013 -14.555 4.828 5 2HA GLY 1 2HA GLY 1 -0.189 -15.036 3.639 6 H SER 2 H SER 2 0.485 -12.378 4.047 7 HA SER 2 HA SER 2 -2.101 -11.319 4.848 8 1HB SER 2 2HB SER 2 0.435 -10.816 6.315 9 2HB SER 2 1HB SER 2 -0.617 -9.427 6.042 10 HG SER 2 HG SER 2 -0.905 -11.490 7.774 11 H CYS 3 H CYS 3 -2.422 -9.088 4.149 12 HA CYS 3 HA CYS 3 -0.496 -7.976 2.298 13 1HB CYS 3 2HB CYS 3 -2.083 -7.876 0.417 14 2HB CYS 3 1HB CYS 3 -1.698 -9.537 0.855 15 H VAL 4 H VAL 4 -1.282 -5.864 1.408 16 HA VAL 4 HA VAL 4 -2.561 -4.379 3.536 17 HB VAL 4 HB VAL 4 -1.267 -3.457 0.972 18 1HG1 VAL 4 1HG1 VAL 4 -1.217 -1.232 2.196 19 2HG1 VAL 4 2HG1 VAL 4 -2.418 -1.925 3.285 20 3HG1 VAL 4 3HG1 VAL 4 -2.780 -1.756 1.567 21 1HG2 VAL 4 1HG2 VAL 4 0.162 -4.582 2.742 22 2HG2 VAL 4 2HG2 VAL 4 -0.193 -3.189 3.764 23 3HG2 VAL 4 3HG2 VAL 4 0.657 -2.966 2.235 24 HA PRO 5 HA PRO 5 -6.490 -4.457 1.384 25 1HB PRO 5 2HB PRO 5 -7.259 -2.128 2.999 26 2HB PRO 5 1HB PRO 5 -7.948 -3.752 2.978 27 1HG PRO 5 2HG PRO 5 -6.498 -2.827 5.057 28 2HG PRO 5 1HG PRO 5 -6.494 -4.534 4.577 29 1HD PRO 5 2HD PRO 5 -4.454 -2.409 4.043 30 2HD PRO 5 1HD PRO 5 -4.222 -4.116 4.473 31 H VAL 6 H VAL 6 -7.218 -3.486 -0.435 32 HA VAL 6 HA VAL 6 -5.777 -1.447 -1.667 33 HB VAL 6 HB VAL 6 -8.590 -2.391 -2.240 34 1HG1 VAL 6 1HG1 VAL 6 -8.181 -0.190 -3.220 35 2HG1 VAL 6 2HG1 VAL 6 -8.287 -1.435 -4.465 36 3HG1 VAL 6 3HG1 VAL 6 -6.713 -0.801 -3.984 37 1HG2 VAL 6 1HG2 VAL 6 -5.959 -3.520 -2.712 38 2HG2 VAL 6 2HG2 VAL 6 -6.868 -3.315 -4.209 39 3HG2 VAL 6 3HG2 VAL 6 -7.551 -4.256 -2.883 40 H ASP 7 H ASP 7 -6.302 0.706 -2.090 41 HA ASP 7 HA ASP 7 -7.065 2.788 -1.684 42 1HB ASP 7 2HB ASP 7 -9.257 1.534 -0.027 43 2HB ASP 7 1HB ASP 7 -9.218 3.161 -0.693 44 H GLN 8 H GLN 8 -5.593 0.787 0.409 45 HA GLN 8 HA GLN 8 -5.606 2.790 2.557 46 1HB GLN 8 2HB GLN 8 -4.815 -0.106 2.850 47 2HB GLN 8 1HB GLN 8 -5.063 1.070 4.133 48 1HG GLN 8 2HG GLN 8 -7.169 -0.097 2.330 49 2HG GLN 8 1HG GLN 8 -6.928 -0.441 4.042 50 1HE2 GLN 8 1HE2 GLN 8 -7.164 1.396 5.526 51 2HE2 GLN 8 2HE2 GLN 8 -8.347 2.601 5.163 52 HA PRO 9 HA PRO 9 -1.372 3.592 1.754 53 1HB PRO 9 2HB PRO 9 -0.325 3.891 4.262 54 2HB PRO 9 1HB PRO 9 -1.284 5.112 3.428 55 1HG PRO 9 2HG PRO 9 -2.108 3.164 5.535 56 2HG PRO 9 1HG PRO 9 -2.594 4.852 5.322 57 1HD PRO 9 2HD PRO 9 -4.169 2.768 4.611 58 2HD PRO 9 1HD PRO 9 -4.203 4.327 3.769 59 H CYS 10 H CYS 10 0.465 2.570 1.399 60 HA CYS 10 HA CYS 10 1.074 0.131 2.923 61 1HB CYS 10 2HB CYS 10 1.966 -0.785 0.697 62 2HB CYS 10 1HB CYS 10 0.224 -0.751 0.916 63 H SER 11 H SER 11 3.413 -0.607 2.038 64 HA SER 11 HA SER 11 5.158 1.740 1.892 65 1HB SER 11 2HB SER 11 6.087 -0.452 3.661 66 2HB SER 11 1HB SER 11 6.319 1.289 3.805 67 HG SER 11 HG SER 11 4.691 1.324 5.115 68 H LEU 12 H LEU 12 7.352 1.231 1.199 69 HA LEU 12 HA LEU 12 7.328 -0.749 -0.880 70 1HB LEU 12 2HB LEU 12 9.748 0.049 -1.179 71 2HB LEU 12 1HB LEU 