NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610795 | 5mfy | 34068 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -25.635 -3.071 -0.966 2 H2 GLY 1 2H GLY 1 -25.416 -3.764 -2.495 3 H3 GLY 1 3H GLY 1 -24.848 -2.197 -2.189 4 HA2 GLY 1 1HA GLY 1 -23.026 -3.766 -2.194 5 HA3 GLY 1 2HA GLY 1 -23.247 -3.033 -0.611 6 H ALA 2 H ALA 2 -22.192 -4.748 0.387 7 HA ALA 2 HA ALA 2 -22.119 -6.622 1.648 8 HB1 ALA 2 1HB ALA 2 -24.440 -6.174 2.244 9 HB2 ALA 2 2HB ALA 2 -24.136 -7.906 2.113 10 HB3 ALA 2 3HB ALA 2 -24.982 -7.061 0.817 11 H MET 3 H MET 3 -24.066 -7.474 -1.230 12 HA MET 3 HA MET 3 -22.536 -9.956 -1.453 13 HB2 MET 3 1HB MET 3 -24.985 -9.024 -2.963 14 HB3 MET 3 2HB MET 3 -24.241 -10.610 -3.106 15 HG2 MET 3 1HG MET 3 -25.528 -9.459 -0.643 16 HG3 MET 3 2HG MET 3 -26.204 -10.701 -1.697 17 HE1 MET 3 1HE MET 3 -26.630 -12.272 0.399 18 HE2 MET 3 2HE MET 3 -25.974 -11.021 1.452 19 HE3 MET 3 3HE MET 3 -25.391 -12.680 1.585 20 H GLY 4 H GLY 4 -20.965 -7.827 -2.018 21 HA2 GLY 4 1HA GLY 4 -20.145 -8.385 -4.698 22 HA3 GLY 4 2HA GLY 4 -20.873 -6.790 -4.566 23 H THR 5 H THR 5 -18.673 -8.703 -2.531 24 HA THR 5 HA THR 5 -17.214 -6.421 -1.692 25 HB THR 5 HB THR 5 -15.563 -8.222 -0.866 26 HG1 THR 5 1HG THR 5 -16.505 -9.822 -2.402 27 HG21 THR 5 1HG2 THR 5 -17.216 -7.119 0.569 28 HG22 THR 5 2HG2 THR 5 -17.032 -8.820 0.994 29 HG23 THR 5 3HG2 THR 5 -18.434 -8.290 0.066 30 H LYS 6 H LYS 6 -16.262 -5.292 -3.299 31 HA LYS 6 HA LYS 6 -14.658 -6.706 -5.299 32 HB2 LYS 6 1HB LYS 6 -15.382 -3.775 -5.130 33 HB3 LYS 6 2HB LYS 6 -14.627 -4.586 -6.495 34 HG2 LYS 6 1HG LYS 6 -16.620 -5.912 -6.852 35 HG3 LYS 6 2HG LYS 6 -17.382 -5.184 -5.437 36 HD2 LYS 6 1HD LYS 6 -17.252 -2.982 -6.530 37 HD3 LYS 6 2HD LYS 6 -16.544 -3.746 -7.956 38 HE2 LYS 6 1HE LYS 6 -18.903 -3.406 -8.323 39 HE3 LYS 6 2HE LYS 6 -18.580 -5.133 -8.176 40 HZ1 LYS 6 1HZ LYS 6 -20.500 -4.690 -6.912 41 HZ2 LYS 6 2HZ LYS 6 -19.805 -3.334 -6.165 42 HZ3 LYS 6 3HZ LYS 6 -19.251 -4.888 -5.782 43 H TYR 7 H TYR 7 -14.406 -4.176 -2.847 44 HA TYR 7 HA TYR 7 -11.509 -4.658 -2.773 45 HB2 TYR 7 2HB TYR 7 -12.920 -1.996 -2.851 46 HB3 TYR 7 1HB TYR 7 -11.292 -2.170 -2.207 47 HD1 TYR 7 1HD TYR 7 -9.437 -2.827 -3.684 48 HD2 TYR 7 2HD TYR 7 -13.332 -2.077 -5.219 49 HE1 TYR 7 1HE TYR 7 -8.499 -2.636 -5.948 50 HE2 TYR 7 2HE TYR 7 -12.407 -1.886 -7.490 51 HH TYR 7 HH TYR 7 -10.088 -1.280 -8.504 52 H ALA 8 H ALA 8 -11.511 -5.848 -0.945 53 HA ALA 8 HA ALA 8 -12.895 -4.871 1.429 54 HB1 ALA 8 1HB ALA 8 -11.189 -7.333 1.060 55 HB2 ALA 8 2HB ALA 8 -12.947 -7.270 0.936 56 HB3 ALA 8 3HB ALA 8 -12.160 -6.940 2.480 57 H VAL 9 H VAL 9 -11.510 -5.118 3.526 58 HA VAL 9 HA VAL 9 -9.461 -3.174 3.398 59 HB VAL 9 HB VAL 9 -9.052 -3.767 5.805 60 HG11 VAL 9 1HG1 VAL 9 -10.660 -2.044 5.158 61 HG12 VAL 9 2HG1 VAL 9 -11.190 -2.905 6.602 62 HG13 VAL 9 3HG1 VAL 9 -11.925 -3.267 5.041 63 HG21 VAL 9 1HG2 VAL 9 -10.658 -5.279 6.905 64 HG22 VAL 9 2HG2 VAL 9 -9.640 -6.127 5.741 65 HG23 VAL 9 3HG2 VAL 9 -11.304 -5.719 5.324 66 HA PRO 10 HA PRO 10 -6.222 -6.016 2.206 67 HB2 PRO 10 2HB PRO 10 -4.247 -4.161 2.076 68 HB3 PRO 10 1HB PRO 10 -5.458 -4.367 0.807 69 HG2 PRO 10 2HG PRO 10 -5.322 -2.325 2.985 70 HG3 PRO 10 1HG PRO 10 -5.808 -2.133 1.290 71 HD2 PRO 10 2HD PRO 10 -7.583 -2.331 3.344 72 HD3 PRO 10 1HD PRO 10 -7.940 -2.854 1.687 73 H ASP 11 H ASP 11 -5.072 -7.282 3.502 74 HA ASP 11 HA ASP 11 -4.065 -6.148 6.001 75 HB2 ASP 11 1HB ASP 11 -3.955 -8.403 6.862 76 HB3 ASP 11 2HB ASP 11 -5.561 -8.112 6.231 77 H THR 12 H THR 12 -2.011 -5.731 6.130 78 HA THR 12 HA THR 12 -0.287 -6.232 3.933 79 HB THR 12 HB THR 12 1.442 -5.145 5.418 80 HG1 THR 12 1HG THR 12 -0.667 -4.451 7.152 81 HG21 THR 12 1HG2 THR 12 -1.217 -3.765 5.008 82 HG22 THR 12 2HG2 THR 12 0.114 -3.847 3.852 83 HG23 THR 12 3HG2 THR 12 0.306 -2.940 5.355 84 H SER 13 H SER 13 -1.305 -8.362 6.081 85 HA SER 13 HA SER 13 1.186 -9.727 6.635 86 HB2 SER 13 1HB SER 13 -1.652 -10.701 7.045 87 HB3 SER 13 2HB SER 13 -0.189 -11.318 7.817 88 HG SER 13 HG SER 13 0.010 -9.023 8.601 89 H THR 14 H THR 14 -1.085 -9.535 4.092 90 HA THR 14 HA THR 14 -0.163 -12.076 2.949 91 HB THR 14 HB THR 14 -1.794 -11.585 1.111 92 HG1 THR 14 1HG THR 14 -2.948 -9.623 2.786 93 HG21 THR 14 1HG2 THR 14 -2.923 -11.648 3.909 94 HG22 THR 14 2HG2 THR 14 -2.410 -13.043 2.959 95 HG23 THR 14 3HG2 THR 14 -3.797 -12.085 2.439 96 H TYR 15 H TYR 15 1.224 -9.294 3.250 97 HA TYR 15 HA TYR 15 1.799 -8.717 0.449 98 HB2 TYR 15 2HB TYR 15 2.527 -7.280 3.005 99 HB3 TYR 15 1HB TYR 15 3.160 -6.817 1.433 100 HD1 TYR 15 1HD TYR 15 -0.273 -8.046 1.781 101 HD2 TYR 15 2HD TYR 15 2.202 -4.595 1.563 102 HE1 TYR 15 1HE TYR 15 -2.259 -6.661 1.390 103 HE2 TYR 15 2HE TYR 15 0.214 -3.196 1.175 104 HH TYR 15 HH TYR 15 -2.188 -3.656 0.173 105 H GLN 16 H GLN 16 4.134 -8.177 -0.035 106 HA GLN 16 HA GLN 16 5.875 -10.256 1.130 107 HB2 GLN 16 1HB GLN 16 5.865 -9.219 -1.716 108 HB3 GLN 16 2HB GLN 16 6.938 -10.454 -1.073 109 HG2 GLN 16 1HG GLN 16 5.042 -11.934 -0.709 110 HG3 GLN 16 2HG GLN 16 3.945 -10.688 -1.309 111 HE21 GLN 16 1HE2 GLN 16 4.635 -11.236 -4.689 112 HE22 GLN 16 2HE2 GLN 16 3.924 -10.202 -3.498 113 H TYR 17 H TYR 17 7.187 -9.114 2.488 114 HA TYR 17 HA TYR 17 7.930 -6.433 2.024 115 HB2 TYR 17 2HB TYR 17 7.974 -7.317 4.279 116 HB3 TYR 17 1HB TYR 17 9.203 -8.497 3.831 117 HD1 TYR 17 1HD TYR 17 8.594 -4.839 4.131 118 HD2 TYR 17 2HD TYR 17 11.480 -7.959 3.991 119 HE1 TYR 17 1HE TYR 17 10.355 -3.230 4.730 120 HE2 TYR 17 2HE TYR 17 13.246 -6.359 4.586 121 HH TYR 17 HH TYR 17 12.644 -3.323 5.824 122 H ASP 18 H ASP 18 9.237 -5.696 0.537 123 HA ASP 18 HA ASP 18 11.296 -7.416 -0.622 124 HB2 ASP 18 1HB ASP 18 9.726 -5.987 -2.039 125 HB3 ASP 18 2HB ASP 18 10.591 -4.589 -1.419 126 H GLU 19 H GLU 19 13.149 -7.426 0.519 127 HA GLU 19 HA GLU 19 13.732 -5.366 2.411 128 HB2 GLU 19 1HB GLU 19 15.680 -6.675 2.969 129 HB3 GLU 19 2HB GLU 19 14.299 -7.731 2.750 130 HG2 GLU 19 1HG GLU 19 15.082 -8.405 0.581 131 HG3 GLU 19 2HG GLU 19 16.422 -7.262 0.681 132 H SER 20 H SER 20 14.626 -6.005 -0.847 133 HA SER 20 HA SER 20 17.009 -4.437 -0.859 134 HB2 SER 20 1HB SER 20 16.435 -6.321 -2.454 135 HB3 SER 20 2HB SER 20 15.303 -5.217 -3.231 136 HG SER 20 HG SER 20 18.062 -4.631 -2.876 137 H SER 21 H SER 21 13.622 -3.858 -1.282 138 HA SER 21 HA SER 21 14.132 -1.139 -2.261 139 HB2 SER 21 1HB SER 21 12.495 -2.618 -3.452 140 HB3 SER 21 2HB SER 21 11.492 -2.598 -2.005 141 HG SER 21 HG SER 21 11.155 -0.992 -3.852 142 H GLY 22 H GLY 22 12.805 -2.922 0.454 143 HA2 GLY 22 1HA GLY 22 12.817 -2.117 2.671 144 HA3 GLY 22 2HA GLY 22 12.953 -0.475 2.057 145 H TYR 23 H TYR 23 10.618 -2.303 0.443 146 HA TYR 23 HA TYR 23 8.471 -1.094 2.064 147 HB2 TYR 23 2HB TYR 23 8.713 -1.307 -0.938 148 HB3 TYR 23 1HB TYR 23 7.200 -0.937 -0.121 149 HD1 TYR 23 1HD TYR 23 6.907 1.190 1.038 150 HD2 TYR 23 2HD TYR 23 10.459 0.337 -1.133 151 HE1 TYR 23 1HE TYR 23 7.481 3.577 1.055 152 HE2 TYR 23 2HE TYR 23 11.050 2.722 -1.120 153 HH TYR 23 HH TYR 23 9.407 5.012 0.845 154 H TYR 24 H TYR 24 6.454 -2.232 2.063 155 HA TYR 24 HA TYR 24 6.671 -5.097 1.579 156 HB2 TYR 24 2HB TYR 24 4.546 -3.339 2.797 157 HB3 TYR 24 1HB TYR 24 4.224 -5.021 2.395 158 HD1 TYR 24 1HD TYR 24 5.118 -6.800 3.710 159 HD2 TYR 24 2HD TYR 24 6.144 -2.766 4.587 160 HE1 TYR 24 1HE TYR 24 6.024 -7.510 5.878 161 HE2 TYR 24 2HE TYR 24 7.063 -3.470 6.758 162 HH TYR 24 HH TYR 24 6.796 -5.336 8.353 163 H TYR 25 H TYR 25 6.258 -5.878 -0.401 164 HA TYR 25 HA TYR 25 4.967 -4.253 -2.368 165 HB2 TYR 25 2HB TYR 25 6.714 -5.733 -3.113 166 HB3 TYR 25 1HB TYR 25 5.886 -7.134 -2.437 167 HD1 TYR 25 1HD TYR 25 5.200 -4.355 -4.850 168 HD2 TYR 25 2HD TYR 25 4.724 -8.476 -3.906 169 HE1 TYR 25 1HE TYR 25 4.043 -4.704 -6.993 170 HE2 TYR 25 2HE TYR 25 3.574 -8.840 -6.047 171 HH TYR 25 HH TYR 25 3.582 -6.539 -8.556 172 H ASP 26 H ASP 26 2.920 -4.159 -2.876 173 HA ASP 26 HA ASP 26 1.034 -6.015 -1.629 174 HB2 ASP 26 1HB ASP 26 0.492 -3.774 -1.073 175 HB3 ASP 26 2HB ASP 26 0.761 -3.215 -2.718 176 HA PRO 27 HA PRO 27 0.587 -7.537 -5.910 177 HB2 PRO 27 2HB PRO 27 -0.259 -9.997 -5.145 178 HB3 PRO 27 1HB PRO 27 1.451 -9.567 -5.256 179 HG2 PRO 27 2HG PRO 27 -0.314 -9.704 -2.845 180 HG3 PRO 27 1HG PRO 27 1.363 -10.250 -3.040 181 HD2 PRO 27 2HD PRO 27 0.710 -7.906 -1.833 182 HD3 PRO 27 1HD PRO 27 2.218 -8.148 -2.730 183 H THR 28 H THR 28 -1.480 -7.029 -3.231 184 HA THR 28 HA THR 28 -3.893 -8.119 -4.237 185 HB THR 28 HB THR 28 -3.964 -5.749 -2.432 186 HG1 THR 28 1HG THR 28 -2.424 -6.606 -1.260 187 HG21 THR 28 1HG2 THR 28 -5.614 -7.111 -1.256 188 HG22 THR 28 2HG2 THR 28 -5.268 -8.473 -2.320 189 HG23 THR 28 3HG2 THR 28 -6.005 -7.009 -2.972 190 H THR 29 H THR 29 -2.549 -4.828 -4.222 191 HA THR 29 HA THR 29 -4.530 -4.091 -6.276 192 HB THR 29 HB THR 29 -3.005 -2.073 -4.665 193 HG1 THR 29 1HG THR 29 -3.972 -3.430 -3.130 194 HG21 THR 29 1HG2 THR 29 -5.757 -2.071 -5.911 195 HG22 THR 29 2HG2 THR 29 -4.318 -1.313 -6.592 196 HG23 THR 29 3HG2 THR 29 -5.002 -0.716 -5.080 197 H GLY 30 H GLY 30 -1.160 -3.812 -5.245 198 HA2 GLY 30 1HA GLY 30 0.533 -4.156 -7.017 199 HA3 GLY 30 2HA GLY 30 -0.457 -3.120 -8.042 200 H LEU 31 H LEU 31 0.362 -2.714 -4.647 201 HA LEU 31 HA LEU 31 1.689 -0.167 -5.349 202 HB2 LEU 31 1HB LEU 31 -0.222 -0.717 -3.081 203 HB3 LEU 31 2HB LEU 31 0.726 0.748 -3.229 204 HG LEU 31 HG LEU 31 -1.440 -0.179 -5.122 205 HD11 LEU 31 1HD1 LEU 31 -1.307 2.162 -3.233 206 HD12 LEU 31 2HD1 LEU 31 -2.282 0.707 -3.016 207 HD13 LEU 31 3HD1 LEU 31 -2.623 1.807 -4.353 208 HD21 LEU 31 1HD2 LEU 31 -1.103 1.955 -6.273 209 HD22 LEU 31 2HD2 LEU 31 0.342 0.946 -6.351 210 HD23 LEU 31 3HD2 LEU 31 0.274 2.302 -5.226 211 H TYR 32 H TYR 32 2.872 0.707 -3.327 212 HA TYR 32 HA TYR 32 4.255 -1.529 -2.007 213 HB2 TYR 32 2HB TYR 32 5.237 1.138 -2.972 214 HB3 TYR 32 1HB TYR 32 6.084 0.303 -1.677 215 HD1 TYR 32 1HD TYR 32 6.881 -2.084 -2.140 216 HD2 TYR 32 2HD TYR 32 5.668 0.599 -5.209 217 HE1 TYR 32 1HE TYR 32 8.118 -3.425 -3.786 218 HE2 TYR 32 2HE TYR 32 6.895 -0.737 -6.870 219 HH TYR 32 HH TYR 32 8.061 -3.842 -6.253 220 H TYR 33 H TYR 33 3.997 -1.683 0.112 221 HA TYR 33 HA TYR 33 2.693 0.503 1.530 222 HB2 TYR 33 2HB TYR 33 1.693 -1.669 1.829 223 HB3 TYR 33 1HB TYR 33 3.242 -2.372 2.279 224 HD1 TYR 33 1HD TYR 33 0.613 0.000 3.390 225 HD2 TYR 33 2HD TYR 33 3.984 -2.338 4.516 226 HE1 TYR 33 1HE TYR 33 0.126 0.449 5.762 227 HE2 TYR 33 2HE TYR 33 3.508 -1.898 6.886 228 HH TYR 33 HH TYR 33 2.337 -0.252 8.260 229 H ASP 34 H ASP 34 3.851 1.913 2.639 230 HA ASP 34 HA ASP 34 6.614 1.371 3.333 231 HB2 ASP 34 1HB ASP 34 5.806 3.628 2.537 232 HB3 ASP 34 2HB ASP 34 4.944 3.789 4.061 233 HA PRO 35 HA PRO 35 5.230 -0.434 7.213 234 HB2 PRO 35 2HB PRO 35 7.796 -0.804 8.174 235 HB3 PRO 35 1HB PRO 35 6.923 -1.955 7.156 236 HG2 PRO 35 2HG PRO 35 9.010 0.038 6.420 237 HG3 PRO 35 1HG PRO 35 8.730 -1.588 5.775 238 HD2 PRO 35 2HD PRO 35 8.021 0.654 4.442 239 HD3 PRO 35 1HD PRO 35 7.107 -0.862 4.315 240 H ASN 36 H ASN 36 7.301 2.320 6.789 241 HA ASN 36 HA ASN 36 7.444 2.847 9.640 242 HB2 ASN 36 1HB ASN 36 9.363 3.222 8.015 243 HB3 ASN 36 2HB ASN 36 8.458 4.606 7.407 244 HD21 ASN 36 1HD2 ASN 36 10.334 4.740 11.008 245 HD22 ASN 36 2HD2 ASN 36 10.096 3.241 10.163 246 H SER 37 H SER 37 6.161 4.411 6.731 247 HA SER 37 HA SER 37 4.797 6.421 8.322 248 HB2 SER 37 1HB SER 37 4.598 5.968 5.343 249 HB3 SER 37 2HB SER 37 4.295 7.462 6.233 250 HG SER 37 HG SER 37 6.743 6.202 5.626 251 H GLN 38 H GLN 38 4.141 3.378 6.934 252 HA GLN 38 HA GLN 38 2.349 2.018 6.871 253 HB2 GLN 38 1HB GLN 38 1.145 4.074 8.721 254 HB3 GLN 38 2HB GLN 38 0.386 2.537 8.322 255 HG2 GLN 38 1HG GLN 38 2.240 1.331 9.298 256 HG3 GLN 38 2HG GLN 38 3.082 2.844 9.629 257 HE21 GLN 38 1HE2 GLN 38 -0.386 2.507 11.726 258 HE22 GLN 38 2HE2 GLN 38 -0.363 2.368 10.003 259 H TYR 39 H TYR 39 2.722 4.036 4.875 260 HA TYR 39 HA TYR 39 -0.058 4.331 3.958 261 HB2 TYR 39 2HB TYR 39 2.317 6.131 3.453 262 HB3 TYR 39 1HB TYR 39 0.810 6.244 2.557 263 HD1 TYR 39 1HD TYR 39 -1.334 6.257 4.237 264 HD2 TYR 39 2HD TYR 39 2.572 7.671 5.145 265 HE1 TYR 39 1HE TYR 39 -2.276 7.720 5.967 266 HE2 TYR 39 2HE TYR 39 1.640 9.138 6.887 267 HH TYR 39 HH TYR 39 -0.396 10.161 7.545 268 H TYR 40 H TYR 40 -0.299 4.291 1.605 269 HA TYR 40 HA TYR 40 1.412 2.221 0.460 270 HB2 TYR 40 2HB TYR 40 -1.303 3.279 -0.334 271 HB3 TYR 40 1HB TYR 40 -0.408 2.092 -1.279 272 HD1 TYR 40 1HD TYR 40 -2.478 2.648 1.643 273 HD2 TYR 40 2HD TYR 40 0.065 -0.143 -0.318 274 HE1 TYR 40 1HE TYR 40 -3.379 0.844 3.051 275 HE2 TYR 40 2HE TYR 40 -0.829 -1.951 1.081 276 HH TYR 40 HH TYR 40 -3.608 -1.676 2.895 277 H TYR 41 H TYR 41 2.515 2.464 -1.398 278 HA TYR 41 HA TYR 41 2.807 5.218 -2.369 279 HB2 TYR 41 2HB TYR 41 4.788 4.445 -1.175 280 HB3 TYR 41 1HB TYR 41 4.849 2.992 -2.165 281 HD1 TYR 41 1HD TYR 41 4.823 6.708 -2.603 282 HD2 TYR 41 2HD TYR 41 6.346 2.957 -3.909 283 HE1 TYR 41 1HE TYR 41 6.291 7.868 -4.197 284 HE2 TYR 41 2HE TYR 41 7.819 4.102 -5.506 285 HH TYR 41 HH TYR 41 8.439 7.416 -5.379 286 H ASN 42 H ASN 42 2.105 5.503 -4.329 287 HA ASN 42 HA ASN 42 1.696 3.282 -6.146 288 HB2 ASN 42 1HB ASN 42 0.090 5.210 -5.951 289 HB3 ASN 42 2HB ASN 42 1.330 6.255 -6.630 290 HD21 ASN 42 1HD2 ASN 42 -1.118 4.900 -9.184 291 HD22 ASN 42 2HD2 ASN 42 -1.344 5.545 -7.597 292 H SER 43 H SER 43 3.353 2.526 -7.321 293 HA SER 43 HA SER 43 5.825 3.973 -7.382 294 HB2 SER 43 1HB SER 43 5.745 1.525 -7.144 295 HB3 SER 43 2HB SER 43 5.060 1.393 -8.762 296 HG SER 43 HG SER 43 7.024 2.530 -9.464 297 H LEU 44 H LEU 44 3.106 3.976 -9.397 298 HA LEU 44 HA LEU 44 4.606 4.614 -11.809 299 HB2 LEU 44 1HB LEU 44 2.623 3.215 -12.012 300 HB3 LEU 44 2HB LEU 44 1.640 4.467 -11.280 301 HG LEU 44 HG LEU 44 2.071 5.930 -13.221 302 HD11 LEU 44 1HD1 LEU 44 4.241 5.043 -13.882 303 HD12 LEU 44 2HD1 LEU 44 3.105 4.998 -15.229 304 HD13 LEU 44 3HD1 LEU 44 3.486 3.519 -14.350 305 HD21 LEU 44 1HD2 LEU 44 0.699 4.683 -14.826 306 HD22 LEU 44 2HD2 LEU 44 0.078 4.537 -13.182 307 HD23 LEU 44 3HD2 LEU 44 0.977 3.204 -13.906 308 H THR 45 H THR 45 2.351 6.207 -9.581 309 HA THR 45 HA THR 45 2.807 8.748 -10.960 310 HB THR 45 HB THR 45 0.865 8.371 -8.698 311 HG1 THR 45 1HG THR 45 0.259 7.845 -11.438 312 HG21 THR 45 1HG2 THR 45 1.216 10.638 -9.524 313 HG22 THR 45 2HG2 THR 45 -0.398 10.078 -9.961 314 HG23 THR 45 3HG2 THR 45 0.883 10.110 -11.173 315 H GLN 46 H GLN 46 3.996 7.026 -8.397 316 HA GLN 46 HA GLN 46 5.443 7.462 -6.721 317 HB2 GLN 46 1HB GLN 46 5.708 10.165 -8.049 318 HB3 GLN 46 2HB GLN 46 6.828 9.473 -6.882 319 HG2 GLN 46 1HG GLN 46 7.456 7.743 -8.414 320 HG3 GLN 46 2HG GLN 46 6.196 8.229 -9.550 321 HE21 GLN 46 1HE2 GLN 46 8.179 11.437 -9.942 322 HE22 GLN 46 2HE2 GLN 46 6.722 11.082 -9.083 323 H GLN 47 H GLN 47 2.638 7.988 -6.348 324 HA GLN 47 HA GLN 47 2.666 10.240 -4.456 325 HB2 GLN 47 1HB GLN 47 0.272 10.373 -4.734 326 HB3 GLN 47 2HB GLN 47 1.027 10.370 -6.319 327 HG2 GLN 47 1HG GLN 47 0.506 7.976 -6.535 328 HG3 GLN 47 2HG GLN 47 -0.303 8.036 -4.972 329 HE21 GLN 47 1HE2 GLN 47 -3.218 9.559 -6.168 330 HE22 GLN 47 2HE2 GLN 47 -2.251 9.178 -4.782 331 H TYR 48 H TYR 48 1.167 9.941 -2.567 332 HA TYR 48 HA TYR 48 1.438 7.212 -1.521 333 HB2 TYR 48 2HB TYR 48 1.776 9.882 -0.216 334 HB3 TYR 48 1HB TYR 48 1.272 8.501 0.753 335 HD1 TYR 48 1HD TYR 48 2.833 6.940 1.509 336 HD2 TYR 48 2HD TYR 48 3.944 9.689 -1.543 337 HE1 TYR 48 1HE TYR 48 5.159 6.195 1.703 338 HE2 TYR 48 2HE TYR 48 6.289 8.957 -1.348 339 HH TYR 48 HH TYR 48 7.758 7.878 0.323 340 H LEU 49 H LEU 49 -0.225 6.290 -0.450 341 HA LEU 49 HA LEU 49 -2.823 7.670 -0.534 342 HB2 LEU 49 1HB LEU 49 -2.262 4.917 -1.645 343 HB3 LEU 49 2HB LEU 49 -3.839 5.671 -1.541 344 HG LEU 49 HG LEU 49 -1.634 6.952 -3.126 345 HD11 LEU 49 1HD1 LEU 49 -2.492 5.826 -5.114 346 HD12 LEU 49 2HD1 LEU 49 -3.578 4.866 -4.107 347 HD13 LEU 49 3HD1 LEU 49 -1.831 4.671 -3.957 348 HD21 LEU 49 1HD2 LEU 49 -4.641 7.025 -3.311 349 HD22 LEU 49 2HD2 LEU 49 -3.515 7.917 -4.335 350 HD23 LEU 49 3HD2 LEU 49 -3.614 8.278 -2.611 351 H TYR 50 H TYR 50 -4.489 6.490 0.695 352 HA TYR 50 HA TYR 50 -3.489 4.451 2.541 353 HB2 TYR 50 2HB TYR 50 -4.425 5.509 4.483 354 HB3 TYR 50 1HB TYR 50 -3.395 6.694 3.690 355 HD1 TYR 50 1HD TYR 50 -6.776 5.842 4.692 356 HD2 TYR 50 2HD TYR 50 -4.414 8.592 2.466 357 HE1 TYR 50 1HE TYR 50 -8.660 7.417 4.655 358 HE2 TYR 50 2HE TYR 50 -6.288 10.178 2.427 359 HH TYR 50 HH TYR 50 -9.002 9.875 4.413 360 H TRP 51 H TRP 51 -5.241 3.187 3.481 361 HA TRP 51 HA TRP 51 -7.426 2.918 1.579 362 HB2 TRP 51 2HB TRP 51 -6.253 0.896 2.196 363 HB3 TRP 51 1HB TRP 51 -6.542 1.202 3.904 364 HD1 TRP 51 1HD TRP 51 -8.734 0.246 4.921 365 HE1 TRP 51 1HE TRP 51 -10.755 -1.044 3.974 366 HE3 TRP 51 3HE TRP 51 -7.754 0.748 -0.071 367 HZ2 TRP 51 2HZ TRP 51 -11.790 -1.745 1.457 368 HZ3 TRP 51 3HZ TRP 51 -9.314 -0.260 -1.682 369 HH2 TRP 51 2HH TRP 51 -11.290 -1.479 -0.932 370 H ASP 52 H ASP 52 -9.375 3.737 1.905 371 HA ASP 52 HA ASP 52 -10.202 4.395 4.649 372 HB2 ASP 52 1HB ASP 52 -10.349 6.258 3.043 373 HB3 ASP 52 2HB ASP 52 -11.399 5.288 2.012 374 H GLY 53 H GLY 53 -11.698 3.185 5.624 375 HA2 GLY 53 1HA GLY 53 -12.460 0.731 4.384 376 HA3 GLY 53 2HA GLY 53 -12.892 1.259 6.000 377 H GLU 54 H GLU 54 -14.003 3.800 4.658 378 HA GLU 54 HA GLU 54 -16.664 2.687 4.367 379 HB2 GLU 54 1HB GLU 54 -16.322 4.695 5.740 380 HB3 GLU 54 2HB GLU 54 -15.730 5.561 4.329 381 HG2 GLU 54 1HG GLU 54 -18.033 6.149 4.834 382 HG3 GLU 54 2HG GLU 54 -17.907 5.353 3.265 383 H LYS 55 H LYS 55 -14.467 4.734 2.461 384 HA LYS 55 HA LYS 55 -16.197 4.764 0.176 385 HB2 LYS 55 1HB LYS 55 -13.264 5.472 0.381 386 HB3 LYS 55 2HB LYS 55 -14.319 5.858 -0.970 387 HG2 LYS 55 1HG LYS 55 -15.656 7.293 0.470 388 HG3 LYS 55 2HG LYS 55 -14.619 6.891 1.841 389 HD2 LYS 55 1HD LYS 55 -12.699 7.857 0.653 390 HD3 LYS 55 2HD LYS 55 -13.757 8.283 -0.695 391 HE2 LYS 55 1HE LYS 55 -15.090 9.679 0.853 392 HE3 LYS 55 2HE LYS 55 -13.936 9.311 2.133 393 HZ1 LYS 55 1HZ LYS 55 -12.200 10.375 0.849 394 HZ2 LYS 55 2HZ LYS 55 -13.486 11.450 1.092 395 HZ3 LYS 55 3HZ LYS 55 -13.287 10.697 -0.414 396 H GLU 56 H GLU 56 -13.905 2.576 1.393 397 HA GLU 56 HA GLU 56 -12.906 0.696 0.632 398 HB2 GLU 56 1HB GLU 56 -15.220 0.748 -1.316 399 HB3 GLU 56 2HB GLU 56 -14.149 -0.627 -1.071 400 HG2 GLU 56 1HG GLU 56 -14.860 -0.774 1.258 401 HG3 GLU 56 2HG GLU 56 -15.925 0.610 1.022 402 H THR 57 H THR 57 -11.597 2.852 -0.141 403 HA THR 57 HA THR 57 -10.422 2.084 -2.660 404 HB THR 57 HB THR 57 -12.314 3.581 -3.330 405 HG1 THR 57 1HG THR 57 -10.865 5.056 -4.549 406 HG21 THR 57 1HG2 THR 57 -12.127 5.988 -2.875 407 HG22 THR 57 2HG2 THR 57 -10.747 5.680 -1.824 408 HG23 THR 57 3HG2 THR 57 -12.340 5.065 -1.389 409 H TYR 58 H TYR 58 -8.545 3.597 -3.174 410 HA TYR 58 HA TYR 58 -7.168 4.258 -0.668 411 HB2 TYR 58 2HB TYR 58 -6.062 3.863 -3.461 412 HB3 TYR 58 1HB TYR 58 -5.103 4.234 -2.034 413 HD1 TYR 58 1HD TYR 58 -4.718 2.543 -0.317 414 HD2 TYR 58 2HD TYR 58 -6.978 1.642 -3.812 415 HE1 TYR 58 1HE TYR 58 -4.492 0.139 0.159 416 HE2 TYR 58 2HE TYR 58 -6.756 -0.759 -3.342 417 HH TYR 58 HH TYR 58 -5.291 -2.264 -2.129 418 H VAL 59 H VAL 59 -7.053 6.302 -0.100 419 HA VAL 59 HA VAL 59 -7.498 8.393 -2.139 420 HB VAL 59 HB VAL 59 -7.649 9.054 0.749 421 HG11 VAL 59 1HG1 VAL 59 -9.501 10.470 0.012 422 HG12 VAL 59 2HG1 VAL 59 -9.349 9.809 -1.615 423 HG13 VAL 59 3HG1 VAL 59 -8.034 10.759 -0.923 424 HG21 VAL 59 1HG2 VAL 59 -8.834 6.933 0.748 425 HG22 VAL 59 2HG2 VAL 59 -9.825 7.467 -0.610 426 HG23 VAL 59 3HG2 VAL 59 -9.969 8.265 0.956 427 HA PRO 60 HA PRO 60 -3.311 9.777 -1.679 428 HB2 PRO 60 2HB PRO 60 -4.454 12.514 -1.675 429 HB3 PRO 60 1HB PRO 60 -3.221 11.807 -2.721 430 HG2 PRO 60 2HG PRO 60 -5.718 12.247 -3.584 431 HG3 PRO 60 1HG PRO 60 -4.765 10.859 -4.133 432 HD2 PRO 60 2HD PRO 60 -7.028 10.971 -2.216 433 HD3 PRO 60 1HD PRO 60 -6.553 9.681 -3.338 434 H ALA 61 H ALA 61 -2.228 9.755 0.137 435 HA ALA 61 HA ALA 61 -3.421 10.412 2.646 436 HB1 ALA 61 1HB ALA 61 -0.576 9.681 1.969 437 HB2 ALA 61 2HB ALA 61 -1.856 8.573 2.463 438 HB3 ALA 61 3HB ALA 61 -1.247 9.777 3.596 439 H ALA 62 H ALA 62 -1.228 12.025 0.460 440 HA ALA 62 HA ALA 62 -0.557 14.144 2.267 441 HB1 ALA 62 1HB ALA 62 0.406 15.240 0.307 442 HB2 ALA 62 2HB ALA 62 -0.345 14.041 -0.747 443 HB3 ALA 62 3HB ALA 62 0.913 13.552 0.388 444 H GLU 63 H GLU 63 -2.507 14.883 3.060 445 HA GLU 63 HA GLU 63 -4.775 15.453 1.498 446 HB2 GLU 63 1HB GLU 63 -4.010 16.476 4.238 447 HB3 GLU 63 2HB GLU 63 -5.610 16.620 3.516 448 HG2 GLU 63 1HG GLU 63 -5.817 14.203 3.443 449 HG3 GLU 63 2HG GLU 63 -4.194 14.029 4.104 450 H SER 64 H SER 64 -4.238 16.698 -0.212 451 HA SER 64 HA SER 64 -4.250 19.522 0.221 452 HB2 SER 64 1HB SER 64 -2.171 19.753 -1.345 453 HB3 SER 64 2HB SER 64 -1.916 19.446 0.374 454 HG SER 64 HG SER 64 -2.046 17.091 -0.504 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -9.928 -14.376 -7.390 2 H2 GLY 1 2H GLY 1 -11.365 -14.839 -8.163 3 H3 GLY 1 3H GLY 1 -10.577 -15.918 -7.121 4 HA2 GLY 1 1HA GLY 1 -11.021 -14.509 -5.233 5 HA3 GLY 1 2HA GLY 1 -11.794 -13.342 -6.298 6 H ALA 2 H ALA 2 -12.768 -15.049 -3.986 7 HA ALA 2 HA ALA 2 -15.240 -15.873 -5.296 8 HB1 ALA 2 1HB ALA 2 -13.704 -17.748 -3.499 9 HB2 ALA 2 2HB ALA 2 -13.854 -17.905 -5.250 10 HB3 ALA 2 3HB ALA 2 -15.283 -18.051 -4.225 11 H MET 3 H MET 3 -13.488 -15.740 -2.200 12 HA MET 3 HA MET 3 -15.997 -14.885 -0.911 13 HB2 MET 3 1HB MET 3 -13.549 -16.185 0.303 14 HB3 MET 3 2HB MET 3 -14.949 -15.635 1.212 15 HG2 MET 3 1HG MET 3 -16.355 -17.237 -0.004 16 HG3 MET 3 2HG MET 3 -14.934 -17.799 -0.883 17 HE1 MET 3 1HE MET 3 -15.527 -18.318 3.670 18 HE2 MET 3 2HE MET 3 -16.707 -17.547 2.608 19 HE3 MET 3 3HE MET 3 -15.158 -16.761 2.926 20 H GLY 4 H GLY 4 -15.956 -12.720 -1.116 21 HA2 GLY 4 1HA GLY 4 -14.928 -10.968 0.551 22 HA3 GLY 4 2HA GLY 4 -13.514 -11.250 -0.456 23 H THR 5 H THR 5 -14.516 -8.726 -0.312 24 HA THR 5 HA THR 5 -16.313 -8.265 -2.525 25 HB THR 5 HB THR 5 -15.843 -5.833 -1.987 26 HG1 THR 5 1HG THR 5 -14.682 -5.385 -0.131 27 HG21 THR 5 1HG2 THR 5 -16.842 -7.587 0.259 28 HG22 THR 5 2HG2 THR 5 -17.800 -6.985 -1.093 29 HG23 THR 5 3HG2 THR 5 -17.144 -5.859 0.095 30 H LYS 6 H LYS 6 -15.403 -6.121 -3.858 31 HA LYS 6 HA LYS 6 -13.397 -7.106 -5.587 32 HB2 LYS 6 1HB LYS 6 -14.321 -4.252 -5.179 33 HB3 LYS 6 2HB LYS 6 -13.370 -4.827 -6.540 34 HG2 LYS 6 1HG LYS 6 -15.186 -6.193 -7.308 35 HG3 LYS 6 2HG LYS 6 -16.133 -5.811 -5.868 36 HD2 LYS 6 1HD LYS 6 -16.919 -4.470 -7.713 37 HD3 LYS 6 2HD LYS 6 -16.113 -3.427 -6.541 38 HE2 LYS 6 1HE LYS 6 -14.070 -3.512 -7.933 39 HE3 LYS 6 2HE LYS 6 -14.953 -4.469 -9.123 40 HZ1 LYS 6 1HZ LYS 6 -15.009 -2.232 -9.842 41 HZ2 LYS 6 2HZ LYS 6 -15.468 -1.661 -8.313 42 HZ3 LYS 6 3HZ LYS 6 -16.561 -2.571 -9.241 43 H TYR 7 H TYR 7 -13.310 -4.488 -3.195 44 HA TYR 7 HA TYR 7 -10.477 -5.094 -2.726 45 HB2 TYR 7 2HB TYR 7 -11.672 -2.332 -3.064 46 HB3 TYR 7 1HB TYR 7 -10.040 -2.649 -2.489 47 HD1 TYR 7 1HD TYR 7 -8.361 -3.643 -4.038 48 HD2 TYR 7 2HD TYR 7 -12.204 -2.405 -5.385 49 HE1 TYR 7 1HE TYR 7 -7.552 -3.675 -6.360 50 HE2 TYR 7 2HE TYR 7 -11.404 -2.434 -7.709 51 HH TYR 7 HH TYR 7 -8.484 -3.895 -8.628 52 H ALA 8 H ALA 8 -10.709 -6.010 -0.759 53 HA ALA 8 HA ALA 8 -12.437 -4.750 1.223 54 HB1 ALA 8 1HB ALA 8 -12.579 -7.176 0.957 55 HB2 ALA 8 2HB ALA 8 -12.021 -6.740 2.572 56 HB3 ALA 8 3HB ALA 8 -10.871 -7.323 1.368 57 H VAL 9 H VAL 9 -11.365 -4.983 3.564 58 HA VAL 9 HA VAL 9 -9.273 -3.092 3.651 59 HB VAL 9 HB VAL 9 -9.151 -3.713 6.108 60 HG11 VAL 9 1HG1 VAL 9 -11.853 -3.000 4.984 61 HG12 VAL 9 2HG1 VAL 9 -10.519 -1.878 5.252 62 HG13 VAL 9 3HG1 VAL 9 -11.291 -2.674 6.624 63 HG21 VAL 9 1HG2 VAL 9 -11.451 -5.494 5.320 64 HG22 VAL 9 2HG2 VAL 9 -11.014 -5.080 6.978 65 HG23 VAL 9 3HG2 VAL 9 -9.900 -6.014 5.978 66 HA PRO 10 HA PRO 10 -6.077 -5.868 2.456 67 HB2 PRO 10 2HB PRO 10 -4.004 -4.125 2.829 68 HB3 PRO 10 1HB PRO 10 -5.061 -4.129 1.415 69 HG2 PRO 10 2HG PRO 10 -5.127 -2.376 3.830 70 HG3 PRO 10 1HG PRO 10 -5.420 -1.965 2.131 71 HD2 PRO 10 2HD PRO 10 -7.422 -2.304 3.915 72 HD3 PRO 10 1HD PRO 10 -7.595 -2.702 2.196 73 H ASP 11 H ASP 11 -5.074 -7.392 3.459 74 HA ASP 11 HA ASP 11 -4.162 -7.028 6.216 75 HB2 ASP 11 1HB ASP 11 -4.411 -9.564 4.577 76 HB3 ASP 11 2HB ASP 11 -3.962 -9.472 6.273 77 H THR 12 H THR 12 -2.073 -6.647 6.536 78 HA THR 12 HA THR 12 -0.286 -6.495 4.338 79 HB THR 12 HB THR 12 1.402 -5.903 6.130 80 HG1 THR 12 1HG THR 12 0.770 -6.663 8.030 81 HG21 THR 12 1HG2 THR 12 -1.228 -4.423 5.982 82 HG22 THR 12 2HG2 THR 12 0.194 -4.174 4.966 83 HG23 THR 12 3HG2 THR 12 0.251 -3.755 6.679 84 H SER 13 H SER 13 -1.175 -9.055 6.349 85 HA SER 13 HA SER 13 1.235 -10.553 6.346 86 HB2 SER 13 1HB SER 13 -0.593 -11.050 7.894 87 HB3 SER 13 2HB SER 13 -1.648 -11.467 6.546 88 HG SER 13 HG SER 13 0.809 -12.811 7.019 89 H THR 14 H THR 14 -1.040 -9.831 3.879 90 HA THR 14 HA THR 14 -0.229 -12.149 2.291 91 HB THR 14 HB THR 14 -1.920 -11.398 0.651 92 HG1 THR 14 1HG THR 14 -2.339 -9.314 2.555 93 HG21 THR 14 1HG2 THR 14 -3.908 -11.845 2.033 94 HG22 THR 14 2HG2 THR 14 -2.938 -11.612 3.487 95 HG23 THR 14 3HG2 THR 14 -2.589 -12.956 2.399 96 H TYR 15 H TYR 15 1.243 -9.459 2.977 97 HA TYR 15 HA TYR 15 1.762 -8.469 0.288 98 HB2 TYR 15 2HB TYR 15 2.656 -7.532 3.012 99 HB3 TYR 15 1HB TYR 15 3.234 -6.817 1.513 100 HD1 TYR 15 1HD TYR 15 2.262 -4.779 2.854 101 HD2 TYR 15 2HD TYR 15 -0.106 -7.820 1.064 102 HE1 TYR 15 1HE TYR 15 0.334 -3.256 2.830 103 HE2 TYR 15 2HE TYR 15 -2.042 -6.309 1.038 104 HH TYR 15 HH TYR 15 -1.861 -3.134 1.270 105 H GLN 16 H GLN 16 3.987 -8.064 -0.366 106 HA GLN 16 HA GLN 16 5.838 -10.165 0.586 107 HB2 GLN 16 1HB GLN 16 5.730 -8.871 -2.145 108 HB3 GLN 16 2HB GLN 16 6.845 -10.129 -1.642 109 HG2 GLN 16 1HG GLN 16 4.976 -11.688 -1.406 110 HG3 GLN 16 2HG GLN 16 3.862 -10.414 -1.914 111 HE21 GLN 16 1HE2 GLN 16 4.220 -11.775 -5.116 112 HE22 GLN 16 2HE2 GLN 16 3.202 -11.613 -3.722 113 H TYR 17 H TYR 17 7.211 -9.094 1.971 114 HA TYR 17 HA TYR 17 7.815 -6.349 1.723 115 HB2 TYR 17 2HB TYR 17 8.098 -7.607 3.846 116 HB3 TYR 17 1HB TYR 17 9.478 -8.446 3.138 117 HD1 TYR 17 1HD TYR 17 8.251 -4.962 3.685 118 HD2 TYR 17 2HD TYR 17 11.591 -7.592 3.571 119 HE1 TYR 17 1HE TYR 17 9.716 -3.120 4.391 120 HE2 TYR 17 2HE TYR 17 13.068 -5.758 4.278 121 HH TYR 17 HH TYR 17 13.161 -3.374 4.320 122 H ASP 18 H ASP 18 8.850 -5.435 0.134 123 HA ASP 18 HA ASP 18 10.841 -6.892 -1.402 124 HB2 ASP 18 1HB ASP 18 9.071 -5.320 -2.403 125 HB3 ASP 18 2HB ASP 18 10.036 -4.003 -1.752 126 H GLU 19 H GLU 19 12.641 -7.086 -0.161 127 HA GLU 19 HA GLU 19 13.521 -5.101 1.660 128 HB2 GLU 19 1HB GLU 19 15.469 -6.527 1.971 129 HB3 GLU 19 2HB GLU 19 13.992 -7.472 1.943 130 HG2 GLU 19 1HG GLU 19 14.431 -8.144 -0.348 131 HG3 GLU 19 2HG GLU 19 15.911 -7.185 -0.345 132 H SER 20 H SER 20 13.918 -5.515 -1.675 133 HA SER 20 HA SER 20 16.365 -3.977 -1.838 134 HB2 SER 20 1HB SER 20 15.852 -5.889 -3.373 135 HB3 SER 20 2HB SER 20 14.553 -4.925 -4.069 136 HG SER 20 HG SER 20 16.102 -4.292 -5.370 137 H SER 21 H SER 21 13.011 -3.387 -1.706 138 HA SER 21 HA SER 21 13.407 -0.673 -2.785 139 HB2 SER 21 1HB SER 21 11.608 -1.936 -3.872 140 HB3 SER 21 2HB SER 21 10.835 -2.205 -2.311 141 HG SER 21 HG SER 21 10.310 -0.266 -3.888 142 H GLY 22 H GLY 22 12.450 -2.529 0.011 143 HA2 GLY 22 1HA GLY 22 12.795 -1.795 2.228 144 HA3 GLY 22 2HA GLY 22 12.783 -0.132 1.661 145 H TYR 23 H TYR 23 10.286 -1.984 0.348 146 HA TYR 23 HA TYR 23 8.385 -1.083 2.400 147 HB2 TYR 23 2HB TYR 23 8.054 -0.712 -0.585 148 HB3 TYR 23 1HB TYR 23 6.836 -0.342 0.629 149 HD1 TYR 23 1HD TYR 23 9.283 1.049 -1.408 150 HD2 TYR 23 2HD TYR 23 7.756 1.288 2.556 151 HE1 TYR 23 1HE TYR 23 10.193 3.323 -1.197 152 HE2 TYR 23 2HE TYR 23 8.661 3.559 2.776 153 HH TYR 23 HH TYR 23 9.730 5.379 0.169 154 H TYR 24 H TYR 24 6.354 -2.212 2.373 155 HA TYR 24 HA TYR 24 6.566 -4.974 1.563 156 HB2 TYR 24 2HB TYR 24 4.425 -3.357 2.932 157 HB3 TYR 24 1HB TYR 24 4.140 -5.015 2.420 158 HD1 TYR 24 1HD TYR 24 5.852 -2.862 4.833 159 HD2 TYR 24 2HD TYR 24 5.296 -6.862 3.498 160 HE1 TYR 24 1HE TYR 24 6.828 -3.695 6.933 161 HE2 TYR 24 2HE TYR 24 6.268 -7.706 5.587 162 HH TYR 24 HH TYR 24 6.678 -5.833 8.317 163 H TYR 25 H TYR 25 6.107 -5.641 -0.446 164 HA TYR 25 HA TYR 25 4.699 -3.922 -2.260 165 HB2 TYR 25 2HB TYR 25 6.497 -5.248 -3.154 166 HB3 TYR 25 1HB TYR 25 5.762 -6.734 -2.565 167 HD1 TYR 25 1HD TYR 25 4.945 -3.843 -4.790 168 HD2 TYR 25 2HD TYR 25 4.565 -8.020 -4.067 169 HE1 TYR 25 1HE TYR 25 3.765 -4.104 -6.933 170 HE2 TYR 25 2HE TYR 25 3.383 -8.291 -6.206 171 HH TYR 25 HH TYR 25 3.368 -5.980 -8.605 172 H ASP 26 H ASP 26 2.621 -3.773 -2.424 173 HA ASP 26 HA ASP 26 0.798 -5.789 -1.429 174 HB2 ASP 26 1HB ASP 26 0.252 -3.254 -3.010 175 HB3 ASP 26 2HB ASP 26 -0.963 -4.262 -2.243 176 HA PRO 27 HA PRO 27 1.057 -7.583 -5.597 177 HB2 PRO 27 2HB PRO 27 0.005 -10.022 -4.477 178 HB3 PRO 27 1HB PRO 27 1.640 -9.702 -5.050 179 HG2 PRO 27 2HG PRO 27 0.999 -10.143 -2.419 180 HG3 PRO 27 1HG PRO 27 2.414 -9.227 -2.963 181 HD2 PRO 27 2HD PRO 27 -0.224 -8.220 -1.975 182 HD3 PRO 27 1HD PRO 27 1.412 -7.602 -1.651 183 H THR 28 H THR 28 -1.483 -7.203 -3.391 184 HA THR 28 HA THR 28 -3.609 -8.300 -4.948 185 HB THR 28 HB THR 28 -4.992 -6.882 -3.278 186 HG1 THR 28 1HG THR 28 -3.821 -6.118 -1.518 187 HG21 THR 28 1HG2 THR 28 -4.694 -9.299 -3.076 188 HG22 THR 28 2HG2 THR 28 -4.613 -8.530 -1.491 189 HG23 THR 28 3HG2 THR 28 -3.134 -9.052 -2.295 190 H THR 29 H THR 29 -2.524 -4.977 -4.244 191 HA THR 29 HA THR 29 -4.327 -4.021 -6.357 192 HB THR 29 HB THR 29 -2.931 -2.312 -4.294 193 HG1 THR 29 1HG THR 29 -5.508 -3.540 -4.184 194 HG21 THR 29 1HG2 THR 29 -5.391 -1.860 -5.993 195 HG22 THR 29 2HG2 THR 29 -3.805 -1.133 -6.255 196 HG23 THR 29 3HG2 THR 29 -4.732 -0.731 -4.811 197 H GLY 30 H GLY 30 -0.970 -4.245 -5.455 198 HA2 GLY 30 1HA GLY 30 0.815 -4.042 -7.001 199 HA3 GLY 30 2HA GLY 30 -0.208 -3.028 -8.012 200 H LEU 31 H LEU 31 0.510 -2.802 -4.558 201 HA LEU 31 HA LEU 31 1.595 -0.094 -5.020 202 HB2 LEU 31 1HB LEU 31 -0.316 -0.985 -2.854 203 HB3 LEU 31 2HB LEU 31 0.487 0.573 -2.883 204 HG LEU 31 HG LEU 31 -1.527 -0.430 -4.899 205 HD11 LEU 31 1HD1 LEU 31 -2.531 0.176 -2.778 206 HD12 LEU 31 2HD1 LEU 31 -2.922 1.380 -4.006 207 HD13 LEU 31 3HD1 LEU 31 -1.686 1.723 -2.798 208 HD21 LEU 31 1HD2 LEU 31 0.155 0.975 -5.972 209 HD22 LEU 31 2HD2 LEU 31 -0.085 2.218 -4.747 210 HD23 LEU 31 3HD2 LEU 31 -1.389 1.820 -5.866 211 H TYR 32 H TYR 32 2.381 0.594 -2.575 212 HA TYR 32 HA TYR 32 3.853 -1.653 -1.414 213 HB2 TYR 32 2HB TYR 32 4.963 0.982 -2.356 214 HB3 TYR 32 1HB TYR 32 5.748 0.095 -1.061 215 HD1 TYR 32 1HD TYR 32 6.852 -2.043 -1.514 216 HD2 TYR 32 2HD TYR 32 5.036 0.202 -4.637 217 HE1 TYR 32 1HE TYR 32 8.060 -3.389 -3.176 218 HE2 TYR 32 2HE TYR 32 6.236 -1.141 -6.309 219 HH TYR 32 HH TYR 32 7.845 -4.034 -5.550 220 H TYR 33 H TYR 33 3.426 -1.764 0.690 221 HA TYR 33 HA TYR 33 2.373 0.556 2.093 222 HB2 TYR 33 2HB TYR 33 1.227 -1.521 2.501 223 HB3 TYR 33 1HB TYR 33 2.734 -2.339 2.896 224 HD1 TYR 33 1HD TYR 33 0.259 0.131 4.092 225 HD2 TYR 33 2HD TYR 33 3.673 -2.208 5.089 226 HE1 TYR 33 1HE TYR 33 -0.079 0.653 6.472 227 HE2 TYR 33 2HE TYR 33 3.340 -1.694 7.464 228 HH TYR 33 HH TYR 33 0.515 -0.363 8.687 229 H ASP 34 H ASP 34 3.650 1.910 3.140 230 HA ASP 34 HA ASP 34 6.365 1.125 3.824 231 HB2 ASP 34 1HB ASP 34 6.025 3.385 2.924 232 HB3 ASP 34 2HB ASP 34 4.922 3.755 4.242 233 HA PRO 35 HA PRO 35 4.948 -0.247 7.856 234 HB2 PRO 35 2HB PRO 35 7.534 -0.595 8.795 235 HB3 PRO 35 1HB PRO 35 6.567 -1.826 7.976 236 HG2 PRO 35 2HG PRO 35 8.737 -0.104 6.909 237 HG3 PRO 35 1HG PRO 35 8.291 -1.758 6.465 238 HD2 PRO 35 2HD PRO 35 7.703 0.397 4.931 239 HD3 PRO 35 1HD PRO 35 6.687 -1.057 4.980 240 H ASN 36 H ASN 36 7.179 2.339 7.124 241 HA ASN 36 HA ASN 36 7.376 3.165 9.893 242 HB2 ASN 36 1HB ASN 36 9.257 3.362 8.204 243 HB3 ASN 36 2HB ASN 36 8.354 4.686 7.477 244 HD21 ASN 36 1HD2 ASN 36 9.330 5.406 11.350 245 HD22 ASN 36 2HD2 ASN 36 8.465 3.978 10.894 246 H SER 37 H SER 37 6.123 4.635 6.889 247 HA SER 37 HA SER 37 4.788 6.726 8.346 248 HB2 SER 37 1HB SER 37 4.479 5.912 5.452 249 HB3 SER 37 2HB SER 37 3.994 7.445 6.164 250 HG SER 37 HG SER 37 6.594 6.434 5.695 251 H GLN 38 H GLN 38 4.018 3.558 7.316 252 HA GLN 38 HA GLN 38 2.182 2.253 7.375 253 HB2 GLN 38 1HB GLN 38 1.074 4.454 9.123 254 HB3 GLN 38 2HB GLN 38 0.276 2.911 8.840 255 HG2 GLN 38 1HG GLN 38 2.121 1.728 9.854 256 HG3 GLN 38 2HG GLN 38 3.004 3.240 10.066 257 HE21 GLN 38 1HE2 GLN 38 0.186 4.248 12.381 258 HE22 GLN 38 2HE2 GLN 38 0.552 4.688 10.747 259 H TYR 39 H TYR 39 2.599 4.349 5.367 260 HA TYR 39 HA TYR 39 -0.161 4.597 4.377 261 HB2 TYR 39 2HB TYR 39 2.260 6.329 3.885 262 HB3 TYR 39 1HB TYR 39 0.827 6.401 2.870 263 HD1 TYR 39 1HD TYR 39 -1.432 6.758 4.154 264 HD2 TYR 39 2HD TYR 39 2.396 7.739 5.725 265 HE1 TYR 39 1HE TYR 39 -2.485 8.328 5.720 266 HE2 TYR 39 2HE TYR 39 1.352 9.314 7.297 267 HH TYR 39 HH TYR 39 -2.123 9.510 7.672 268 H TYR 40 H TYR 40 -0.249 4.610 1.944 269 HA TYR 40 HA TYR 40 1.340 2.350 0.963 270 HB2 TYR 40 2HB TYR 40 -1.311 3.491 0.059 271 HB3 TYR 40 1HB TYR 40 -0.455 2.207 -0.794 272 HD1 TYR 40 1HD TYR 40 -2.274 3.073 2.284 273 HD2 TYR 40 2HD TYR 40 -0.376 -0.020 0.066 274 HE1 TYR 40 1HE TYR 40 -3.283 1.395 3.774 275 HE2 TYR 40 2HE TYR 40 -1.379 -1.703 1.541 276 HH TYR 40 HH TYR 40 -2.415 -2.002 3.551 277 H TYR 41 H TYR 41 2.380 2.420 -0.980 278 HA TYR 41 HA TYR 41 2.794 5.111 -2.094 279 HB2 TYR 41 2HB TYR 41 4.795 4.365 -0.954 280 HB3 TYR 41 1HB TYR 41 4.730 2.809 -1.770 281 HD1 TYR 41 1HD TYR 41 4.724 6.415 -2.796 282 HD2 TYR 41 2HD TYR 41 6.307 2.514 -3.404 283 HE1 TYR 41 1HE TYR 41 6.158 7.284 -4.592 284 HE2 TYR 41 2HE TYR 41 7.749 3.368 -5.197 285 HH TYR 41 HH TYR 41 7.835 5.244 -6.756 286 H ASN 42 H ASN 42 1.801 5.245 -3.970 287 HA ASN 42 HA ASN 42 1.420 3.002 -5.726 288 HB2 ASN 42 1HB ASN 42 -0.107 5.019 -5.636 289 HB3 ASN 42 2HB ASN 42 1.184 5.957 -6.372 290 HD21 ASN 42 1HD2 ASN 42 -1.269 4.684 -8.901 291 HD22 ASN 42 2HD2 ASN 42 -1.455 5.495 -7.386 292 H SER 43 H SER 43 3.251 2.124 -6.555 293 HA SER 43 HA SER 43 5.630 3.670 -6.872 294 HB2 SER 43 1HB SER 43 5.216 1.057 -6.432 295 HB3 SER 43 2HB SER 43 5.422 1.008 -8.182 296 HG SER 43 HG SER 43 7.474 1.587 -7.990 297 H LEU 44 H LEU 44 2.947 3.002 -8.871 298 HA LEU 44 HA LEU 44 4.322 3.293 -11.381 299 HB2 LEU 44 1HB LEU 44 2.313 1.900 -11.165 300 HB3 LEU 44 2HB LEU 44 1.376 3.310 -10.719 301 HG LEU 44 HG LEU 44 1.827 4.274 -12.964 302 HD11 LEU 44 1HD1 LEU 44 3.012 1.562 -13.525 303 HD12 LEU 44 2HD1 LEU 44 3.889 3.092 -13.468 304 HD13 LEU 44 3HD1 LEU 44 2.681 2.813 -14.723 305 HD21 LEU 44 1HD2 LEU 44 -0.245 3.069 -12.492 306 HD22 LEU 44 2HD2 LEU 44 0.526 1.554 -12.968 307 HD23 LEU 44 3HD2 LEU 44 0.274 2.831 -14.160 308 H THR 45 H THR 45 2.278 5.317 -9.317 309 HA THR 45 HA THR 45 2.657 7.557 -11.172 310 HB THR 45 HB THR 45 0.855 7.599 -8.763 311 HG1 THR 45 1HG THR 45 -0.678 7.064 -10.771 312 HG21 THR 45 1HG2 THR 45 0.766 9.017 -11.431 313 HG22 THR 45 2HG2 THR 45 1.266 9.726 -9.895 314 HG23 THR 45 3HG2 THR 45 -0.404 9.209 -10.124 315 H GLN 46 H GLN 46 3.855 6.294 -8.317 316 HA GLN 46 HA GLN 46 5.334 6.974 -6.762 317 HB2 GLN 46 1HB GLN 46 5.770 9.301 -8.638 318 HB3 GLN 46 2HB GLN 46 6.825 8.853 -7.304 319 HG2 GLN 46 1HG GLN 46 7.301 6.724 -8.363 320 HG3 GLN 46 2HG GLN 46 6.200 7.115 -9.682 321 HE21 GLN 46 1HE2 GLN 46 8.594 9.906 -10.550 322 HE22 GLN 46 2HE2 GLN 46 7.034 9.914 -9.796 323 H GLN 47 H GLN 47 3.153 7.266 -5.672 324 HA GLN 47 HA GLN 47 3.120 9.878 -4.389 325 HB2 GLN 47 1HB GLN 47 0.775 10.270 -4.767 326 HB3 GLN 47 2HB GLN 47 1.553 10.024 -6.326 327 HG2 GLN 47 1HG GLN 47 0.716 7.767 -6.434 328 HG3 GLN 47 2HG GLN 47 0.010 7.924 -4.826 329 HE21 GLN 47 1HE2 GLN 47 -2.814 9.691 -5.880 330 HE22 GLN 47 2HE2 GLN 47 -1.797 9.259 -4.543 331 H TYR 48 H TYR 48 1.476 9.839 -2.514 332 HA TYR 48 HA TYR 48 1.569 7.151 -1.323 333 HB2 TYR 48 2HB TYR 48 2.073 9.848 -0.136 334 HB3 TYR 48 1HB TYR 48 1.453 8.554 0.890 335 HD1 TYR 48 1HD TYR 48 4.227 9.379 -1.457 336 HD2 TYR 48 2HD TYR 48 2.893 6.956 1.777 337 HE1 TYR 48 1HE TYR 48 6.496 8.468 -1.208 338 HE2 TYR 48 2HE TYR 48 5.157 6.037 2.035 339 HH TYR 48 HH TYR 48 7.182 5.754 0.798 340 H LEU 49 H LEU 49 -0.125 6.408 -0.121 341 HA LEU 49 HA LEU 49 -2.671 7.850 -0.343 342 HB2 LEU 49 1HB LEU 49 -2.181 5.036 -1.333 343 HB3 LEU 49 2HB LEU 49 -3.738 5.839 -1.282 344 HG LEU 49 HG LEU 49 -1.454 6.938 -2.901 345 HD11 LEU 49 1HD1 LEU 49 -2.418 5.830 -4.845 346 HD12 LEU 49 2HD1 LEU 49 -3.590 5.017 -3.810 347 HD13 LEU 49 3HD1 LEU 49 -1.871 4.650 -3.653 348 HD21 LEU 49 1HD2 LEU 49 -4.443 7.258 -3.059 349 HD22 LEU 49 2HD2 LEU 49 -3.256 8.047 -4.100 350 HD23 LEU 49 3HD2 LEU 49 -3.317 8.432 -2.377 351 H TYR 50 H TYR 50 -4.416 6.681 0.866 352 HA TYR 50 HA TYR 50 -3.459 4.665 2.747 353 HB2 TYR 50 2HB TYR 50 -4.468 5.714 4.673 354 HB3 TYR 50 1HB TYR 50 -3.356 6.857 3.939 355 HD1 TYR 50 1HD TYR 50 -6.826 6.151 4.776 356 HD2 TYR 50 2HD TYR 50 -4.228 8.850 2.753 357 HE1 TYR 50 1HE TYR 50 -8.609 7.838 4.755 358 HE2 TYR 50 2HE TYR 50 -6.007 10.548 2.735 359 HH TYR 50 HH TYR 50 -8.357 10.759 2.916 360 H TRP 51 H TRP 51 -5.042 3.189 3.370 361 HA TRP 51 HA TRP 51 -7.206 2.944 1.509 362 HB2 TRP 51 2HB TRP 51 -6.061 0.938 2.146 363 HB3 TRP 51 1HB TRP 51 -6.317 1.266 3.858 364 HD1 TRP 51 1HD TRP 51 -8.471 0.308 4.935 365 HE1 TRP 51 1HE TRP 51 -10.517 -0.978 4.053 366 HE3 TRP 51 3HE TRP 51 -7.616 0.761 -0.087 367 HZ2 TRP 51 2HZ TRP 51 -11.614 -1.712 1.567 368 HZ3 TRP 51 3HZ TRP 51 -9.214 -0.267 -1.650 369 HH2 TRP 51 2HH TRP 51 -11.170 -1.477 -0.835 370 H ASP 52 H ASP 52 -8.999 4.100 1.754 371 HA ASP 52 HA ASP 52 -10.085 4.491 4.445 372 HB2 ASP 52 1HB ASP 52 -10.037 6.469 2.979 373 HB3 ASP 52 2HB ASP 52 -11.016 5.621 1.787 374 H GLY 53 H GLY 53 -11.479 3.063 5.200 375 HA2 GLY 53 1HA GLY 53 -12.382 0.883 3.616 376 HA3 GLY 53 2HA GLY 53 -12.830 1.210 5.283 377 H GLU 54 H GLU 54 -13.772 3.948 4.423 378 HA GLU 54 HA GLU 54 -16.506 3.224 4.047 379 HB2 GLU 54 1HB GLU 54 -15.935 5.162 5.362 380 HB3 GLU 54 2HB GLU 54 -15.062 5.878 4.019 381 HG2 GLU 54 1HG GLU 54 -17.232 5.990 2.785 382 HG3 GLU 54 2HG GLU 54 -18.027 5.493 4.278 383 H LYS 55 H LYS 55 -14.062 4.811 2.045 384 HA LYS 55 HA LYS 55 -15.865 4.964 -0.223 385 HB2 LYS 55 1HB LYS 55 -12.953 5.733 0.008 386 HB3 LYS 55 2HB LYS 55 -14.039 6.160 -1.309 387 HG2 LYS 55 1HG LYS 55 -15.353 7.535 0.136 388 HG3 LYS 55 2HG LYS 55 -14.456 6.987 1.551 389 HD2 LYS 55 1HD LYS 55 -12.444 8.048 0.716 390 HD3 LYS 55 2HD LYS 55 -13.286 8.535 -0.759 391 HE2 LYS 55 1HE LYS 55 -13.097 10.368 0.868 392 HE3 LYS 55 2HE LYS 55 -14.773 9.951 0.517 393 HZ1 LYS 55 1HZ LYS 55 -13.221 9.141 2.921 394 HZ2 LYS 55 2HZ LYS 55 -14.809 8.650 2.583 395 HZ3 LYS 55 3HZ LYS 55 -14.473 10.286 2.872 396 H GLU 56 H GLU 56 -13.632 2.766 1.009 397 HA GLU 56 HA GLU 56 -12.682 0.843 0.271 398 HB2 GLU 56 1HB GLU 56 -14.795 1.084 -1.879 399 HB3 GLU 56 2HB GLU 56 -13.805 -0.342 -1.610 400 HG2 GLU 56 1HG GLU 56 -14.767 -0.639 0.589 401 HG3 GLU 56 2HG GLU 56 -15.702 0.845 0.402 402 H THR 57 H THR 57 -11.357 3.149 -0.422 403 HA THR 57 HA THR 57 -9.972 2.299 -2.820 404 HB THR 57 HB THR 57 -11.746 3.806 -3.684 405 HG1 THR 57 1HG THR 57 -9.398 3.758 -4.464 406 HG21 THR 57 1HG2 THR 57 -12.014 5.243 -1.727 407 HG22 THR 57 2HG2 THR 57 -11.670 6.201 -3.166 408 HG23 THR 57 3HG2 THR 57 -10.398 5.903 -1.980 409 H TYR 58 H TYR 58 -7.898 3.270 -3.049 410 HA TYR 58 HA TYR 58 -6.768 4.221 -0.548 411 HB2 TYR 58 2HB TYR 58 -5.423 3.697 -3.202 412 HB3 TYR 58 1HB TYR 58 -4.608 4.016 -1.680 413 HD1 TYR 58 1HD TYR 58 -6.334 1.518 -3.692 414 HD2 TYR 58 2HD TYR 58 -4.593 2.322 0.104 415 HE1 TYR 58 1HE TYR 58 -6.307 -0.890 -3.203 416 HE2 TYR 58 2HE TYR 58 -4.559 -0.086 0.605 417 HH TYR 58 HH TYR 58 -5.036 -2.456 -1.740 418 H VAL 59 H VAL 59 -7.088 6.270 -0.139 419 HA VAL 59 HA VAL 59 -7.152 8.205 -2.336 420 HB VAL 59 HB VAL 59 -8.049 9.726 -0.411 421 HG11 VAL 59 1HG1 VAL 59 -10.335 8.948 -0.856 422 HG12 VAL 59 2HG1 VAL 59 -9.686 7.458 -1.541 423 HG13 VAL 59 3HG1 VAL 59 -9.368 9.002 -2.330 424 HG21 VAL 59 1HG2 VAL 59 -9.264 8.505 1.322 425 HG22 VAL 59 2HG2 VAL 59 -7.533 8.179 1.413 426 HG23 VAL 59 3HG2 VAL 59 -8.621 6.983 0.709 427 HA PRO 60 HA PRO 60 -3.259 9.932 -1.423 428 HB2 PRO 60 2HB PRO 60 -4.504 12.610 -1.699 429 HB3 PRO 60 1HB PRO 60 -3.160 11.895 -2.595 430 HG2 PRO 60 2HG PRO 60 -5.567 12.170 -3.717 431 HG3 PRO 60 1HG PRO 60 -4.565 10.744 -4.037 432 HD2 PRO 60 2HD PRO 60 -6.936 11.028 -2.241 433 HD3 PRO 60 1HD PRO 60 -6.466 9.678 -3.291 434 H ALA 61 H ALA 61 -2.283 10.176 0.425 435 HA ALA 61 HA ALA 61 -3.607 11.159 2.779 436 HB1 ALA 61 1HB ALA 61 -0.717 10.416 2.345 437 HB2 ALA 61 2HB ALA 61 -1.989 9.333 2.909 438 HB3 ALA 61 3HB ALA 61 -1.487 10.703 3.904 439 H ALA 62 H ALA 62 -2.105 12.608 0.205 440 HA ALA 62 HA ALA 62 -0.980 14.860 1.625 441 HB1 ALA 62 1HB ALA 62 -0.427 15.713 -0.588 442 HB2 ALA 62 2HB ALA 62 -1.364 14.423 -1.339 443 HB3 ALA 62 3HB ALA 62 0.094 14.038 -0.421 444 H GLU 63 H GLU 63 -2.733 15.745 2.698 445 HA GLU 63 HA GLU 63 -5.112 16.513 1.233 446 HB2 GLU 63 1HB GLU 63 -4.301 17.036 4.100 447 HB3 GLU 63 2HB GLU 63 -5.879 17.388 3.410 448 HG2 GLU 63 1HG GLU 63 -4.696 14.630 3.495 449 HG3 GLU 63 2HG GLU 63 -5.717 15.287 4.772 450 H SER 64 H SER 64 -2.080 17.818 1.903 451 HA SER 64 HA SER 64 -2.905 20.368 0.768 452 HB2 SER 64 1HB SER 64 -1.344 21.519 2.471 453 HB3 SER 64 2HB SER 64 -2.933 21.005 3.040 454 HG SER 64 HG SER 64 -1.512 18.939 3.481 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -26.314 -11.676 -6.446 2 H2 GLY 1 2H GLY 1 -25.293 -12.169 -7.708 3 H3 GLY 1 3H GLY 1 -26.251 -10.778 -7.884 4 HA2 GLY 1 1HA GLY 1 -25.013 -9.629 -6.203 5 HA3 GLY 1 2HA GLY 1 -24.071 -11.084 -5.898 6 H ALA 2 H ALA 2 -22.120 -10.961 -6.711 7 HA ALA 2 HA ALA 2 -20.415 -10.774 -8.192 8 HB1 ALA 2 1HB ALA 2 -21.910 -11.730 -9.879 9 HB2 ALA 2 2HB ALA 2 -20.819 -10.532 -10.575 10 HB3 ALA 2 3HB ALA 2 -22.504 -10.115 -10.265 11 H MET 3 H MET 3 -18.973 -9.245 -8.658 12 HA MET 3 HA MET 3 -17.982 -7.207 -8.777 13 HB2 MET 3 1HB MET 3 -20.721 -6.270 -9.654 14 HB3 MET 3 2HB MET 3 -19.262 -5.292 -9.716 15 HG2 MET 3 1HG MET 3 -18.272 -6.802 -11.315 16 HG3 MET 3 2HG MET 3 -19.661 -7.880 -11.197 17 HE1 MET 3 1HE MET 3 -18.379 -4.356 -12.443 18 HE2 MET 3 2HE MET 3 -19.608 -3.973 -11.237 19 HE3 MET 3 3HE MET 3 -19.897 -3.611 -12.940 20 H GLY 4 H GLY 4 -19.350 -8.186 -6.345 21 HA2 GLY 4 1HA GLY 4 -20.165 -5.710 -5.024 22 HA3 GLY 4 2HA GLY 4 -20.227 -7.327 -4.333 23 H THR 5 H THR 5 -18.396 -8.202 -3.378 24 HA THR 5 HA THR 5 -16.540 -6.295 -2.324 25 HB THR 5 HB THR 5 -15.508 -8.565 -1.427 26 HG1 THR 5 1HG THR 5 -17.646 -9.897 -1.161 27 HG21 THR 5 1HG2 THR 5 -17.087 -8.467 0.459 28 HG22 THR 5 2HG2 THR 5 -18.151 -7.435 -0.494 29 HG23 THR 5 3HG2 THR 5 -16.549 -6.863 -0.030 30 H LYS 6 H LYS 6 -15.354 -5.519 -4.006 31 HA LYS 6 HA LYS 6 -13.802 -7.398 -5.639 32 HB2 LYS 6 1HB LYS 6 -14.165 -4.405 -5.902 33 HB3 LYS 6 2HB LYS 6 -13.310 -5.441 -7.037 34 HG2 LYS 6 1HG LYS 6 -15.310 -6.522 -7.698 35 HG3 LYS 6 2HG LYS 6 -16.220 -5.795 -6.373 36 HD2 LYS 6 1HD LYS 6 -14.946 -4.259 -8.636 37 HD3 LYS 6 2HD LYS 6 -16.650 -4.716 -8.565 38 HE2 LYS 6 1HE LYS 6 -15.236 -3.022 -6.510 39 HE3 LYS 6 2HE LYS 6 -16.207 -2.381 -7.833 40 HZ1 LYS 6 1HZ LYS 6 -18.140 -3.490 -6.946 41 HZ2 LYS 6 2HZ LYS 6 -17.447 -2.518 -5.741 42 HZ3 LYS 6 3HZ LYS 6 -17.222 -4.196 -5.706 43 H TYR 7 H TYR 7 -13.425 -4.466 -3.691 44 HA TYR 7 HA TYR 7 -10.731 -5.371 -2.949 45 HB2 TYR 7 2HB TYR 7 -11.555 -2.570 -3.748 46 HB3 TYR 7 1HB TYR 7 -10.053 -2.935 -2.905 47 HD1 TYR 7 1HD TYR 7 -11.844 -3.134 -6.084 48 HD2 TYR 7 2HD TYR 7 -8.239 -4.094 -4.042 49 HE1 TYR 7 1HE TYR 7 -10.744 -3.561 -8.241 50 HE2 TYR 7 2HE TYR 7 -7.128 -4.525 -6.191 51 HH TYR 7 HH TYR 7 -8.411 -3.549 -9.139 52 H ALA 8 H ALA 8 -10.965 -5.895 -0.886 53 HA ALA 8 HA ALA 8 -12.626 -4.196 0.839 54 HB1 ALA 8 1HB ALA 8 -11.640 -7.014 1.292 55 HB2 ALA 8 2HB ALA 8 -13.270 -6.548 0.803 56 HB3 ALA 8 3HB ALA 8 -12.663 -6.090 2.395 57 H VAL 9 H VAL 9 -11.582 -4.773 3.296 58 HA VAL 9 HA VAL 9 -9.395 -3.040 3.459 59 HB VAL 9 HB VAL 9 -9.150 -3.869 5.812 60 HG11 VAL 9 1HG1 VAL 9 -11.929 -3.112 4.919 61 HG12 VAL 9 2HG1 VAL 9 -10.609 -2.001 5.285 62 HG13 VAL 9 3HG1 VAL 9 -11.314 -2.985 6.568 63 HG21 VAL 9 1HG2 VAL 9 -9.854 -6.176 5.497 64 HG22 VAL 9 2HG2 VAL 9 -11.471 -5.638 5.047 65 HG23 VAL 9 3HG2 VAL 9 -10.880 -5.382 6.688 66 HA PRO 10 HA PRO 10 -6.285 -5.951 2.208 67 HB2 PRO 10 2HB PRO 10 -4.269 -4.190 1.980 68 HB3 PRO 10 1HB PRO 10 -5.597 -4.252 0.817 69 HG2 PRO 10 2HG PRO 10 -5.105 -2.326 3.032 70 HG3 PRO 10 1HG PRO 10 -5.811 -2.046 1.432 71 HD2 PRO 10 2HD PRO 10 -7.238 -2.341 3.802 72 HD3 PRO 10 1HD PRO 10 -7.907 -2.510 2.168 73 H ASP 11 H ASP 11 -5.043 -7.248 3.349 74 HA ASP 11 HA ASP 11 -4.152 -6.423 6.011 75 HB2 ASP 11 1HB ASP 11 -5.382 -8.508 5.958 76 HB3 ASP 11 2HB ASP 11 -4.329 -9.137 4.694 77 H THR 12 H THR 12 -2.060 -6.049 6.453 78 HA THR 12 HA THR 12 -0.246 -6.087 4.191 79 HB THR 12 HB THR 12 1.274 -4.822 5.754 80 HG1 THR 12 1HG THR 12 0.703 -4.621 7.781 81 HG21 THR 12 1HG2 THR 12 -0.126 -3.683 4.136 82 HG22 THR 12 2HG2 THR 12 -0.093 -2.765 5.644 83 HG23 THR 12 3HG2 THR 12 -1.503 -3.749 5.239 84 H SER 13 H SER 13 -0.951 -8.185 6.690 85 HA SER 13 HA SER 13 1.669 -9.138 7.281 86 HB2 SER 13 1HB SER 13 -0.985 -10.581 7.528 87 HB3 SER 13 2HB SER 13 0.529 -11.038 8.319 88 HG SER 13 HG SER 13 -1.245 -9.591 9.391 89 H THR 14 H THR 14 -0.834 -9.975 4.961 90 HA THR 14 HA THR 14 0.659 -12.227 3.934 91 HB THR 14 HB THR 14 -1.800 -12.316 4.034 92 HG1 THR 14 1HG THR 14 -0.564 -12.451 1.472 93 HG21 THR 14 1HG2 THR 14 -2.289 -9.966 3.568 94 HG22 THR 14 2HG2 THR 14 -3.155 -11.027 2.457 95 HG23 THR 14 3HG2 THR 14 -1.714 -10.168 1.912 96 H TYR 15 H TYR 15 1.257 -9.096 3.654 97 HA TYR 15 HA TYR 15 1.594 -8.889 0.807 98 HB2 TYR 15 2HB TYR 15 2.341 -7.125 3.121 99 HB3 TYR 15 1HB TYR 15 2.988 -6.815 1.516 100 HD1 TYR 15 1HD TYR 15 -0.259 -8.248 1.357 101 HD2 TYR 15 2HD TYR 15 1.790 -4.571 1.959 102 HE1 TYR 15 1HE TYR 15 -2.298 -7.023 0.753 103 HE2 TYR 15 2HE TYR 15 -0.248 -3.331 1.364 104 HH TYR 15 HH TYR 15 -2.390 -3.955 -0.155 105 H GLN 16 H GLN 16 3.759 -8.400 -0.119 106 HA GLN 16 HA GLN 16 5.651 -10.405 0.912 107 HB2 GLN 16 1HB GLN 16 5.600 -9.236 -1.868 108 HB3 GLN 16 2HB GLN 16 6.399 -10.708 -1.330 109 HG2 GLN 16 1HG GLN 16 4.188 -11.713 -0.905 110 HG3 GLN 16 2HG GLN 16 3.433 -10.251 -1.531 111 HE21 GLN 16 1HE2 GLN 16 3.707 -12.950 -4.122 112 HE22 GLN 16 2HE2 GLN 16 3.166 -12.929 -2.475 113 H TYR 17 H TYR 17 7.135 -9.401 2.154 114 HA TYR 17 HA TYR 17 7.725 -6.667 2.004 115 HB2 TYR 17 2HB TYR 17 8.059 -8.000 4.036 116 HB3 TYR 17 1HB TYR 17 9.368 -8.878 3.251 117 HD1 TYR 17 1HD TYR 17 11.526 -8.181 3.691 118 HD2 TYR 17 2HD TYR 17 8.365 -5.347 3.979 119 HE1 TYR 17 1HE TYR 17 13.129 -6.475 4.444 120 HE2 TYR 17 2HE TYR 17 9.959 -3.637 4.735 121 HH TYR 17 HH TYR 17 13.337 -4.039 4.530 122 H ASP 18 H ASP 18 8.686 -5.670 0.413 123 HA ASP 18 HA ASP 18 10.608 -6.977 -1.308 124 HB2 ASP 18 1HB ASP 18 8.868 -5.265 -2.081 125 HB3 ASP 18 2HB ASP 18 9.857 -4.048 -1.290 126 H GLU 19 H GLU 19 12.449 -7.350 -0.241 127 HA GLU 19 HA GLU 19 13.420 -5.648 1.840 128 HB2 GLU 19 1HB GLU 19 15.184 -7.284 2.027 129 HB3 GLU 19 2HB GLU 19 13.641 -8.076 1.796 130 HG2 GLU 19 1HG GLU 19 14.202 -8.303 -0.625 131 HG3 GLU 19 2HG GLU 19 15.830 -7.761 -0.217 132 H SER 20 H SER 20 13.880 -5.911 -1.511 133 HA SER 20 HA SER 20 16.425 -4.591 -1.614 134 HB2 SER 20 1HB SER 20 14.399 -5.581 -3.580 135 HB3 SER 20 2HB SER 20 15.765 -4.596 -4.123 136 HG SER 20 HG SER 20 16.482 -6.638 -2.432 137 H SER 21 H SER 21 13.122 -3.641 -1.478 138 HA SER 21 HA SER 21 13.844 -0.915 -2.319 139 HB2 SER 21 1HB SER 21 11.982 -2.075 -3.543 140 HB3 SER 21 2HB SER 21 11.066 -2.071 -2.039 141 HG SER 21 HG SER 21 11.099 -0.201 -3.821 142 H GLY 22 H GLY 22 12.523 -2.843 0.299 143 HA2 GLY 22 1HA GLY 22 12.805 -2.248 2.576 144 HA3 GLY 22 2HA GLY 22 12.972 -0.566 2.097 145 H TYR 23 H TYR 23 10.401 -2.320 0.675 146 HA TYR 23 HA TYR 23 8.464 -1.251 2.604 147 HB2 TYR 23 2HB TYR 23 8.362 -0.868 -0.400 148 HB3 TYR 23 1HB TYR 23 7.035 -0.502 0.696 149 HD1 TYR 23 1HD TYR 23 10.083 0.709 -0.782 150 HD2 TYR 23 2HD TYR 23 7.376 1.268 2.450 151 HE1 TYR 23 1HE TYR 23 10.986 2.970 -0.423 152 HE2 TYR 23 2HE TYR 23 8.269 3.522 2.817 153 HH TYR 23 HH TYR 23 10.130 5.158 0.608 154 H TYR 24 H TYR 24 6.316 -2.273 2.376 155 HA TYR 24 HA TYR 24 6.545 -5.073 1.674 156 HB2 TYR 24 2HB TYR 24 4.339 -3.387 2.840 157 HB3 TYR 24 1HB TYR 24 4.046 -5.041 2.320 158 HD1 TYR 24 1HD TYR 24 4.942 -6.908 3.542 159 HD2 TYR 24 2HD TYR 24 5.717 -2.920 4.796 160 HE1 TYR 24 1HE TYR 24 5.698 -7.750 5.722 161 HE2 TYR 24 2HE TYR 24 6.478 -3.747 6.983 162 HH TYR 24 HH TYR 24 7.047 -7.094 7.583 163 H TYR 25 H TYR 25 6.292 -5.751 -0.378 164 HA TYR 25 HA TYR 25 4.964 -4.115 -2.318 165 HB2 TYR 25 2HB TYR 25 6.812 -5.495 -3.056 166 HB3 TYR 25 1HB TYR 25 5.999 -6.953 -2.497 167 HD1 TYR 25 1HD TYR 25 4.848 -8.231 -4.063 168 HD2 TYR 25 2HD TYR 25 5.414 -4.075 -4.817 169 HE1 TYR 25 1HE TYR 25 3.788 -8.488 -6.264 170 HE2 TYR 25 2HE TYR 25 4.354 -4.329 -7.024 171 HH TYR 25 HH TYR 25 2.621 -7.138 -7.921 172 H ASP 26 H ASP 26 2.937 -4.114 -2.883 173 HA ASP 26 HA ASP 26 1.120 -6.129 -1.795 174 HB2 ASP 26 1HB ASP 26 0.393 -3.965 -1.170 175 HB3 ASP 26 2HB ASP 26 0.736 -3.301 -2.761 176 HA PRO 27 HA PRO 27 1.093 -7.529 -6.122 177 HB2 PRO 27 2HB PRO 27 0.280 -10.040 -5.504 178 HB3 PRO 27 1HB PRO 27 1.972 -9.537 -5.417 179 HG2 PRO 27 2HG PRO 27 -0.042 -9.795 -3.218 180 HG3 PRO 27 1HG PRO 27 1.664 -10.281 -3.240 181 HD2 PRO 27 2HD PRO 27 0.814 -7.986 -2.063 182 HD3 PRO 27 1HD PRO 27 2.412 -8.150 -2.812 183 H THR 28 H THR 28 -1.271 -7.141 -3.687 184 HA THR 28 HA THR 28 -3.508 -8.269 -5.031 185 HB THR 28 HB THR 28 -3.825 -6.028 -3.083 186 HG1 THR 28 1HG THR 28 -2.463 -7.012 -1.802 187 HG21 THR 28 1HG2 THR 28 -5.139 -8.730 -3.371 188 HG22 THR 28 2HG2 THR 28 -5.790 -7.205 -3.968 189 HG23 THR 28 3HG2 THR 28 -5.608 -7.467 -2.233 190 H THR 29 H THR 29 -2.579 -4.861 -4.444 191 HA THR 29 HA THR 29 -4.277 -4.073 -6.703 192 HB THR 29 HB THR 29 -2.945 -2.183 -4.773 193 HG1 THR 29 1HG THR 29 -4.168 -3.572 -3.504 194 HG21 THR 29 1HG2 THR 29 -4.840 -0.733 -5.390 195 HG22 THR 29 2HG2 THR 29 -5.440 -1.990 -6.471 196 HG23 THR 29 3HG2 THR 29 -3.896 -1.207 -6.801 197 H GLY 30 H GLY 30 -1.005 -3.834 -5.417 198 HA2 GLY 30 1HA GLY 30 0.824 -4.056 -7.047 199 HA3 GLY 30 2HA GLY 30 -0.104 -3.013 -8.119 200 H LEU 31 H LEU 31 0.507 -2.695 -4.656 201 HA LEU 31 HA LEU 31 1.813 -0.095 -5.220 202 HB2 LEU 31 1HB LEU 31 -0.159 -0.738 -3.032 203 HB3 LEU 31 2HB LEU 31 0.727 0.767 -3.162 204 HG LEU 31 HG LEU 31 -1.339 -0.266 -5.110 205 HD11 LEU 31 1HD1 LEU 31 -1.344 2.084 -3.229 206 HD12 LEU 31 2HD1 LEU 31 -2.286 0.603 -3.046 207 HD13 LEU 31 3HD1 LEU 31 -2.610 1.695 -4.393 208 HD21 LEU 31 1HD2 LEU 31 0.310 2.260 -5.188 209 HD22 LEU 31 2HD2 LEU 31 -1.049 1.897 -6.252 210 HD23 LEU 31 3HD2 LEU 31 0.412 0.909 -6.317 211 H TYR 32 H TYR 32 2.957 0.756 -3.212 212 HA TYR 32 HA TYR 32 4.303 -1.467 -1.827 213 HB2 TYR 32 2HB TYR 32 5.265 1.186 -2.820 214 HB3 TYR 32 1HB TYR 32 6.018 0.517 -1.377 215 HD1 TYR 32 1HD TYR 32 7.392 -1.456 -1.497 216 HD2 TYR 32 2HD TYR 32 5.551 0.110 -4.992 217 HE1 TYR 32 1HE TYR 32 8.875 -2.839 -2.880 218 HE2 TYR 32 2HE TYR 32 7.032 -1.272 -6.396 219 HH TYR 32 HH TYR 32 9.166 -3.693 -4.985 220 H TYR 33 H TYR 33 3.945 -1.645 0.293 221 HA TYR 33 HA TYR 33 2.577 0.545 1.659 222 HB2 TYR 33 2HB TYR 33 1.494 -1.609 1.845 223 HB3 TYR 33 1HB TYR 33 2.983 -2.360 2.404 224 HD1 TYR 33 1HD TYR 33 0.302 0.011 3.320 225 HD2 TYR 33 2HD TYR 33 3.584 -2.319 4.692 226 HE1 TYR 33 1HE TYR 33 -0.379 0.433 5.645 227 HE2 TYR 33 2HE TYR 33 2.918 -1.903 7.021 228 HH TYR 33 HH TYR 33 -0.102 -0.669 7.867 229 H ASP 34 H ASP 34 3.726 1.909 2.837 230 HA ASP 34 HA ASP 34 6.390 1.208 3.745 231 HB2 ASP 34 1HB ASP 34 5.965 3.507 2.948 232 HB3 ASP 34 2HB ASP 34 4.762 3.721 4.213 233 HA PRO 35 HA PRO 35 4.650 -0.477 7.535 234 HB2 PRO 35 2HB PRO 35 7.134 -0.882 8.688 235 HB3 PRO 35 1HB PRO 35 6.300 -2.044 7.650 236 HG2 PRO 35 2HG PRO 35 8.496 -0.144 6.991 237 HG3 PRO 35 1HG PRO 35 8.204 -1.778 6.379 238 HD2 PRO 35 2HD PRO 35 7.657 0.442 4.935 239 HD3 PRO 35 1HD PRO 35 6.704 -1.048 4.793 240 H ASN 36 H ASN 36 6.870 2.199 7.173 241 HA ASN 36 HA ASN 36 6.773 2.872 9.987 242 HB2 ASN 36 1HB ASN 36 8.779 3.267 8.461 243 HB3 ASN 36 2HB ASN 36 7.869 4.618 7.788 244 HD21 ASN 36 1HD2 ASN 36 8.562 4.939 11.785 245 HD22 ASN 36 2HD2 ASN 36 7.878 3.504 11.105 246 H SER 37 H SER 37 5.702 4.448 6.967 247 HA SER 37 HA SER 37 4.165 6.388 8.452 248 HB2 SER 37 1HB SER 37 4.173 5.873 5.473 249 HB3 SER 37 2HB SER 37 3.628 7.332 6.291 250 HG SER 37 HG SER 37 6.234 6.356 5.897 251 H GLN 38 H GLN 38 3.650 3.304 7.104 252 HA GLN 38 HA GLN 38 1.897 1.919 6.884 253 HB2 GLN 38 1HB GLN 38 0.532 3.910 8.696 254 HB3 GLN 38 2HB GLN 38 -0.184 2.383 8.195 255 HG2 GLN 38 1HG GLN 38 1.774 1.217 9.196 256 HG3 GLN 38 2HG GLN 38 2.305 2.772 9.835 257 HE21 GLN 38 1HE2 GLN 38 -0.735 0.724 11.559 258 HE22 GLN 38 2HE2 GLN 38 0.003 0.206 10.082 259 H TYR 39 H TYR 39 2.400 4.009 4.997 260 HA TYR 39 HA TYR 39 -0.288 4.318 3.851 261 HB2 TYR 39 2HB TYR 39 2.141 6.091 3.534 262 HB3 TYR 39 1HB TYR 39 0.697 6.239 2.545 263 HD1 TYR 39 1HD TYR 39 2.257 7.843 5.031 264 HD2 TYR 39 2HD TYR 39 -1.510 6.005 4.325 265 HE1 TYR 39 1HE TYR 39 1.242 9.279 6.749 266 HE2 TYR 39 2HE TYR 39 -2.542 7.432 6.034 267 HH TYR 39 HH TYR 39 -1.776 8.702 8.086 268 H TYR 40 H TYR 40 -0.407 4.216 1.537 269 HA TYR 40 HA TYR 40 1.408 2.195 0.465 270 HB2 TYR 40 2HB TYR 40 -1.298 3.179 -0.457 271 HB3 TYR 40 1HB TYR 40 -0.333 2.000 -1.339 272 HD1 TYR 40 1HD TYR 40 0.255 -0.177 -0.187 273 HD2 TYR 40 2HD TYR 40 -2.683 2.503 1.323 274 HE1 TYR 40 1HE TYR 40 -0.685 -1.988 1.180 275 HE2 TYR 40 2HE TYR 40 -3.628 0.700 2.699 276 HH TYR 40 HH TYR 40 -3.660 -1.910 2.540 277 H TYR 41 H TYR 41 2.646 2.507 -1.264 278 HA TYR 41 HA TYR 41 2.811 5.245 -2.306 279 HB2 TYR 41 2HB TYR 41 4.821 4.604 -1.107 280 HB3 TYR 41 1HB TYR 41 4.935 3.107 -2.021 281 HD1 TYR 41 1HD TYR 41 4.575 6.745 -2.859 282 HD2 TYR 41 2HD TYR 41 6.632 3.087 -3.548 283 HE1 TYR 41 1HE TYR 41 5.990 7.863 -4.534 284 HE2 TYR 41 2HE TYR 41 8.052 4.186 -5.215 285 HH TYR 41 HH TYR 41 8.029 6.128 -6.666 286 H ASN 42 H ASN 42 1.978 5.431 -4.219 287 HA ASN 42 HA ASN 42 1.773 3.227 -6.065 288 HB2 ASN 42 1HB ASN 42 0.080 5.079 -5.903 289 HB3 ASN 42 2HB ASN 42 1.290 6.182 -6.546 290 HD21 ASN 42 1HD2 ASN 42 -1.035 4.775 -9.165 291 HD22 ASN 42 2HD2 ASN 42 -1.320 5.400 -7.582 292 H SER 43 H SER 43 3.542 2.541 -7.087 293 HA SER 43 HA SER 43 5.916 4.129 -7.191 294 HB2 SER 43 1HB SER 43 5.979 1.671 -6.929 295 HB3 SER 43 2HB SER 43 5.310 1.488 -8.550 296 HG SER 43 HG SER 43 7.177 2.137 -9.427 297 H LEU 44 H LEU 44 3.270 3.585 -9.352 298 HA LEU 44 HA LEU 44 4.717 4.310 -11.739 299 HB2 LEU 44 1HB LEU 44 2.842 2.700 -11.760 300 HB3 LEU 44 2HB LEU 44 1.753 3.979 -11.260 301 HG LEU 44 HG LEU 44 2.293 5.183 -13.380 302 HD11 LEU 44 1HD1 LEU 44 3.652 2.586 -14.086 303 HD12 LEU 44 2HD1 LEU 44 4.450 4.134 -13.815 304 HD13 LEU 44 3HD1 LEU 44 3.355 3.937 -15.181 305 HD21 LEU 44 1HD2 LEU 44 1.155 2.404 -13.697 306 HD22 LEU 44 2HD2 LEU 44 0.896 3.769 -14.785 307 HD23 LEU 44 3HD2 LEU 44 0.270 3.823 -13.139 308 H THR 45 H THR 45 2.314 5.809 -9.614 309 HA THR 45 HA THR 45 2.497 8.300 -11.142 310 HB THR 45 HB THR 45 0.619 7.779 -8.838 311 HG1 THR 45 1HG THR 45 0.331 7.115 -11.604 312 HG21 THR 45 1HG2 THR 45 0.429 9.577 -11.266 313 HG22 THR 45 2HG2 THR 45 0.806 10.105 -9.627 314 HG23 THR 45 3HG2 THR 45 -0.782 9.431 -9.992 315 H GLN 46 H GLN 46 3.862 6.861 -8.485 316 HA GLN 46 HA GLN 46 5.272 7.526 -6.851 317 HB2 GLN 46 1HB GLN 46 5.393 10.099 -8.428 318 HB3 GLN 46 2HB GLN 46 6.550 9.577 -7.211 319 HG2 GLN 46 1HG GLN 46 7.224 7.716 -8.579 320 HG3 GLN 46 2HG GLN 46 5.978 8.098 -9.770 321 HE21 GLN 46 1HE2 GLN 46 8.810 11.011 -9.503 322 HE22 GLN 46 2HE2 GLN 46 7.915 10.495 -8.112 323 H GLN 47 H GLN 47 2.651 7.717 -6.149 324 HA GLN 47 HA GLN 47 2.556 10.183 -4.547 325 HB2 GLN 47 1HB GLN 47 0.120 10.206 -4.790 326 HB3 GLN 47 2HB GLN 47 0.910 10.302 -6.355 327 HG2 GLN 47 1HG GLN 47 0.491 7.928 -6.722 328 HG3 GLN 47 2HG GLN 47 -0.282 7.820 -5.143 329 HE21 GLN 47 1HE2 GLN 47 -2.864 10.211 -6.566 330 HE22 GLN 47 2HE2 GLN 47 -1.548 10.457 -5.468 331 H TYR 48 H TYR 48 1.221 9.989 -2.593 332 HA TYR 48 HA TYR 48 1.431 7.284 -1.467 333 HB2 TYR 48 2HB TYR 48 1.645 10.009 -0.249 334 HB3 TYR 48 1HB TYR 48 1.171 8.637 0.748 335 HD1 TYR 48 1HD TYR 48 2.749 7.155 1.569 336 HD2 TYR 48 2HD TYR 48 3.857 9.870 -1.507 337 HE1 TYR 48 1HE TYR 48 5.091 6.492 1.855 338 HE2 TYR 48 2HE TYR 48 6.218 9.226 -1.233 339 HH TYR 48 HH TYR 48 7.647 8.252 0.673 340 H LEU 49 H LEU 49 -0.225 6.352 -0.461 341 HA LEU 49 HA LEU 49 -2.843 7.679 -0.548 342 HB2 LEU 49 1HB LEU 49 -2.219 4.960 -1.712 343 HB3 LEU 49 2HB LEU 49 -3.817 5.665 -1.581 344 HG LEU 49 HG LEU 49 -1.646 7.017 -3.160 345 HD11 LEU 49 1HD1 LEU 49 -3.621 4.974 -4.172 346 HD12 LEU 49 2HD1 LEU 49 -1.872 4.763 -4.066 347 HD13 LEU 49 3HD1 LEU 49 -2.550 5.961 -5.169 348 HD21 LEU 49 1HD2 LEU 49 -3.528 8.072 -4.264 349 HD22 LEU 49 2HD2 LEU 49 -3.638 8.303 -2.515 350 HD23 LEU 49 3HD2 LEU 49 -4.653 7.101 -3.313 351 H TYR 50 H TYR 50 -4.477 6.427 0.676 352 HA TYR 50 HA TYR 50 -3.426 4.304 2.356 353 HB2 TYR 50 2HB TYR 50 -4.161 5.237 4.437 354 HB3 TYR 50 1HB TYR 50 -3.097 6.400 3.665 355 HD1 TYR 50 1HD TYR 50 -4.047 8.495 2.710 356 HD2 TYR 50 2HD TYR 50 -6.438 5.736 4.900 357 HE1 TYR 50 1HE TYR 50 -5.734 10.249 3.079 358 HE2 TYR 50 2HE TYR 50 -8.138 7.471 5.250 359 HH TYR 50 HH TYR 50 -8.074 10.487 3.600 360 H TRP 51 H TRP 51 -5.003 2.901 3.118 361 HA TRP 51 HA TRP 51 -7.361 2.869 1.464 362 HB2 TRP 51 2HB TRP 51 -6.259 0.763 1.818 363 HB3 TRP 51 1HB TRP 51 -6.337 0.960 3.567 364 HD1 TRP 51 1HD TRP 51 -8.550 0.224 4.771 365 HE1 TRP 51 1HE TRP 51 -10.696 -0.951 3.979 366 HE3 TRP 51 3HE TRP 51 -7.869 0.603 -0.281 367 HZ2 TRP 51 2HZ TRP 51 -11.928 -1.634 1.549 368 HZ3 TRP 51 3HZ TRP 51 -9.583 -0.344 -1.773 369 HH2 TRP 51 2HH TRP 51 -11.572 -1.439 -0.874 370 H ASP 52 H ASP 52 -9.090 3.998 1.997 371 HA ASP 52 HA ASP 52 -9.807 4.229 4.834 372 HB2 ASP 52 1HB ASP 52 -9.808 6.316 3.486 373 HB3 ASP 52 2HB ASP 52 -11.032 5.622 2.432 374 H GLY 53 H GLY 53 -11.097 2.705 5.600 375 HA2 GLY 53 1HA GLY 53 -12.188 0.698 3.950 376 HA3 GLY 53 2HA GLY 53 -12.482 0.885 5.668 377 H GLU 54 H GLU 54 -13.541 3.672 5.082 378 HA GLU 54 HA GLU 54 -16.275 2.859 4.788 379 HB2 GLU 54 1HB GLU 54 -15.636 4.662 6.318 380 HB3 GLU 54 2HB GLU 54 -15.031 5.608 4.967 381 HG2 GLU 54 1HG GLU 54 -17.210 6.394 5.709 382 HG3 GLU 54 2HG GLU 54 -17.275 5.785 4.055 383 H LYS 55 H LYS 55 -13.991 4.806 2.889 384 HA LYS 55 HA LYS 55 -15.920 5.208 0.785 385 HB2 LYS 55 1HB LYS 55 -12.962 5.726 0.551 386 HB3 LYS 55 2HB LYS 55 -14.276 6.518 -0.303 387 HG2 LYS 55 1HG LYS 55 -13.545 6.830 2.600 388 HG3 LYS 55 2HG LYS 55 -13.378 8.029 1.320 389 HD2 LYS 55 1HD LYS 55 -15.986 6.892 2.321 390 HD3 LYS 55 2HD LYS 55 -15.322 8.463 2.764 391 HE2 LYS 55 1HE LYS 55 -15.396 9.124 0.385 392 HE3 LYS 55 2HE LYS 55 -16.139 7.569 0.006 393 HZ1 LYS 55 1HZ LYS 55 -18.002 8.143 1.427 394 HZ2 LYS 55 2HZ LYS 55 -17.789 9.326 0.229 395 HZ3 LYS 55 3HZ LYS 55 -17.281 9.630 1.817 396 H GLU 56 H GLU 56 -13.646 2.808 1.588 397 HA GLU 56 HA GLU 56 -12.955 0.883 0.616 398 HB2 GLU 56 1HB GLU 56 -15.308 1.438 -1.188 399 HB3 GLU 56 2HB GLU 56 -14.344 -0.029 -1.283 400 HG2 GLU 56 1HG GLU 56 -14.930 -0.554 1.034 401 HG3 GLU 56 2HG GLU 56 -15.916 0.905 1.103 402 H THR 57 H THR 57 -11.588 3.198 -0.097 403 HA THR 57 HA THR 57 -10.498 2.402 -2.667 404 HB THR 57 HB THR 57 -12.202 3.991 -3.355 405 HG1 THR 57 1HG THR 57 -10.214 5.779 -3.707 406 HG21 THR 57 1HG2 THR 57 -12.501 5.204 -1.277 407 HG22 THR 57 2HG2 THR 57 -12.149 6.330 -2.589 408 HG23 THR 57 3HG2 THR 57 -10.889 5.904 -1.430 409 H TYR 58 H TYR 58 -8.463 3.529 -3.140 410 HA TYR 58 HA TYR 58 -7.002 4.132 -0.688 411 HB2 TYR 58 2HB TYR 58 -5.963 3.787 -3.510 412 HB3 TYR 58 1HB TYR 58 -4.981 3.947 -2.063 413 HD1 TYR 58 1HD TYR 58 -4.835 2.110 -0.445 414 HD2 TYR 58 2HD TYR 58 -7.025 1.704 -4.065 415 HE1 TYR 58 1HE TYR 58 -4.861 -0.331 -0.146 416 HE2 TYR 58 2HE TYR 58 -7.062 -0.737 -3.782 417 HH TYR 58 HH TYR 58 -5.758 -2.475 -2.625 418 H VAL 59 H VAL 59 -7.028 6.149 -0.074 419 HA VAL 59 HA VAL 59 -7.422 8.259 -2.080 420 HB VAL 59 HB VAL 59 -8.077 9.633 -0.005 421 HG11 VAL 59 1HG1 VAL 59 -10.356 8.699 0.002 422 HG12 VAL 59 2HG1 VAL 59 -9.757 7.279 -0.858 423 HG13 VAL 59 3HG1 VAL 59 -9.704 8.866 -1.628 424 HG21 VAL 59 1HG2 VAL 59 -7.145 8.108 1.667 425 HG22 VAL 59 2HG2 VAL 59 -8.294 6.867 1.169 426 HG23 VAL 59 3HG2 VAL 59 -8.873 8.360 1.906 427 HA PRO 60 HA PRO 60 -3.316 9.732 -1.679 428 HB2 PRO 60 2HB PRO 60 -4.527 12.444 -1.861 429 HB3 PRO 60 1HB PRO 60 -3.267 11.701 -2.853 430 HG2 PRO 60 2HG PRO 60 -5.736 11.974 -3.802 431 HG3 PRO 60 1HG PRO 60 -4.794 10.507 -4.138 432 HD2 PRO 60 2HD PRO 60 -7.015 10.929 -2.177 433 HD3 PRO 60 1HD PRO 60 -6.673 9.530 -3.213 434 H ALA 61 H ALA 61 -2.187 9.846 0.083 435 HA ALA 61 HA ALA 61 -3.302 11.159 2.456 436 HB1 ALA 61 1HB ALA 61 -1.691 9.875 3.730 437 HB2 ALA 61 2HB ALA 61 -0.962 9.274 2.238 438 HB3 ALA 61 3HB ALA 61 -2.613 8.816 2.662 439 H ALA 62 H ALA 62 -1.276 11.949 -0.020 440 HA ALA 62 HA ALA 62 0.003 14.019 1.584 441 HB1 ALA 62 1HB ALA 62 1.596 12.154 1.584 442 HB2 ALA 62 2HB ALA 62 2.225 13.553 0.709 443 HB3 ALA 62 3HB ALA 62 1.597 12.163 -0.180 444 H GLU 63 H GLU 63 -2.095 14.299 -0.238 445 HA GLU 63 HA GLU 63 -1.077 15.157 -2.784 446 HB2 GLU 63 1HB GLU 63 -3.347 16.064 -3.146 447 HB3 GLU 63 2HB GLU 63 -3.371 14.383 -2.639 448 HG2 GLU 63 1HG GLU 63 -3.992 15.030 -0.395 449 HG3 GLU 63 2HG GLU 63 -3.879 16.735 -0.828 450 H SER 64 H SER 64 -1.303 16.494 0.327 451 HA SER 64 HA SER 64 -0.292 19.042 -0.700 452 HB2 SER 64 1HB SER 64 -2.314 18.775 1.548 453 HB3 SER 64 2HB SER 64 -1.596 20.278 0.972 454 HG SER 64 HG SER 64 -2.580 19.793 -1.099 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -26.766 -4.124 -3.983 2 H2 GLY 1 2H GLY 1 -28.449 -4.245 -3.843 3 H3 GLY 1 3H GLY 1 -27.477 -4.332 -2.458 4 HA2 GLY 1 1HA GLY 1 -27.769 -1.954 -4.207 5 HA3 GLY 1 2HA GLY 1 -28.550 -2.170 -2.646 6 H ALA 2 H ALA 2 -25.797 -1.087 -4.276 7 HA ALA 2 HA ALA 2 -23.822 -0.162 -3.638 8 HB1 ALA 2 1HB ALA 2 -25.258 0.280 -1.024 9 HB2 ALA 2 2HB ALA 2 -25.335 1.340 -2.433 10 HB3 ALA 2 3HB ALA 2 -23.810 1.120 -1.573 11 H MET 3 H MET 3 -23.513 -2.754 -3.654 12 HA MET 3 HA MET 3 -21.887 -3.294 -1.275 13 HB2 MET 3 1HB MET 3 -22.683 -5.590 -1.129 14 HB3 MET 3 2HB MET 3 -24.015 -4.460 -0.927 15 HG2 MET 3 1HG MET 3 -24.716 -4.851 -3.220 16 HG3 MET 3 2HG MET 3 -23.356 -5.946 -3.461 17 HE1 MET 3 1HE MET 3 -24.260 -8.935 -1.119 18 HE2 MET 3 2HE MET 3 -23.227 -7.553 -0.747 19 HE3 MET 3 3HE MET 3 -23.137 -8.320 -2.334 20 H GLY 4 H GLY 4 -21.572 -2.620 -4.241 21 HA2 GLY 4 1HA GLY 4 -20.261 -4.920 -5.368 22 HA3 GLY 4 2HA GLY 4 -20.277 -3.295 -6.033 23 H THR 5 H THR 5 -19.068 -4.709 -3.005 24 HA THR 5 HA THR 5 -16.714 -3.065 -3.098 25 HB THR 5 HB THR 5 -17.318 -5.337 -1.222 26 HG1 THR 5 1HG THR 5 -17.759 -2.708 -0.400 27 HG21 THR 5 1HG2 THR 5 -15.849 -4.101 0.322 28 HG22 THR 5 2HG2 THR 5 -15.528 -2.924 -0.952 29 HG23 THR 5 3HG2 THR 5 -15.007 -4.596 -1.145 30 H LYS 6 H LYS 6 -14.859 -3.569 -4.003 31 HA LYS 6 HA LYS 6 -14.401 -6.336 -4.894 32 HB2 LYS 6 1HB LYS 6 -14.334 -4.464 -6.588 33 HB3 LYS 6 2HB LYS 6 -12.928 -3.836 -5.733 34 HG2 LYS 6 1HG LYS 6 -12.241 -5.101 -7.677 35 HG3 LYS 6 2HG LYS 6 -11.717 -5.911 -6.199 36 HD2 LYS 6 1HD LYS 6 -13.682 -7.407 -6.370 37 HD3 LYS 6 2HD LYS 6 -14.109 -6.634 -7.897 38 HE2 LYS 6 1HE LYS 6 -12.924 -8.726 -8.291 39 HE3 LYS 6 2HE LYS 6 -11.971 -7.355 -8.853 40 HZ1 LYS 6 1HZ LYS 6 -10.539 -7.528 -7.010 41 HZ2 LYS 6 2HZ LYS 6 -10.746 -9.117 -7.566 42 HZ3 LYS 6 3HZ LYS 6 -11.575 -8.587 -6.189 43 H TYR 7 H TYR 7 -12.993 -3.623 -3.214 44 HA TYR 7 HA TYR 7 -10.830 -5.350 -2.214 45 HB2 TYR 7 2HB TYR 7 -10.943 -2.352 -2.583 46 HB3 TYR 7 1HB TYR 7 -9.606 -3.208 -1.816 47 HD1 TYR 7 1HD TYR 7 -7.998 -4.422 -3.145 48 HD2 TYR 7 2HD TYR 7 -11.360 -2.569 -4.979 49 HE1 TYR 7 1HE TYR 7 -6.959 -4.727 -5.354 50 HE2 TYR 7 2HE TYR 7 -10.329 -2.862 -7.186 51 HH TYR 7 HH TYR 7 -8.018 -3.114 -8.110 52 H ALA 8 H ALA 8 -10.832 -5.765 -0.087 53 HA ALA 8 HA ALA 8 -12.627 -4.183 1.634 54 HB1 ALA 8 1HB ALA 8 -11.462 -6.938 2.065 55 HB2 ALA 8 2HB ALA 8 -13.117 -6.574 1.576 56 HB3 ALA 8 3HB ALA 8 -12.545 -6.095 3.174 57 H VAL 9 H VAL 9 -11.599 -4.488 4.104 58 HA VAL 9 HA VAL 9 -9.366 -2.838 4.209 59 HB VAL 9 HB VAL 9 -9.027 -3.650 6.546 60 HG11 VAL 9 1HG1 VAL 9 -11.121 -2.744 7.399 61 HG12 VAL 9 2HG1 VAL 9 -11.870 -2.958 5.815 62 HG13 VAL 9 3HG1 VAL 9 -10.550 -1.807 6.019 63 HG21 VAL 9 1HG2 VAL 9 -11.360 -5.450 5.891 64 HG22 VAL 9 2HG2 VAL 9 -10.702 -5.177 7.505 65 HG23 VAL 9 3HG2 VAL 9 -9.718 -5.968 6.274 66 HA PRO 10 HA PRO 10 -6.464 -5.639 2.540 67 HB2 PRO 10 2HB PRO 10 -4.346 -3.974 2.455 68 HB3 PRO 10 1HB PRO 10 -5.730 -3.813 1.371 69 HG2 PRO 10 2HG PRO 10 -5.035 -2.241 3.802 70 HG3 PRO 10 1HG PRO 10 -5.793 -1.706 2.293 71 HD2 PRO 10 2HD PRO 10 -7.141 -2.228 4.650 72 HD3 PRO 10 1HD PRO 10 -7.879 -2.202 3.038 73 H ASP 11 H ASP 11 -5.305 -7.207 3.386 74 HA ASP 11 HA ASP 11 -4.147 -6.978 6.018 75 HB2 ASP 11 1HB ASP 11 -4.010 -9.206 3.970 76 HB3 ASP 11 2HB ASP 11 -3.354 -9.304 5.599 77 H THR 12 H THR 12 -2.057 -6.556 6.481 78 HA THR 12 HA THR 12 -0.319 -5.928 4.226 79 HB THR 12 HB THR 12 1.170 -4.991 6.083 80 HG1 THR 12 1HG THR 12 -0.703 -4.446 7.845 81 HG21 THR 12 1HG2 THR 12 -0.253 -2.945 6.291 82 HG22 THR 12 2HG2 THR 12 -1.573 -3.845 5.539 83 HG23 THR 12 3HG2 THR 12 -0.089 -3.534 4.635 84 H SER 13 H SER 13 -0.856 -8.370 6.519 85 HA SER 13 HA SER 13 1.809 -9.403 6.621 86 HB2 SER 13 1HB SER 13 -0.779 -10.859 7.201 87 HB3 SER 13 2HB SER 13 0.835 -11.302 7.757 88 HG SER 13 HG SER 13 -0.779 -9.121 8.543 89 H THR 14 H THR 14 -0.722 -9.509 4.337 90 HA THR 14 HA THR 14 0.175 -11.971 3.082 91 HB THR 14 HB THR 14 -1.617 -11.312 1.374 92 HG1 THR 14 1HG THR 14 -2.044 -9.214 1.731 93 HG21 THR 14 1HG2 THR 14 -1.975 -13.000 3.122 94 HG22 THR 14 2HG2 THR 14 -3.436 -12.063 2.815 95 HG23 THR 14 3HG2 THR 14 -2.458 -11.727 4.243 96 H TYR 15 H TYR 15 1.325 -8.937 3.142 97 HA TYR 15 HA TYR 15 1.789 -8.573 0.309 98 HB2 TYR 15 2HB TYR 15 2.677 -7.018 2.732 99 HB3 TYR 15 1HB TYR 15 3.127 -6.583 1.097 100 HD1 TYR 15 1HD TYR 15 1.753 -4.725 2.915 101 HD2 TYR 15 2HD TYR 15 0.158 -7.585 0.202 102 HE1 TYR 15 1HE TYR 15 -0.296 -3.386 2.717 103 HE2 TYR 15 2HE TYR 15 -1.899 -6.254 -0.002 104 HH TYR 15 HH TYR 15 -3.111 -4.565 1.043 105 H GLN 16 H GLN 16 3.935 -8.312 -0.550 106 HA GLN 16 HA GLN 16 5.809 -10.237 0.638 107 HB2 GLN 16 1HB GLN 16 5.708 -9.060 -2.149 108 HB3 GLN 16 2HB GLN 16 6.852 -10.277 -1.596 109 HG2 GLN 16 1HG GLN 16 5.118 -11.888 -1.320 110 HG3 GLN 16 2HG GLN 16 3.872 -10.673 -1.616 111 HE21 GLN 16 1HE2 GLN 16 4.108 -10.791 -5.095 112 HE22 GLN 16 2HE2 GLN 16 3.519 -9.950 -3.702 113 H TYR 17 H TYR 17 7.128 -9.192 2.023 114 HA TYR 17 HA TYR 17 7.756 -6.443 1.800 115 HB2 TYR 17 2HB TYR 17 7.770 -7.625 3.964 116 HB3 TYR 17 1HB TYR 17 9.167 -8.559 3.434 117 HD1 TYR 17 1HD TYR 17 8.032 -5.064 4.015 118 HD2 TYR 17 2HD TYR 17 11.322 -7.750 3.823 119 HE1 TYR 17 1HE TYR 17 9.518 -3.293 4.843 120 HE2 TYR 17 2HE TYR 17 12.819 -5.987 4.654 121 HH TYR 17 HH TYR 17 12.886 -3.497 4.715 122 H ASP 18 H ASP 18 9.061 -5.556 0.383 123 HA ASP 18 HA ASP 18 11.206 -7.135 -0.833 124 HB2 ASP 18 1HB