12 8.448 1.168 -1.531 72 HG LEU 12 HG LEU 12 8.819 2.345 0.547 73 1HD1 LEU 12 1HD1 LEU 12 10.990 1.604 1.811 74 2HD1 LEU 12 2HD1 LEU 12 10.594 0.025 1.133 75 3HD1 LEU 12 3HD1 LEU 12 9.437 0.854 2.175 76 1HD2 LEU 12 1HD2 LEU 12 11.368 1.813 -0.963 77 2HD2 LEU 12 2HD2 LEU 12 11.115 3.153 0.154 78 3HD2 LEU 12 3HD2 LEU 12 10.159 3.045 -1.324 79 H ASN 13 H ASN 13 8.288 -0.746 2.407 80 HA ASN 13 HA ASN 13 9.949 -3.128 1.970 81 1HB ASN 13 2HB ASN 13 10.894 -2.684 4.205 82 2HB ASN 13 1HB ASN 13 11.137 -1.332 3.103 83 1HD2 ASN 13 1HD2 ASN 13 10.420 -2.053 6.165 84 2HD2 ASN 13 2HD2 ASN 13 9.466 -0.679 6.598 85 H THR 14 H THR 14 6.845 -2.607 2.476 86 HA THR 14 HA THR 14 6.575 -4.599 4.620 87 HB THR 14 HB THR 14 4.252 -3.764 4.852 88 HG1 THR 14 1HG THR 14 3.668 -2.862 3.001 89 1HG2 THR 14 1HG2 THR 14 4.816 -1.399 5.593 90 2HG2 THR 14 2HG2 THR 14 6.473 -1.775 5.120 91 3HG2 THR 14 3HG2 THR 14 5.677 -2.725 6.375 92 H GLN 15 H GLN 15 4.193 -5.660 4.248 93 HA GLN 15 HA GLN 15 4.549 -7.463 2.116 94 1HB GLN 15 2HB GLN 15 2.089 -6.897 3.779 95 2HB GLN 15 1HB GLN 15 2.304 -8.292 2.736 96 1HG GLN 15 2HG GLN 15 4.156 -7.672 5.013 97 2HG GLN 15 1HG GLN 15 2.702 -8.652 5.199 98 1HE2 GLN 15 1HE2 GLN 15 5.941 -8.767 4.681 99 2HE2 GLN 15 2HE2 GLN 15 6.064 -10.327 3.947 100 HA PRO 16 HA PRO 16 2.624 -5.483 -1.332 101 1HB PRO 16 2HB PRO 16 1.257 -7.537 -2.502 102 2HB PRO 16 1HB PRO 16 3.009 -7.342 -2.619 103 1HG PRO 16 2HG PRO 16 1.416 -9.104 -0.797 104 2HG PRO 16 1HG PRO 16 2.901 -9.472 -1.695 105 1HD PRO 16 2HD PRO 16 2.933 -8.883 0.932 106 2HD PRO 16 1HD PRO 16 4.250 -8.396 -0.154 107 H CYS 17 H CYS 17 0.350 -5.477 -2.522 108 HA CYS 17 HA CYS 17 -1.574 -4.794 -0.461 109 1HB CYS 17 2HB CYS 17 -1.772 -4.479 -3.461 110 2HB CYS 17 1HB CYS 17 -2.869 -3.790 -2.268 111 H CYS 18 H CYS 18 -3.952 -5.247 -1.215 112 HA CYS 18 HA CYS 18 -4.154 -8.158 -1.518 113 1HB CYS 18 2HB CYS 18 -6.194 -6.192 -0.453 114 2HB CYS 18 1HB CYS 18 -6.347 -7.943 -0.449 115 H ASP 19 H ASP 19 -6.154 -8.936 -2.643 116 HA ASP 19 HA ASP 19 -7.314 -9.170 -4.591 117 1HB ASP 19 2HB ASP 19 -7.672 -6.229 -4.038 118 2HB ASP 19 1HB ASP 19 -8.443 -7.021 -5.409 119 H ASP 20 H ASP 20 -4.441 -8.708 -4.752 120 HA ASP 20 HA ASP 20 -2.838 -8.480 -6.341 121 1HB ASP 20 2HB ASP 20 -4.658 -9.661 -7.718 122 2HB ASP 20 1HB ASP 20 -5.005 -8.073 -8.396 123 H ALA 21 H ALA 21 -3.698 -6.196 -4.900 124 HA ALA 21 HA ALA 21 -3.865 -3.968 -6.723 125 1HB ALA 21 1HB ALA 21 -3.968 -4.347 -3.807 126 2HB ALA 21 2HB ALA 21 -4.907 -3.278 -4.846 127 3HB ALA 21 3HB ALA 21 -3.281 -2.814 -4.344 128 H THR 22 H THR 22 -2.274 -2.066 -6.156 129 HA THR 22 HA THR 22 0.466 -3.074 -5.935 130 HB THR 22 HB THR 22 -0.515 -1.206 -8.101 131 HG1 THR 22 1HG THR 22 -0.892 -3.012 -9.078 132 1HG2 THR 22 1HG2 THR 22 1.587 -0.499 -8.172 133 2HG2 THR 22 2HG2 THR 22 1.961 -2.086 -8.843 134 3HG2 THR 22 3HG2 THR 22 2.154 -1.791 -7.115 135 H CYS 23 H CYS 23 1.869 -1.721 -4.909 136 HA CYS 23 HA CYS 23 0.722 0.481 -3.444 137 1HB CYS 23 2HB CYS 23 2.495 -1.243 -2.641 138 2HB CYS 23 1HB CYS 23 3.648 -0.221 -3.490 139 H THR 24 H THR 24 0.479 2.410 -4.395 140 HA THR 24 HA THR 24 2.573 3.323 -6.248 141 HB THR 24 HB THR 24 -0.413 3.760 -6.319 142 HG1 THR 24 1HG THR 24 1.378 2.701 -8.240 143 1HG2 THR 24 1HG2 THR 24 0.517 5.880 -6.922 144 2HG2 THR 24 2HG2 THR 24 -0.035 5.064 -8.386 145 3HG2 THR 24 3HG2 THR 24 1.686 5.112 -7.997 146 H GLN 25 H GLN 25 2.961 5.567 -6.357 147 HA GLN 25 HA GLN 25 3.057 6.852 -3.808 148 1HB GLN 25 2HB GLN 25 4.911 7.107 -5.333 149 2HB GLN 25 1HB GLN 25 3.852 7.734 -6.588 150 1HG GLN 25 2HG GLN 25 3.560 9.767 -5.491 151 2HG GLN 25 1HG GLN 25 4.163 9.129 -3.964 152 1HE2 GLN 25 1HE2 GLN 25 4.918 10.917 -6.665 153 2HE2 GLN 25 2HE2 GLN 25 6.640 10.917 -6.520 154 H GLU 26 H GLU 26 1.886 8.560 -3.092 155 HA GLU 26 HA GLU 26 0.050 9.979 -4.804 156 1HB GLU 26 2HB GLU 26 -1.011 8.262 -2.557 157 2HB GLU 26 1HB GLU 26 -1.956 9.399 -3.503 158 1HG GLU 26 2HG GLU 26 -1.315 8.060 -5.537 159 2HG GLU 26 1HG GLU 26 -0.684 6.847 -4.426 160 H ARG 27 H ARG 27 -1.491 11.306 -3.147 161 HA ARG 27 HA ARG 27 0.351 12.535 -1.201 162 1HB ARG 27 2HB ARG 27 -1.694 13.756 -3.040 163 2HB ARG 27 1HB ARG 27 -1.124 14.608 -1.612 164 1HG ARG 27 2HG ARG 27 1.237 14.035 -2.634 165 2HG ARG 27 1HG ARG 27 0.305 13.951 -4.129 166 1HD ARG 27 2HD ARG 27 -0.654 16.248 -3.090 167 2HD ARG 27 1HD ARG 27 0.986 16.271 -2.441 168 HE ARG 27 HE ARG 27 0.206 16.718 -5.147 169 1HH1 ARG 27 1HH1 ARG 27 2.795 15.463 -3.156 170 2HH1 ARG 27 2HH1 ARG 27 4.016 15.766 -4.345 171 1HH2 ARG 27 1HH2 ARG 27 1.817 17.111 -6.702 172 2HH2 ARG 27 2HH2 ARG 27 3.463 16.700 -6.354 173 H ASN 28 H ASN 28 -0.406 13.045 0.825 174 HA ASN 28 HA ASN 28 -2.965 11.814 1.546 175 1HB ASN 28 2HB ASN 28 -2.140 11.877 3.853 176 2HB ASN 28 1HB ASN 28 -0.978 11.082 2.796 177 1HD2 ASN 28 1HD2 ASN 28 -0.027 11.880 5.112 178 2HD2 ASN 28 2HD2 ASN 28 0.946 13.299 4.957 179 H GLU 29 H GLU 29 -3.795 13.039 3.722 180 HA GLU 29 HA GLU 29 -5.010 15.393 2.806 181 1HB GLU 29 2HB GLU 29 -4.784 14.037 5.458 182 2HB GLU 29 1HB GLU 29 -5.419 15.676 5.400 183 1HG GLU 29 2HG GLU 29 -6.916 14.597 3.484 184 2HG GLU 29 1HG GLU 29 -6.596 13.144 4.429 185 H ASN 30 H ASN 30 -2.045 14.841 4.563 186 HA ASN 30 HA ASN 30 -1.678 17.572 5.349 187 1HB ASN 30 2HB ASN 30 0.075 15.129 5.356 188 2HB ASN 30 1HB ASN 30 0.734 16.716 5.740 189 1HD2 ASN 30 1HD2 ASN 30 -0.097 17.836 7.563 190 2HD2 ASN 30 2HD2 ASN 30 -0.822 16.969 8.871 191 H GLY 31 H GLY 31 -0.851 15.634 2.566 192 1HA GLY 31 2HA GLY 31 -0.492 16.756 0.457 193 2HA GLY 31 1HA GLY 31 0.314 18.046 1.333 194 H HIS 32 H HIS 32 1.445 15.307 2.751 195 HA HIS 32 HA HIS 32 3.927 15.465 1.284 196 1HB HIS 32 2HB HIS 32 3.103 14.651 3.917 197 2HB HIS 32 1HB HIS 