ASP 18 9.577 -5.771 -2.231 125 HB3 ASP 18 2HB ASP 18 10.323 -4.331 -1.548 126 H GLU 19 H GLU 19 13.130 -7.027 0.144 127 HA GLU 19 HA GLU 19 13.657 -4.978 2.093 128 HB2 GLU 19 1HB GLU 19 15.659 -6.218 2.591 129 HB3 GLU 19 2HB GLU 19 14.308 -7.317 2.402 130 HG2 GLU 19 1HG GLU 19 15.057 -7.964 0.215 131 HG3 GLU 19 2HG GLU 19 16.358 -6.775 0.281 132 H SER 20 H SER 20 14.245 -5.344 -1.216 133 HA SER 20 HA SER 20 16.602 -3.648 -1.225 134 HB2 SER 20 1HB SER 20 16.395 -5.584 -2.774 135 HB3 SER 20 2HB SER 20 15.022 -4.788 -3.540 136 HG SER 20 HG SER 20 16.652 -2.959 -3.787 137 H SER 21 H SER 21 13.202 -3.409 -1.465 138 HA SER 21 HA SER 21 13.405 -0.671 -2.522 139 HB2 SER 21 1HB SER 21 11.830 -2.181 -3.689 140 HB3 SER 21 2HB SER 21 10.956 -2.424 -2.180 141 HG SER 21 HG SER 21 10.785 -0.393 -3.968 142 H GLY 22 H GLY 22 12.445 -2.582 0.234 143 HA2 GLY 22 1HA GLY 22 12.442 -1.869 2.451 144 HA3 GLY 22 2HA GLY 22 12.498 -0.202 1.899 145 H TYR 23 H TYR 23 10.155 -2.377 0.557 146 HA TYR 23 HA TYR 23 8.055 -1.233 2.250 147 HB2 TYR 23 2HB TYR 23 8.056 -1.159 -0.773 148 HB3 TYR 23 1HB TYR 23 6.675 -0.756 0.238 149 HD1 TYR 23 1HD TYR 23 9.562 0.480 -1.400 150 HD2 TYR 23 2HD TYR 23 6.994 1.187 1.911 151 HE1 TYR 23 1HE TYR 23 10.334 2.810 -1.308 152 HE2 TYR 23 2HE TYR 23 7.758 3.513 2.018 153 HH TYR 23 HH TYR 23 9.580 4.885 1.330 154 H TYR 24 H TYR 24 6.096 -2.407 2.252 155 HA TYR 24 HA TYR 24 6.297 -5.201 1.519 156 HB2 TYR 24 2HB TYR 24 4.146 -3.537 2.821 157 HB3 TYR 24 1HB TYR 24 3.854 -5.198 2.322 158 HD1 TYR 24 1HD TYR 24 4.965 -7.047 3.441 159 HD2 TYR 24 2HD TYR 24 5.529 -3.036 4.736 160 HE1 TYR 24 1HE TYR 24 5.888 -7.870 5.565 161 HE2 TYR 24 2HE TYR 24 6.453 -3.846 6.864 162 HH TYR 24 HH TYR 24 7.318 -7.126 7.362 163 H TYR 25 H TYR 25 6.021 -5.767 -0.543 164 HA TYR 25 HA TYR 25 4.636 -4.084 -2.399 165 HB2 TYR 25 2HB TYR 25 6.547 -5.347 -3.173 166 HB3 TYR 25 1HB TYR 25 5.800 -6.863 -2.679 167 HD1 TYR 25 1HD TYR 25 4.550 -8.095 -4.219 168 HD2 TYR 25 2HD TYR 25 5.299 -3.974 -4.977 169 HE1 TYR 25 1HE TYR 25 3.547 -8.329 -6.447 170 HE2 TYR 25 2HE TYR 25 4.295 -4.200 -7.212 171 HH TYR 25 HH TYR 25 3.855 -5.974 -8.866 172 H ASP 26 H ASP 26 2.564 -4.086 -2.856 173 HA ASP 26 HA ASP 26 0.864 -6.312 -2.031 174 HB2 ASP 26 1HB ASP 26 0.005 -4.169 -1.355 175 HB3 ASP 26 2HB ASP 26 0.212 -3.514 -2.973 176 HA PRO 27 HA PRO 27 1.159 -7.541 -6.393 177 HB2 PRO 27 2HB PRO 27 0.108 -10.017 -5.882 178 HB3 PRO 27 1HB PRO 27 1.825 -9.625 -5.741 179 HG2 PRO 27 2HG PRO 27 -0.254 -9.827 -3.601 180 HG3 PRO 27 1HG PRO 27 1.437 -10.364 -3.586 181 HD2 PRO 27 2HD PRO 27 0.640 -8.083 -2.368 182 HD3 PRO 27 1HD PRO 27 2.238 -8.268 -3.117 183 H THR 28 H THR 28 -1.468 -7.237 -4.176 184 HA THR 28 HA THR 28 -3.554 -8.198 -5.840 185 HB THR 28 HB THR 28 -3.960 -6.127 -3.698 186 HG1 THR 28 1HG THR 28 -2.836 -7.448 -2.463 187 HG21 THR 28 1HG2 THR 28 -5.982 -7.467 -3.271 188 HG22 THR 28 2HG2 THR 28 -5.524 -8.558 -4.577 189 HG23 THR 28 3HG2 THR 28 -5.921 -6.877 -4.930 190 H THR 29 H THR 29 -2.877 -4.857 -4.786 191 HA THR 29 HA THR 29 -4.322 -3.848 -7.106 192 HB THR 29 HB THR 29 -3.043 -2.152 -4.974 193 HG1 THR 29 1HG THR 29 -4.276 -3.375 -3.684 194 HG21 THR 29 1HG2 THR 29 -4.890 -0.640 -5.486 195 HG22 THR 29 2HG2 THR 29 -5.540 -1.806 -6.638 196 HG23 THR 29 3HG2 THR 29 -3.987 -1.030 -6.951 197 H GLY 30 H GLY 30 -1.085 -3.974 -5.752 198 HA2 GLY 30 1HA GLY 30 0.808 -4.028 -7.253 199 HA3 GLY 30 2HA GLY 30 -0.069 -2.956 -8.336 200 H LEU 31 H LEU 31 0.408 -2.759 -4.850 201 HA LEU 31 HA LEU 31 1.662 -0.112 -5.256 202 HB2 LEU 31 1HB LEU 31 -0.291 -0.939 -3.105 203 HB3 LEU 31 2HB LEU 31 0.525 0.610 -3.176 204 HG LEU 31 HG LEU 31 -1.461 -0.423 -5.207 205 HD11 LEU 31 1HD1 LEU 31 -1.726 1.749 -3.132 206 HD12 LEU 31 2HD1 LEU 31 -2.482 0.160 -3.056 207 HD13 LEU 31 3HD1 LEU 31 -2.941 1.296 -4.327 208 HD21 LEU 31 1HD2 LEU 31 -1.343 1.837 -6.150 209 HD22 LEU 31 2HD2 LEU 31 0.218 1.021 -6.229 210 HD23 LEU 31 3HD2 LEU 31 -0.072 2.251 -4.998 211 H TYR 32 H TYR 32 2.724 0.614 -3.098 212 HA TYR 32 HA TYR 32 3.998 -1.699 -1.785 213 HB2 TYR 32 2HB TYR 32 5.195 0.892 -2.732 214 HB3 TYR 32 1HB TYR 32 5.939 -0.006 -1.418 215 HD1 TYR 32 1HD TYR 32 5.218 0.030 -5.011 216 HD2 TYR 32 2HD TYR 32 7.040 -2.135 -1.836 217 HE1 TYR 32 1HE TYR 32 6.402 -1.371 -6.651 218 HE2 TYR 32 2HE TYR 32 8.227 -3.540 -3.466 219 HH TYR 32 HH TYR 32 8.167 -4.217 -5.713 220 H TYR 33 H TYR 33 3.659 -1.780 0.355 221 HA TYR 33 HA TYR 33 2.513 0.569 1.668 222 HB2 TYR 33 2HB TYR 33 1.267 -1.484 1.963 223 HB3 TYR 33 1HB TYR 33 2.706 -2.329 2.521 224 HD1 TYR 33 1HD TYR 33 0.319 0.371 3.395 225 HD2 TYR 33 2HD TYR 33 3.300 -2.318 4.798 226 HE1 TYR 33 1HE TYR 33 -0.254 0.954 5.710 227 HE2 TYR 33 2HE TYR 33 2.738 -1.742 7.119 228 HH TYR 33 HH TYR 33 -0.088 0.088 7.913 229 H ASP 34 H ASP 34 3.707 1.831 2.944 230 HA ASP 34 HA ASP 34 6.354 0.926 3.752 231 HB2 ASP 34 1HB ASP 34 6.132 3.240 2.910 232 HB3 ASP 34 2HB ASP 34 5.014 3.600 4.223 233 HA PRO 35 HA PRO 35 4.634 -0.403 7.657 234 HB2 PRO 35 2HB PRO 35 7.082 -1.112 8.706 235 HB3 PRO 35 1HB PRO 35 6.061 -2.169 7.726 236 HG2 PRO 35 2HG PRO 35 8.488 -0.647 6.968 237 HG3 PRO 35 1HG PRO 35 7.883 -2.188 6.346 238 HD2 PRO 35 2HD PRO 35 7.686 0.202 5.025 239 HD3 PRO 35 1HD PRO 35 6.593 -1.169 4.766 240 H ASN 36 H ASN 36 7.040 2.018 7.071 241 HA ASN 36 HA ASN 36 7.261 2.727 9.877 242 HB2 ASN 36 1HB ASN 36 9.177 2.843 8.191 243 HB3 ASN 36 2HB ASN 36 8.390 4.287 7.558 244 HD21 ASN 36 1HD2 ASN 36 9.451 4.583 11.480 245 HD22 ASN 36 2HD2 ASN 36 8.514 3.242 10.906 246 H SER 37 H SER 37 6.143 4.323 6.893 247 HA SER 37 HA SER 37 4.923 6.474 8.384 248 HB2 SER 37 1HB SER 37 4.617 5.810 5.446 249 HB3 SER 37 2HB SER 37 4.319 7.364 6.219 250 HG SER 37 HG SER 37 6.778 6.044 5.752 251 H GLN 38 H GLN 38 4.033 3.385 7.293 252 HA GLN 38 HA GLN 38 2.154 2.154 7.292 253 HB2 GLN 38 1HB GLN 38 1.198 4.326 9.148 254 HB3 GLN 38 2HB GLN 38 0.260 2.885 8.781 255 HG2 GLN 38 1HG GLN 38 2.194 1.527 9.592 256 HG3 GLN 38 2HG GLN 38 2.935 3.029 10.137 257 HE21 GLN 38 1HE2 GLN 38 -0.628 2.356 11.973 258 HE22 GLN 38 2HE2 GLN 38 -0.503 2.492 10.252 259 H TYR 39 H TYR 39 2.624 4.121 5.274 260 HA TYR 39 HA TYR 39 -0.135 4.515 4.334 261 HB2 TYR 39 2HB TYR 39 2.327 6.200 3.866 262 HB3 TYR 39 1HB TYR 39 0.897 6.322 2.850 263 HD1 TYR 39 1HD TYR 39 2.514 7.883 5.427 264 HD2 TYR 39 2HD TYR 39 -1.366 6.442 4.432 265 HE1 TYR 39 1HE TYR 39 1.517 9.476 7.015 266 HE2 TYR 39 2HE TYR 39 -2.367 8.034 6.017 267 HH TYR 39 HH TYR 39 -0.695 10.628 7.329 268 H TYR 40 H TYR 40 -0.328 4.453 1.952 269 HA TYR 40 HA TYR 40 1.316 2.277 0.901 270 HB2 TYR 40 2HB TYR 40 -1.370 3.374 0.074 271 HB3 TYR 40 1HB TYR 40 -0.477 2.205 -0.897 272 HD1 TYR 40 1HD TYR 40 -2.320 2.732 2.230 273 HD2 TYR 40 2HD TYR 40 -0.240 -0.087 -0.187 274 HE1 TYR 40 1HE TYR 40 -3.232 0.901 3.592 275 HE2 TYR 40 2HE TYR 40 -1.151 -1.926 1.164 276 HH TYR 40 HH TYR 40 -2.180 -2.423 3.135 277 H TYR 41 H TYR 41 2.117 2.364 -1.217 278 HA TYR 41 HA TYR 41 2.695 5.087 -2.160 279 HB2 TYR 41 2HB TYR 41 4.624 4.130 -0.990 280 HB3 TYR 41 1HB TYR 41 4.535 2.690 -1.992 281 HD1 TYR 41 1HD TYR 41 5.088 6.361 -2.172 282 HD2 TYR 41 2HD TYR 41 5.753 2.570 -3.981 283 HE1 TYR 41 1HE TYR 41 6.644 7.400 -3.758 284 HE2 TYR 41 2HE TYR 41 7.316 3.595 -5.571 285 HH TYR 41 HH TYR 41 8.580 6.697 -5.156 286 H ASN 42 H ASN 42 2.006 5.398 -4.153 287 HA ASN 42 HA ASN 42 1.225 3.184 -5.834 288 HB2 ASN 42 1HB ASN 42 -0.009 5.385 -5.761 289 HB3 ASN 42 2HB ASN 42 1.371 6.119 -6.570 290 HD21 ASN 42 1HD2 ASN 42 -1.407 4.964 -8.897 291 HD22 ASN 42 2HD2 ASN 42 -1.452 5.760 -7.362 292 H SER 43 H SER 43 2.588 2.109 -7.067 293 HA SER 43 HA SER 43 5.326 2.761 -7.145 294 HB2 SER 43 1HB SER 43 4.042 0.785 -9.010 295 HB3 SER 43 2HB SER 43 5.608 0.696 -8.200 296 HG SER 43 HG SER 43 3.260 -0.268 -7.375 297 H LEU 44 H LEU 44 2.705 3.488 -9.289 298 HA LEU 44 HA LEU 44 4.491 4.055 -11.513 299 HB2 LEU 44 1HB LEU 44 2.356 2.912 -11.914 300 HB3 LEU 44 2HB LEU 44 1.494 4.298 -11.280 301 HG LEU 44 HG LEU 44 2.378 5.671 -13.138 302 HD11 LEU 44 1HD1 LEU 44 3.465 4.597 -15.025 303 HD12 LEU 44 2HD1 LEU 44 3.437 3.050 -14.180 304 HD13 LEU 44 3HD1 LEU 44 4.417 4.377 -13.557 305 HD21 LEU 44 1HD2 LEU 44 0.183 4.652 -13.322 306 HD22 LEU 44 2HD2 LEU 44 0.905 3.168 -13.944 307 HD23 LEU 44 3HD2 LEU 44 0.989 4.654 -14.891 308 H THR 45 H THR 45 2.156 5.807 -9.483 309 HA THR 45 HA THR 45 2.873 8.323 -10.740 310 HB THR 45 HB THR 45 0.948 7.880 -8.447 311 HG1 THR 45 1HG THR 45 0.610 7.670 -11.272 312 HG21 THR 45 1HG2 THR 45 -0.091 9.941 -9.282 313 HG22 THR 45 2HG2 THR 45 1.154 10.067 -10.524 314 HG23 THR 45 3HG2 THR 45 1.588 10.216 -8.821 315 H GLN 46 H GLN 46 3.829 6.464 -8.110 316 HA GLN 46 HA GLN 46 5.289 6.721 -6.428 317 HB2 GLN 46 1HB GLN 46 6.107 9.197 -7.953 318 HB3 GLN 46 2HB GLN 46 7.052 8.408 -6.696 319 HG2 GLN 46 1HG GLN 46 7.217 6.399 -8.059 320 HG3 GLN 46 2HG GLN 46 6.240 7.157 -9.312 321 HE21 GLN 46 1HE2 GLN 46 9.262 7.949 -10.838 322 HE22 GLN 46 2HE2 GLN 46 7.823 6.987 -10.857 323 H GLN 47 H GLN 47 2.723 7.608 -5.960 324 HA GLN 47 HA GLN 47 3.113 9.949 -4.219 325 HB2 GLN 47 1HB GLN 47 0.738 10.380 -4.424 326 HB3 GLN 47 2HB GLN 47 1.444 10.257 -6.027 327 HG2 GLN 47 1HG GLN 47 0.588 8.009 -6.270 328 HG3 GLN 47 2HG GLN 47 -0.048 8.050 -4.627 329 HE21 GLN 47 1HE2 GLN 47 -2.312 10.821 -5.906 330 HE22 GLN 47 2HE2 GLN 47 -0.885 10.865 -4.925 331 H TYR 48 H TYR 48 1.619 9.900 -2.281 332 HA TYR 48 HA TYR 48 1.677 7.208 -1.129 333 HB2 TYR 48 2HB TYR 48 1.962 9.936 0.071 334 HB3 TYR 48 1HB TYR 48 1.426 8.585 1.068 335 HD1 TYR 48 1HD TYR 48 4.186 9.712 -1.154 336 HD2 TYR 48 2HD TYR 48 2.959 7.057 1.933 337 HE1 TYR 48 1HE TYR 48 6.518 8.996 -0.844 338 HE2 TYR 48 2HE TYR 48 5.279 6.333 2.249 339 HH TYR 48 HH TYR 48 7.913 7.987 0.943 340 H LEU 49 H LEU 49 -0.031 6.354 -0.113 341 HA LEU 49 HA LEU 49 -2.623 7.720 -0.391 342 HB2 LEU 49 1HB LEU 49 -2.010 4.896 -1.282 343 HB3 LEU 49 2HB LEU 49 -3.588 5.655 -1.311 344 HG LEU 49 HG LEU 49 -1.344 6.907 -2.839 345 HD11 LEU 49 1HD1 LEU 49 -1.269 4.583 -3.513 346 HD12 LEU 49 2HD1 LEU 49 -1.974 5.568 -4.797 347 HD13 LEU 49 3HD1 LEU 49 -3.015 4.579 -3.771 348 HD21 LEU 49 1HD2 LEU 49 -3.178 7.641 -4.261 349 HD22 LEU 49 2HD2 LEU 49 -3.471 8.089 -2.578 350 HD23 LEU 49 3HD2 LEU 49 -4.318 6.713 -3.287 351 H TYR 50 H TYR 50 -4.369 6.426 0.757 352 HA TYR 50 HA TYR 50 -3.398 4.565 2.767 353 HB2 TYR 50 2HB TYR 50 -4.311 5.703 4.654 354 HB3 TYR 50 1HB TYR 50 -3.308 6.866 3.802 355 HD1 TYR 50 1HD TYR 50 -4.409 8.686 2.469 356 HD2 TYR 50 2HD TYR 50 -6.627 6.050 4.964 357 HE1 TYR 50 1HE TYR 50 -6.292 10.271 2.462 358 HE2 TYR 50 2HE TYR 50 -8.520 7.615 4.953 359 HH TYR 50 HH TYR 50 -8.734 10.232 2.811 360 H TRP 51 H TRP 51 -5.098 3.291 3.687 361 HA TRP 51 HA TRP 51 -7.244 2.900 1.795 362 HB2 TRP 51 2HB TRP 51 -6.182 0.897 2.572 363 HB3 TRP 51 1HB TRP 51 -6.388 1.369 4.257 364 HD1 TRP 51 1HD TRP 51 -8.592 0.650 5.437 365 HE1 TRP 51 1HE TRP 51 -10.712 -0.596 4.688 366 HE3 TRP 51 3HE TRP 51 -7.743 0.563 0.396 367 HZ2 TRP 51 2HZ TRP 51 -11.872 -1.496 2.286 368 HZ3 TRP 51 3HZ TRP 51 -9.409 -0.511 -1.058 369 HH2 TRP 51 2HH TRP 51 -11.431 -1.519 -0.132 370 H ASP 52 H ASP 52 -9.148 3.846 1.967 371 HA ASP 52 HA ASP 52 -10.127 4.539 4.651 372 HB2 ASP 52 1HB ASP 52 -10.079 6.444 3.117 373 HB3 ASP 52 2HB ASP 52 -11.052 5.555 1.950 374 H GLY 53 H GLY 53 -11.725 3.384 5.503 375 HA2 GLY 53 1HA GLY 53 -12.563 1.013 4.125 376 HA3 GLY 53 2HA GLY 53 -13.038 1.498 5.744 377 H GLU 54 H GLU 54 -13.840 4.153 4.271 378 HA GLU 54 HA GLU 54 -16.599 3.305 3.965 379 HB2 GLU 54 1HB GLU 54 -16.032 5.298 5.316 380 HB3 GLU 54 2HB GLU 54 -15.384 6.073 3.879 381 HG2 GLU 54 1HG GLU 54 -17.567 6.100 2.856 382 HG3 GLU 54 2HG GLU 54 -18.247 5.211 4.219 383 H LYS 55 H LYS 55 -14.128 5.026 2.058 384 HA LYS 55 HA LYS 55 -15.804 4.985 -0.297 385 HB2 LYS 55 1HB LYS 55 -12.875 5.687 -0.102 386 HB3 LYS 55 2HB LYS 55 -13.959 6.069 -1.433 387 HG2 LYS 55 1HG LYS 55 -14.017 7.201 1.356 388 HG3 LYS 55 2HG LYS 55 -13.622 8.046 -0.140 389 HD2 LYS 55 1HD LYS 55 -16.306 6.881 0.597 390 HD3 LYS 55 2HD LYS 55 -15.878 8.592 0.610 391 HE2 LYS 55 1HE LYS 55 -15.442 8.451 -1.823 392 HE3 LYS 55 2HE LYS 55 -15.984 6.773 -1.795 393 HZ1 LYS 55 1HZ LYS 55 -17.592 9.190 -1.192 394 HZ2 LYS 55 2HZ LYS 55 -18.134 7.611 -0.899 395 HZ3 LYS 55 3HZ LYS 55 -17.802 8.111 -2.486 396 H GLU 56 H GLU 56 -13.604 2.901 1.189 397 HA GLU 56 HA GLU 56 -12.877 0.813 0.730 398 HB2 GLU 56 1HB GLU 56 -14.952 0.919 -1.466 399 HB3 GLU 56 2HB GLU 56 -14.167 -0.537 -0.862 400 HG2 GLU 56 1HG GLU 56 -15.198 -0.312 1.264 401 HG3 GLU 56 2HG GLU 56 -15.792 1.298 0.869 402 H THR 57 H THR 57 -11.349 2.852 -0.283 403 HA THR 57 HA THR 57 -9.958 1.514 -2.414 404 HB THR 57 HB THR 57 -11.676 2.769 -3.675 405 HG1 THR 57 1HG THR 57 -9.808 4.290 -4.659 406 HG21 THR 57 1HG2 THR 57 -11.650 5.214 -3.705 407 HG22 THR 57 2HG2 THR 57 -10.407 5.223 -2.453 408 HG23 THR 57 3HG2 THR 57 -12.019 4.604 -2.090 409 H TYR 58 H TYR 58 -7.978 2.857 -3.030 410 HA TYR 58 HA TYR 58 -6.832 3.935 -0.576 411 HB2 TYR 58 2HB TYR 58 -5.489 3.313 -3.213 412 HB3 TYR 58 1HB TYR 58 -4.678 3.745 -1.714 413 HD1 TYR 58 1HD TYR 58 -4.591 2.151 0.156 414 HD2 TYR 58 2HD TYR 58 -6.329 1.082 -3.579 415 HE1 TYR 58 1HE TYR 58 -4.479 -0.223 0.785 416 HE2 TYR 58 2HE TYR 58 -6.221 -1.294 -2.955 417 HH TYR 58 HH TYR 58 -5.573 -2.336 0.213 418 H VAL 59 H VAL 59 -7.005 6.004 -0.245 419 HA VAL 59 HA VAL 59 -7.207 7.824 -2.537 420 HB VAL 59 HB VAL 59 -8.136 9.422 -0.722 421 HG11 VAL 59 1HG1 VAL 59 -9.692 6.993 -1.612 422 HG12 VAL 59 2HG1 VAL 59 -9.495 8.496 -2.510 423 HG13 VAL 59 3HG1 VAL 59 -10.400 8.487 -0.999 424 HG21 VAL 59 1HG2 VAL 59 -7.509 8.102 1.221 425 HG22 VAL 59 2HG2 VAL 59 -8.508 6.765 0.658 426 HG23 VAL 59 3HG2 VAL 59 -9.260 8.285 1.144 427 HA PRO 60 HA PRO 60 -3.295 9.556 -1.829 428 HB2 PRO 60 2HB PRO 60 -4.531 12.234 -2.124 429 HB3 PRO 60 1HB PRO 60 -3.214 11.495 -3.041 430 HG2 PRO 60 2HG PRO 60 -5.648 11.750 -4.098 431 HG3 PRO 60 1HG PRO 60 -4.658 10.313 -4.411 432 HD2 PRO 60 2HD PRO 60 -6.992 10.638 -2.577 433 HD3 PRO 60 1HD PRO 60 -6.532 9.253 -3.586 434 H ALA 61 H ALA 61 -2.327 9.687 0.038 435 HA ALA 61 HA ALA 61 -3.557 10.889 2.353 436 HB1 ALA 61 1HB ALA 61 -2.181 8.868 2.559 437 HB2 ALA 61 2HB ALA 61 -1.531 10.191 3.528 438 HB3 ALA 61 3HB ALA 61 -0.776 9.769 1.991 439 H ALA 62 H ALA 62 -1.692 11.947 -0.231 440 HA ALA 62 HA ALA 62 -0.794 14.334 1.227 441 HB1 ALA 62 1HB ALA 62 0.098 13.290 -1.461 442 HB2 ALA 62 2HB ALA 62 0.974 13.118 0.058 443 HB3 ALA 62 3HB ALA 62 0.732 14.718 -0.640 444 H GLU 63 H GLU 63 -3.524 13.824 0.388 445 HA GLU 63 HA GLU 63 -4.068 15.474 -1.890 446 HB2 GLU 63 1HB GLU 63 -5.579 13.647 -1.256 447 HB3 GLU 63 2HB GLU 63 -5.899 14.431 0.284 448 HG2 GLU 63 1HG GLU 63 -7.746 14.825 -1.160 449 HG3 GLU 63 2HG GLU 63 -6.878 16.343 -0.952 450 H SER 64 H SER 64 -3.757 17.590 -1.821 451 HA SER 64 HA SER 64 -3.837 19.055 0.659 452 HB2 SER 64 1HB SER 64 -3.447 20.058 -2.171 453 HB3 SER 64 2HB SER 64 -3.105 20.950 -0.689 454 HG SER 64 HG SER 64 -1.430 19.561 -0.236 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -27.647 -5.933 -6.149 2 H2 GLY 1 2H GLY 1 -28.634 -4.822 -5.329 3 H3 GLY 1 3H GLY 1 -29.313 -6.210 -6.024 4 HA2 GLY 1 1HA GLY 1 -29.080 -6.370 -3.586 5 HA3 GLY 1 2HA GLY 1 -28.240 -7.632 -4.477 6 H ALA 2 H ALA 2 -27.091 -7.733 -2.332 7 HA ALA 2 HA ALA 2 -25.061 -5.647 -2.016 8 HB1 ALA 2 1HB ALA 2 -26.253 -6.356 -0.010 9 HB2 ALA 2 2HB ALA 2 -24.533 -6.738 0.107 10 HB3 ALA 2 3HB ALA 2 -25.699 -8.013 -0.257 11 H MET 3 H MET 3 -25.308 -8.151 -3.966 12 HA MET 3 HA MET 3 -22.758 -9.430 -3.454 13 HB2 MET 3 1HB MET 3 -24.730 -9.778 -5.719 14 HB3 MET 3 2HB MET 3 -23.275 -10.740 -5.501 15 HG2 MET 3 1HG MET 3 -24.136 -11.588 -3.393 16 HG3 MET 3 2HG MET 3 -25.585 -10.599 -3.579 17 HE1 MET 3 1HE MET 3 -27.117 -12.713 -3.233 18 HE2 MET 3 2HE MET 3 -25.689 -13.728 -3.031 19 HE3 MET 3 3HE MET 3 -26.960 -14.209 -4.155 20 H GLY 4 H GLY 4 -21.780 -7.200 -3.623 21 HA2 GLY 4 1HA GLY 4 -20.641 -6.979 -6.302 22 HA3 GLY 4 2HA GLY 4 -21.439 -5.548 -5.662 23 H THR 5 H THR 5 -19.691 -7.803 -3.650 24 HA THR 5 HA THR 5 -18.044 -5.719 -2.592 25 HB THR 5 HB THR 5 -17.791 -8.697 -2.196 26 HG1 THR 5 1HG THR 5 -19.270 -6.751 -0.724 27 HG21 THR 5 1HG2 THR 5 -15.818 -7.471 -1.451 28 HG22 THR 5 2HG2 THR 5 -16.723 -8.078 -0.063 29 HG23 THR 5 3HG2 THR 5 -16.836 -6.376 -0.514 30 H LYS 6 H LYS 6 -16.040 -5.145 -3.146 31 HA LYS 6 HA LYS 6 -14.629 -6.770 -5.161 32 HB2 LYS 6 1HB LYS 6 -14.774 -3.750 -5.190 33 HB3 LYS 6 2HB LYS 6 -14.046 -4.791 -6.404 34 HG2 LYS 6 1HG LYS 6 -16.223 -5.661 -7.010 35 HG3 LYS 6 2HG LYS 6 -16.983 -4.691 -5.746 36 HD2 LYS 6 1HD LYS 6 -16.050 -2.659 -6.902 37 HD3 LYS 6 2HD LYS 6 -15.589 -3.721 -8.234 38 HE2 LYS 6 1HE LYS 6 -17.706 -2.693 -8.741 39 HE3 LYS 6 2HE LYS 6 -17.954 -4.414 -8.449 40 HZ1 LYS 6 1HZ LYS 6 -18.538 -2.179 -6.583 41 HZ2 LYS 6 2HZ LYS 6 -18.608 -3.811 -6.146 42 HZ3 LYS 6 3HZ LYS 6 -19.662 -3.209 -7.328 43 H TYR 7 H TYR 7 -13.986 -3.677 -3.547 44 HA TYR 7 HA TYR 7 -11.354 -4.676 -2.775 45 HB2 TYR 7 2HB TYR 7 -12.559 -1.916 -2.908 46 HB3 TYR 7 1HB TYR 7 -11.021 -2.222 -2.109 47 HD1 TYR 7 1HD TYR 7 -12.746 -2.728 -5.382 48 HD2 TYR 7 2HD TYR 7 -9.060 -2.141 -3.342 49 HE1 TYR 7 1HE TYR 7 -11.583 -2.554 -7.539 50 HE2 TYR 7 2HE TYR 7 -7.889 -1.963 -5.494 51 HH TYR 7 HH TYR 7 -9.596 -1.739 -8.500 52 H ALA 8 H ALA 8 -10.814 -5.137 -0.740 53 HA ALA 8 HA ALA 8 -12.597 -4.252 1.422 54 HB1 ALA 8 1HB ALA 8 -12.332 -6.389 2.535 55 HB2 ALA 8 2HB ALA 8 -11.299 -6.970 1.227 56 HB3 ALA 8 3HB ALA 8 -13.004 -6.630 0.922 57 H VAL 9 H VAL 9 -11.377 -4.708 3.625 58 HA VAL 9 HA VAL 9 -9.114 -3.064 3.664 59 HB VAL 9 HB VAL 9 -8.780 -3.796 5.989 60 HG11 VAL 9 1HG1 VAL 9 -11.655 -3.277 5.262 61 HG12 VAL 9 2HG1 VAL 9 -10.404 -2.060 5.510 62 HG13 VAL 9 3HG1 VAL 9 -10.948 -3.055 6.861 63 HG21 VAL 9 1HG2 VAL 9 -9.343 -6.170 5.717 64 HG22 VAL 9 2HG2 VAL 9 -11.032 -5.732 5.463 65 HG23 VAL 9 3HG2 VAL 9 -10.267 -5.423 7.021 66 HA PRO 10 HA PRO 10 -6.018 -5.987 2.475 67 HB2 PRO 10 2HB PRO 10 -3.922 -4.239 2.674 68 HB3 PRO 10 1HB PRO 10 -5.036 -4.309 1.309 69 HG2 PRO 10 2HG PRO 10 -4.765 -2.256 3.350 70 HG3 PRO 10 1HG PRO 10 -5.673 -2.212 1.834 71 HD2 PRO 10 2HD PRO 10 -6.654 -2.643 4.526 72 HD3 PRO 10 1HD PRO 10 -7.573 -2.422 3.028 73 H ASP 11 H ASP 11 -4.342 -7.188 3.317 74 HA ASP 11 HA ASP 11 -3.608 -6.657 6.117 75 HB2 ASP 11 1HB ASP 11 -5.057 -8.656 5.936 76 HB3 ASP 11 2HB ASP 11 -3.911 -9.365 4.802 77 H THR 12 H THR 12 -1.447 -6.515 6.510 78 HA THR 12 HA THR 12 0.187 -6.470 4.118 79 HB THR 12 HB THR 12 1.836 -5.294 5.551 80 HG1 THR 12 1HG THR 12 1.267 -4.823 7.680 81 HG21 THR 12 1HG2 THR 12 0.472 -3.266 5.871 82 HG22 THR 12 2HG2 THR 12 -0.991 -4.226 5.640 83 HG23 THR 12 3HG2 THR 12 0.154 -4.030 4.312 84 H SER 13 H SER 13 -0.514 -8.884 6.163 85 HA SER 13 HA SER 13 2.170 -10.036 6.312 86 HB2 SER 13 1HB SER 13 0.397 -10.447 8.089 87 HB3 SER 13 2HB SER 13 -0.497 -11.360 6.874 88 HG SER 13 HG SER 13 1.622 -12.117 8.397 89 H THR 14 H THR 14 -0.616 -9.864 4.440 90 HA THR 14 HA THR 14 -0.229 -12.062 2.700 91 HB THR 14 HB THR 14 -1.953 -9.631 2.926 92 HG1 THR 14 1HG THR 14 -3.583 -11.187 3.000 93 HG21 THR 14 1HG2 THR 14 -3.102 -10.176 0.861 94 HG22 THR 14 2HG2 THR 14 -1.856 -11.368 0.487 95 HG23 THR 14 3HG2 THR 14 -1.443 -9.657 0.597 96 H TYR 15 H TYR 15 1.159 -8.984 3.084 97 HA TYR 15 HA TYR 15 1.743 -8.443 0.331 98 HB2 TYR 15 2HB TYR 15 2.586 -7.157 2.918 99 HB3 TYR 15 1HB TYR 15 3.244 -6.651 1.366 100 HD1 TYR 15 1HD TYR 15 -0.247 -7.730 1.845 101 HD2 TYR 15 2HD TYR 15 2.389 -4.426 1.415 102 HE1 TYR 15 1HE TYR 15 -2.173 -6.246 1.522 103 HE2 TYR 15 2HE TYR 15 0.467 -2.929 1.096 104 HH TYR 15 HH TYR 15 -2.078 -3.406 0.165 105 H GLN 16 H GLN 16 3.989 -8.033 -0.374 106 HA GLN 16 HA GLN 16 5.735 -10.232 0.537 107 HB2 GLN 16 1HB GLN 16 5.838 -8.909 -2.174 108 HB3 GLN 16 2HB GLN 16 6.484 -10.478 -1.704 109 HG2 GLN 16 1HG GLN 16 4.210 -11.333 -1.442 110 HG3 GLN 16 2HG GLN 16 3.569 -9.762 -1.916 111 HE21 GLN 16 1HE2 GLN 16 3.658 -12.170 -4.783 112 HE22 GLN 16 2HE2 GLN 16 3.073 -12.275 -3.154 113 H TYR 17 H TYR 17 7.219 -9.322 1.883 114 HA TYR 17 HA TYR 17 7.925 -6.566 1.677 115 HB2 TYR 17 2HB TYR 17 7.829 -7.636 3.853 116 HB3 TYR 17 1HB TYR 17 9.094 -8.769 3.384 117 HD1 TYR 17 1HD TYR 17 8.437 -5.139 3.873 118 HD2 TYR 17 2HD TYR 17 11.341 -8.246 3.768 119 HE1 TYR 17 1HE TYR 17 10.143 -3.562 4.677 120 HE2 TYR 17 2HE TYR 17 13.054 -6.680 4.578 121 HH TYR 17 HH TYR 17 12.305 -3.643 5.868 122 H ASP 18 H ASP 18 9.485 -5.648 0.534 123 HA ASP 18 HA ASP 18 11.698 -7.345 -0.407 124 HB2 ASP 18 1HB ASP 18 10.584 -6.270 -2.264 125 HB3 ASP 18 2HB ASP 18 10.705 -4.700 -1.481 126 H GLU 19 H GLU 19 13.660 -6.989 0.281 127 HA GLU 19 HA GLU 19 14.072 -5.087 2.413 128 HB2 GLU 19 1HB GLU 19 16.256 -6.236 2.615 129 HB3 GLU 19 2HB GLU 19 14.883 -7.325 2.650 130 HG2 GLU 19 1HG GLU 19 15.256 -7.866 0.289 131 HG3 GLU 19 2HG GLU 19 16.685 -6.833 0.308 132 H SER 20 H SER 20 14.764 -5.370 -0.938 133 HA SER 20 HA SER 20 17.046 -3.645 -0.957 134 HB2 SER 20 1HB SER 20 16.622 -5.414 -2.654 135 HB3 SER 20 2HB SER 20 15.244 -4.482 -3.239 136 HG SER 20 HG SER 20 17.153 -4.098 -4.469 137 H SER 21 H SER 21 13.628 -3.251 -1.055 138 HA SER 21 HA SER 21 13.971 -0.410 -1.744 139 HB2 SER 21 1HB SER 21 12.485 -1.867 -3.224 140 HB3 SER 21 2HB SER 21 11.364 -1.931 -1.867 141 HG SER 21 HG SER 21 11.339 -0.141 -3.661 142 H GLY 22 H GLY 22 12.676 -2.685 0.589 143 HA2 GLY 22 1HA GLY 22 12.442 -2.268 2.878 144 HA3 GLY 22 2HA GLY 22 12.645 -0.549 2.565 145 H TYR 23 H TYR 23 10.397 -2.366 0.692 146 HA TYR 23 HA TYR 23 8.158 -1.215 2.224 147 HB2 TYR 23 2HB TYR 23 8.453 -1.412 -0.781 148 HB3 TYR 23 1HB TYR 23 6.959 -0.984 0.041 149 HD1 TYR 23 1HD TYR 23 10.100 0.194 -1.225 150 HD2 TYR 23 2HD TYR 23 6.895 1.136 1.402 151 HE1 TYR 23 1HE TYR 23 10.762 2.557 -1.280 152 HE2 TYR 23 2HE TYR 23 7.550 3.501 1.362 153 HH TYR 23 HH TYR 23 9.351 4.921 0.837 154 H TYR 24 H TYR 24 6.235 -2.422 2.216 155 HA TYR 24 HA TYR 24 6.484 -5.235 1.507 156 HB2 TYR 24 2HB TYR 24 4.320 -3.618 2.852 157 HB3 TYR 24 1HB TYR 24 4.070 -5.293 2.367 158 HD1 TYR 24 1HD TYR 24 5.323 -7.097 3.455 159 HD2 TYR 24 2HD TYR 24 5.666 -3.063 4.760 160 HE1 TYR 24 1HE TYR 24 6.311 -7.872 5.559 161 HE2 TYR 24 2HE TYR 24 6.660 -3.826 6.874 162 HH TYR 24 HH TYR 24 7.893 -6.860 7.341 163 H TYR 25 H TYR 25 6.097 -5.839 -0.544 164 HA TYR 25 HA TYR 25 4.796 -4.051 -2.356 165 HB2 TYR 25 2HB TYR 25 6.584 -5.424 -3.211 166 HB3 TYR 25 1HB TYR 25 5.766 -6.897 -2.696 167 HD1 TYR 25 1HD TYR 25 5.318 -3.951 -4.939 168 HD2 TYR 25 2HD TYR 25 4.428 -8.047 -4.211 169 HE1 TYR 25 1HE TYR 25 4.214 -4.095 -7.134 170 HE2 TYR 25 2HE TYR 25 3.324 -8.206 -6.400 171 HH TYR 25 HH TYR 25 3.604 -5.767 -8.789 172 H ASP 26 H ASP 26 2.792 -4.021 -3.039 173 HA ASP 26 HA ASP 26 0.883 -5.924 -1.892 174 HB2 ASP 26 1HB ASP 26 0.400 -3.643 -1.306 175 HB3 ASP 26 2HB ASP 26 0.576 -3.116 -2.972 176 HA PRO 27 HA PRO 27 0.637 -7.308 -6.252 177 HB2 PRO 27 2HB PRO 27 -0.235 -9.795 -5.609 178 HB3 PRO 27 1HB PRO 27 1.478 -9.357 -5.617 179 HG2 PRO 27 2HG PRO 27 -0.413 -9.546 -3.299 180 HG3 PRO 27 1HG PRO 27 1.261 -10.124 -3.431 181 HD2 PRO 27 2HD PRO 27 0.633 -7.810 -2.180 182 HD3 PRO 27 1HD PRO 27 2.150 -8.032 -3.070 183 H THR 28 H THR 28 -1.524 -6.909 -3.649 184 HA THR 28 HA THR 28 -3.921 -7.913 -4.710 185 HB THR 28 HB THR 28 -3.947 -5.473 -2.985 186 HG1 THR 28 1HG THR 28 -2.601 -6.373 -1.637 187 HG21 THR 28 1HG2 THR 28 -5.703 -6.734 -1.828 188 HG22 THR 28 2HG2 THR 28 -5.416 -8.112 -2.891 189 HG23 THR 28 3HG2 THR 28 -6.041 -6.603 -3.554 190 H THR 29 H THR 29 -2.612 -4.604 -4.669 191 HA THR 29 HA THR 29 -4.402 -3.940 -6.916 192 HB THR 29 HB THR 29 -3.194 -1.923 -5.033 193 HG1 THR 29 1HG THR 29 -4.397 -3.136 -3.655 194 HG21 THR 29 1HG2 THR 29 -4.122 -1.072 -7.126 195 HG22 THR 29 2HG2 THR 29 -5.115 -0.569 -5.758 196 HG23 THR 29 3HG2 THR 29 -5.647 -1.894 -6.796 197 H GLY 30 H GLY 30 -1.179 -3.502 -5.520 198 HA2 GLY 30 1HA GLY 30 0.676 -3.715 -7.195 199 HA3 GLY 30 2HA GLY 30 -0.237 -2.571 -8.177 200 H LEU 31 H LEU 31 0.279 -2.556 -4.703 201 HA LEU 31 HA LEU 31 1.479 0.127 -4.994 202 HB2 LEU 31 1HB LEU 31 -0.210 -0.947 -2.734 203 HB3 LEU 31 2HB LEU 31 0.491 0.657 -2.805 204 HG LEU 31 HG LEU 31 -1.621 -0.422 -4.674 205 HD11 LEU 31 1HD1 LEU 31 -1.790 1.623 -2.466 206 HD12 LEU 31 2HD1 LEU 31 -2.454 -0.010 -2.416 207 HD13 LEU 31 3HD1 LEU 31 -3.098 1.170 -3.560 208 HD21 LEU 31 1HD2 LEU 31 -1.742 1.867 -5.524 209 HD22 LEU 31 2HD2 LEU 31 -0.138 1.178 -5.779 210 HD23 LEU 31 3HD2 LEU 31 -0.404 2.332 -4.473 211 H TYR 32 H TYR 32 2.720 0.761 -2.950 212 HA TYR 32 HA TYR 32 4.117 -1.563 -1.793 213 HB2 TYR 32 2HB TYR 32 5.184 1.106 -2.671 214 HB3 TYR 32 1HB TYR 32 6.014 0.178 -1.431 215 HD1 TYR 32 1HD TYR 32 6.989 -2.029 -1.995 216 HD2 TYR 32 2HD TYR 32 5.331 0.507 -4.981 217 HE1 TYR 32 1HE TYR 32 8.176 -3.306 -3.723 218 HE2 TYR 32 2HE TYR 32 6.509 -0.770 -6.724 219 HH TYR 32 HH TYR 32 7.973 -3.774 -6.142 220 H TYR 33 H TYR 33 3.869 -1.752 0.341 221 HA TYR 33 HA TYR 33 2.630 0.450 1.793 222 HB2 TYR 33 2HB TYR 33 1.569 -1.684 2.079 223 HB3 TYR 33 1HB TYR 33 3.099 -2.453 2.479 224 HD1 TYR 33 1HD TYR 33 0.610 0.014 3.696 225 HD2 TYR 33 2HD TYR 33 3.855 -2.545 4.694 226 HE1 TYR 33 1HE TYR 33 0.182 0.412 6.084 227 HE2 TYR 33 2HE TYR 33 3.442 -2.153 7.082 228 HH TYR 33 HH TYR 33 0.600 -0.776 8.238 229 H ASP 34 H ASP 34 3.797 1.803 2.973 230 HA ASP 34 HA ASP 34 6.549 1.163 3.659 231 HB2 ASP 34 1HB ASP 34 5.814 3.469 2.912 232 HB3 ASP 34 2HB ASP 34 4.953 3.617 4.438 233 HA PRO 35 HA PRO 35 4.949 -0.733 7.378 234 HB2 PRO 35 2HB PRO 35 7.439 -1.327 8.419 235 HB3 PRO 35 1HB PRO 35 6.527 -2.352 7.308 236 HG2 PRO 35 2HG PRO 35 8.814 -0.541 6.765 237 HG3 PRO 35 1HG PRO 35 8.370 -2.062 5.979 238 HD2 PRO 35 2HD PRO 35 7.961 0.404 4.879 239 HD3 PRO 35 1HD PRO 35 6.975 -1.020 4.499 240 H ASN 36 H ASN 36 7.278 1.865 7.274 241 HA ASN 36 HA ASN 36 7.115 2.277 10.148 242 HB2 ASN 36 1HB ASN 36 9.240 2.545 8.737 243 HB3 ASN 36 2HB ASN 36 8.541 4.064 8.195 244 HD21 ASN 36 1HD2 ASN 36 9.073 3.925 12.221 245 HD22 ASN 36 2HD2 ASN 36 8.190 2.673 11.402 246 H SER 37 H SER 37 6.210 3.941 7.162 247 HA SER 37 HA SER 37 4.984 6.113 8.666 248 HB2 SER 37 1HB SER 37 4.910 5.696 5.674 249 HB3 SER 37 2HB SER 37 4.718 7.207 6.565 250 HG SER 37 HG SER 37 7.078 5.639 6.292 251 H GLN 38 H GLN 38 4.095 3.140 7.295 252 HA GLN 38 HA GLN 38 2.186 1.967 7.161 253 HB2 GLN 38 1HB GLN 38 1.226 4.089 9.069 254 HB3 GLN 38 2HB GLN 38 0.261 2.690 8.613 255 HG2 GLN 38 1HG GLN 38 1.954 1.203 9.507 256 HG3 GLN 38 2HG GLN 38 2.971 2.579 9.921 257 HE21 GLN 38 1HE2 GLN 38 0.157 3.537 12.289 258 HE22 GLN 38 2HE2 GLN 38 0.619 4.163 10.748 259 H TYR 39 H TYR 39 2.733 4.214 5.308 260 HA TYR 39 HA TYR 39 0.001 4.607 4.296 261 HB2 TYR 39 2HB TYR 39 2.558 6.116 3.796 262 HB3 TYR 39 1HB TYR 39 1.189 6.243 2.704 263 HD1 TYR 39 1HD TYR 39 -1.082 6.292 4.549 264 HD2 TYR 39 2HD TYR 39 2.716 8.180 4.844 265 HE1 TYR 39 1HE TYR 39 -2.078 8.060 5.932 266 HE2 TYR 39 2HE TYR 39 1.734 9.955 6.234 267 HH TYR 39 HH TYR 39 -0.462 10.973 6.629 268 H TYR 40 H TYR 40 -0.159 4.554 1.888 269 HA TYR 40 HA TYR 40 1.416 2.306 0.850 270 HB2 TYR 40 2HB TYR 40 -1.287 3.381 0.034 271 HB3 TYR 40 1HB TYR 40 -0.424 2.128 -0.855 272 HD1 TYR 40 1HD TYR 40 -2.480 2.870 2.028 273 HD2 TYR 40 2HD TYR 40 0.035 -0.055 0.234 274 HE1 TYR 40 1HE TYR 40 -3.407 1.161 3.532 275 HE2 TYR 40 2HE TYR 40 -0.891 -1.772 1.725 276 HH TYR 40 HH TYR 40 -2.022 -1.961 3.836 277 H TYR 41 H TYR 41 2.533 2.469 -0.974 278 HA TYR 41 HA TYR 41 2.810 5.148 -2.132 279 HB2 TYR 41 2HB TYR 41 4.854 4.380 -1.101 280 HB3 TYR 41 1HB TYR 41 4.743 2.833 -1.927 281 HD1 TYR 41 1HD TYR 41 6.176 2.529 -3.676 282 HD2 TYR 41 2HD TYR 41 4.780 6.463 -2.855 283 HE1 TYR 41 1HE TYR 41 7.547 3.394 -5.520 284 HE2 TYR 41 2HE TYR 41 6.144 7.340 -4.699 285 HH TYR 41 HH TYR 41 7.721 5.243 -6.973 286 H ASN 42 H ASN 42 1.809 5.346 -3.992 287 HA ASN 42 HA ASN 42 1.005 3.099 -5.577 288 HB2 ASN 42 1HB ASN 42 -0.249 5.293 -5.389 289 HB3 ASN 42 2HB ASN 42 1.010 6.019 -6.381 290 HD21 ASN 42 1HD2 ASN 42 -1.979 4.837 -8.369 291 HD22 ASN 42 2HD2 ASN 42 -1.844 5.724 -6.893 292 H SER 43 H SER 43 2.380 1.999 -6.825 293 HA SER 43 HA SER 43 4.961 3.026 -7.479 294 HB2 SER 43 1HB SER 43 4.435 0.612 -6.991 295 HB3 SER 43 2HB SER 43 3.639 0.527 -8.559 296 HG SER 43 HG SER 43 6.076 1.598 -8.858 297 H LEU 44 H LEU 44 1.914 3.195 -8.984 298 HA LEU 44 HA LEU 44 2.959 3.471 -11.678 299 HB2 LEU 44 1HB LEU 44 0.844 2.315 -11.346 300 HB3 LEU 44 2HB LEU 44 0.170 3.723 -10.552 301 HG LEU 44 HG LEU 44 0.378 4.972 -12.695 302 HD11 LEU 44 1HD1 LEU 44 0.741 3.713 -14.756 303 HD12 LEU 44 2HD1 LEU 44 1.110 2.271 -13.810 304 HD13 LEU 44 3HD1 LEU 44 2.164 3.682 -13.716 305 HD21 LEU 44 1HD2 LEU 44 -1.725 3.924 -12.015 306 HD22 LEU 44 2HD2 LEU 44 -1.243 2.436 -12.835 307 HD23 LEU 44 3HD2 LEU 44 -1.523 3.908 -13.766 308 H THR 45 H THR 45 1.252 5.508 -9.311 309 HA THR 45 HA THR 45 1.677 7.837 -11.019 310 HB THR 45 HB THR 45 0.177 7.822 -8.403 311 HG1 THR 45 1HG THR 45 -0.876 7.206 -10.995 312 HG21 THR 45 1HG2 THR 45 0.611 10.006 -9.391 313 HG22 THR 45 2HG2 THR 45 -1.105 9.617 -9.500 314 HG23 THR 45 3HG2 THR 45 -0.074 9.470 -10.925 315 H GLN 46 H GLN 46 3.054 6.313 -8.353 316 HA GLN 46 HA GLN 46 4.747 6.772 -6.938 317 HB2 GLN 46 1HB GLN 46 5.238 9.153 -8.734 318 HB3 GLN 46 2HB GLN 46 6.377 8.473 -7.577 319 HG2 GLN 46 1HG GLN 46 6.467 6.407 -8.830 320 HG3 GLN 46 2HG GLN 46 5.263 7.017 -9.967 321 HE21 GLN 46 1HE2 GLN 46 7.876 9.627 -10.852 322 HE22 GLN 46 2HE2 GLN 46 6.441 9.722 -9.890 323 H GLN 47 H GLN 47 2.352 7.469 -6.008 324 HA GLN 47 HA GLN 47 2.884 9.927 -4.491 325 HB2 GLN 47 1HB GLN 47 0.526 10.510 -4.568 326 HB3 GLN 47 2HB GLN 47 1.141 10.338 -6.204 327 HG2 GLN 47 1HG GLN 47 0.157 8.113 -6.351 328 HG3 GLN 47 2HG GLN 47 -0.468 8.283 -4.711 329 HE21 GLN 47 1HE2 GLN 47 -2.532 11.153 -6.079 330 HE22 GLN 47 2HE2 GLN 47 -1.120 11.120 -5.076 331 H TYR 48 H TYR 48 1.620 9.981 -2.418 332 HA TYR 48 HA TYR 48 1.656 7.290 -1.263 333 HB2 TYR 48 2HB TYR 48 2.060 10.019 -0.112 334 HB3 TYR 48 1HB TYR 48 1.525 8.706 0.936 335 HD1 TYR 48 1HD TYR 48 3.108 7.370 1.939 336 HD2 TYR 48 2HD TYR 48 4.157 9.452 -1.617 337 HE1 TYR 48 1HE TYR 48 5.414 6.556 2.152 338 HE2 TYR 48 2HE TYR 48 6.471 8.648 -1.412 339 HH TYR 48 HH TYR 48 7.992 7.793 0.193 340 H LEU 49 H LEU 49 -0.009 6.456 -0.110 341 HA LEU 49 HA LEU 49 -2.613 7.804 -0.383 342 HB2 LEU 49 1HB LEU 49 -1.993 5.003 -1.341 343 HB3 LEU 49 2HB LEU 49 -3.569 5.763 -1.357 344 HG LEU 49 HG LEU 49 -1.294 6.987 -2.880 345 HD11 LEU 49 1HD1 LEU 49 -1.397 4.647 -3.577 346 HD12 LEU 49 2HD1 LEU 49 -1.986 5.723 -4.844 347 HD13 LEU 49 3HD1 LEU 49 -3.131 4.807 -3.863 348 HD21 LEU 49 1HD2 LEU 49 -4.287 6.962 -3.227 349 HD22 LEU 49 2HD2 LEU 49 -3.139 7.805 -4.271 350 HD23 LEU 49 3HD2 LEU 49 -3.322 8.293 -2.582 351 H TYR 50 H TYR 50 -4.346 6.576 0.764 352 HA TYR 50 HA TYR 50 -3.420 4.623 2.718 353 HB2 TYR 50 2HB TYR 50 -4.436 5.711 4.604 354 HB3 TYR 50 1HB TYR 50 -3.336 6.854 3.852 355 HD1 TYR 50 1HD TYR 50 -6.738 6.182 4.843 356 HD2 TYR 50 2HD TYR 50 -4.297 8.737 2.472 357 HE1 TYR 50 1HE TYR 50 -8.548 7.844 4.780 358 HE2 TYR 50 2HE TYR 50 -6.093 10.407 2.413 359 HH TYR 50 HH TYR 50 -8.526 10.505 2.670 360 H TRP 51 H TRP 51 -5.085 3.248 3.472 361 HA TRP 51 HA TRP 51 -7.215 2.913 1.567 362 HB2 TRP 51 2HB TRP 51 -6.149 0.905 2.347 363 HB3 TRP 51 1HB TRP 51 -6.406 1.356 4.031 364 HD1 TRP 51 1HD TRP 51 -8.596 0.526 5.150 365 HE1 TRP 51 1HE TRP 51 -10.690 -0.737 4.338 366 HE3 TRP 51 3HE TRP 51 -7.711 0.635 0.117 367 HZ2 TRP 51 2HZ TRP 51 -11.806 -1.578 1.899 368 HZ3 TRP 51 3HZ TRP 51 -9.340 -0.429 -1.386 369 HH2 TRP 51 2HH TRP 51 -11.344 -1.513 -0.514 370 H ASP 52 H ASP 52 -9.058 4.003 1.707 371 HA ASP 52 HA ASP 52 -10.126 4.601 4.378 372 HB2 ASP 52 1HB ASP 52 -10.084 6.569 2.988 373 HB3 ASP 52 2HB ASP 52 -10.881 5.716 1.663 374 H GLY 53 H GLY 53 -11.727 3.446 5.165 375 HA2 GLY 53 1HA GLY 53 -12.741 1.224 3.642 376 HA3 GLY 53 2HA GLY 53 -13.112 1.601 5.319 377 H GLU 54 H GLU 54 -13.755 4.441 4.071 378 HA GLU 54 HA GLU 54 -16.574 3.870 3.832 379 HB2 GLU 54 1HB GLU 54 -15.575 5.912 4.972 380 HB3 GLU 54 2HB GLU 54 -15.210 6.519 3.363 381 HG2 GLU 54 1HG GLU 54 -17.243 7.512 4.142 382 HG3 GLU 54 2HG GLU 54 -17.612 6.409 2.815 383 H LYS 55 H LYS 55 -14.092 5.340 1.741 384 HA LYS 55 HA LYS 55 -15.771 5.265 -0.589 385 HB2 LYS 55 1HB LYS 55 -12.775 5.642 -0.416 386 HB3 LYS 55 2HB LYS 55 -13.790 6.014 -1.801 387 HG2 LYS 55 1HG LYS 55 -14.885 7.774 -0.560 388 HG3 LYS 55 2HG LYS 55 -13.963 7.364 0.884 389 HD2 LYS 55 1HD LYS 55 -11.885 7.890 -0.311 390 HD3 LYS 55 2HD LYS 55 -12.826 8.339 -1.734 391 HE2 LYS 55 1HE LYS 55 -12.988 9.660 0.974 392 HE3 LYS 55 2HE LYS 55 -12.123 10.296 -0.425 393 HZ1 LYS 55 1HZ LYS 55 -15.051 9.937 -0.110 394 HZ2 LYS 55 2HZ LYS 55 -14.319 10.247 -1.609 395 HZ3 LYS 55 3HZ LYS 55 -14.196 11.382 -0.358 396 H GLU 56 H GLU 56 -13.771 3.020 0.992 397 HA GLU 56 HA GLU 56 -13.001 0.936 0.544 398 HB2 GLU 56 1HB GLU 56 -15.034 1.102 -1.689 399 HB3 GLU 56 2HB GLU 56 -14.157 -0.359 -1.263 400 HG2 GLU 56 1HG GLU 56 -15.219 -0.507 0.835 401 HG3 GLU 56 2HG GLU 56 -15.874 1.125 0.700 402 H THR 57 H THR 57 -11.407 2.976 -0.316 403 HA THR 57 HA THR 57 -9.989 1.752 -2.496 404 HB THR 57 HB THR 57 -11.739 3.152 -3.644 405 HG1 THR 57 1HG THR 57 -9.661 4.472 -4.625 406 HG21 THR 57 1HG2 THR 57 -11.813 5.015 -2.056 407 HG22 THR 57 2HG2 THR 57 -11.436 5.583 -3.683 408 HG23 THR 57 3HG2 THR 57 -10.155 5.446 -2.479 409 H TYR 58 H TYR 58 -8.025 3.125 -3.072 410 HA TYR 58 HA TYR 58 -6.840 4.117 -0.587 411 HB2 TYR 58 2HB TYR 58 -5.472 3.482 -3.212 412 HB3 TYR 58 1HB TYR 58 -4.693 3.797 -1.666 413 HD1 TYR 58 1HD TYR 58 -6.570 1.333 -3.640 414 HD2 TYR 58 2HD TYR 58 -4.608 2.099 0.060 415 HE1 TYR 58 1HE TYR 58 -6.607 -1.072 -3.130 416 HE2 TYR 58 2HE TYR 58 -4.641 -0.305 0.579 417 HH TYR 58 HH TYR 58 -5.813 -2.306 -0.016 418 H VAL 59 H VAL 59 -6.932 6.204 -0.268 419 HA VAL 59 HA VAL 59 -6.999 8.002 -2.594 420 HB VAL 59 HB VAL 59 -7.943 9.651 -0.819 421 HG11 VAL 59 1HG1 VAL 59 -10.233 8.824 -1.245 422 HG12 VAL 59 2HG1 VAL 59 -9.552 7.315 -1.854 423 HG13 VAL 59 3HG1 VAL 59 -9.236 8.832 -2.700 424 HG21 VAL 59 1HG2 VAL 59 -8.576 7.008 0.497 425 HG22 VAL 59 2HG2 VAL 59 -9.220 8.581 0.969 426 HG23 VAL 59 3HG2 VAL 59 -7.493 8.248 1.132 427 HA PRO 60 HA PRO 60 -3.149 9.845 -1.688 428 HB2 PRO 60 2HB PRO 60 -3.813 12.543 -1.802 429 HB3 PRO 60 1HB PRO 60 -3.407 11.524 -3.187 430 HG2 PRO 60 2HG PRO 60 -6.086 12.331 -2.146 431 HG3 PRO 60 1HG PRO 60 -5.541 12.147 -3.823 432 HD2 PRO 60 2HD PRO 60 -7.069 10.296 -2.641 433 HD3 PRO 60 1HD PRO 60 -5.780 9.841 -3.777 434 H ALA 61 H ALA 61 -2.097 10.086 0.146 435 HA ALA 61 HA ALA 61 -3.572 10.986 2.514 436 HB1 ALA 61 1HB ALA 61 -2.511 8.780 2.598 437 HB2 ALA 61 2HB ALA 61 -1.836 9.879 3.800 438 HB3 ALA 61 3HB ALA 61 -0.938 9.533 2.321 439 H ALA 62 H ALA 62 -1.686 12.372 0.267 440 HA ALA 62 HA ALA 62 -0.754 14.415 2.131 441 HB1 ALA 62 1HB ALA 62 1.153 12.921 1.804 442 HB2 ALA 62 2HB ALA 62 1.451 14.509 1.100 443 HB3 ALA 62 3HB ALA 62 1.034 13.147 0.059 444 H GLU 63 H GLU 63 -2.588 15.529 1.203 445 HA GLU 63 HA GLU 63 -2.180 16.453 -1.553 446 HB2 GLU 63 1HB GLU 63 -4.435 15.620 -0.945 447 HB3 GLU 63 2HB GLU 63 -4.549 16.867 0.290 448 HG2 GLU 63 1HG GLU 63 -4.490 18.592 -1.393 449 HG3 GLU 63 2HG GLU 63 -4.245 17.388 -2.657 450 H SER 64 H SER 64 -2.434 17.537 1.774 451 HA SER 64 HA SER 64 -1.745 20.265 1.039 452 HB2 SER 64 1HB SER 64 -2.216 18.997 3.752 453 HB3 SER 64 2HB SER 64 -1.967 20.719 3.457 454 HG SER 64 HG SER 64 -3.912 20.872 2.521 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -27.902 -11.636 2.369 2 H2 GLY 1 2H GLY 1 -27.109 -13.113 2.637 3 H3 GLY 1 3H GLY 1 -27.008 -12.356 1.124 4 HA2 GLY 1 1HA GLY 1 -25.948 -11.187 3.631 5 HA3 GLY 1 2HA GLY 1 -24.977 -12.104 2.486 6 H ALA 2 H ALA 2 -23.930 -9.802 2.774 7 HA ALA 2 HA ALA 2 -25.090 -7.805 1.034 8 HB1 ALA 2 1HB ALA 2 -22.402 -7.918 2.397 9 HB2 ALA 2 2HB ALA 2 -23.839 -7.079 2.983 10 HB3 ALA 2 3HB ALA 2 -23.037 -6.534 1.508 11 H MET 3 H MET 3 -21.975 -9.535 1.043 12 HA MET 3 HA MET 3 -20.649 -10.336 -0.613 13 HB2 MET 3 1HB MET 3 -22.668 -11.826 -0.765 14 HB3 MET 3 2HB MET 3 -23.250 -10.812 -2.075 15 HG2 MET 3 1HG MET 3 -21.330 -11.385 -3.426 16 HG3 MET 3 2HG MET 3 -20.640 -12.315 -2.097 17 HE1 MET 3 1HE MET 3 -24.508 -13.497 -4.324 18 HE2 MET 3 2HE MET 3 -23.557 -12.061 -4.701 19 HE3 MET 3 3HE MET 3 -24.433 -12.162 -3.172 20 H GLY 4 H GLY 4 -20.507 -7.725 -0.691 21 HA2 GLY 4 1HA GLY 4 -20.450 -7.145 -3.578 22 HA3 GLY 4 2HA GLY 4 -21.135 -5.969 -2.465 23 H THR 5 H THR 5 -18.392 -7.956 -1.644 24 HA THR 5 HA THR 5 -16.825 -5.543 -1.272 25 HB THR 5 HB THR 5 -15.154 -7.238 -0.287 26 HG1 THR 5 1HG THR 5 -15.784 -9.267 -0.136 27 HG21 THR 5 1HG2 THR 5 -16.383 -7.303 1.843 28 HG22 THR 5 2HG2 THR 5 -17.851 -6.811 0.998 29 HG23 THR 5 3HG2 THR 5 -16.471 -5.714 1.079 30 H LYS 6 H LYS 6 -16.371 -4.995 -3.414 31 HA LYS 6 HA LYS 6 -14.833 -6.812 -5.066 32 HB2 LYS 6 1HB LYS 6 -15.377 -3.859 -5.465 33 HB3 LYS 6 2HB LYS 6 -14.799 -4.997 -6.677 34 HG2 LYS 6 1HG LYS 6 -16.918 -6.213 -6.545 35 HG3 LYS 6 2HG LYS 6 -17.498 -5.065 -5.338 36 HD2 LYS 6 1HD LYS 6 -18.409 -4.429 -7.452 37 HD3 LYS 6 2HD LYS 6 -17.167 -3.251 -7.028 38 HE2 LYS 6 1HE LYS 6 -15.584 -4.355 -8.501 39 HE3 LYS 6 2HE LYS 6 -16.776 -5.600 -8.879 40 HZ1 LYS 6 1HZ LYS 6 -18.201 -3.854 -9.818 41 HZ2 LYS 6 2HZ LYS 6 -16.716 -3.970 -10.625 42 HZ3 LYS 6 3HZ LYS 6 -16.982 -2.707 -9.529 43 H TYR 7 H TYR 7 -14.392 -3.979 -3.074 44 HA TYR 7 HA TYR 7 -11.543 -4.635 -2.844 45 HB2 TYR 7 2HB TYR 7 -12.720 -1.881 -3.293 46 HB3 TYR 7 1HB TYR 7 -11.088 -2.147 -2.690 47 HD1 TYR 7 1HD TYR 7 -9.359 -3.078 -4.146 48 HD2 TYR 7 2HD TYR 7 -13.274 -2.288 -5.611 49 HE1 TYR 7 1HE TYR 7 -8.525 -3.258 -6.451 50 HE2 TYR 7 2HE TYR 7 -12.451 -2.468 -7.921 51 HH TYR 7 HH TYR 7 -10.356 -2.258 -9.153 52 H ALA 8 H ALA 8 -11.605 -5.457 -0.839 53 HA ALA 8 HA ALA 8 -13.005 -3.934 1.254 54 HB1 ALA 8 1HB ALA 8 -12.967 -5.970 2.581 55 HB2 ALA 8 2HB ALA 8 -12.041 -6.794 1.325 56 HB3 ALA 8 3HB ALA 8 -13.697 -6.280 1.005 57 H VAL 9 H VAL 9 -11.732 -4.662 3.507 58 HA VAL 9 HA VAL 9 -9.462 -3.012 3.494 59 HB VAL 9 HB VAL 9 -9.035 -3.811 5.791 60 HG11 VAL 9 1HG1 VAL 9 -11.927 -3.214 5.183 61 HG12 VAL 9 2HG1 VAL 9 -10.644 -2.031 5.438 62 HG13 VAL 9 3HG1 VAL 9 -11.167 -3.068 6.768 63 HG21 VAL 9 1HG2 VAL 9 -10.553 -5.421 6.829 64 HG22 VAL 9 2HG2 VAL 9 -9.632 -6.155 5.517 65 HG23 VAL 9 3HG2 VAL 9 -11.317 -5.707 5.267 66 HA PRO 10 HA PRO 10 -6.460 -5.968 2.142 67 HB2 PRO 10 2HB PRO 10 -4.407 -4.257 1.923 68 HB3 PRO 10 1HB PRO 10 -5.783 -4.218 0.816 69 HG2 PRO 10 2HG PRO 10 -5.083 -2.381 3.024 70 HG3 PRO 10 1HG PRO 10 -5.996 -2.062 1.543 71 HD2 PRO 10 2HD PRO 10 -7.031 -2.552 4.143 72 HD3 PRO 10 1HD PRO 10 -7.946 -2.375 2.634 73 H ASP 11 H ASP 11 -5.281 -7.380 3.211 74 HA ASP 11 HA ASP 11 -4.174 -6.710 5.823 75 HB2 ASP 11 1HB ASP 11 -4.395 -9.329 4.325 76 HB3 ASP 11 2HB ASP 11 -3.584 -9.164 5.878 77 H THR 12 H THR 12 -2.084 -6.278 6.135 78 HA THR 12 HA THR 12 -0.375 -6.177 3.814 79 HB THR 12 HB THR 12 1.238 -5.077 5.371 80 HG1 THR 12 1HG THR 12 0.875 -5.522 7.417 81 HG21 THR 12 1HG2 THR 12 -0.161 -3.048 5.698 82 HG22 THR 12 2HG2 THR 12 -1.581 -4.000 5.258 83 HG23 THR 12 3HG2 THR 12 -0.295 -3.733 4.079 84 H SER 13 H SER 13 -1.011 -8.406 6.240 85 HA SER 13 HA SER 13 1.584 -9.536 6.532 86 HB2 SER 13 1HB SER 13 -1.093 -10.850 7.032 87 HB3 SER 13 2HB SER 13 0.464 -11.321 7.714 88 HG SER 13 HG SER 13 -0.771 -10.064 9.191 89 H THR 14 H THR 14 -0.710 -9.619 4.036 90 HA THR 14 HA THR 14 0.339 -12.145 2.976 91 HB THR 14 HB THR 14 -1.549 -11.829 1.273 92 HG1 THR 14 1HG THR 14 -2.432 -9.900 1.461 93 HG21 THR 14 1HG2 THR 14 -2.265 -12.192 4.185 94 HG22 THR 14 2HG2 THR 14 -1.658 -13.449 3.108 95 HG23 THR 14 3HG2 THR 14 -3.236 -12.719 2.810 96 H TYR 15 H TYR 15 1.549 -9.319 2.970 97 HA TYR 15 HA TYR 15 1.872 -8.970 0.079 98 HB2 TYR 15 2HB TYR 15 2.655 -7.212 2.410 99 HB3 TYR 15 1HB TYR 15 3.111 -6.876 0.742 100 HD1 TYR 15 1HD TYR 15 0.339 -7.997 -0.307 101 HD2 TYR 15 2HD TYR 15 1.479 -5.089 2.578 102 HE1 TYR 15 1HE TYR 15 -1.789 -6.823 -0.663 103 HE2 TYR 15 2HE TYR 15 -0.651 -3.913 2.238 104 HH TYR 15 HH TYR 15 -2.344 -3.785 0.145 105 H GLN 16 H GLN 16 4.191 -8.278 -0.542 106 HA GLN 16 HA GLN 16 6.010 -10.306 0.587 107 HB2 GLN 16 1HB GLN 16 6.178 -8.999 -2.136 108 HB3 GLN 16 2HB GLN 16 7.122 -10.363 -1.557 109 HG2 GLN 16 1HG GLN 16 5.076 -11.712 -1.449 110 HG3 GLN 16 2HG GLN 16 4.163 -10.348 -2.094 111 HE21 GLN 16 1HE2 GLN 16 5.231 -10.772 -5.401 112 HE22 GLN 16 2HE2 GLN 16 4.497 -9.718 -4.243 113 H TYR 17 H TYR 17 7.216 -9.248 2.104 114 HA TYR 17 HA TYR 17 7.936 -6.545 1.983 115 HB2 TYR 17 2HB TYR 17 8.053 -7.853 4.064 116 HB3 TYR 17 1HB TYR 17 9.398 -8.783 3.407 117 HD1 TYR 17 1HD TYR 17 11.572 -8.089 3.880 118 HD2 TYR 17 2HD TYR 17 8.412 -5.254 4.118 119 HE1 TYR 17 1HE TYR 17 13.152 -6.408 4.737 120 HE2 TYR 17 2HE TYR 17 9.981 -3.565 4.976 121 HH TYR 17 HH TYR 17 13.399 -4.035 4.942 122 H ASP 18 H ASP 18 9.194 -5.536 0.640 123 HA ASP 18 HA ASP 18 11.244 -6.979 -0.857 124 HB2 ASP 18 1HB ASP 18 9.569 -5.431 -1.984 125 HB3 ASP 18 2HB ASP 18 10.382 -4.098 -1.181 126 H GLU 19 H GLU 19 13.175 -7.059 0.079 127 HA GLU 19 HA GLU 19 13.833 -5.376 2.285 128 HB2 GLU 19 1HB GLU 19 15.896 -6.657 2.375 129 HB3 GLU 19 2HB GLU 19 14.504 -7.701 2.158 130 HG2 GLU 19 1HG GLU 19 14.998 -7.899 -0.216 131 HG3 GLU 19 2HG GLU 19 16.401 -6.854 -0.002 132 H SER 20 H SER 20 14.430 -5.300 -1.087 133 HA SER 20 HA SER 20 16.739 -3.611 -0.971 134 HB2 SER 20 1HB SER 20 16.350 -5.133 -2.844 135 HB3 SER 20 2HB SER 20 14.853 -4.291 -3.236 136 HG SER 20 HG SER 20 15.991 -2.949 -4.353 137 H SER 21 H SER 21 13.295 -3.190 -1.037 138 HA SER 21 HA SER 21 13.584 -0.318 -1.539 139 HB2 SER 21 1HB SER 21 11.035 -1.928 -1.376 140 HB3 SER 21 2HB SER 21 11.253 -0.324 -2.060 141 HG SER 21 HG SER 21 12.341 -2.759 -3.051 142 H GLY 22 H GLY 22 12.598 -2.649 0.883 143 HA2 GLY 22 1HA GLY 22 12.538 -2.266 3.202 144 HA3 GLY 22 2HA GLY 22 12.584 -0.533 2.898 145 H TYR 23 H TYR 23 10.381 -1.985 0.895 146 HA TYR 23 HA TYR 23 8.136 -1.187 2.628 147 HB2 TYR 23 2HB TYR 23 8.566 -0.952 -0.342 148 HB3 TYR 23 1HB TYR 23 6.947 -0.927 0.344 149 HD1 TYR 23 1HD TYR 23 10.240 0.711 1.066 150 HD2 TYR 23 2HD TYR 23 6.040 1.151 0.583 151 HE1 TYR 23 1HE TYR 23 10.453 3.123 1.463 152 HE2 TYR 23 2HE TYR 23 6.240 3.564 0.983 153 HH TYR 23 HH TYR 23 7.615 5.230 1.652 154 H TYR 24 H TYR 24 6.137 -2.389 2.300 155 HA TYR 24 HA TYR 24 6.573 -5.182 1.575 156 HB2 TYR 24 2HB TYR 24 4.265 -3.688 2.822 157 HB3 TYR 24 1HB TYR 24 4.102 -5.348 2.260 158 HD1 TYR 24 1HD TYR 24 5.854 -3.166 4.678 159 HD2 TYR 24 2HD TYR 24 4.954 -7.155 3.509 160 HE1 TYR 24 1HE TYR 24 6.736 -3.986 6.820 161 HE2 TYR 24 2HE TYR 24 5.832 -7.990 5.642 162 HH TYR 24 HH TYR 24 7.278 -7.353 7.423 163 H TYR 25 H TYR 25 6.308 -5.778 -0.500 164 HA TYR 25 HA TYR 25 5.085 -3.972 -2.352 165 HB2 TYR 25 2HB TYR 25 6.978 -5.270 -3.108 166 HB3 TYR 25 1HB TYR 25 6.152 -6.778 -2.721 167 HD1 TYR 25 1HD TYR 25 5.838 -3.751 -4.878 168 HD2 TYR 25 2HD TYR 25 4.903 -7.870 -4.363 169 HE1 TYR 25 1HE TYR 25 4.863 -3.807 -7.135 170 HE2 TYR 25 2HE TYR 25 3.928 -7.940 -6.621 171 HH TYR 25 HH TYR 25 4.370 -5.429 -8.882 172 H ASP 26 H ASP 26 3.048 -3.800 -2.752 173 HA ASP 26 HA ASP 26 1.080 -5.779 -2.024 174 HB2 ASP 26 1HB ASP 26 0.989 -3.119 -3.438 175 HB3 ASP 26 2HB ASP 26 -0.416 -4.164 -3.388 176 HA PRO 27 HA PRO 27 1.646 -7.560 -6.175 177 HB2 PRO 27 2HB PRO 27 0.581 -10.027 -5.192 178 HB3 PRO 27 1HB PRO 27 2.255 -9.660 -5.591 179 HG2 PRO 27 2HG PRO 27 1.308 -10.172 -3.041 180 HG3 PRO 27 1HG PRO 27 2.817 -9.320 -3.415 181 HD2 PRO 27 2HD PRO 27 0.154 -8.211 -2.635 182 HD3 PRO 27 1HD PRO 27 1.782 -7.644 -2.206 183 H THR 28 H THR 28 -1.021 -7.392 -4.014 184 HA THR 28 HA THR 28 -3.016 -8.224 -5.922 185 HB THR 28 HB THR 28 -3.551 -6.811 -3.315 186 HG1 THR 28 1HG THR 28 -3.201 -8.714 -2.230 187 HG21 THR 28 1HG2 THR 28 -5.460 -7.314 -4.766 188 HG22 THR 28 2HG2 THR 28 -5.515 -8.284 -3.293 189 HG23 THR 28 3HG2 THR 28 -4.984 -9.011 -4.809 190 H THR 29 H THR 29 -1.589 -5.266 -4.720 191 HA THR 29 HA THR 29 -3.652 -3.686 -6.087 192 HB THR 29 HB THR 29 -1.784 -2.345 -4.216 193 HG1 THR 29 1HG THR 29 -2.414 -3.427 -2.479 194 HG21 THR 29 1HG2 THR 29 -4.787 -2.283 -4.582 195 HG22 THR 29 2HG2 THR 29 -3.637 -1.153 -5.303 196 HG23 THR 29 3HG2 THR 29 -3.847 -1.198 -3.553 197 H GLY 30 H GLY 30 -0.335 -4.524 -6.199 198 HA2 GLY 30 1HA GLY 30 1.314 -3.929 -7.703 199 HA3 GLY 30 2HA GLY 30 0.146 -2.880 -8.500 200 H LEU 31 H LEU 31 0.972 -2.758 -5.105 201 HA LEU 31 HA LEU 31 2.094 -0.057 -5.516 202 HB2 LEU 31 1HB LEU 31 0.149 -0.928 -3.371 203 HB3 LEU 31 2HB LEU 31 0.922 0.642 -3.443 204 HG LEU 31 HG LEU 31 -1.114 -0.472 -5.381 205 HD11 LEU 31 1HD1 LEU 31 -2.014 0.311 -3.249 206 HD12 LEU 31 