32 4.049 13.364 3.180 198 HD1 HIS 32 1HD HIS 32 4.517 17.141 3.047 199 HD2 HIS 32 2HD HIS 32 6.548 13.689 4.155 200 HE1 HIS 32 1HE HIS 32 6.817 17.902 3.723 201 HE2 HIS 32 2HE HIS 32 7.998 15.806 4.474 202 H THR 33 H THR 33 4.964 13.700 0.257 203 HA THR 33 HA THR 33 3.229 12.071 -1.281 204 HB THR 33 HB THR 33 6.223 11.843 -0.920 205 HG1 THR 33 1HG THR 33 4.719 13.207 -2.899 206 1HG2 THR 33 1HG2 THR 33 6.322 10.330 -2.556 207 2HG2 THR 33 2HG2 THR 33 5.053 11.117 -3.494 208 3HG2 THR 33 3HG2 THR 33 4.626 10.029 -2.173 209 H VAL 34 H VAL 34 2.423 10.133 -0.902 210 HA VAL 34 HA VAL 34 3.692 8.404 1.106 211 HB VAL 34 HB VAL 34 1.445 7.735 1.923 212 1HG1 VAL 34 1HG1 VAL 34 2.111 10.661 2.226 213 2HG1 VAL 34 2HG1 VAL 34 2.765 9.334 3.187 214 3HG1 VAL 34 3HG1 VAL 34 1.051 9.737 3.291 215 1HG2 VAL 34 1HG2 VAL 34 0.491 10.106 0.320 216 2HG2 VAL 34 2HG2 VAL 34 -0.484 9.154 1.438 217 3HG2 VAL 34 3HG2 VAL 34 0.145 8.413 -0.033 218 H TYR 35 H TYR 35 2.616 6.150 1.003 219 HA TYR 35 HA TYR 35 2.226 5.457 -1.837 220 1HB TYR 35 2HB TYR 35 3.284 3.542 0.233 221 2HB TYR 35 1HB TYR 35 3.398 3.438 -1.520 222 HD1 TYR 35 1HD TYR 35 4.505 5.916 -2.386 223 HD2 TYR 35 2HD TYR 35 5.391 3.721 1.149 224 HE1 TYR 35 1HE TYR 35 6.734 6.953 -2.308 225 HE2 TYR 35 2HE TYR 35 7.622 4.750 1.238 226 HH TYR 35 HH TYR 35 8.959 6.466 -1.357 227 H TYR 36 H TYR 36 0.332 4.564 -2.361 228 HA TYR 36 HA TYR 36 -1.268 3.347 -0.204 229 1HB TYR 36 2HB TYR 36 -1.973 5.417 -2.192 230 2HB TYR 36 1HB TYR 36 -3.181 4.163 -1.935 231 HD1 TYR 36 1HD TYR 36 -1.042 6.569 -0.049 232 HD2 TYR 36 2HD TYR 36 -4.680 4.364 -0.173 233 HE1 TYR 36 1HE TYR 36 -1.808 7.730 1.978 234 HE2 TYR 36 2HE TYR 36 -5.456 5.521 1.854 235 HH TYR 36 HH TYR 36 -5.014 7.640 3.048 236 H CYS 37 H CYS 37 -2.977 1.869 -1.007 237 HA CYS 37 HA CYS 37 -1.860 0.140 -3.103 238 1HB CYS 37 2HB CYS 37 -3.688 -0.345 -0.766 239 2HB CYS 37 1HB CYS 37 -3.632 -1.484 -2.101 240 H ARG 38 H ARG 38 -2.860 -0.207 -4.979 241 HA ARG 38 HA ARG 38 -5.638 0.714 -5.283 242 1HB ARG 38 2HB ARG 38 -3.405 1.052 -7.295 243 2HB ARG 38 1HB ARG 38 -5.082 1.524 -7.532 244 1HG ARG 38 2HG ARG 38 -3.265 2.658 -5.417 245 2HG ARG 38 1HG ARG 38 -3.603 3.414 -6.976 246 1HD ARG 38 2HD ARG 38 -6.106 3.063 -6.179 247 2HD ARG 38 1HD ARG 38 -5.346 3.104 -4.589 248 HE ARG 38 HE ARG 38 -4.432 5.273 -6.142 249 1HH1 ARG 38 1HH1 ARG 38 -7.285 4.175 -4.438 250 2HH1 ARG 38 2HH1 ARG 38 -7.867 5.777 -4.135 251 1HH2 ARG 38 1HH2 ARG 38 -5.208 7.374 -5.741 252 2HH2 ARG 38 2HH2 ARG 38 -6.693 7.589 -4.875 253 H ALA 39 H ALA 39 -6.956 -0.803 -6.005 254 HA ALA 39 HA ALA 39 -6.009 -3.388 -6.728 255 1HB ALA 39 1HB ALA 39 -8.034 -3.682 -5.783 256 2HB ALA 39 2HB ALA 39 -8.617 -3.469 -7.434 257 3HB ALA 39 3HB ALA 39 -8.627 -2.108 -6.313 Start of MODEL 25 1 1H GLY 1 1HT GLY 1 -0.926 -16.545 2.248 2 2H GLY 1 2HT GLY 1 -2.173 -15.415 2.422 3 3H GLY 1 3HT GLY 1 -1.564 -16.216 3.780 4 1HA GLY 1 1HA GLY 1 0.331 -14.974 3.881 5 2HA GLY 1 2HA GLY 1 0.297 -14.644 2.156 6 H SER 2 H SER 2 0.367 -12.999 4.779 7 HA SER 2 HA SER 2 -1.994 -11.429 4.796 8 1HB SER 2 2HB SER 2 0.618 -10.301 5.717 9 2HB SER 2 1HB SER 2 -0.977 -10.183 6.459 10 HG SER 2 HG SER 2 0.815 -11.713 7.309 11 H CYS 3 H CYS 3 -2.326 -9.307 4.034 12 HA CYS 3 HA CYS 3 -0.389 -8.134 2.233 13 1HB CYS 3 2HB CYS 3 -1.959 -8.005 0.335 14 2HB CYS 3 1HB CYS 3 -1.546 -9.668 0.734 15 H VAL 4 H VAL 4 -1.225 -6.026 1.347 16 HA VAL 4 HA VAL 4 -2.516 -4.579 3.497 17 HB VAL 4 HB VAL 4 -1.240 -3.612 0.939 18 1HG1 VAL 4 1HG1 VAL 4 -1.205 -1.404 2.197 19 2HG1 VAL 4 2HG1 VAL 4 -2.398 -2.125 3.278 20 3HG1 VAL 4 3HG1 VAL 4 -2.763 -1.934 1.563 21 1HG2 VAL 4 1HG2 VAL 4 0.079 -4.751 2.928 22 2HG2 VAL 4 2HG2 VAL 4 -0.064 -3.136 3.622 23 3HG2 VAL 4 3HG2 VAL 4 0.726 -3.360 2.061 24 HA PRO 5 HA PRO 5 -6.442 -4.677 1.342 25 1HB PRO 5 2HB PRO 5 -7.237 -2.365 2.969 26 2HB PRO 5 1HB PRO 5 -7.909 -3.996 2.939 27 1HG PRO 5 2HG PRO 5 -6.467 -3.064 5.024 28 2HG PRO 5 1HG PRO 5 -6.454 -4.770 4.542 29 1HD PRO 5 2HD PRO 5 -4.423 -2.634 4.022 30 2HD PRO 5 1HD PRO 5 -4.185 -4.344 4.436 31 H VAL 6 H VAL 6 -7.162 -3.701 -0.478 32 HA VAL 6 HA VAL 6 -5.734 -1.632 -1.680 33 HB VAL 6 HB VAL 6 -8.532 -2.594 -2.300 34 1HG1 VAL 6 1HG1 VAL 6 -8.161 -0.424 -3.302 35 2HG1 VAL 6 2HG1 VAL 6 -8.111 -1.670 -4.550 36 3HG1 VAL 6 3HG1 VAL 6 -6.612 -0.959 -3.952 37 1HG2 VAL 6 1HG2 VAL 6 -5.812 -3.569 -2.929 38 2HG2 VAL 6 2HG2 VAL 6 -7.005 -3.632 -4.227 39 3HG2 VAL 6 3HG2 VAL 6 -7.315 -4.464 -2.702 40 H ASP 7 H ASP 7 -6.272 0.516 -2.078 41 HA ASP 7 HA ASP 7 -7.077 2.581 -1.671 42 1HB ASP 7 2HB ASP 7 -9.270 1.294 -0.044 43 2HB ASP 7 1HB ASP 7 -9.249 2.916 -0.720 44 H GLN 8 H GLN 8 -5.610 0.584 0.428 45 HA GLN 8 HA GLN 8 -5.680 2.562 2.596 46 1HB GLN 8 2HB GLN 8 -4.857 -0.330 2.841 47 2HB GLN 8 1HB GLN 8 -5.087 0.820 4.148 48 1HG GLN 8 2HG GLN 8 -7.224 -0.293 2.348 49 2HG GLN 8 1HG GLN 8 -6.949 -0.703 4.040 50 1HE2 GLN 8 1HE2 GLN 8 -9.377 0.257 2.987 51 2HE2 GLN 8 2HE2 GLN 8 -9.702 1.793 3.706 52 HA PRO 9 HA PRO 9 -1.460 3.488 1.860 53 1HB PRO 9 2HB PRO 9 -0.447 3.733 4.391 54 2HB PRO 9 1HB PRO 9 -1.412 4.961 3.573 55 1HG PRO 9 2HG PRO 9 -2.240 2.947 5.614 56 2HG PRO 9 1HG PRO 9 -2.746 4.633 5.439 57 1HD PRO 9 2HD PRO 9 -4.285 2.556 4.651 58 2HD PRO 9 1HD PRO 9 -4.316 4.130 3.835 59 H CYS 10 H CYS 10 0.406 2.516 1.493 60 HA CYS 10 HA CYS 10 1.067 0.062 2.968 61 1HB CYS 10 2HB CYS 10 1.952 -0.832 0.750 62 2HB CYS 10 1HB CYS 10 0.205 -0.780 0.933 63 H SER 11 H SER 11 3.422 -0.605 2.058 64 HA SER 11 HA SER 11 5.109 1.777 1.891 65 1HB SER 11 2HB SER 11 4.748 0.611 4.314 66 2HB SER 11 1HB SER 11 6.129 -0.310 3.720 67 HG SER 11 HG SER 11 7.273 1.352 4.267 68 H LEU 12 H LEU 12 7.238 1.370 1.106 69 HA LEU 12 HA LEU 12 7.311 -0.638 -0.903 70 1HB