2HD1 LEU 31 -2.498 1.360 -4.580 207 HD13 LEU 31 3HD1 LEU 31 -1.214 1.866 -3.480 208 HD21 LEU 31 1HD2 LEU 31 0.523 0.833 -6.613 209 HD22 LEU 31 2HD2 LEU 31 0.367 2.156 -5.458 210 HD23 LEU 31 3HD2 LEU 31 -0.996 1.721 -6.491 211 H TYR 32 H TYR 32 2.959 0.676 -3.190 212 HA TYR 32 HA TYR 32 4.290 -1.603 -1.890 213 HB2 TYR 32 2HB TYR 32 5.377 1.134 -2.543 214 HB3 TYR 32 1HB TYR 32 6.069 0.162 -1.257 215 HD1 TYR 32 1HD TYR 32 5.946 0.766 -4.793 216 HD2 TYR 32 2HD TYR 32 7.088 -2.067 -1.836 217 HE1 TYR 32 1HE TYR 32 7.419 -0.332 -6.425 218 HE2 TYR 32 2HE TYR 32 8.561 -3.179 -3.458 219 HH TYR 32 HH TYR 32 9.334 -1.753 -6.502 220 H TYR 33 H TYR 33 3.683 -1.816 0.169 221 HA TYR 33 HA TYR 33 2.369 0.387 1.538 222 HB2 TYR 33 2HB TYR 33 1.285 -1.745 1.740 223 HB3 TYR 33 1HB TYR 33 2.780 -2.529 2.235 224 HD1 TYR 33 1HD TYR 33 3.485 -2.513 4.510 225 HD2 TYR 33 2HD TYR 33 0.116 -0.209 3.304 226 HE1 TYR 33 1HE TYR 33 2.894 -2.159 6.868 227 HE2 TYR 33 2HE TYR 33 -0.486 0.151 5.662 228 HH TYR 33 HH TYR 33 -0.124 -0.997 7.837 229 H ASP 34 H ASP 34 3.494 1.756 2.768 230 HA ASP 34 HA ASP 34 6.176 1.089 3.648 231 HB2 ASP 34 1HB ASP 34 5.606 3.416 2.925 232 HB3 ASP 34 2HB ASP 34 4.521 3.541 4.302 233 HA PRO 35 HA PRO 35 4.527 -0.641 7.432 234 HB2 PRO 35 2HB PRO 35 6.987 -1.163 8.537 235 HB3 PRO 35 1HB PRO 35 6.154 -2.245 7.413 236 HG2 PRO 35 2HG PRO 35 8.382 -0.329 6.915 237 HG3 PRO 35 1HG PRO 35 8.078 -1.914 6.188 238 HD2 PRO 35 2HD PRO 35 7.560 0.444 4.926 239 HD3 PRO 35 1HD PRO 35 6.667 -1.053 4.602 240 H ASN 36 H ASN 36 6.629 2.062 7.018 241 HA ASN 36 HA ASN 36 6.737 2.663 9.857 242 HB2 ASN 36 1HB ASN 36 8.629 3.075 8.160 243 HB3 ASN 36 2HB ASN 36 7.693 4.475 7.646 244 HD21 ASN 36 1HD2 ASN 36 8.769 4.588 11.569 245 HD22 ASN 36 2HD2 ASN 36 7.941 3.220 10.909 246 H SER 37 H SER 37 5.491 4.297 6.927 247 HA SER 37 HA SER 37 3.965 6.118 8.598 248 HB2 SER 37 1HB SER 37 3.329 7.163 6.429 249 HB3 SER 37 2HB SER 37 5.071 7.049 6.647 250 HG SER 37 HG SER 37 5.180 5.474 5.161 251 H GLN 38 H GLN 38 3.490 3.194 6.907 252 HA GLN 38 HA GLN 38 1.754 1.807 6.605 253 HB2 GLN 38 1HB GLN 38 0.322 3.659 8.506 254 HB3 GLN 38 2HB GLN 38 -0.331 2.130 7.927 255 HG2 GLN 38 1HG GLN 38 1.700 1.012 8.873 256 HG3 GLN 38 2HG GLN 38 2.115 2.553 9.619 257 HE21 GLN 38 1HE2 GLN 38 -1.471 1.155 10.936 258 HE22 GLN 38 2HE2 GLN 38 -1.175 1.441 9.250 259 H TYR 39 H TYR 39 2.195 4.265 4.980 260 HA TYR 39 HA TYR 39 -0.463 4.510 3.757 261 HB2 TYR 39 2HB TYR 39 2.062 6.130 3.389 262 HB3 TYR 39 1HB TYR 39 0.638 6.323 2.381 263 HD1 TYR 39 1HD TYR 39 2.244 7.334 5.383 264 HD2 TYR 39 2HD TYR 39 -1.575 6.860 3.583 265 HE1 TYR 39 1HE TYR 39 1.280 8.874 7.034 266 HE2 TYR 39 2HE TYR 39 -2.552 8.396 5.226 267 HH TYR 39 HH TYR 39 -2.160 9.370 7.318 268 H TYR 40 H TYR 40 -0.569 4.351 1.403 269 HA TYR 40 HA TYR 40 1.157 2.186 0.454 270 HB2 TYR 40 2HB TYR 40 -1.556 3.167 -0.408 271 HB3 TYR 40 1HB TYR 40 -0.609 2.065 -1.403 272 HD1 TYR 40 1HD TYR 40 -0.086 -0.196 -0.593 273 HD2 TYR 40 2HD TYR 40 -2.661 2.400 1.581 274 HE1 TYR 40 1HE TYR 40 -0.906 -2.110 0.705 275 HE2 TYR 40 2HE TYR 40 -3.492 0.487 2.891 276 HH TYR 40 HH TYR 40 -2.011 -2.677 2.638 277 H TYR 41 H TYR 41 2.351 2.321 -1.357 278 HA TYR 41 HA TYR 41 2.731 5.025 -2.422 279 HB2 TYR 41 2HB TYR 41 4.650 4.188 -1.181 280 HB3 TYR 41 1HB TYR 41 4.657 2.710 -2.132 281 HD1 TYR 41 1HD TYR 41 6.198 2.551 -3.825 282 HD2 TYR 41 2HD TYR 41 4.825 6.404 -2.661 283 HE1 TYR 41 1HE TYR 41 7.783 3.579 -5.394 284 HE2 TYR 41 2HE TYR 41 6.397 7.449 -4.233 285 HH TYR 41 HH TYR 41 8.154 5.606 -6.575 286 H ASN 42 H ASN 42 1.964 5.276 -4.370 287 HA ASN 42 HA ASN 42 1.370 3.077 -6.114 288 HB2 ASN 42 1HB ASN 42 0.063 5.236 -6.010 289 HB3 ASN 42 2HB ASN 42 1.428 6.031 -6.782 290 HD21 ASN 42 1HD2 ASN 42 -1.250 4.846 -9.198 291 HD22 ASN 42 2HD2 ASN 42 -1.355 5.624 -7.653 292 H SER 43 H SER 43 2.981 2.017 -7.085 293 HA SER 43 HA SER 43 5.613 2.981 -7.248 294 HB2 SER 43 1HB SER 43 4.587 0.747 -8.972 295 HB3 SER 43 2HB SER 43 6.134 0.889 -8.127 296 HG SER 43 HG SER 43 4.149 -0.453 -7.275 297 H LEU 44 H LEU 44 2.934 3.174 -9.440 298 HA LEU 44 HA LEU 44 4.498 3.703 -11.790 299 HB2 LEU 44 1HB LEU 44 2.288 2.663 -11.909 300 HB3 LEU 44 2HB LEU 44 1.561 4.099 -11.216 301 HG LEU 44 HG LEU 44 2.325 5.380 -13.226 302 HD11 LEU 44 1HD1 LEU 44 3.005 2.632 -14.256 303 HD12 LEU 44 2HD1 LEU 44 4.138 3.949 -13.945 304 HD13 LEU 44 3HD1 LEU 44 2.939 4.102 -15.228 305 HD21 LEU 44 1HD2 LEU 44 0.035 4.559 -13.018 306 HD22 LEU 44 2HD2 LEU 44 0.513 3.028 -13.753 307 HD23 LEU 44 3HD2 LEU 44 0.579 4.518 -14.695 308 H THR 45 H THR 45 2.493 5.687 -9.617 309 HA THR 45 HA THR 45 3.249 8.075 -11.119 310 HB THR 45 HB THR 45 1.255 7.944 -8.849 311 HG1 THR 45 1HG THR 45 0.913 7.381 -11.633 312 HG21 THR 45 1HG2 THR 45 0.258 9.864 -10.031 313 HG22 THR 45 2HG2 THR 45 1.561 9.798 -11.220 314 HG23 THR 45 3HG2 THR 45 1.919 10.187 -9.536 315 H GLN 46 H GLN 46 4.251 6.381 -8.443 316 HA GLN 46 HA GLN 46 5.631 6.780 -6.697 317 HB2 GLN 46 1HB GLN 46 6.265 9.366 -8.145 318 HB3 GLN 46 2HB GLN 46 7.250 8.596 -6.903 319 HG2 GLN 46 1HG GLN 46 7.716 6.735 -8.321 320 HG3 GLN 46 2HG GLN 46 6.556 7.295 -9.524 321 HE21 GLN 46 1HE2 GLN 46 9.771 9.774 -9.196 322 HE22 GLN 46 2HE2 GLN 46 8.803 9.382 -7.817 323 H GLN 47 H GLN 47 3.026 7.284 -6.352 324 HA GLN 47 HA GLN 47 2.747 9.831 -4.942 325 HB2 GLN 47 1HB GLN 47 1.304 9.697 -6.829 326 HB3 GLN 47 2HB GLN 47 0.868 8.040 -6.463 327 HG2 GLN 47 1HG GLN 47 -0.300 8.824 -4.471 328 HG3 GLN 47 2HG GLN 47 0.047 10.481 -4.952 329 HE21 GLN 47 1HE2 GLN 47 -2.379 10.619 -7.461 330 HE22 GLN 47 2HE2 GLN 47 -0.941 11.328 -6.796 331 H TYR 48 H TYR 48 1.132 9.689 -3.081 332 HA TYR 48 HA TYR 48 1.404 7.110 -1.702 333 HB2 TYR 48 2HB TYR 48 1.778 9.883 -0.646 334 HB3 TYR 48 1HB TYR 48 1.226 8.604 0.432 335 HD1 TYR 48 1HD TYR 48 3.984 9.519 -1.901 336 HD2 TYR 48 2HD TYR 48 2.716 7.088 1.351 337 HE1 TYR 48 1HE TYR 48 6.299 8.735 -1.584 338 HE2 TYR 48 2HE TYR 48 5.013 6.299 1.674 339 HH TYR 48 HH TYR 48 7.709 7.706 -0.057 340 H LEU 49 H LEU 49 -0.287 6.300 -0.641 341 HA LEU 49 HA LEU 49 -2.846 7.740 -0.754 342 HB2 LEU 49 1HB LEU 49 -2.401 4.893 -1.675 343 HB3 LEU 49 2HB LEU 49 -3.950 5.704 -1.577 344 HG LEU 49 HG LEU 49 -1.772 6.786 -3.333 345 HD11 LEU 49 1HD1 LEU 49 -3.802 4.690 -4.068 346 HD12 LEU 49 2HD1 LEU 49 -2.054 4.457 -3.965 347 HD13 LEU 49 3HD1 LEU 49 -2.733 5.533 -5.187 348 HD21 LEU 49 1HD2 LEU 49 -4.781 6.940 -3.388 349 HD22 LEU 49 2HD2 LEU 49 -3.692 7.695 -4.553 350 HD23 LEU 49 3HD2 LEU 49 -3.681 8.222 -2.869 351 H TYR 50 H TYR 50 -4.537 6.398 0.482 352 HA TYR 50 HA TYR 50 -3.421 4.538 2.403 353 HB2 TYR 50 2HB TYR 50 -4.327 5.658 4.365 354 HB3 TYR 50 1HB TYR 50 -3.179 6.711 3.555 355 HD1 TYR 50 1HD TYR 50 -6.611 6.274 4.628 356 HD2 TYR 50 2HD TYR 50 -4.012 8.685 2.281 357 HE1 TYR 50 1HE TYR 50 -8.285 8.072 4.634 358 HE2 TYR 50 2HE TYR 50 -5.676 10.493 2.282 359 HH TYR 50 HH TYR 50 -8.489 10.390 4.325 360 H TRP 51 H TRP 51 -4.959 3.121 3.242 361 HA TRP 51 HA TRP 51 -7.340 2.927 1.633 362 HB2 TRP 51 2HB TRP 51 -6.208 0.862 2.162 363 HB3 TRP 51 1HB TRP 51 -6.299 1.201 3.890 364 HD1 TRP 51 1HD TRP 51 -8.455 0.461 5.143 365 HE1 TRP 51 1HE TRP 51 -10.643 -0.683 4.450 366 HE3 TRP 51 3HE TRP 51 -7.897 0.660 0.068 367 HZ2 TRP 51 2HZ TRP 51 -11.958 -1.427 2.066 368 HZ3 TRP 51 3HZ TRP 51 -9.663 -0.301 -1.347 369 HH2 TRP 51 2HH TRP 51 -11.650 -1.320 -0.367 370 H ASP 52 H ASP 52 -9.024 4.141 2.075 371 HA ASP 52 HA ASP 52 -9.670 4.794 4.838 372 HB2 ASP 52 1HB ASP 52 -9.832 6.580 3.131 373 HB3 ASP 52 2HB ASP 52 -11.047 5.646 2.265 374 H GLY 53 H GLY 53 -10.885 3.453 5.983 375 HA2 GLY 53 1HA GLY 53 -12.111 1.185 4.703 376 HA3 GLY 53 2HA GLY 53 -12.074 1.519 6.428 377 H GLU 54 H GLU 54 -13.197 4.281 5.516 378 HA GLU 54 HA GLU 54 -15.960 3.592 5.962 379 HB2 GLU 54 1HB GLU 54 -15.139 5.580 7.017 380 HB3 GLU 54 2HB GLU 54 -14.490 6.194 5.503 381 HG2 GLU 54 1HG GLU 54 -16.869 6.311 4.677 382 HG3 GLU 54 2HG GLU 54 -17.364 5.989 6.341 383 H LYS 55 H LYS 55 -14.031 5.051 3.382 384 HA LYS 55 HA LYS 55 -16.287 5.065 1.546 385 HB2 LYS 55 1HB LYS 55 -13.403 5.789 1.013 386 HB3 LYS 55 2HB LYS 55 -14.809 6.251 0.061 387 HG2 LYS 55 1HG LYS 55 -15.553 7.757 1.686 388 HG3 LYS 55 2HG LYS 55 -14.508 7.076 2.927 389 HD2 LYS 55 1HD LYS 55 -12.547 7.857 1.636 390 HD3 LYS 55 2HD LYS 55 -13.652 8.636 0.500 391 HE2 LYS 55 1HE LYS 55 -12.740 10.186 2.195 392 HE3 LYS 55 2HE LYS 55 -14.499 10.070 2.233 393 HZ1 LYS 55 1HZ LYS 55 -12.696 8.552 4.052 394 HZ2 LYS 55 2HZ LYS 55 -14.389 8.683 4.154 395 HZ3 LYS 55 3HZ LYS 55 -13.416 10.034 4.451 396 H GLU 56 H GLU 56 -13.681 3.056 2.394 397 HA GLU 56 HA GLU 56 -12.800 1.139 1.610 398 HB2 GLU 56 1HB GLU 56 -15.437 0.994 0.135 399 HB3 GLU 56 2HB GLU 56 -14.289 -0.334 0.247 400 HG2 GLU 56 1HG GLU 56 -14.554 -0.443 2.628 401 HG3 GLU 56 2HG GLU 56 -15.556 1.005 2.627 402 H THR 57 H THR 57 -11.432 2.924 0.571 403 HA THR 57 HA THR 57 -10.785 2.110 -2.091 404 HB THR 57 HB THR 57 -12.664 3.659 -2.567 405 HG1 THR 57 1HG THR 57 -11.572 4.234 -4.287 406 HG21 THR 57 1HG2 THR 57 -12.428 5.142 -0.630 407 HG22 THR 57 2HG2 THR 57 -12.418 6.057 -2.139 408 HG23 THR 57 3HG2 THR 57 -10.907 5.754 -1.283 409 H TYR 58 H TYR 58 -8.846 3.331 -2.902 410 HA TYR 58 HA TYR 58 -7.165 4.161 -0.652 411 HB2 TYR 58 2HB TYR 58 -6.327 3.593 -3.504 412 HB3 TYR 58 1HB TYR 58 -5.263 3.894 -2.146 413 HD1 TYR 58 1HD TYR 58 -7.504 1.437 -3.704 414 HD2 TYR 58 2HD TYR 58 -4.805 2.193 -0.505 415 HE1 TYR 58 1HE TYR 58 -7.413 -0.972 -3.217 416 HE2 TYR 58 2HE TYR 58 -4.706 -0.213 -0.010 417 HH TYR 58 HH TYR 58 -5.960 -2.218 -0.358 418 H VAL 59 H VAL 59 -7.249 6.217 -0.234 419 HA VAL 59 HA VAL 59 -7.645 8.125 -2.432 420 HB VAL 59 HB VAL 59 -8.216 9.671 -0.370 421 HG11 VAL 59 1HG1 VAL 59 -10.073 7.530 -1.407 422 HG12 VAL 59 2HG1 VAL 59 -9.777 9.100 -2.153 423 HG13 VAL 59 3HG1 VAL 59 -10.580 9.005 -0.586 424 HG21 VAL 59 1HG2 VAL 59 -8.843 6.928 0.707 425 HG22 VAL 59 2HG2 VAL 59 -9.291 8.464 1.448 426 HG23 VAL 59 3HG2 VAL 59 -7.592 8.007 1.321 427 HA PRO 60 HA PRO 60 -3.565 9.620 -1.967 428 HB2 PRO 60 2HB PRO 60 -3.885 12.243 -2.632 429 HB3 PRO 60 1HB PRO 60 -3.928 10.930 -3.816 430 HG2 PRO 60 2HG PRO 60 -6.203 12.359 -2.485 431 HG3 PRO 60 1HG PRO 60 -6.010 11.913 -4.192 432 HD2 PRO 60 2HD PRO 60 -7.534 10.462 -2.523 433 HD3 PRO 60 1HD PRO 60 -6.578 9.695 -3.809 434 H ALA 61 H ALA 61 -2.419 10.080 -0.225 435 HA ALA 61 HA ALA 61 -3.676 11.503 1.987 436 HB1 ALA 61 1HB ALA 61 -1.047 10.027 1.855 437 HB2 ALA 61 2HB ALA 61 -2.577 9.368 2.434 438 HB3 ALA 61 3HB ALA 61 -1.798 10.683 3.311 439 H ALA 62 H ALA 62 -3.035 13.097 -0.228 440 HA ALA 62 HA ALA 62 -2.064 15.050 -0.830 441 HB1 ALA 62 1HB ALA 62 -0.993 16.453 0.833 442 HB2 ALA 62 2HB ALA 62 -0.893 15.093 1.951 443 HB3 ALA 62 3HB ALA 62 -2.467 15.744 1.495 444 H GLU 63 H GLU 63 -0.609 14.880 -2.347 445 HA GLU 63 HA GLU 63 1.547 13.010 -2.161 446 HB2 GLU 63 1HB GLU 63 0.942 15.046 -4.311 447 HB3 GLU 63 2HB GLU 63 2.020 13.663 -4.462 448 HG2 GLU 63 1HG GLU 63 0.192 12.134 -4.231 449 HG3 GLU 63 2HG GLU 63 -0.924 13.455 -3.888 450 H SER 64 H SER 64 1.216 16.480 -1.965 451 HA SER 64 HA SER 64 4.090 16.664 -1.349 452 HB2 SER 64 1HB SER 64 2.208 18.860 -2.257 453 HB3 SER 64 2HB SER 64 3.925 19.057 -1.905 454 HG SER 64 HG SER 64 4.226 17.368 -3.579 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -19.761 -12.283 -6.124 2 H2 GLY 1 2H GLY 1 -21.332 -12.517 -5.529 3 H3 GLY 1 3H GLY 1 -20.270 -13.834 -5.663 4 HA2 GLY 1 1HA GLY 1 -20.476 -13.108 -3.365 5 HA3 GLY 1 2HA GLY 1 -18.837 -12.932 -3.976 6 H ALA 2 H ALA 2 -21.843 -11.205 -3.362 7 HA ALA 2 HA ALA 2 -22.266 -9.150 -2.525 8 HB1 ALA 2 1HB ALA 2 -20.365 -9.497 -1.028 9 HB2 ALA 2 2HB ALA 2 -20.530 -7.808 -1.507 10 HB3 ALA 2 3HB ALA 2 -19.288 -8.817 -2.247 11 H MET 3 H MET 3 -19.727 -9.302 -4.955 12 HA MET 3 HA MET 3 -19.534 -8.301 -6.978 13 HB2 MET 3 1HB MET 3 -22.185 -7.074 -6.252 14 HB3 MET 3 2HB MET 3 -21.340 -6.683 -7.742 15 HG2 MET 3 1HG MET 3 -22.264 -9.423 -6.908 16 HG3 MET 3 2HG MET 3 -23.042 -8.383 -8.098 17 HE1 MET 3 1HE MET 3 -20.230 -8.190 -10.866 18 HE2 MET 3 2HE MET 3 -20.420 -7.115 -9.481 19 HE3 MET 3 3HE MET 3 -21.837 -7.635 -10.393 20 H GLY 4 H GLY 4 -20.229 -6.260 -4.214 21 HA2 GLY 4 1HA GLY 4 -18.824 -3.998 -5.359 22 HA3 GLY 4 2HA GLY 4 -19.497 -4.101 -3.738 23 H THR 5 H THR 5 -18.020 -6.789 -3.547 24 HA THR 5 HA THR 5 -15.642 -5.629 -2.371 25 HB THR 5 HB THR 5 -16.378 -8.524 -2.461 26 HG1 THR 5 1HG THR 5 -17.116 -7.683 -0.141 27 HG21 THR 5 1HG2 THR 5 -15.123 -8.580 -0.316 28 HG22 THR 5 2HG2 THR 5 -14.706 -6.884 -0.564 29 HG23 THR 5 3HG2 THR 5 -14.132 -8.110 -1.695 30 H LYS 6 H LYS 6 -14.936 -5.056 -4.575 31 HA LYS 6 HA LYS 6 -13.488 -7.202 -5.934 32 HB2 LYS 6 1HB LYS 6 -13.733 -4.254 -6.593 33 HB3 LYS 6 2HB LYS 6 -12.874 -5.435 -7.570 34 HG2 LYS 6 1HG LYS 6 -15.829 -5.440 -6.990 35 HG3 LYS 6 2HG LYS 6 -15.064 -4.958 -8.506 36 HD2 LYS 6 1HD LYS 6 -14.137 -7.246 -8.713 37 HD3 LYS 6 2HD LYS 6 -15.010 -7.702 -7.248 38 HE2 LYS 6 1HE LYS 6 -17.129 -7.191 -8.339 39 HE3 LYS 6 2HE LYS 6 -16.270 -6.692 -9.797 40 HZ1 LYS 6 1HZ LYS 6 -15.331 -8.994 -9.864 41 HZ2 LYS 6 2HZ LYS 6 -17.001 -8.903 -10.137 42 HZ3 LYS 6 3HZ LYS 6 -16.416 -9.418 -8.631 43 H TYR 7 H TYR 7 -13.055 -4.263 -4.129 44 HA TYR 7 HA TYR 7 -10.367 -5.145 -3.374 45 HB2 TYR 7 2HB TYR 7 -11.257 -2.338 -4.093 46 HB3 TYR 7 1HB TYR 7 -9.761 -2.685 -3.226 47 HD1 TYR 7 1HD TYR 7 -7.891 -3.742 -4.351 48 HD2 TYR 7 2HD TYR 7 -11.489 -2.881 -6.450 49 HE1 TYR 7 1HE TYR 7 -6.732 -4.125 -6.488 50 HE2 TYR 7 2HE TYR 7 -10.341 -3.258 -8.593 51 HH TYR 7 HH TYR 7 -8.028 -3.222 -9.481 52 H ALA 8 H ALA 8 -10.695 -5.817 -1.359 53 HA ALA 8 HA ALA 8 -12.423 -4.226 0.403 54 HB1 ALA 8 1HB ALA 8 -12.992 -6.604 0.212 55 HB2 ALA 8 2HB ALA 8 -12.495 -6.184 1.851 56 HB3 ALA 8 3HB ALA 8 -11.379 -7.033 0.782 57 H VAL 9 H VAL 9 -11.531 -4.641 2.839 58 HA VAL 9 HA VAL 9 -9.363 -2.985 3.180 59 HB VAL 9 HB VAL 9 -9.170 -3.902 5.484 60 HG11 VAL 9 1HG1 VAL 9 -10.723 -2.120 5.003 61 HG12 VAL 9 2HG1 VAL 9 -11.432 -3.223 6.182 62 HG13 VAL 9 3HG1 VAL 9 -11.946 -3.284 4.495 63 HG21 VAL 9 1HG2 VAL 9 -11.312 -5.810 4.541 64 HG22 VAL 9 2HG2 VAL 9 -10.837 -5.567 6.221 65 HG23 VAL 9 3HG2 VAL 9 -9.683 -6.237 5.068 66 HA PRO 10 HA PRO 10 -5.990 -5.604 1.966 67 HB2 PRO 10 2HB PRO 10 -4.054 -3.760 2.204 68 HB3 PRO 10 1HB PRO 10 -5.230 -3.722 0.886 69 HG2 PRO 10 2HG PRO 10 -5.144 -2.110 3.398 70 HG3 PRO 10 1HG PRO 10 -5.585 -1.607 1.757 71 HD2 PRO 10 2HD PRO 10 -7.393 -2.210 3.742 72 HD3 PRO 10 1HD PRO 10 -7.745 -2.298 2.006 73 H ASP 11 H ASP 11 -4.909 -7.027 3.117 74 HA ASP 11 HA ASP 11 -4.126 -6.364 5.864 75 HB2 ASP 11 1HB ASP 11 -5.350 -8.524 5.363 76 HB3 ASP 11 2HB ASP 11 -3.929 -9.044 4.465 77 H THR 12 H THR 12 -2.055 -5.937 6.347 78 HA THR 12 HA THR 12 -0.182 -5.737 4.177 79 HB THR 12 HB THR 12 1.325 -4.817 5.981 80 HG1 THR 12 1HG THR 12 0.434 -4.507 8.020 81 HG21 THR 12 1HG2 THR 12 -1.423 -3.607 5.604 82 HG22 THR 12 2HG2 THR 12 0.003 -3.332 4.600 83 HG23 THR 12 3HG2 THR 12 -0.030 -2.745 6.264 84 H SER 13 H SER 13 -1.072 -8.179 6.259 85 HA SER 13 HA SER 13 1.524 -9.390 6.607 86 HB2 SER 13 1HB SER 13 -1.137 -10.767 6.954 87 HB3 SER 13 2HB SER 13 0.386 -11.095 7.784 88 HG SER 13 HG SER 13 -1.417 -8.949 8.134 89 H THR 14 H THR 14 -0.991 -9.431 4.231 90 HA THR 14 HA THR 14 -0.041 -11.879 2.991 91 HB THR 14 HB THR 14 -1.781 -11.268 1.220 92 HG1 THR 14 1HG THR 14 -1.957 -9.036 1.764 93 HG21 THR 14 1HG2 THR 14 -3.651 -11.995 2.611 94 HG22 THR 14 2HG2 THR 14 -2.721 -11.630 4.065 95 HG23 THR 14 3HG2 THR 14 -2.196 -12.919 2.981 96 H TYR 15 H TYR 15 1.352 -9.071 3.175 97 HA TYR 15 HA TYR 15 1.869 -8.608 0.340 98 HB2 TYR 15 2HB TYR 15 2.720 -7.124 2.830 99 HB3 TYR 15 1HB TYR 15 3.258 -6.695 1.213 100 HD1 TYR 15 1HD TYR 15 2.084 -4.592 2.603 101 HD2 TYR 15 2HD TYR 15 0.094 -7.755 0.571 102 HE1 TYR 15 1HE TYR 15 0.111 -3.157 2.311 103 HE2 TYR 15 2HE TYR 15 -1.885 -6.328 0.276 104 HH TYR 15 HH TYR 15 -2.899 -4.392 1.148 105 H GLN 16 H GLN 16 4.109 -8.340 -0.376 106 HA GLN 16 HA GLN 16 5.898 -10.302 0.905 107 HB2 GLN 16 1HB GLN 16 5.965 -9.216 -1.919 108 HB3 GLN 16 2HB GLN 16 7.018 -10.462 -1.270 109 HG2 GLN 16 1HG GLN 16 5.105 -11.945 -0.992 110 HG3 GLN 16 2HG GLN 16 4.038 -10.691 -1.621 111 HE21 GLN 16 1HE2 GLN 16 4.378 -12.285 -4.695 112 HE22 GLN 16 2HE2 GLN 16 3.361 -11.953 -3.335 113 H TYR 17 H TYR 17 7.414 -9.343 2.145 114 HA TYR 17 HA TYR 17 7.985 -6.563 1.934 115 HB2 TYR 17 2HB TYR 17 8.109 -7.764 4.088 116 HB3 TYR 17 1HB TYR 17 9.477 -8.696 3.485 117 HD1 TYR 17 1HD TYR 17 11.668 -7.859 3.680 118 HD2 TYR 17 2HD TYR 17 8.370 -5.240 4.280 119 HE1 TYR 17 1HE TYR 17 13.204 -6.114 4.479 120 HE2 TYR 17 2HE TYR 17 9.898 -3.490 5.080 121 HH TYR 17 HH TYR 17 13.254 -3.642 4.682 122 H ASP 18 H ASP 18 9.365 -5.569 0.649 123 HA ASP 18 HA ASP 18 11.458 -7.137 -0.679 124 HB2 ASP 18 1HB ASP 18 10.010 -5.796 -2.151 125 HB3 ASP 18 2HB ASP 18 10.481 -4.336 -1.283 126 H GLU 19 H GLU 19 13.540 -6.796 -0.306 127 HA GLU 19 HA GLU 19 14.198 -5.326 2.087 128 HB2 GLU 19 1HB GLU 19 16.381 -6.471 1.828 129 HB3 GLU 19 2HB GLU 19 14.997 -7.546 1.838 130 HG2 GLU 19 1HG GLU 19 15.091 -7.533 -0.670 131 HG3 GLU 19 2HG GLU 19 16.650 -6.722 -0.516 132 H SER 20 H SER 20 14.781 -5.052 -1.344 133 HA SER 20 HA SER 20 17.038 -3.305 -1.067 134 HB2 SER 20 1HB SER 20 16.699 -4.825 -3.013 135 HB3 SER 20 2HB SER 20 15.319 -3.843 -3.500 136 HG SER 20 HG SER 20 16.775 -2.744 -4.562 137 H SER 21 H SER 21 13.603 -3.001 -1.360 138 HA SER 21 HA SER 21 13.865 -0.083 -1.583 139 HB2 SER 21 1HB SER 21 11.526 -1.914 -2.130 140 HB3 SER 21 2HB SER 21 11.468 -0.160 -2.229 141 HG SER 21 HG SER 21 13.325 -0.437 -3.740 142 H GLY 22 H GLY 22 12.790 -2.654 0.481 143 HA2 GLY 22 1HA GLY 22 12.360 -2.568 2.748 144 HA3 GLY 22 2HA GLY 22 12.560 -0.824 2.686 145 H TYR 23 H TYR 23 10.346 -2.322 0.503 146 HA TYR 23 HA TYR 23 8.112 -1.257 2.103 147 HB2 TYR 23 2HB TYR 23 8.487 -1.328 -0.889 148 HB3 TYR 23 1HB TYR 23 6.943 -0.989 -0.124 149 HD1 TYR 23 1HD TYR 23 10.132 0.364 -1.129 150 HD2 TYR 23 2HD TYR 23 6.720 1.035 1.313 151 HE1 TYR 23 1HE TYR 23 10.710 2.749 -0.985 152 HE2 TYR 23 2HE TYR 23 7.289 3.418 1.469 153 HH TYR 23 HH TYR 23 9.114 4.900 1.203 154 H TYR 24 H TYR 24 6.139 -2.392 2.017 155 HA TYR 24 HA TYR 24 6.402 -5.244 1.475 156 HB2 TYR 24 2HB TYR 24 4.245 -3.568 2.752 157 HB3 TYR 24 1HB TYR 24 4.008 -5.267 2.370 158 HD1 TYR 24 1HD TYR 24 5.128 -6.990 3.624 159 HD2 TYR 24 2HD TYR 24 5.748 -2.885 4.553 160 HE1 TYR 24 1HE TYR 24 6.120 -7.634 5.781 161 HE2 TYR 24 2HE TYR 24 6.744 -3.518 6.707 162 HH TYR 24 HH TYR 24 7.639 -6.730 7.456 163 H TYR 25 H TYR 25 6.060 -5.907 -0.555 164 HA TYR 25 HA TYR 25 4.604 -4.294 -2.415 165 HB2 TYR 25 2HB TYR 25 6.484 -5.553 -3.241 166 HB3 TYR 25 1HB TYR 25 5.792 -7.063 -2.655 167 HD1 TYR 25 1HD TYR 25 4.686 -8.411 -4.174 168 HD2 TYR 25 2HD TYR 25 4.918 -4.232 -4.939 169 HE1 TYR 25 1HE TYR 25 3.545 -8.749 -6.328 170 HE2 TYR 25 2HE TYR 25 3.787 -4.558 -7.097 171 HH TYR 25 HH TYR 25 3.309 -6.244 -8.707 172 H ASP 26 H ASP 26 2.530 -4.258 -2.703 173 HA ASP 26 HA ASP 26 0.824 -6.438 -1.779 174 HB2 ASP 26 1HB ASP 26 -0.033 -4.331 -1.117 175 HB3 ASP 26 2HB ASP 26 0.293 -3.614 -2.689 176 HA PRO 27 HA PRO 27 0.750 -7.708 -6.085 177 HB2 PRO 27 2HB PRO 27 -0.211 -10.253 -5.273 178 HB3 PRO 27 1HB PRO 27 1.447 -9.822 -5.686 179 HG2 PRO 27 2HG PRO 27 0.542 -10.567 -3.159 180 HG3 PRO 27 1HG PRO 27 2.067 -9.747 -3.515 181 HD2 PRO 27 2HD PRO 27 -0.496 -8.619 -2.514 182 HD3 PRO 27 1HD PRO 27 1.174 -8.142 -2.141 183 H THR 28 H THR 28 -1.721 -7.436 -3.779 184 HA THR 28 HA THR 28 -3.894 -8.520 -5.279 185 HB THR 28 HB THR 28 -4.410 -6.402 -3.260 186 HG1 THR 28 1HG THR 28 -2.885 -7.288 -2.041 187 HG21 THR 28 1HG2 THR 28 -6.098 -7.988 -2.515 188 HG22 THR 28 2HG2 THR 28 -5.452 -9.217 -3.601 189 HG23 THR 28 3HG2 THR 28 -6.211 -7.768 -4.262 190 H THR 29 H THR 29 -2.860 -5.182 -4.553 191 HA THR 29 HA THR 29 -4.570 -4.233 -6.751 192 HB THR 29 HB THR 29 -3.209 -2.462 -4.733 193 HG1 THR 29 1HG THR 29 -4.415 -3.970 -3.535 194 HG21 THR 29 1HG2 THR 29 -4.219 -1.389 -6.683 195 HG22 THR 29 2HG2 THR 29 -5.106 -0.980 -5.215 196 HG23 THR 29 3HG2 THR 29 -5.758 -2.179 -6.332 197 H GLY 30 H GLY 30 -1.298 -4.152 -5.429 198 HA2 GLY 30 1HA GLY 30 0.560 -4.263 -7.015 199 HA3 GLY 30 2HA GLY 30 -0.353 -3.186 -8.066 200 H LEU 31 H LEU 31 0.129 -2.975 -4.588 201 HA LEU 31 HA LEU 31 1.310 -0.291 -4.994 202 HB2 LEU 31 1HB LEU 31 -0.519 -1.272 -2.798 203 HB3 LEU 31 2HB LEU 31 0.296 0.275 -2.775 204 HG LEU 31 HG LEU 31 -1.779 -0.597 -4.790 205 HD11 LEU 31 1HD1 LEU 31 -1.901 1.439 -2.569 206 HD12 LEU 31 2HD1 LEU 31 -2.697 -0.136 -2.576 207 HD13 LEU 31 3HD1 LEU 31 -3.177 1.099 -3.739 208 HD21 LEU 31 1HD2 LEU 31 -0.347 2.042 -4.490 209 HD22 LEU 31 2HD2 LEU 31 -1.671 1.707 -5.607 210 HD23 LEU 31 3HD2 LEU 31 -0.123 0.882 -5.800 211 H TYR 32 H TYR 32 2.493 0.438 -2.958 212 HA TYR 32 HA TYR 32 3.925 -1.831 -1.744 213 HB2 TYR 32 2HB TYR 32 4.955 0.810 -2.744 214 HB3 TYR 32 1HB TYR 32 5.826 -0.076 -1.499 215 HD1 TYR 32 1HD TYR 32 6.898 -2.219 -2.025 216 HD2 TYR 32 2HD TYR 32 4.897 0.033 -5.030 217 HE1 TYR 32 1HE TYR 32 7.993 -3.572 -3.760 218 HE2 TYR 32 2HE TYR 32 5.984 -1.315 -6.773 219 HH TYR 32 HH TYR 32 8.011 -2.694 -7.038 220 H TYR 33 H TYR 33 3.707 -1.941 0.398 221 HA TYR 33 HA TYR 33 2.540 0.329 1.781 222 HB2 TYR 33 2HB TYR 33 1.555 -1.828 2.278 223 HB3 TYR 33 1HB TYR 33 3.126 -2.486 2.728 224 HD1 TYR 33 1HD TYR 33 3.768 -2.461 4.968 225 HD2 TYR 33 2HD TYR 33 0.759 0.241 3.650 226 HE1 TYR 33 1HE TYR 33 3.433 -1.710 7.286 227 HE2 TYR 33 2HE TYR 33 0.411 0.991 5.962 228 HH TYR 33 HH TYR 33 0.775 0.300 8.201 229 H ASP 34 H ASP 34 3.622 1.699 2.942 230 HA ASP 34 HA ASP 34 6.472 1.329 3.387 231 HB2 ASP 34 1HB ASP 34 5.476 3.475 2.518 232 HB3 ASP 34 2HB ASP 34 4.696 3.686 4.081 233 HA PRO 35 HA PRO 35 5.308 -0.273 7.476 234 HB2 PRO 35 2HB PRO 35 7.886 -0.957 8.140 235 HB3 PRO 35 1HB PRO 35 6.785 -2.002 7.234 236 HG2 PRO 35 2HG PRO 35 9.001 -0.271 6.256 237 HG3 PRO 35 1HG PRO 35 8.483 -1.864 5.685 238 HD2 PRO 35 2HD PRO 35 7.892 0.440 4.385 239 HD3 PRO 35 1HD PRO 35 6.838 -0.989 4.353 240 H ASN 36 H ASN 36 7.549 2.176 6.558 241 HA ASN 36 HA ASN 36 8.225 2.877 9.298 242 HB2 ASN 36 1HB ASN 36 9.849 2.872 7.310 243 HB3 ASN 36 2HB ASN 36 9.046 4.355 6.803 244 HD21 ASN 36 1HD2 ASN 36 11.623 4.314 9.929 245 HD22 ASN 36 2HD2 ASN 36 11.072 2.851 9.176 246 H SER 37 H SER 37 6.564 4.261 6.499 247 HA SER 37 HA SER 37 5.703 6.550 8.092 