LEU 12 2HB LEU 12 9.701 0.147 -1.203 71 2HB LEU 12 1HB LEU 12 8.438 1.333 -1.453 72 HG LEU 12 HG LEU 12 8.898 2.297 0.763 73 1HD1 LEU 12 1HD1 LEU 12 11.247 1.466 1.667 74 2HD1 LEU 12 2HD1 LEU 12 10.701 -0.048 0.947 75 3HD1 LEU 12 3HD1 LEU 12 9.728 0.736 2.192 76 1HD2 LEU 12 1HD2 LEU 12 11.003 2.080 -1.321 77 2HD2 LEU 12 2HD2 LEU 12 11.392 2.900 0.191 78 3HD2 LEU 12 3HD2 LEU 12 10.057 3.477 -0.807 79 H ASN 13 H ASN 13 8.274 -0.608 2.401 80 HA ASN 13 HA ASN 13 9.889 -3.025 1.995 81 1HB ASN 13 2HB ASN 13 10.792 -2.589 4.252 82 2HB ASN 13 1HB ASN 13 11.079 -1.247 3.148 83 1HD2 ASN 13 1HD2 ASN 13 8.922 -2.393 5.691 84 2HD2 ASN 13 2HD2 ASN 13 8.506 -0.826 6.290 85 H THR 14 H THR 14 6.782 -2.474 2.445 86 HA THR 14 HA THR 14 6.447 -4.421 4.614 87 HB THR 14 HB THR 14 4.094 -3.612 4.694 88 HG1 THR 14 1HG THR 14 4.020 -2.835 2.524 89 1HG2 THR 14 1HG2 THR 14 5.260 -2.505 6.313 90 2HG2 THR 14 2HG2 THR 14 4.712 -1.152 5.322 91 3HG2 THR 14 3HG2 THR 14 6.364 -1.752 5.162 92 H GLN 15 H GLN 15 4.110 -5.535 4.193 93 HA GLN 15 HA GLN 15 4.566 -7.387 2.112 94 1HB GLN 15 2HB GLN 15 1.891 -6.973 3.424 95 2HB GLN 15 1HB GLN 15 2.599 -8.463 2.825 96 1HG GLN 15 2HG GLN 15 3.386 -8.930 4.831 97 2HG GLN 15 1HG GLN 15 4.303 -7.426 4.847 98 1HE2 GLN 15 1HE2 GLN 15 3.982 -6.519 6.751 99 2HE2 GLN 15 2HE2 GLN 15 2.451 -6.279 7.515 100 HA PRO 16 HA PRO 16 2.653 -5.539 -1.420 101 1HB PRO 16 2HB PRO 16 1.294 -7.657 -2.509 102 2HB PRO 16 1HB PRO 16 3.037 -7.420 -2.670 103 1HG PRO 16 2HG PRO 16 1.531 -9.176 -0.774 104 2HG PRO 16 1HG PRO 16 3.015 -9.520 -1.680 105 1HD PRO 16 2HD PRO 16 3.067 -8.867 0.927 106 2HD PRO 16 1HD PRO 16 4.346 -8.349 -0.190 107 H CYS 17 H CYS 17 0.364 -5.598 -2.601 108 HA CYS 17 HA CYS 17 -1.556 -4.927 -0.521 109 1HB CYS 17 2HB CYS 17 -1.755 -4.538 -3.513 110 2HB CYS 17 1HB CYS 17 -2.844 -3.872 -2.301 111 H CYS 18 H CYS 18 -3.927 -5.389 -1.237 112 HA CYS 18 HA CYS 18 -4.113 -8.286 -1.665 113 1HB CYS 18 2HB CYS 18 -6.164 -6.402 -0.484 114 2HB CYS 18 1HB CYS 18 -6.260 -8.155 -0.519 115 H ASP 19 H ASP 19 -6.163 -9.015 -2.759 116 HA ASP 19 HA ASP 19 -7.375 -9.167 -4.682 117 1HB ASP 19 2HB ASP 19 -7.676 -6.187 -4.249 118 2HB ASP 19 1HB ASP 19 -8.674 -7.169 -5.317 119 H ASP 20 H ASP 20 -4.506 -8.709 -4.905 120 HA ASP 20 HA ASP 20 -2.948 -8.429 -6.528 121 1HB ASP 20 2HB ASP 20 -5.015 -9.423 -7.876 122 2HB ASP 20 1HB ASP 20 -4.985 -7.828 -8.621 123 H ALA 21 H ALA 21 -3.751 -6.198 -4.976 124 HA ALA 21 HA ALA 21 -3.928 -3.903 -6.716 125 1HB ALA 21 1HB ALA 21 -3.999 -4.380 -3.810 126 2HB ALA 21 2HB ALA 21 -4.961 -3.289 -4.805 127 3HB ALA 21 3HB ALA 21 -3.331 -2.828 -4.313 128 H THR 22 H THR 22 -2.315 -2.034 -6.108 129 HA THR 22 HA THR 22 0.415 -3.073 -5.913 130 HB THR 22 HB THR 22 -0.543 -1.158 -8.049 131 HG1 THR 22 1HG THR 22 -0.793 -2.864 -9.215 132 1HG2 THR 22 1HG2 THR 22 1.610 -1.062 -8.902 133 2HG2 THR 22 2HG2 THR 22 2.159 -2.428 -7.931 134 3HG2 THR 22 3HG2 THR 22 1.834 -0.875 -7.162 135 H CYS 23 H CYS 23 1.836 -1.748 -4.874 136 HA CYS 23 HA CYS 23 0.721 0.436 -3.361 137 1HB CYS 23 2HB CYS 23 2.498 -1.309 -2.614 138 2HB CYS 23 1HB CYS 23 3.644 -0.281 -3.465 139 H THR 24 H THR 24 0.474 2.383 -4.279 140 HA THR 24 HA THR 24 2.554 3.325 -6.131 141 HB THR 24 HB THR 24 -0.432 3.763 -6.185 142 HG1 THR 24 1HG THR 24 -0.110 2.043 -7.376 143 1HG2 THR 24 1HG2 THR 24 0.467 5.890 -6.768 144 2HG2 THR 24 2HG2 THR 24 -0.032 5.085 -8.255 145 3HG2 THR 24 3HG2 THR 24 1.675 5.153 -7.820 146 H GLN 25 H GLN 25 2.933 5.570 -6.214 147 HA GLN 25 HA GLN 25 3.002 6.825 -3.637 148 1HB GLN 25 2HB GLN 25 4.907 7.065 -5.091 149 2HB GLN 25 1HB GLN 25 3.902 7.704 -6.384 150 1HG GLN 25 2HG GLN 25 3.594 9.740 -5.294 151 2HG GLN 25 1HG GLN 25 4.142 9.096 -3.750 152 1HE2 GLN 25 1HE2 GLN 25 5.000 10.897 -6.403 153 2HE2 GLN 25 2HE2 GLN 25 6.717 10.868 -6.212 154 H GLU 26 H GLU 26 1.639 8.310 -2.859 155 HA GLU 26 HA GLU 26 -0.105 9.788 -4.676 156 1HB GLU 26 2HB GLU 26 -1.163 8.262 -2.293 157 2HB GLU 26 1HB GLU 26 -2.101 9.276 -3.378 158 1HG GLU 26 2HG GLU 26 -1.512 7.739 -5.236 159 2HG GLU 26 1HG GLU 26 -0.734 6.686 -4.056 160 H ARG 27 H ARG 27 -1.592 11.251 -3.116 161 HA ARG 27 HA ARG 27 0.291 12.585 -1.288 162 1HB ARG 27 2HB ARG 27 -1.950 13.720 -2.966 163 2HB ARG 27 1HB ARG 27 -1.065 14.641 -1.759 164 1HG ARG 27 2HG ARG 27 0.566 13.260 -3.789 165 2HG ARG 27 1HG ARG 27 -0.425 14.605 -4.358 166 1HD ARG 27 2HD ARG 27 0.562 16.036 -2.613 167 2HD ARG 27 1HD ARG 27 1.586 14.692 -2.111 168 HE ARG 27 HE ARG 27 1.897 15.257 -4.880 169 1HH1 ARG 27 1HH1 ARG 27 2.830 16.381 -1.701 170 2HH1 ARG 27 2HH1 ARG 27 4.295 17.115 -2.260 171 1HH2 ARG 27 1HH2 ARG 27 3.823 16.223 -5.604 172 2HH2 ARG 27 2HH2 ARG 27 4.858 17.026 -4.471 173 H ASN 28 H ASN 28 -0.434 13.304 0.714 174 HA ASN 28 HA ASN 28 -2.942 12.069 1.611 175 1HB ASN 28 2HB ASN 28 -2.026 12.205 3.871 176 2HB ASN 28 1HB ASN 28 -0.897 11.381 2.802 177 1HD2 ASN 28 1HD2 ASN 28 0.067 12.306 5.101 178 2HD2 ASN 28 2HD2 ASN 28 1.050 13.704 4.850 179 H GLU 29 H GLU 29 -3.604 13.427 3.805 180 HA GLU 29 HA GLU 29 -4.844 15.751 2.802 181 1HB GLU 29 2HB GLU 29 -4.526 14.595 5.559 182 2HB GLU 29 1HB GLU 29 -5.329 16.137 5.307 183 1HG GLU 29 2HG GLU 29 -6.216 13.798 3.704 184 2HG GLU 29 1HG GLU 29 -6.675 13.886 5.404 185 H ASN 30 H ASN 30 -1.853 15.213 4.520 186 HA ASN 30 HA ASN 30 -1.444 17.963 5.218 187 1HB ASN 30 2HB ASN 30 0.353 15.540 5.227 188 2HB ASN 30 1HB ASN 30 0.927 17.142 5.679 189 1HD2 ASN 30 1HD2 ASN 30 0.903 17.539 7.759 190 2HD2 ASN 30 2HD2 ASN 30 -0.167 16.839 8.922 191 H GLY 31 H GLY 31 -0.676 15.930 2.486 192 1HA GLY 31 2HA GLY 31 -0.327 16.972 0.340 193 2HA GLY 31 1HA GLY 31 0.489 18.290 1.161 194 H HIS 32 H HIS 32 1.558 15.487 2.595 195 HA HIS 32 HA HIS 32 4.053 15.621 1.124 196 1HB