248 HB2 SER 37 1HB SER 37 5.024 5.963 5.208 249 HB3 SER 37 2HB SER 37 4.970 7.521 6.038 250 HG SER 37 HG SER 37 7.064 6.267 4.822 251 H GLN 38 H GLN 38 4.569 3.493 7.183 252 HA GLN 38 HA GLN 38 2.665 2.343 7.479 253 HB2 GLN 38 1HB GLN 38 2.049 4.626 9.346 254 HB3 GLN 38 2HB GLN 38 1.017 3.213 9.180 255 HG2 GLN 38 1HG GLN 38 2.906 1.782 9.843 256 HG3 GLN 38 2HG GLN 38 3.893 3.223 10.065 257 HE21 GLN 38 1HE2 GLN 38 1.177 2.093 12.854 258 HE22 GLN 38 2HE2 GLN 38 1.285 1.312 11.313 259 H TYR 39 H TYR 39 2.870 4.030 5.252 260 HA TYR 39 HA TYR 39 0.015 4.336 4.643 261 HB2 TYR 39 2HB TYR 39 2.251 6.249 3.980 262 HB3 TYR 39 1HB TYR 39 0.765 6.203 3.036 263 HD1 TYR 39 1HD TYR 39 -1.440 6.307 4.508 264 HD2 TYR 39 2HD TYR 39 2.368 7.752 5.728 265 HE1 TYR 39 1HE TYR 39 -2.532 7.799 6.121 266 HE2 TYR 39 2HE TYR 39 1.286 9.253 7.353 267 HH TYR 39 HH TYR 39 -1.977 8.941 8.236 268 H TYR 40 H TYR 40 -0.291 4.348 2.182 269 HA TYR 40 HA TYR 40 1.349 2.174 1.105 270 HB2 TYR 40 2HB TYR 40 -1.348 3.253 0.278 271 HB3 TYR 40 1HB TYR 40 -0.477 2.010 -0.615 272 HD1 TYR 40 1HD TYR 40 -2.589 2.715 2.222 273 HD2 TYR 40 2HD TYR 40 0.025 -0.165 0.497 274 HE1 TYR 40 1HE TYR 40 -3.517 0.992 3.711 275 HE2 TYR 40 2HE TYR 40 -0.897 -1.894 1.971 276 HH TYR 40 HH TYR 40 -3.726 -1.545 3.696 277 H TYR 41 H TYR 41 2.204 2.260 -0.979 278 HA TYR 41 HA TYR 41 2.635 4.984 -1.991 279 HB2 TYR 41 2HB TYR 41 4.689 4.148 -0.988 280 HB3 TYR 41 1HB TYR 41 4.553 2.645 -1.890 281 HD1 TYR 41 1HD TYR 41 5.965 2.425 -3.679 282 HD2 TYR 41 2HD TYR 41 4.579 6.315 -2.651 283 HE1 TYR 41 1HE TYR 41 7.286 3.376 -5.520 284 HE2 TYR 41 2HE TYR 41 5.896 7.277 -4.492 285 HH TYR 41 HH TYR 41 7.369 5.305 -6.909 286 H ASN 42 H ASN 42 1.782 5.268 -3.902 287 HA ASN 42 HA ASN 42 1.129 3.037 -5.616 288 HB2 ASN 42 1HB ASN 42 -0.293 5.121 -5.391 289 HB3 ASN 42 2HB ASN 42 0.966 5.987 -6.265 290 HD21 ASN 42 1HD2 ASN 42 -1.796 4.685 -8.494 291 HD22 ASN 42 2HD2 ASN 42 -1.808 5.517 -6.973 292 H SER 43 H SER 43 2.735 2.093 -6.697 293 HA SER 43 HA SER 43 5.225 3.395 -7.173 294 HB2 SER 43 1HB SER 43 5.489 1.137 -8.559 295 HB3 SER 43 2HB SER 43 5.538 1.154 -6.794 296 HG SER 43 HG SER 43 3.878 -0.197 -8.309 297 H LEU 44 H LEU 44 2.310 3.346 -8.881 298 HA LEU 44 HA LEU 44 3.555 3.648 -11.489 299 HB2 LEU 44 1HB LEU 44 1.491 2.327 -11.225 300 HB3 LEU 44 2HB LEU 44 0.655 3.765 -10.673 301 HG LEU 44 HG LEU 44 1.061 4.810 -12.884 302 HD11 LEU 44 1HD1 LEU 44 1.781 3.386 -14.744 303 HD12 LEU 44 2HD1 LEU 44 2.112 2.079 -13.606 304 HD13 LEU 44 3HD1 LEU 44 3.046 3.573 -13.532 305 HD21 LEU 44 1HD2 LEU 44 -1.049 3.669 -12.390 306 HD22 LEU 44 2HD2 LEU 44 -0.366 2.155 -12.981 307 HD23 LEU 44 3HD2 LEU 44 -0.603 3.505 -14.088 308 H THR 45 H THR 45 1.650 5.578 -9.207 309 HA THR 45 HA THR 45 2.006 7.932 -10.912 310 HB THR 45 HB THR 45 0.302 7.768 -8.427 311 HG1 THR 45 1HG THR 45 -0.369 7.134 -11.132 312 HG21 THR 45 1HG2 THR 45 -0.932 9.588 -9.506 313 HG22 THR 45 2HG2 THR 45 0.159 9.519 -10.891 314 HG23 THR 45 3HG2 THR 45 0.768 10.018 -9.312 315 H GLN 46 H GLN 46 3.311 6.474 -8.185 316 HA GLN 46 HA GLN 46 4.881 7.046 -6.672 317 HB2 GLN 46 1HB GLN 46 5.266 9.491 -8.405 318 HB3 GLN 46 2HB GLN 46 6.378 8.917 -7.171 319 HG2 GLN 46 1HG GLN 46 6.780 6.893 -8.420 320 HG3 GLN 46 2HG GLN 46 5.587 7.373 -9.629 321 HE21 GLN 46 1HE2 GLN 46 7.728 9.519 -11.345 322 HE22 GLN 46 2HE2 GLN 46 6.108 8.964 -11.111 323 H GLN 47 H GLN 47 2.760 7.307 -5.457 324 HA GLN 47 HA GLN 47 2.782 9.883 -4.086 325 HB2 GLN 47 1HB GLN 47 0.379 10.184 -4.295 326 HB3 GLN 47 2HB GLN 47 1.098 10.086 -5.896 327 HG2 GLN 47 1HG GLN 47 0.421 7.716 -6.016 328 HG3 GLN 47 2HG GLN 47 -0.378 7.897 -4.458 329 HE21 GLN 47 1HE2 GLN 47 -2.594 10.431 -6.200 330 HE22 GLN 47 2HE2 GLN 47 -1.270 10.622 -5.099 331 H TYR 48 H TYR 48 1.473 9.787 -2.071 332 HA TYR 48 HA TYR 48 1.552 7.077 -0.954 333 HB2 TYR 48 2HB TYR 48 1.965 9.776 0.231 334 HB3 TYR 48 1HB TYR 48 1.287 8.515 1.254 335 HD1 TYR 48 1HD TYR 48 4.049 8.730 -1.283 336 HD2 TYR 48 2HD TYR 48 2.808 7.486 2.596 337 HE1 TYR 48 1HE TYR 48 6.302 7.838 -0.844 338 HE2 TYR 48 2HE TYR 48 5.046 6.589 3.038 339 HH TYR 48 HH TYR 48 7.021 5.961 2.040 340 H LEU 49 H LEU 49 -0.138 6.192 0.040 341 HA LEU 49 HA LEU 49 -2.725 7.582 -0.206 342 HB2 LEU 49 1HB LEU 49 -2.122 4.781 -1.168 343 HB3 LEU 49 2HB LEU 49 -3.689 5.563 -1.208 344 HG LEU 49 HG LEU 49 -1.356 6.755 -2.674 345 HD11 LEU 49 1HD1 LEU 49 -2.068 5.549 -4.670 346 HD12 LEU 49 2HD1 LEU 49 -3.231 4.635 -3.709 347 HD13 LEU 49 3HD1 LEU 49 -1.501 4.446 -3.417 348 HD21 LEU 49 1HD2 LEU 49 -3.166 7.631 -4.094 349 HD22 LEU 49 2HD2 LEU 49 -3.320 8.140 -2.413 350 HD23 LEU 49 3HD2 LEU 49 -4.349 6.851 -3.041 351 H TYR 50 H TYR 50 -4.468 6.446 0.949 352 HA TYR 50 HA TYR 50 -3.621 4.448 2.895 353 HB2 TYR 50 2HB TYR 50 -4.603 5.577 4.783 354 HB3 TYR 50 1HB TYR 50 -3.464 6.682 4.032 355 HD1 TYR 50 1HD TYR 50 -4.345 8.584 2.639 356 HD2 TYR 50 2HD TYR 50 -6.894 6.129 4.999 357 HE1 TYR 50 1HE TYR 50 -6.099 10.302 2.521 358 HE2 TYR 50 2HE TYR 50 -8.658 7.835 4.883 359 HH TYR 50 HH TYR 50 -8.747 10.378 4.520 360 H TRP 51 H TRP 51 -5.367 3.153 3.653 361 HA TRP 51 HA TRP 51 -7.506 3.045 1.687 362 HB2 TRP 51 2HB TRP 51 -6.449 0.939 2.179 363 HB3 TRP 51 1HB TRP 51 -6.698 1.163 3.908 364 HD1 TRP 51 1HD TRP 51 -9.001 0.463 4.918 365 HE1 TRP 51 1HE TRP 51 -11.077 -0.726 3.975 366 HE3 TRP 51 3HE TRP 51 -7.871 0.666 -0.071 367 HZ2 TRP 51 2HZ TRP 51 -12.098 -1.486 1.466 368 HZ3 TRP 51 3HZ TRP 51 -9.456 -0.332 -1.676 369 HH2 TRP 51 2HH TRP 51 -11.528 -1.377 -0.916 370 H ASP 52 H ASP 52 -9.377 4.018 2.003 371 HA ASP 52 HA ASP 52 -10.241 4.491 4.766 372 HB2 ASP 52 1HB ASP 52 -10.196 6.472 3.298 373 HB3 ASP 52 2HB ASP 52 -11.342 5.694 2.213 374 H GLY 53 H GLY 53 -11.805 3.314 5.620 375 HA2 GLY 53 1HA GLY 53 -12.717 0.999 4.281 376 HA3 GLY 53 2HA GLY 53 -13.246 1.551 5.858 377 H GLU 54 H GLU 54 -14.077 4.169 4.379 378 HA GLU 54 HA GLU 54 -16.733 3.128 3.711 379 HB2 GLU 54 1HB GLU 54 -16.624 4.932 5.378 380 HB3 GLU 54 2HB GLU 54 -15.818 5.970 4.208 381 HG2 GLU 54 1HG GLU 54 -17.770 6.033 2.825 382 HG3 GLU 54 2HG GLU 54 -18.575 4.831 3.832 383 H LYS 55 H LYS 55 -14.127 5.114 2.415 384 HA LYS 55 HA LYS 55 -15.497 5.721 -0.018 385 HB2 LYS 55 1HB LYS 55 -12.523 5.868 0.496 386 HB3 LYS 55 2HB LYS 55 -13.432 6.734 -0.735 387 HG2 LYS 55 1HG LYS 55 -13.743 7.115 2.235 388 HG3 LYS 55 2HG LYS 55 -12.802 8.155 1.166 389 HD2 LYS 55 1HD LYS 55 -15.693 7.622 0.609 390 HD3 LYS 55 2HD LYS 55 -15.216 8.839 1.795 391 HE2 LYS 55 1HE LYS 55 -14.210 8.769 -1.041 392 HE3 LYS 55 2HE LYS 55 -15.600 9.717 -0.515 393 HZ1 LYS 55 1HZ LYS 55 -12.839 9.997 0.557 394 HZ2 LYS 55 2HZ LYS 55 -14.183 10.935 0.993 395 HZ3 LYS 55 3HZ LYS 55 -13.557 11.028 -0.581 396 H GLU 56 H GLU 56 -13.707 3.071 1.126 397 HA GLU 56 HA GLU 56 -13.134 1.059 0.275 398 HB2 GLU 56 1HB GLU 56 -15.275 1.827 -1.707 399 HB3 GLU 56 2HB GLU 56 -14.522 0.237 -1.663 400 HG2 GLU 56 1HG GLU 56 -15.358 -0.176 0.535 401 HG3 GLU 56 2HG GLU 56 -15.941 1.480 0.676 402 H THR 57 H THR 57 -11.466 3.178 -0.410 403 HA THR 57 HA THR 57 -10.135 2.069 -2.701 404 HB THR 57 HB THR 57 -11.767 3.604 -3.778 405 HG1 THR 57 1HG THR 57 -9.584 5.077 -4.355 406 HG21 THR 57 1HG2 THR 57 -12.034 5.253 -2.022 407 HG22 THR 57 2HG2 THR 57 -11.478 6.046 -3.498 408 HG23 THR 57 3HG2 THR 57 -10.346 5.737 -2.181 409 H TYR 58 H TYR 58 -8.031 3.116 -3.044 410 HA TYR 58 HA TYR 58 -6.890 4.023 -0.533 411 HB2 TYR 58 2HB TYR 58 -5.533 3.517 -3.190 412 HB3 TYR 58 1HB TYR 58 -4.730 3.801 -1.653 413 HD1 TYR 58 1HD TYR 58 -6.542 1.370 -3.692 414 HD2 TYR 58 2HD TYR 58 -4.679 2.067 0.067 415 HE1 TYR 58 1HE TYR 58 -6.555 -1.048 -3.246 416 HE2 TYR 58 2HE TYR 58 -4.688 -0.349 0.524 417 HH TYR 58 HH TYR 58 -5.404 -2.673 -1.888 418 H VAL 59 H VAL 59 -7.066 6.061 -0.088 419 HA VAL 59 HA VAL 59 -7.217 8.024 -2.258 420 HB VAL 59 HB VAL 59 -8.003 9.487 -0.180 421 HG11 VAL 59 1HG1 VAL 59 -9.341 9.015 -2.172 422 HG12 VAL 59 2HG1 VAL 59 -10.320 8.872 -0.712 423 HG13 VAL 59 3HG1 VAL 59 -9.741 7.421 -1.531 424 HG21 VAL 59 1HG2 VAL 59 -8.691 6.669 0.658 425 HG22 VAL 59 2HG2 VAL 59 -9.323 8.140 1.396 426 HG23 VAL 59 3HG2 VAL 59 -7.603 7.771 1.505 427 HA PRO 60 HA PRO 60 -3.204 9.464 -1.409 428 HB2 PRO 60 2HB PRO 60 -4.101 12.182 -2.088 429 HB3 PRO 60 1HB PRO 60 -2.921 11.150 -2.900 430 HG2 PRO 60 2HG PRO 60 -5.327 11.647 -3.975 431 HG3 PRO 60 1HG PRO 60 -4.529 10.073 -4.161 432 HD2 PRO 60 2HD PRO 60 -6.745 10.870 -2.307 433 HD3 PRO 60 1HD PRO 60 -6.533 9.374 -3.239 434 H ALA 61 H ALA 61 -2.342 9.760 0.478 435 HA ALA 61 HA ALA 61 -3.587 11.547 2.438 436 HB1 ALA 61 1HB ALA 61 -1.371 9.529 2.784 437 HB2 ALA 61 2HB ALA 61 -3.071 9.275 3.180 438 HB3 ALA 61 3HB ALA 61 -2.124 10.465 4.074 439 H ALA 62 H ALA 62 -0.639 11.057 0.614 440 HA ALA 62 HA ALA 62 0.310 13.681 1.542 441 HB1 ALA 62 1HB ALA 62 2.013 11.277 0.900 442 HB2 ALA 62 2HB ALA 62 1.672 11.900 2.515 443 HB3 ALA 62 3HB ALA 62 2.604 12.871 1.374 444 H GLU 63 H GLU 63 -0.302 14.896 -0.144 445 HA GLU 63 HA GLU 63 0.602 14.081 -2.824 446 HB2 GLU 63 1HB GLU 63 -1.519 16.101 -2.060 447 HB3 GLU 63 2HB GLU 63 -1.066 15.654 -3.700 448 HG2 GLU 63 1HG GLU 63 -1.755 13.309 -3.144 449 HG3 GLU 63 2HG GLU 63 -2.418 13.939 -1.637 450 H SER 64 H SER 64 1.891 15.442 -4.006 451 HA SER 64 HA SER 64 2.522 18.077 -2.991 452 HB2 SER 64 1HB SER 64 5.031 17.506 -3.070 453 HB3 SER 64 2HB SER 64 4.116 16.948 -1.671 454 HG SER 64 HG SER 64 3.936 15.046 -3.471 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -15.262 -7.447 -8.803 2 H2 GLY 1 2H GLY 1 -15.507 -7.681 -7.140 3 H3 GLY 1 3H GLY 1 -16.039 -6.252 -7.883 4 HA2 GLY 1 1HA GLY 1 -17.645 -7.480 -9.184 5 HA3 GLY 1 2HA GLY 1 -17.083 -8.970 -8.438 6 H ALA 2 H ALA 2 -19.740 -7.768 -8.417 7 HA ALA 2 HA ALA 2 -20.087 -6.917 -5.647 8 HB1 ALA 2 1HB ALA 2 -21.305 -5.716 -7.394 9 HB2 ALA 2 2HB ALA 2 -22.410 -6.509 -6.274 10 HB3 ALA 2 3HB ALA 2 -22.112 -7.213 -7.862 11 H MET 3 H MET 3 -20.892 -9.590 -7.797 12 HA MET 3 HA MET 3 -22.478 -11.026 -5.942 13 HB2 MET 3 1HB MET 3 -22.548 -11.453 -8.369 14 HB3 MET 3 2HB MET 3 -20.896 -12.053 -8.307 15 HG2 MET 3 1HG MET 3 -21.613 -13.873 -6.843 16 HG3 MET 3 2HG MET 3 -23.268 -13.276 -6.915 17 HE1 MET 3 1HE MET 3 -24.096 -13.770 -10.732 18 HE2 MET 3 2HE MET 3 -23.406 -12.333 -9.974 19 HE3 MET 3 3HE MET 3 -24.709 -13.213 -9.176 20 H GLY 4 H GLY 4 -19.045 -11.041 -6.728 21 HA2 GLY 4 1HA GLY 4 -18.564 -12.934 -4.533 22 HA3 GLY 4 2HA GLY 4 -17.419 -12.526 -5.806 23 H THR 5 H THR 5 -15.966 -10.931 -5.465 24 HA THR 5 HA THR 5 -16.350 -9.221 -3.119 25 HB THR 5 HB THR 5 -14.918 -11.113 -2.436 26 HG1 THR 5 1HG THR 5 -13.279 -8.798 -2.591 27 HG21 THR 5 1HG2 THR 5 -13.044 -10.051 -4.546 28 HG22 THR 5 2HG2 THR 5 -13.872 -11.605 -4.573 29 HG23 THR 5 3HG2 THR 5 -12.642 -11.283 -3.351 30 H LYS 6 H LYS 6 -15.187 -7.248 -3.160 31 HA LYS 6 HA LYS 6 -13.945 -6.564 -5.743 32 HB2 LYS 6 1HB LYS 6 -14.850 -4.302 -5.547 33 HB3 LYS 6 2HB LYS 6 -16.155 -5.479 -5.549 34 HG2 LYS 6 1HG LYS 6 -16.438 -5.255 -3.176 35 HG3 LYS 6 2HG LYS 6 -15.013 -4.220 -3.068 36 HD2 LYS 6 1HD LYS 6 -16.155 -2.577 -4.530 37 HD3 LYS 6 2HD LYS 6 -17.597 -3.592 -4.490 38 HE2 LYS 6 1HE LYS 6 -17.754 -1.762 -2.875 39 HE3 LYS 6 2HE LYS 6 -17.727 -3.328 -2.068 40 HZ1 LYS 6 1HZ LYS 6 -15.429 -3.012 -1.511 41 HZ2 LYS 6 2HZ LYS 6 -16.301 -1.655 -0.990 42 HZ3 LYS 6 3HZ LYS 6 -15.354 -1.568 -2.397 43 H TYR 7 H TYR 7 -13.081 -3.984 -4.952 44 HA TYR 7 HA TYR 7 -10.787 -4.420 -3.437 45 HB2 TYR 7 2HB TYR 7 -12.382 -1.905 -3.930 46 HB3 TYR 7 1HB TYR 7 -10.871 -1.901 -3.032 47 HD1 TYR 7 1HD TYR 7 -12.404 -2.311 -6.338 48 HD2 TYR 7 2HD TYR 7 -8.754 -2.245 -4.156 49 HE1 TYR 7 1HE TYR 7 -11.154 -2.107 -8.445 50 HE2 TYR 7 2HE TYR 7 -7.493 -2.044 -6.258 51 HH TYR 7 HH TYR 7 -9.018 -1.349 -9.253 52 H ALA 8 H ALA 8 -10.619 -5.027 -1.397 53 HA ALA 8 HA ALA 8 -12.611 -4.079 0.546 54 HB1 ALA 8 1HB ALA 8 -12.539 -6.273 1.636 55 HB2 ALA 8 2HB ALA 8 -11.469 -6.864 0.366 56 HB3 ALA 8 3HB ALA 8 -13.122 -6.388 -0.023 57 H VAL 9 H VAL 9 -11.723 -4.767 2.862 58 HA VAL 9 HA VAL 9 -9.487 -3.160 3.343 59 HB VAL 9 HB VAL 9 -9.483 -4.195 5.637 60 HG11 VAL 9 1HG1 VAL 9 -12.133 -3.207 4.589 61 HG12 VAL 9 2HG1 VAL 9 -10.788 -2.200 5.126 62 HG13 VAL 9 3HG1 VAL 9 -11.636 -3.227 6.282 63 HG21 VAL 9 1HG2 VAL 9 -11.827 -5.733 4.524 64 HG22 VAL 9 2HG2 VAL 9 -11.367 -5.657 6.225 65 HG23 VAL 9 3HG2 VAL 9 -10.289 -6.416 5.052 66 HA PRO 10 HA PRO 10 -6.327 -6.130 2.293 67 HB2 PRO 10 2HB PRO 10 -4.306 -4.384 2.184 68 HB3 PRO 10 1HB PRO 10 -5.558 -4.437 0.940 69 HG2 PRO 10 2HG PRO 10 -5.188 -2.508 3.176 70 HG3 PRO 10 1HG PRO 10 -5.797 -2.226 1.538 71 HD2 PRO 10 2HD PRO 10 -7.354 -2.530 3.839 72 HD3 PRO 10 1HD PRO 10 -7.939 -2.644 2.169 73 H ASP 11 H ASP 11 -5.037 -7.381 3.480 74 HA ASP 11 HA ASP 11 -4.186 -6.425 6.116 75 HB2 ASP 11 1HB ASP 11 -5.372 -8.565 6.162 76 HB3 ASP 11 2HB ASP 11 -4.236 -9.237 4.998 77 H THR 12 H THR 12 -2.177 -5.864 6.434 78 HA THR 12 HA THR 12 -0.349 -5.856 4.240 79 HB THR 12 HB THR 12 1.172 -4.734 5.892 80 HG1 THR 12 1HG THR 12 0.599 -5.295 7.910 81 HG21 THR 12 1HG2 THR 12 -0.309 -2.711 6.104 82 HG22 THR 12 2HG2 THR 12 -1.640 -3.701 5.493 83 HG23 THR 12 3HG2 THR 12 -0.227 -3.394 4.479 84 H SER 13 H SER 13 -1.043 -8.078 6.680 85 HA SER 13 HA SER 13 1.573 -9.131 7.097 86 HB2 SER 13 1HB SER 13 -1.094 -10.516 7.476 87 HB3 SER 13 2HB SER 13 0.444 -10.963 8.216 88 HG SER 13 HG SER 13 -1.231 -8.770 8.752 89 H THR 14 H THR 14 -0.802 -9.484 4.618 90 HA THR 14 HA THR 14 0.419 -11.945 3.627 91 HB THR 14 HB THR 14 -1.481 -11.820 1.926 92 HG1 THR 14 1HG THR 14 -1.924 -9.538 2.379 93 HG21 THR 14 1HG2 THR 14 -2.192 -12.010 4.854 94 HG22 THR 14 2HG2 THR 14 -1.523 -13.313 3.870 95 HG23 THR 14 3HG2 THR 14 -3.130 -12.676 3.518 96 H TYR 15 H TYR 15 1.520 -9.062 3.452 97 HA TYR 15 HA TYR 15 1.804 -8.819 0.557 98 HB2 TYR 15 2HB TYR 15 2.731 -7.086 2.844 99 HB3 TYR 15 1HB TYR 15 3.193 -6.788 1.176 100 HD1 TYR 15 1HD TYR 15 1.700 -4.896 3.024 101 HD2 TYR 15 2HD TYR 15 0.340 -7.727 0.155 102 HE1 TYR 15 1HE TYR 15 -0.341 -3.568 2.689 103 HE2 TYR 15 2HE TYR 15 -1.707 -6.406 -0.181 104 HH TYR 15 HH TYR 15 -2.979 -4.716 0.681 105 H GLN 16 H GLN 16 4.090 -8.259 -0.190 106 HA GLN 16 HA GLN 16 5.944 -10.249 0.951 107 HB2 GLN 16 1HB GLN 16 5.891 -9.070 -1.835 108 HB3 GLN 16 2HB GLN 16 7.003 -10.307 -1.262 109 HG2 GLN 16 1HG GLN 16 5.202 -11.875 -1.001 110 HG3 GLN 16 2HG GLN 16 4.017 -10.632 -1.411 111 HE21 GLN 16 1HE2 GLN 16 4.482 -10.885 -4.866 112 HE22 GLN 16 2HE2 GLN 16 3.815 -9.977 -3.555 113 H TYR 17 H TYR 17 7.253 -9.195 2.336 114 HA TYR 17 HA TYR 17 7.973 -6.461 2.037 115 HB2 TYR 17 2HB TYR 17 7.957 -7.502 4.246 116 HB3 TYR 17 1HB TYR 17 9.223 -8.625 3.753 117 HD1 TYR 17 1HD TYR 17 8.484 -5.084 4.506 118 HD2 TYR 17 2HD TYR 17 11.522 -7.970 3.766 119 HE1 TYR 17 1HE TYR 17 10.189 -3.471 5.252 120 HE2 TYR 17 2HE TYR 17 13.233 -6.371 4.505 121 HH TYR 17 HH TYR 17 13.544 -3.977 4.757 122 H ASP 18 H ASP 18 9.459 -5.600 0.771 123 HA ASP 18 HA ASP 18 11.453 -7.395 -0.426 124 HB2 ASP 18 1HB ASP 18 9.923 -6.109 -1.948 125 HB3 ASP 18 2HB ASP 18 10.676 -4.628 -1.355 126 H GLU 19 H GLU 19 13.589 -6.995 -0.265 127 HA GLU 19 HA GLU 19 14.387 -5.406 2.013 128 HB2 GLU 19 1HB GLU 19 16.439 -6.606 1.862 129 HB3 GLU 19 2HB GLU 19 15.140 -7.718 1.485 130 HG2 GLU 19 1HG GLU 19 15.589 -7.415 -0.913 131 HG3 GLU 19 2HG GLU 19 16.971 -6.408 -0.487 132 H SER 20 H SER 20 14.598 -5.262 -1.424 133 HA SER 20 HA SER 20 16.745 -3.335 -1.434 134 HB2 SER 20 1HB SER 20 15.089 -4.700 -3.541 135 HB3 SER 20 2HB SER 20 16.244 -3.427 -3.948 136 HG SER 20 HG SER 20 17.438 -5.219 -4.106 137 H SER 21 H SER 21 13.283 -3.468 -1.711 138 HA SER 21 HA SER 21 13.167 -0.618 -2.357 139 HB2 SER 21 1HB SER 21 11.678 -2.148 -3.588 140 HB3 SER 21 2HB SER 21 10.916 -2.621 -2.069 141 HG SER 21 HG SER 21 10.781 -0.044 -2.050 142 H GLY 22 H GLY 22 12.775 -2.781 0.326 143 HA2 GLY 22 1HA GLY 22 12.637 -2.284 2.577 144 HA3 GLY 22 2HA GLY 22 12.702 -0.578 2.163 145 H TYR 23 H TYR 23 10.269 -2.139 0.460 146 HA TYR 23 HA TYR 23 8.248 -1.264 2.419 147 HB2 TYR 23 2HB TYR 23 8.074 -1.231 -0.605 148 HB3 TYR 23 1HB TYR 23 6.763 -0.811 0.487 149 HD1 TYR 23 1HD TYR 23 7.556 1.076 2.306 150 HD2 TYR 23 2HD TYR 23 9.153 0.518 -1.597 151 HE1 TYR 23 1HE TYR 23 8.273 3.429 2.265 152 HE2 TYR 23 2HE TYR 23 9.879 2.864 -1.643 153 HH TYR 23 HH TYR 23 9.912 4.847 1.127 154 H TYR 24 H TYR 24 6.151 -2.377 2.199 155 HA TYR 24 HA TYR 24 6.462 -5.216 1.607 156 HB2 TYR 24 2HB TYR 24 4.224 -3.597 2.827 157 HB3 TYR 24 1HB TYR 24 4.052 -5.302 2.429 158 HD1 TYR 24 1HD TYR 24 5.197 -7.000 3.712 159 HD2 TYR 24 2HD TYR 24 5.625 -2.880 4.685 160 HE1 TYR 24 1HE TYR 24 6.156 -7.620 5.883 161 HE2 TYR 24 2HE TYR 24 6.585 -3.489 6.862 162 HH TYR 24 HH TYR 24 6.620 -5.328 8.401 163 H TYR 25 H TYR 25 6.148 -5.872 -0.421 164 HA TYR 25 HA TYR 25 4.850 -4.178 -2.327 165 HB2 TYR 25 2HB TYR 25 6.727 -5.514 -3.060 166 HB3 TYR 25 1HB TYR 25 5.927 -6.998 -2.550 167 HD1 TYR 25 1HD TYR 25 4.719 -8.228 -4.106 168 HD2 TYR 25 2HD TYR 25 5.479 -4.113 -4.879 169 HE1 TYR 25 1HE TYR 25 3.717 -8.472 -6.334 170 HE2 TYR 25 2HE TYR 25 4.479 -4.347 -7.116 171 HH TYR 25 HH TYR 25 4.069 -6.188 -8.770 172 H ASP 26 H ASP 26 2.850 -4.175 -2.957 173 HA ASP 26 HA ASP 26 0.979 -6.183 -1.956 174 HB2 ASP 26 1HB ASP 26 0.237 -4.014 -1.379 175 HB3 ASP 26 2HB ASP 26 0.671 -3.352 -2.947 176 HA PRO 27 HA PRO 27 1.050 -7.585 -6.299 177 HB2 PRO 27 2HB PRO 27 0.257 -10.103 -5.707 178 HB3 PRO 27 1HB PRO 27 1.942 -9.583 -5.569 179 HG2 PRO 27 2HG PRO 27 -0.141 -9.846 -3.426 180 HG3 PRO 27 1HG PRO 27 1.561 -10.351 -3.404 181 HD2 PRO 27 2HD PRO 27 0.716 -8.049 -2.239 182 HD3 PRO 27 1HD PRO 27 2.320 -8.224 -2.972 183 H THR 28 H THR 28 -1.343 -7.213 -3.893 184 HA THR 28 HA THR 28 -3.553 -8.407 -5.212 185 HB THR 28 HB THR 28 -3.976 -6.108 -3.369 186 HG1 THR 28 1HG THR 28 -2.506 -6.931 -2.081 187 HG21 THR 28 1HG2 THR 28 -5.636 -7.655 -2.408 188 HG22 THR 28 2HG2 THR 28 -5.127 -8.892 -3.559 189 HG23 THR 28 3HG2 THR 28 -5.880 -7.404 -4.136 190 H THR 29 H THR 29 -2.414 -5.043 -4.951 191 HA THR 29 HA THR 29 -4.099 -4.388 -7.275 192 HB THR 29 HB THR 29 -3.062 -2.422 -5.227 193 HG1 THR 29 1HG THR 29 -4.540 -3.355 -4.006 194 HG21 THR 29 1HG2 THR 29 -5.243 -2.223 -7.309 195 HG22 THR 29 2HG2 THR 29 -3.650 -1.472 -7.411 196 HG23 THR 29 3HG2 THR 29 -4.789 -0.960 -6.165 197 H GLY 30 H GLY 30 -0.963 -3.853 -5.713 198 HA2 GLY 30 1HA GLY 30 0.964 -4.129 -7.287 199 HA3 GLY 30 2HA GLY 30 0.094 -3.046 -8.365 200 H LEU 31 H LEU 31 0.416 -2.795 -4.873 201 HA LEU 31 HA LEU 31 1.720 -0.169 -5.289 202 HB2 LEU 31 1HB LEU 31 -0.258 -0.975 -3.160 203 HB3 LEU 31 2HB LEU 31 0.561 0.574 -3.236 204 HG LEU 31 HG LEU 31 -1.380 -0.479 -5.299 205 HD11 LEU 31 1HD1 LEU 31 -1.691 1.634 -3.173 206 HD12 LEU 31 2HD1 LEU 31 -2.510 0.073 -3.237 207 HD13 LEU 31 3HD1 LEU 31 -2.854 1.302 -4.454 208 HD21 LEU 31 1HD2 LEU 31 0.353 0.997 -6.242 209 HD22 LEU 31 2HD2 LEU 31 -0.080 2.235 -5.063 210 HD23 LEU 31 3HD2 LEU 31 -1.248 1.731 -6.285 211 H TYR 32 H TYR 32 2.685 0.590 -3.076 212 HA TYR 32 HA TYR 32 4.064 -1.685 -1.808 213 HB2 TYR 32 2HB TYR 32 5.115 1.006 -2.653 214 HB3 TYR 32 1HB TYR 32 5.893 0.112 -1.356 215 HD1 TYR 32 1HD TYR 32 6.941 -2.092 -1.837 216 HD2 TYR 32 2HD TYR 32 5.422 0.398 -4.934 217 HE1 TYR 32 1HE TYR 32 8.260 -3.351 -3.486 218 HE2 TYR 32 2HE TYR 32 6.734 -0.855 -6.592 219 HH TYR 32 HH TYR 32 8.791 -2.237 -6.636 220 H TYR 33 H TYR 33 3.662 -1.854 0.315 221 HA TYR 33 HA TYR 33 2.447 0.406 1.702 222 HB2 TYR 33 2HB TYR 33 1.322 -1.700 2.034 223 HB3 TYR 33 1HB TYR 33 2.825 -2.490 2.493 224 HD1 TYR 33 1HD TYR 33 3.579 -2.472 4.731 225 HD2 TYR 33 2HD TYR 33 0.354 0.055 3.571 226 HE1 TYR 33 1HE TYR 33 3.132 -1.965 7.093 227 HE2 TYR 33 2HE TYR 33 -0.095 0.572 5.932 228 HH TYR 33 HH TYR 33 0.271 -0.400 8.118 229 H ASP 34 H ASP 34 3.650 1.761 2.832 230 HA ASP 34 HA ASP 34 6.376 1.050 3.542 231 HB2 ASP 34 1HB ASP 34 5.932 3.330 2.707 232 HB3 ASP 34 2HB ASP 34 4.844 3.611 4.062 233 HA PRO 35 HA PRO 35 4.937 -0.505 7.492 234 HB2 PRO 35 2HB PRO 35 7.499 -0.937 8.432 235 HB3 PRO 35 1HB PRO 35 6.558 -2.099 7.485 236 HG2 PRO 35 2HG PRO 35 8.717 -0.239 6.611 237 HG3 PRO 35 1HG PRO 35 8.363 -1.886 6.064 238 HD2 PRO 35 2HD PRO 35 7.713 0.301 4.616 239 HD3 PRO 35 1HD PRO 35 6.732 -1.177 4.604 240 H ASN 36 H ASN 36 7.104 2.131 6.853 241 HA ASN 36 HA ASN 36 7.283 2.874 9.644 242 HB2 ASN 36 1HB ASN 36 9.122 3.188 7.885 243 HB3 ASN 36 2HB ASN 36 8.173 4.558 7.311 244 HD21 ASN 36 1HD2 ASN 36 10.242 4.736 10.800 245 HD22 ASN 36 2HD2 ASN 36 9.951 3.227 9.991 246 H SER 37 H SER 37 5.930 4.342 6.686 247 HA SER 37 HA SER 37 4.616 6.394 8.233 248 HB2 SER 37 1HB SER 37 4.372 5.761 5.289 249 HB3 SER 37 2HB SER 37 3.875 7.253 6.080 250 HG SER 37 HG SER 37 6.465 6.254 5.592 251 H GLN 38 H GLN 38 3.824 3.265 7.129 252 HA GLN 38 HA GLN 38 1.956 1.988 7.165 253 HB2 GLN 38 1HB GLN 38 0.937 4.240 8.893 254 HB3 GLN 38 2HB GLN 38 -0.018 2.808 8.532 255 HG2 GLN 38 1HG GLN 38 1.603 1.394 9.603 256 HG3 GLN 38 2HG GLN 38 2.684 2.761 9.859 257 HE21 GLN 38 1HE2 GLN 38 0.001 4.126 12.150 258 HE22 GLN 38 2HE2 GLN 38 0.495 4.572 10.553 259 H TYR 39 H TYR 39 2.466 3.910 5.073 260 HA TYR 39 HA TYR 39 -0.272 4.275 4.058 261 HB2 TYR 39 2HB TYR 39 2.170 6.002 3.633 262 HB3 TYR 39 1HB TYR 39 0.722 6.129 2.644 263 HD1 TYR 39 1HD TYR 39 2.369 7.551 5.323 264 HD2 TYR 39 2HD TYR 39 -1.519 6.275 4.165 265 HE1 TYR 39 1HE TYR 39 1.382 9.080 6.975 266 HE2 TYR 39 2HE TYR 39 -2.521 7.795 5.808 267 HH TYR 39 HH TYR 39 -0.661 10.211 7.457 268 H TYR 40 H TYR 40 -0.410 4.250 1.685 269 HA TYR 40 HA TYR 40 1.293 2.127 0.612 270 HB2 TYR 40 2HB TYR 40 -1.401 3.185 -0.255 271 HB3 TYR 40 1HB TYR 40 -0.475 2.014 -1.191 272 HD1 TYR 40 1HD TYR 40 -0.310 -0.275 -0.504 273 HD2 TYR 40 2HD TYR 40 -2.335 2.560 1.939 274 HE1 TYR 40 1HE TYR 40 -1.259 -2.110 0.825 275 HE2 TYR 40 2HE TYR 40 -3.289 0.731 3.279 276 HH TYR 40 HH TYR 40 -2.281 -2.599 2.818 277 H TYR 41 H TYR 41 2.411 2.339 -1.244 278 HA TYR 41 HA TYR 41 2.772 5.089 -2.215 279 HB2 TYR 41 2HB TYR 41 4.705 4.295 -0.958 280 HB3 TYR 41 1HB TYR 41 4.771 2.832 -1.928 281 HD1 TYR 41 1HD TYR 41 6.441 2.751 -3.465 282 HD2 TYR 41 2HD TYR 41 4.722 6.529 -2.538 283 HE1 TYR 41 1HE TYR 41 8.007 3.833 -5.011 284 HE2 TYR 41 2HE TYR 41 6.283 7.625 -4.086 285 HH TYR 41 HH TYR 41 8.283 5.818 -6.260 286 H ASN 42 H ASN 42 2.004 5.332 -4.176 287 HA ASN 42 HA ASN 42 1.509 3.133 -5.947 288 HB2 ASN 42 1HB ASN 42 0.105 5.210 -5.847 289 HB3 ASN 42 2HB ASN 42 1.446 6.101 -6.554 