HIS 32 2HB HIS 32 3.250 14.902 3.792 197 2HB HIS 32 1HB HIS 32 4.183 13.587 3.088 198 HD1 HIS 32 1HD HIS 32 6.230 15.228 1.473 199 HD2 HIS 32 2HD HIS 32 5.119 16.070 5.387 200 HE1 HIS 32 1HE HIS 32 8.141 16.542 2.446 201 HE2 HIS 32 2HE HIS 32 7.410 17.112 4.789 202 H THR 33 H THR 33 5.120 13.687 0.325 203 HA THR 33 HA THR 33 3.392 12.111 -1.274 204 HB THR 33 HB THR 33 6.319 11.662 -0.665 205 HG1 THR 33 1HG THR 33 6.634 13.335 -1.861 206 1HG2 THR 33 1HG2 THR 33 6.471 10.375 -2.609 207 2HG2 THR 33 2HG2 THR 33 4.866 10.859 -3.158 208 3HG2 THR 33 3HG2 THR 33 5.036 9.774 -1.778 209 H VAL 34 H VAL 34 2.589 10.118 -1.012 210 HA VAL 34 HA VAL 34 3.485 8.492 1.258 211 HB VAL 34 HB VAL 34 1.068 7.918 1.714 212 1HG1 VAL 34 1HG1 VAL 34 2.627 9.689 2.900 213 2HG1 VAL 34 2HG1 VAL 34 0.934 9.500 3.356 214 3HG1 VAL 34 3HG1 VAL 34 1.417 10.814 2.284 215 1HG2 VAL 34 1HG2 VAL 34 0.597 10.396 0.059 216 2HG2 VAL 34 2HG2 VAL 34 -0.618 9.577 1.042 217 3HG2 VAL 34 3HG2 VAL 34 0.095 8.754 -0.346 218 H TYR 35 H TYR 35 2.271 6.290 1.137 219 HA TYR 35 HA TYR 35 2.128 5.447 -1.684 220 1HB TYR 35 2HB TYR 35 3.329 3.861 0.594 221 2HB TYR 35 1HB TYR 35 3.230 3.358 -1.088 222 HD1 TYR 35 1HD TYR 35 4.377 4.998 -2.806 223 HD2 TYR 35 2HD TYR 35 5.293 4.826 1.345 224 HE1 TYR 35 1HE TYR 35 6.564 6.027 -3.252 225 HE2 TYR 35 2HE TYR 35 7.484 5.856 0.910 226 HH TYR 35 HH TYR 35 8.834 6.087 -2.133 227 H TYR 36 H TYR 36 0.265 4.494 -2.217 228 HA TYR 36 HA TYR 36 -1.307 3.220 -0.076 229 1HB TYR 36 2HB TYR 36 -2.096 5.301 -2.033 230 2HB TYR 36 1HB TYR 36 -3.267 4.021 -1.735 231 HD1 TYR 36 1HD TYR 36 -0.997 6.231 0.260 232 HD2 TYR 36 2HD TYR 36 -4.839 4.444 -0.110 233 HE1 TYR 36 1HE TYR 36 -1.724 7.384 2.307 234 HE2 TYR 36 2HE TYR 36 -5.578 5.592 1.935 235 HH TYR 36 HH TYR 36 -4.188 8.142 3.216 236 H CYS 37 H CYS 37 -3.004 1.738 -0.923 237 HA CYS 37 HA CYS 37 -1.852 0.083 -3.061 238 1HB CYS 37 2HB CYS 37 -3.682 -0.498 -0.744 239 2HB CYS 37 1HB CYS 37 -3.598 -1.598 -2.109 240 H ARG 38 H ARG 38 -2.881 -0.301 -4.929 241 HA ARG 38 HA ARG 38 -5.662 0.600 -5.206 242 1HB ARG 38 2HB ARG 38 -3.412 1.122 -7.156 243 2HB ARG 38 1HB ARG 38 -5.107 1.488 -7.448 244 1HG ARG 38 2HG ARG 38 -3.676 2.635 -5.084 245 2HG ARG 38 1HG ARG 38 -3.544 3.377 -6.680 246 1HD ARG 38 2HD ARG 38 -6.216 3.048 -6.517 247 2HD ARG 38 1HD ARG 38 -5.824 3.277 -4.813 248 HE ARG 38 HE ARG 38 -4.534 5.257 -6.333 249 1HH1 ARG 38 1HH1 ARG 38 -7.751 4.342 -5.305 250 2HH1 ARG 38 2HH1 ARG 38 -8.356 5.963 -5.352 251 1HH2 ARG 38 1HH2 ARG 38 -5.338 7.382 -6.393 252 2HH2 ARG 38 2HH2 ARG 38 -6.989 7.687 -5.968 253 H ALA 39 H ALA 39 -6.957 -0.831 -6.126 254 HA ALA 39 HA ALA 39 -5.988 -3.404 -6.871 255 1HB ALA 39 1HB ALA 39 -8.363 -3.863 -7.443 256 2HB ALA 39 2HB ALA 39 -8.730 -2.172 -7.109 257 3HB ALA 39 3HB ALA 39 -8.139 -3.218 -5.818
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