290 HD21 ASN 42 1HD2 ASN 42 -1.144 4.849 -9.040 291 HD22 ASN 42 2HD2 ASN 42 -1.316 5.528 -7.460 292 H SER 43 H SER 43 2.970 2.208 -7.226 293 HA SER 43 HA SER 43 5.637 3.245 -7.306 294 HB2 SER 43 1HB SER 43 5.980 1.159 -8.788 295 HB3 SER 43 2HB SER 43 5.516 0.909 -7.105 296 HG SER 43 HG SER 43 3.842 -0.114 -7.830 297 H LEU 44 H LEU 44 2.906 3.598 -9.299 298 HA LEU 44 HA LEU 44 4.470 4.154 -11.696 299 HB2 LEU 44 1HB LEU 44 2.443 2.876 -11.984 300 HB3 LEU 44 2HB LEU 44 1.502 4.110 -11.173 301 HG LEU 44 HG LEU 44 1.970 5.672 -13.031 302 HD11 LEU 44 1HD1 LEU 44 2.913 4.797 -15.121 303 HD12 LEU 44 2HD1 LEU 44 3.287 3.279 -14.300 304 HD13 LEU 44 3HD1 LEU 44 4.082 4.771 -13.799 305 HD21 LEU 44 1HD2 LEU 44 -0.079 4.376 -13.035 306 HD22 LEU 44 2HD2 LEU 44 0.745 3.037 -13.836 307 HD23 LEU 44 3HD2 LEU 44 0.527 4.570 -14.680 308 H THR 45 H THR 45 2.015 5.845 -9.739 309 HA THR 45 HA THR 45 2.698 8.351 -11.036 310 HB THR 45 HB THR 45 0.762 8.122 -8.755 311 HG1 THR 45 1HG THR 45 0.005 7.610 -11.452 312 HG21 THR 45 1HG2 THR 45 0.775 9.777 -11.283 313 HG22 THR 45 2HG2 THR 45 1.248 10.341 -9.680 314 HG23 THR 45 3HG2 THR 45 -0.423 9.868 -9.991 315 H GLN 46 H GLN 46 3.579 6.613 -8.312 316 HA GLN 46 HA GLN 46 4.925 6.960 -6.560 317 HB2 GLN 46 1HB GLN 46 5.812 9.342 -8.192 318 HB3 GLN 46 2HB GLN 46 6.676 8.688 -6.802 319 HG2 GLN 46 1HG GLN 46 6.893 6.539 -7.975 320 HG3 GLN 46 2HG GLN 46 6.082 7.235 -9.373 321 HE21 GLN 46 1HE2 GLN 46 9.318 7.721 -10.585 322 HE22 GLN 46 2HE2 GLN 46 7.844 6.812 -10.678 323 H GLN 47 H GLN 47 2.431 7.675 -6.060 324 HA GLN 47 HA GLN 47 2.703 10.075 -4.376 325 HB2 GLN 47 1HB GLN 47 0.300 10.400 -4.578 326 HB3 GLN 47 2HB GLN 47 1.032 10.351 -6.174 327 HG2 GLN 47 1HG GLN 47 0.308 8.037 -6.442 328 HG3 GLN 47 2HG GLN 47 -0.430 8.082 -4.843 329 HE21 GLN 47 1HE2 GLN 47 -3.292 9.819 -5.863 330 HE22 GLN 47 2HE2 GLN 47 -2.303 9.318 -4.532 331 H TYR 48 H TYR 48 1.130 9.939 -2.446 332 HA TYR 48 HA TYR 48 1.394 7.233 -1.330 333 HB2 TYR 48 2HB TYR 48 1.674 9.936 -0.086 334 HB3 TYR 48 1HB TYR 48 1.183 8.567 0.908 335 HD1 TYR 48 1HD TYR 48 2.750 7.029 1.692 336 HD2 TYR 48 2HD TYR 48 3.873 9.766 -1.367 337 HE1 TYR 48 1HE TYR 48 5.086 6.324 1.930 338 HE2 TYR 48 2HE TYR 48 6.220 9.068 -1.132 339 HH TYR 48 HH TYR 48 7.138 6.306 0.675 340 H LEU 49 H LEU 49 -0.245 6.279 -0.312 341 HA LEU 49 HA LEU 49 -2.881 7.582 -0.412 342 HB2 LEU 49 1HB LEU 49 -2.233 4.827 -1.473 343 HB3 LEU 49 2HB LEU 49 -3.824 5.557 -1.420 344 HG LEU 49 HG LEU 49 -1.604 6.849 -2.973 345 HD11 LEU 49 1HD1 LEU 49 -3.472 4.692 -3.938 346 HD12 LEU 49 2HD1 LEU 49 -1.716 4.583 -3.804 347 HD13 LEU 49 3HD1 LEU 49 -2.444 5.689 -4.967 348 HD21 LEU 49 1HD2 LEU 49 -3.526 7.702 -4.270 349 HD22 LEU 49 2HD2 LEU 49 -3.559 8.193 -2.575 350 HD23 LEU 49 3HD2 LEU 49 -4.611 6.893 -3.137 351 H TYR 50 H TYR 50 -4.535 6.235 0.762 352 HA TYR 50 HA TYR 50 -3.480 4.213 2.550 353 HB2 TYR 50 2HB TYR 50 -4.293 5.200 4.589 354 HB3 TYR 50 1HB TYR 50 -3.203 6.338 3.816 355 HD1 TYR 50 1HD TYR 50 -4.217 8.313 2.569 356 HD2 TYR 50 2HD TYR 50 -6.484 5.795 5.140 357 HE1 TYR 50 1HE TYR 50 -5.917 10.076 2.789 358 HE2 TYR 50 2HE TYR 50 -8.200 7.539 5.354 359 HH TYR 50 HH TYR 50 -8.234 10.110 5.155 360 H TRP 51 H TRP 51 -5.116 2.824 3.363 361 HA TRP 51 HA TRP 51 -7.481 2.798 1.704 362 HB2 TRP 51 2HB TRP 51 -6.374 0.668 2.088 363 HB3 TRP 51 1HB TRP 51 -6.531 0.864 3.834 364 HD1 TRP 51 1HD TRP 51 -8.824 0.194 4.937 365 HE1 TRP 51 1HE TRP 51 -10.976 -0.901 4.053 366 HE3 TRP 51 3HE TRP 51 -7.895 0.487 -0.085 367 HZ2 TRP 51 2HZ TRP 51 -12.127 -1.555 1.579 368 HZ3 TRP 51 3HZ TRP 51 -9.582 -0.399 -1.644 369 HH2 TRP 51 2HH TRP 51 -11.659 -1.395 -0.824 370 H ASP 52 H ASP 52 -9.246 3.837 2.242 371 HA ASP 52 HA ASP 52 -9.854 4.239 5.091 372 HB2 ASP 52 1HB ASP 52 -9.840 6.293 3.782 373 HB3 ASP 52 2HB ASP 52 -10.984 5.602 2.636 374 H GLY 53 H GLY 53 -11.611 3.316 6.008 375 HA2 GLY 53 1HA GLY 53 -12.812 1.132 4.588 376 HA3 GLY 53 2HA GLY 53 -13.125 1.592 6.254 377 H GLU 54 H GLU 54 -13.655 4.403 4.865 378 HA GLU 54 HA GLU 54 -16.520 3.918 4.630 379 HB2 GLU 54 1HB GLU 54 -15.583 5.812 5.991 380 HB3 GLU 54 2HB GLU 54 -15.019 6.541 4.494 381 HG2 GLU 54 1HG GLU 54 -17.062 7.589 5.153 382 HG3 GLU 54 2HG GLU 54 -17.348 6.637 3.696 383 H LYS 55 H LYS 55 -13.909 5.423 2.763 384 HA LYS 55 HA LYS 55 -15.525 5.657 0.384 385 HB2 LYS 55 1HB LYS 55 -12.530 5.961 0.657 386 HB3 LYS 55 2HB LYS 55 -13.551 6.618 -0.615 387 HG2 LYS 55 1HG LYS 55 -13.689 7.420 2.286 388 HG3 LYS 55 2HG LYS 55 -12.829 8.308 1.026 389 HD2 LYS 55 1HD LYS 55 -15.742 7.659 0.748 390 HD3 LYS 55 2HD LYS 55 -15.209 9.068 1.667 391 HE2 LYS 55 1HE LYS 55 -14.419 8.513 -1.187 392 HE3 LYS 55 2HE LYS 55 -15.779 9.536 -0.721 393 HZ1 LYS 55 1HZ LYS 55 -14.245 10.978 0.459 394 HZ2 LYS 55 2HZ LYS 55 -13.790 10.842 -1.169 395 HZ3 LYS 55 3HZ LYS 55 -12.935 9.994 0.024 396 H GLU 56 H GLU 56 -13.591 3.249 1.821 397 HA GLU 56 HA GLU 56 -12.629 1.311 1.140 398 HB2 GLU 56 1HB GLU 56 -15.124 1.293 -0.554 399 HB3 GLU 56 2HB GLU 56 -14.071 -0.100 -0.332 400 HG2 GLU 56 1HG GLU 56 -14.465 0.320 2.190 401 HG3 GLU 56 2HG GLU 56 -15.852 1.251 1.636 402 H THR 57 H THR 57 -11.078 2.955 0.133 403 HA THR 57 HA THR 57 -10.133 1.764 -2.249 404 HB THR 57 HB THR 57 -11.907 3.246 -3.219 405 HG1 THR 57 1HG THR 57 -10.626 3.485 -4.885 406 HG21 THR 57 1HG2 THR 57 -10.180 5.453 -2.097 407 HG22 THR 57 2HG2 THR 57 -11.843 5.080 -1.639 408 HG23 THR 57 3HG2 THR 57 -11.486 5.680 -3.259 409 H TYR 58 H TYR 58 -8.118 3.024 -2.997 410 HA TYR 58 HA TYR 58 -6.680 3.860 -0.605 411 HB2 TYR 58 2HB TYR 58 -5.672 3.435 -3.420 412 HB3 TYR 58 1HB TYR 58 -4.673 3.741 -2.010 413 HD1 TYR 58 1HD TYR 58 -6.450 1.241 -3.923 414 HD2 TYR 58 2HD TYR 58 -4.542 2.023 -0.200 415 HE1 TYR 58 1HE TYR 58 -6.303 -1.179 -3.496 416 HE2 TYR 58 2HE TYR 58 -4.388 -0.390 0.236 417 HH TYR 58 HH TYR 58 -5.518 -2.461 -0.448 418 H VAL 59 H VAL 59 -7.155 5.881 -0.121 419 HA VAL 59 HA VAL 59 -7.433 7.879 -2.232 420 HB VAL 59 HB VAL 59 -8.200 9.346 -0.266 421 HG11 VAL 59 1HG1 VAL 59 -9.810 6.911 -1.040 422 HG12 VAL 59 2HG1 VAL 59 -9.719 8.427 -1.936 423 HG13 VAL 59 3HG1 VAL 59 -10.460 8.390 -0.336 424 HG21 VAL 59 1HG2 VAL 59 -9.077 8.131 1.672 425 HG22 VAL 59 2HG2 VAL 59 -7.326 7.960 1.539 426 HG23 VAL 59 3HG2 VAL 59 -8.381 6.636 1.048 427 HA PRO 60 HA PRO 60 -3.465 9.576 -1.621 428 HB2 PRO 60 2HB PRO 60 -3.995 12.238 -2.062 429 HB3 PRO 60 1HB PRO 60 -3.821 11.032 -3.340 430 HG2 PRO 60 2HG PRO 60 -6.307 12.143 -2.106 431 HG3 PRO 60 1HG PRO 60 -5.964 11.792 -3.810 432 HD2 PRO 60 2HD PRO 60 -7.452 10.145 -2.297 433 HD3 PRO 60 1HD PRO 60 -6.356 9.527 -3.552 434 H ALA 61 H ALA 61 -2.463 9.800 0.232 435 HA ALA 61 HA ALA 61 -3.695 10.736 2.606 436 HB1 ALA 61 1HB ALA 61 -1.888 9.114 2.670 437 HB2 ALA 61 2HB ALA 61 -1.450 10.552 3.595 438 HB3 ALA 61 3HB ALA 61 -0.775 10.297 1.986 439 H ALA 62 H ALA 62 -1.830 12.228 0.106 440 HA ALA 62 HA ALA 62 -2.017 14.812 1.498 441 HB1 ALA 62 1HB ALA 62 -0.315 15.612 -0.078 442 HB2 ALA 62 2HB ALA 62 -0.273 14.023 -0.841 443 HB3 ALA 62 3HB ALA 62 0.259 14.210 0.830 444 H GLU 63 H GLU 63 -3.394 16.308 0.717 445 HA GLU 63 HA GLU 63 -4.978 15.590 -1.624 446 HB2 GLU 63 1HB GLU 63 -6.365 17.586 -0.933 447 HB3 GLU 63 2HB GLU 63 -6.296 16.263 0.222 448 HG2 GLU 63 1HG GLU 63 -4.564 17.511 1.475 449 HG3 GLU 63 2HG GLU 63 -4.773 18.856 0.356 450 H SER 64 H SER 64 -2.168 16.609 -1.713 451 HA SER 64 HA SER 64 -2.500 19.059 -3.259 452 HB2 SER 64 1HB SER 64 0.069 17.619 -2.571 453 HB3 SER 64 2HB SER 64 -0.113 19.285 -3.126 454 HG SER 64 HG SER 64 -1.386 19.592 -1.124 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -20.203 -4.811 5.317 2 H2 GLY 1 2H GLY 1 -19.841 -6.422 5.698 3 H3 GLY 1 3H GLY 1 -21.412 -5.996 5.215 4 HA2 GLY 1 1HA GLY 1 -20.573 -5.369 3.020 5 HA3 GLY 1 2HA GLY 1 -18.971 -5.892 3.529 6 H ALA 2 H ALA 2 -22.276 -6.966 2.927 7 HA ALA 2 HA ALA 2 -21.228 -9.674 2.421 8 HB1 ALA 2 1HB ALA 2 -23.220 -10.640 3.451 9 HB2 ALA 2 2HB ALA 2 -23.791 -9.024 3.875 10 HB3 ALA 2 3HB ALA 2 -22.318 -9.661 4.609 11 H MET 3 H MET 3 -21.469 -8.001 0.362 12 HA MET 3 HA MET 3 -23.829 -9.023 -1.059 13 HB2 MET 3 1HB MET 3 -22.851 -6.164 -1.076 14 HB3 MET 3 2HB MET 3 -23.945 -6.817 -2.287 15 HG2 MET 3 1HG MET 3 -24.504 -6.696 0.667 16 HG3 MET 3 2HG MET 3 -25.096 -5.548 -0.532 17 HE1 MET 3 1HE MET 3 -27.061 -7.050 1.477 18 HE2 MET 3 2HE MET 3 -28.366 -7.445 0.356 19 HE3 MET 3 3HE MET 3 -27.551 -5.887 0.247 20 H GLY 4 H GLY 4 -21.013 -6.963 -1.721 21 HA2 GLY 4 1HA GLY 4 -19.670 -8.947 -3.263 22 HA3 GLY 4 2HA GLY 4 -20.480 -7.772 -4.294 23 H THR 5 H THR 5 -18.017 -8.238 -1.865 24 HA THR 5 HA THR 5 -17.178 -5.557 -1.661 25 HB THR 5 HB THR 5 -14.970 -6.779 -0.909 26 HG1 THR 5 1HG THR 5 -15.318 -8.926 -0.348 27 HG21 THR 5 1HG2 THR 5 -16.492 -5.608 0.599 28 HG22 THR 5 2HG2 THR 5 -15.960 -7.131 1.313 29 HG23 THR 5 3HG2 THR 5 -17.573 -7.003 0.609 30 H LYS 6 H LYS 6 -16.525 -4.433 -3.354 31 HA LYS 6 HA LYS 6 -15.046 -5.590 -5.533 32 HB2 LYS 6 1HB LYS 6 -15.487 -2.668 -4.870 33 HB3 LYS 6 2HB LYS 6 -14.940 -3.313 -6.409 34 HG2 LYS 6 1HG LYS 6 -17.648 -3.756 -5.169 35 HG3 LYS 6 2HG LYS 6 -17.278 -2.666 -6.504 36 HD2 LYS 6 1HD LYS 6 -16.533 -4.614 -7.836 37 HD3 LYS 6 2HD LYS 6 -17.011 -5.672 -6.508 38 HE2 LYS 6 1HE LYS 6 -19.314 -4.843 -6.703 39 HE3 LYS 6 2HE LYS 6 -18.825 -3.831 -8.060 40 HZ1 LYS 6 1HZ LYS 6 -18.164 -5.886 -9.237 41 HZ2 LYS 6 2HZ LYS 6 -19.823 -5.822 -8.886 42 HZ3 LYS 6 3HZ LYS 6 -18.799 -6.800 -7.951 43 H TYR 7 H TYR 7 -14.392 -3.379 -2.866 44 HA TYR 7 HA TYR 7 -11.590 -4.241 -2.891 45 HB2 TYR 7 2HB TYR 7 -12.511 -1.363 -2.626 46 HB3 TYR 7 1HB TYR 7 -10.856 -1.929 -2.425 47 HD1 TYR 7 1HD TYR 7 -13.457 -1.038 -4.786 48 HD2 TYR 7 2HD TYR 7 -9.591 -2.773 -4.394 49 HE1 TYR 7 1HE TYR 7 -13.096 -0.763 -7.197 50 HE2 TYR 7 2HE TYR 7 -9.220 -2.499 -6.809 51 HH TYR 7 HH TYR 7 -10.604 -2.303 -8.870 52 H ALA 8 H ALA 8 -11.368 -5.258 -1.026 53 HA ALA 8 HA ALA 8 -12.912 -4.358 1.300 54 HB1 ALA 8 1HB ALA 8 -11.454 -6.961 0.859 55 HB2 ALA 8 2HB ALA 8 -13.189 -6.701 0.663 56 HB3 ALA 8 3HB ALA 8 -12.448 -6.547 2.256 57 H VAL 9 H VAL 9 -11.646 -4.990 3.444 58 HA VAL 9 HA VAL 9 -9.514 -3.156 3.649 59 HB VAL 9 HB VAL 9 -9.169 -4.057 5.930 60 HG11 VAL 9 1HG1 VAL 9 -12.034 -3.530 5.158 61 HG12 VAL 9 2HG1 VAL 9 -10.815 -2.325 5.576 62 HG13 VAL 9 3HG1 VAL 9 -11.394 -3.455 6.800 63 HG21 VAL 9 1HG2 VAL 9 -11.325 -6.023 5.168 64 HG22 VAL 9 2HG2 VAL 9 -10.680 -5.784 6.791 65 HG23 VAL 9 3HG2 VAL 9 -9.637 -6.407 5.513 66 HA PRO 10 HA PRO 10 -6.211 -5.763 2.384 67 HB2 PRO 10 2HB PRO 10 -4.233 -3.986 2.672 68 HB3 PRO 10 1HB PRO 10 -5.479 -3.802 1.436 69 HG2 PRO 10 2HG PRO 10 -5.116 -2.343 3.988 70 HG3 PRO 10 1HG PRO 10 -5.851 -1.795 2.473 71 HD2 PRO 10 2HD PRO 10 -7.186 -2.720 4.798 72 HD3 PRO 10 1HD PRO 10 -7.911 -2.342 3.225 73 H ASP 11 H ASP 11 -5.120 -7.297 3.351 74 HA ASP 11 HA ASP 11 -4.189 -6.925 6.096 75 HB2 ASP 11 1HB ASP 11 -4.585 -9.345 4.350 76 HB3 ASP 11 2HB ASP 11 -3.527 -9.430 5.755 77 H THR 12 H THR 12 -2.064 -6.804 6.618 78 HA THR 12 HA THR 12 -0.275 -6.297 4.388 79 HB THR 12 HB THR 12 1.309 -5.571 6.218 80 HG1 THR 12 1HG THR 12 0.210 -5.217 8.288 81 HG21 THR 12 1HG2 THR 12 -1.418 -4.293 5.946 82 HG22 THR 12 2HG2 THR 12 0.048 -3.916 5.030 83 HG23 THR 12 3HG2 THR 12 -0.048 -3.516 6.747 84 H SER 13 H SER 13 -1.126 -8.906 6.234 85 HA SER 13 HA SER 13 1.450 -10.191 6.385 86 HB2 SER 13 1HB SER 13 -1.276 -11.458 6.713 87 HB3 SER 13 2HB SER 13 0.264 -12.026 7.365 88 HG SER 13 HG SER 13 -0.097 -10.824 9.041 89 H THR 14 H THR 14 -0.758 -9.608 3.958 90 HA THR 14 HA THR 14 -0.040 -12.028 2.460 91 HB THR 14 HB THR 14 -1.879 -11.253 0.884 92 HG1 THR 14 1HG THR 14 -2.015 -9.085 1.623 93 HG21 THR 14 1HG2 THR 14 -2.648 -11.873 3.739 94 HG22 THR 14 2HG2 THR 14 -2.214 -13.056 2.507 95 HG23 THR 14 3HG2 THR 14 -3.677 -12.090 2.323 96 H TYR 15 H TYR 15 1.520 -9.452 2.945 97 HA TYR 15 HA TYR 15 1.844 -8.566 0.171 98 HB2 TYR 15 2HB TYR 15 2.804 -7.376 2.774 99 HB3 TYR 15 1HB TYR 15 3.263 -6.754 1.195 100 HD1 TYR 15 1HD TYR 15 0.281 -7.521 0.194 101 HD2 TYR 15 2HD TYR 15 1.950 -5.101 3.263 102 HE1 TYR 15 1HE TYR 15 -1.732 -6.112 0.168 103 HE2 TYR 15 2HE TYR 15 -0.057 -3.682 3.244 104 HH TYR 15 HH TYR 15 -2.908 -4.574 1.500 105 H GLN 16 H GLN 16 4.169 -8.031 -0.403 106 HA GLN 16 HA GLN 16 5.959 -10.174 0.557 107 HB2 GLN 16 1HB GLN 16 5.976 -8.825 -2.156 108 HB3 GLN 16 2HB GLN 16 6.998 -10.159 -1.650 109 HG2 GLN 16 1HG GLN 16 5.093 -11.632 -1.546 110 HG3 GLN 16 2HG GLN 16 4.005 -10.292 -1.909 111 HE21 GLN 16 1HE2 GLN 16 4.148 -11.446 -5.207 112 HE22 GLN 16 2HE2 GLN 16 3.218 -11.328 -3.749 113 H TYR 17 H TYR 17 7.301 -9.176 1.989 114 HA TYR 17 HA TYR 17 7.970 -6.421 1.818 115 HB2 TYR 17 2HB TYR 17 8.066 -7.588 3.963 116 HB3 TYR 17 1HB TYR 17 9.344 -8.640 3.356 117 HD1 TYR 17 1HD TYR 17 8.544 -5.088 4.102 118 HD2 TYR 17 2HD TYR 17 11.602 -7.990 3.529 119 HE1 TYR 17 1HE TYR 17 10.227 -3.449 4.820 120 HE2 TYR 17 2HE TYR 17 13.295 -6.360 4.251 121 HH TYR 17 HH TYR 17 13.548 -3.899 4.357 122 H ASP 18 H ASP 18 9.240 -5.518 0.354 123 HA ASP 18 HA ASP 18 11.353 -7.123 -0.877 124 HB2 ASP 18 1HB ASP 18 9.952 -5.935 -2.463 125 HB3 ASP 18 2HB ASP 18 10.265 -4.408 -1.643 126 H GLU 19 H GLU 19 13.415 -6.815 -0.483 127 HA GLU 19 HA GLU 19 14.146 -5.036 1.675 128 HB2 GLU 19 1HB GLU 19 16.293 -6.200 1.569 129 HB3 GLU 19 2HB GLU 19 14.944 -7.316 1.612 130 HG2 GLU 19 1HG GLU 19 15.119 -7.593 -0.828 131 HG3 GLU 19 2HG GLU 19 16.557 -6.571 -0.797 132 H SER 20 H SER 20 14.333 -5.149 -1.743 133 HA SER 20 HA SER 20 16.559 -3.395 -2.057 134 HB2 SER 20 1HB SER 20 15.898 -5.003 -3.779 135 HB3 SER 20 2HB SER 20 14.349 -4.186 -3.968 136 HG SER 20 HG SER 20 16.869 -2.935 -4.402 137 H SER 21 H SER 21 13.123 -3.027 -1.667 138 HA SER 21 HA SER 21 13.360 -0.136 -2.121 139 HB2 SER 21 1HB SER 21 10.843 -1.800 -1.943 140 HB3 SER 21 2HB SER 21 10.988 -0.139 -2.496 141 HG SER 21 HG SER 21 11.896 -2.508 -3.749 142 H GLY 22 H GLY 22 12.478 -2.587 0.228 143 HA2 GLY 22 1HA GLY 22 12.691 -2.310 2.554 144 HA3 GLY 22 2HA GLY 22 12.698 -0.567 2.325 145 H TYR 23 H TYR 23 10.229 -2.024 0.577 146 HA TYR 23 HA TYR 23 8.283 -1.307 2.668 147 HB2 TYR 23 2HB TYR 23 7.996 -0.958 -0.324 148 HB3 TYR 23 1HB TYR 23 6.785 -0.538 0.878 149 HD1 TYR 23 1HD TYR 23 9.312 0.733 -1.153 150 HD2 TYR 23 2HD TYR 23 7.695 1.123 2.761 151 HE1 TYR 23 1HE TYR 23 10.263 2.997 -0.993 152 HE2 TYR 23 2HE TYR 23 8.640 3.385 2.933 153 HH TYR 23 HH TYR 23 10.432 4.715 1.945 154 H TYR 24 H TYR 24 6.151 -2.349 2.392 155 HA TYR 24 HA TYR 24 6.447 -5.145 1.634 156 HB2 TYR 24 2HB TYR 24 4.271 -3.593 3.026 157 HB3 TYR 24 1HB TYR 24 4.048 -5.263 2.518 158 HD1 TYR 24 1HD TYR 24 5.712 -3.038 4.890 159 HD2 TYR 24 2HD TYR 24 5.280 -7.063 3.589 160 HE1 TYR 24 1HE TYR 24 6.764 -3.815 6.972 161 HE2 TYR 24 2HE TYR 24 6.331 -7.858 5.660 162 HH TYR 24 HH TYR 24 6.873 -5.788 8.357 163 H TYR 25 H TYR 25 6.123 -5.699 -0.403 164 HA TYR 25 HA TYR 25 4.715 -4.017 -2.245 165 HB2 TYR 25 2HB TYR 25 6.644 -5.253 -3.005 166 HB3 TYR 25 1HB TYR 25 5.915 -6.778 -2.514 167 HD1 TYR 25 1HD TYR 25 4.794 -8.056 -4.095 168 HD2 TYR 25 2HD TYR 25 5.328 -3.889 -4.800 169 HE1 TYR 25 1HE TYR 25 3.875 -8.328 -6.356 170 HE2 TYR 25 2HE TYR 25 4.407 -4.151 -7.066 171 HH TYR 25 HH TYR 25 2.775 -6.945 -8.097 172 H ASP 26 H ASP 26 2.664 -4.065 -2.768 173 HA ASP 26 HA ASP 26 0.967 -6.296 -1.943 174 HB2 ASP 26 1HB ASP 26 0.112 -4.110 -1.326 175 HB3 ASP 26 2HB ASP 26 0.291 -3.532 -2.974 176 HA PRO 27 HA PRO 27 1.404 -7.515 -6.298 177 HB2 PRO 27 2HB PRO 27 0.409 -10.023 -5.837 178 HB3 PRO 27 1HB PRO 27 2.112 -9.586 -5.652 179 HG2 PRO 27 2HG PRO 27 -0.010 -9.875 -3.568 180 HG3 PRO 27 1HG PRO 27 1.699 -10.349 -3.513 181 HD2 PRO 27 2HD PRO 27 0.772 -8.104 -2.305 182 HD3 PRO 27 1HD PRO 27 2.404 -8.232 -2.986 183 H THR 28 H THR 28 -1.272 -7.308 -4.129 184 HA THR 28 HA THR 28 -3.329 -8.257 -5.813 185 HB THR 28 HB THR 28 -3.782 -6.095 -3.781 186 HG1 THR 28 1HG THR 28 -2.680 -7.307 -2.428 187 HG21 THR 28 1HG2 THR 28 -5.685 -6.999 -5.051 188 HG22 THR 28 2HG2 THR 28 -5.810 -7.375 -3.332 189 HG23 THR 28 3HG2 THR 28 -5.294 -8.619 -4.473 190 H THR 29 H THR 29 -2.422 -4.908 -4.963 191 HA THR 29 HA THR 29 -3.867 -3.976 -7.345 192 HB THR 29 HB THR 29 -2.729 -2.061 -5.368 193 HG1 THR 29 1HG THR 29 -3.603 -3.524 -3.942 194 HG21 THR 29 1HG2 THR 29 -5.405 -2.240 -6.766 195 HG22 THR 29 2HG2 THR 29 -4.026 -1.291 -7.320 196 HG23 THR 29 3HG2 THR 29 -4.825 -0.883 -5.802 197 H GLY 30 H GLY 30 -0.700 -3.977 -5.809 198 HA2 GLY 30 1HA GLY 30 1.262 -3.995 -7.246 199 HA3 GLY 30 2HA GLY 30 0.422 -2.887 -8.326 200 H LEU 31 H LEU 31 0.650 -2.767 -4.813 201 HA LEU 31 HA LEU 31 1.897 -0.103 -5.092 202 HB2 LEU 31 1HB LEU 31 -0.133 -0.999 -3.045 203 HB3 LEU 31 2HB LEU 31 0.636 0.576 -3.091 204 HG LEU 31 HG LEU 31 -1.260 -0.542 -5.159 205 HD11 LEU 31 1HD1 LEU 31 -1.567 1.687 -3.157 206 HD12 LEU 31 2HD1 LEU 31 -2.371 0.120 -3.103 207 HD13 LEU 31 3HD1 LEU 31 -2.738 1.253 -4.401 208 HD21 LEU 31 1HD2 LEU 31 0.108 2.142 -5.031 209 HD22 LEU 31 2HD2 LEU 31 -1.131 1.669 -6.197 210 HD23 LEU 31 3HD2 LEU 31 0.439 0.863 -6.198 211 H TYR 32 H TYR 32 2.747 0.592 -2.817 212 HA TYR 32 HA TYR 32 4.016 -1.715 -1.495 213 HB2 TYR 32 2HB TYR 32 5.203 0.906 -2.363 214 HB3 TYR 32 1HB TYR 32 5.890 0.041 -0.996 215 HD1 TYR 32 1HD TYR 32 5.544 0.162 -4.612 216 HD2 TYR 32 2HD TYR 32 6.924 -2.182 -1.339 217 HE1 TYR 32 1HE TYR 32 6.867 -1.217 -6.162 218 HE2 TYR 32 2HE TYR 32 8.249 -3.564 -2.877 219 HH TYR 32 HH TYR 32 8.899 -2.691 -6.057 220 H TYR 33 H TYR 33 3.488 -1.840 0.606 221 HA TYR 33 HA TYR 33 2.302 0.479 1.911 222 HB2 TYR 33 2HB TYR 33 1.138 -1.619 2.236 223 HB3 TYR 33 1HB TYR 33 2.612 -2.403 2.791 224 HD1 TYR 33 1HD TYR 33 3.268 -2.298 5.063 225 HD2 TYR 33 2HD TYR 33 0.085 0.157 3.671 226 HE1 TYR 33 1HE TYR 33 2.709 -1.718 7.384 227 HE2 TYR 33 2HE TYR 33 -0.483 0.746 5.991 228 HH TYR 33 HH TYR 33 -0.188 -0.251 8.269 229 H ASP 34 H ASP 34 3.466 1.808 3.121 230 HA ASP 34 HA ASP 34 6.160 1.025 3.913 231 HB2 ASP 34 1HB ASP 34 5.821 3.288 2.959 232 HB3 ASP 34 2HB ASP 34 4.724 3.666 4.277 233 HA PRO 35 HA PRO 35 4.521 -0.133 7.935 234 HB2 PRO 35 2HB PRO 35 6.983 -0.848 8.927 235 HB3 PRO 35 1HB PRO 35 5.930 -1.924 8.001 236 HG2 PRO 35 2HG PRO 35 8.328 -0.393 7.120 237 HG3 PRO 35 1HG PRO 35 7.764 -1.993 6.610 238 HD2 PRO 35 2HD PRO 35 7.448 0.262 5.117 239 HD3 PRO 35 1HD PRO 35 6.344 -1.123 5.042 240 H ASN 36 H ASN 36 6.766 2.286 7.039 241 HA ASN 36 HA ASN 36 7.231 3.189 9.757 242 HB2 ASN 36 1HB ASN 36 8.893 3.305 7.763 243 HB3 ASN 36 2HB ASN 36 7.980 4.733 7.290 244 HD21 ASN 36 1HD2 ASN 36 9.678 4.995 10.983 245 HD22 ASN 36 2HD2 ASN 36 8.717 3.622 10.545 246 H SER 37 H SER 37 5.713 4.534 6.814 247 HA SER 37 HA SER 37 4.495 6.656 8.377 248 HB2 SER 37 1HB SER 37 3.655 7.408 6.124 249 HB3 SER 37 2HB SER 37 5.409 7.298 6.249 250 HG SER 37 HG SER 37 5.406 5.516 5.011 251 H GLN 38 H GLN 38 3.635 3.571 7.193 252 HA GLN 38 HA GLN 38 1.757 2.321 7.260 253 HB2 GLN 38 1HB GLN 38 0.624 4.606 8.880 254 HB3 GLN 38 2HB GLN 38 -0.173 3.057 8.641 255 HG2 GLN 38 1HG GLN 38 1.621 1.916 9.787 256 HG3 GLN 38 2HG GLN 38 2.510 3.429 9.952 257 HE21 GLN 38 1HE2 GLN 38 -0.980 3.458 12.042 258 HE22 GLN 38 2HE2 GLN 38 -0.966 3.102 10.348 259 H TYR 39 H TYR 39 2.316 4.347 5.200 260 HA TYR 39 HA TYR 39 -0.404 4.596 4.093 261 HB2 TYR 39 2HB TYR 39 2.058 6.275 3.608 262 HB3 TYR 39 1HB TYR 39 0.645 6.334 2.565 263 HD1 TYR 39 1HD TYR 39 -1.623 6.791 3.773 264 HD2 TYR 39 2HD TYR 39 2.184 7.737 5.411 265 HE1 TYR 39 1HE TYR 39 -2.678 8.436 5.253 266 HE2 TYR 39 2HE TYR 39 1.139 9.392 6.898 267 HH TYR 39 HH TYR 39 -2.287 9.610 7.286 268 H TYR 40 H TYR 40 -0.461 4.451 1.692 269 HA TYR 40 HA TYR 40 1.243 2.254 0.791 270 HB2 TYR 40 2HB TYR 40 -1.413 3.305 -0.179 271 HB3 TYR 40 1HB TYR 40 -0.463 2.142 -1.102 272 HD1 TYR 40 1HD TYR 40 -2.324 2.673 2.034 273 HD2 TYR 40 2HD TYR 40 -0.355 -0.150 -0.465 274 HE1 TYR 40 1HE TYR 40 -3.272 0.835 3.367 275 HE2 TYR 40 2HE TYR 40 -1.295 -1.989 0.860 276 HH TYR 40 HH TYR 40 -2.315 -2.506 2.816 277 H TYR 41 H TYR 41 2.427 2.359 -1.037 278 HA TYR 41 HA TYR 41 2.867 5.047 -2.138 279 HB2 TYR 41 2HB TYR 41 4.733 4.269 -0.755 280 HB3 TYR 41 1HB TYR 41 4.814 2.772 -1.672 281 HD1 TYR 41 1HD TYR 41 6.397 2.601 -3.318 282 HD2 TYR 41 2HD TYR 41 4.980 6.463 -2.237 283 HE1 TYR 41 1HE TYR 41 8.018 3.614 -4.853 284 HE2 TYR 41 2HE TYR 41 6.595 7.495 -3.772 285 HH TYR 41 HH TYR 41 8.777 6.913 -4.810 286 H ASN 42 H ASN 42 2.235 5.196 -4.175 287 HA ASN 42 HA ASN 42 1.853 2.850 -5.817 288 HB2 ASN 42 1HB ASN 42 0.407 4.958 -5.907 289 HB3 ASN 42 2HB ASN 42 1.756 5.734 -6.721 290 HD21 ASN 42 1HD2 ASN 42 -0.794 4.179 -9.066 291 HD22 ASN 42 2HD2 ASN 42 -0.988 5.072 -7.601 292 H SER 43 H SER 43 3.516 1.892 -6.822 293 HA SER 43 HA SER 43 6.069 3.184 -6.885 294 HB2 SER 43 1HB SER 43 5.593 0.676 -6.537 295 HB3 SER 43 2HB SER 43 5.434 0.598 -8.292 296 HG SER 43 HG SER 43 7.535 0.352 -8.205 297 H LEU 44 H LEU 44 3.428 3.159 -9.007 298 HA LEU 44 HA LEU 44 5.024 3.518 -11.403 299 HB2 LEU 44 1HB LEU 44 2.904 2.297 -11.521 300 HB3 LEU 44 2HB LEU 44 2.046 3.719 -10.956 301 HG LEU 44 HG LEU 44 2.766 4.914 -13.018 302 HD11 LEU 44 1HD1 LEU 44 4.766 3.580 -13.495 303 HD12 LEU 44 2HD1 LEU 44 3.670 3.634 -14.877 304 HD13 LEU 44 3HD1 LEU 44 3.743 2.191 -13.869 305 HD21 LEU 44 1HD2 LEU 44 1.246 2.350 -13.465 306 HD22 LEU 44 2HD2 LEU 44 1.207 3.771 -14.507 307 HD23 LEU 44 3HD2 LEU 44 0.568 3.864 -12.865 308 H THR 45 H THR 45 2.776 5.460 -9.447 309 HA THR 45 HA THR 45 3.529 7.841 -10.956 310 HB THR 45 HB THR 45 1.655 8.913 -9.644 311 HG1 THR 45 1HG THR 45 0.306 7.575 -8.473 312 HG21 THR 45 1HG2 THR 45 0.961 6.474 -11.286 313 HG22 THR 45 2HG2 THR 45 1.305 8.082 -11.919 314 HG23 THR 45 3HG2 THR 45 -0.127 7.814 -10.928 315 H GLN 46 H GLN 46 4.265 6.276 -8.074 316 HA GLN 46 HA GLN 46 5.636 6.745 -6.349 317 HB2 GLN 46 1HB GLN 46 6.335 9.189 -7.981 318 HB3 GLN 46 2HB GLN 46 7.227 8.617 -6.575 319 HG2 GLN 46 1HG GLN 46 7.794 6.570 -7.712 320 HG3 GLN 46 2HG GLN 46 6.795 7.026 -9.091 321 HE21 GLN 46 1HE2 GLN 46 9.803 8.049 -10.521 322 HE22 GLN 46 2HE2 GLN 46 8.570 6.836 -10.458 323 H GLN 47 H GLN 47 2.926 7.517 -6.248 324 HA GLN 47 HA GLN 47 2.995 9.902 -4.529 325 HB2 GLN 47 1HB GLN 47 0.626 10.105 -4.896 326 HB3 GLN 47 2HB GLN 47 1.391 9.887 -6.461 327 HG2 GLN 47 1HG GLN 47 0.788 7.493 -6.379 328 HG3 GLN 47 2HG GLN 47 -0.059 7.792 -4.862 329 HE21 GLN 47 1HE2 GLN 47 -2.858 9.266 -6.342 330 HE22 GLN 47 2HE2 GLN 47 -1.947 9.033 -4.886 331 H TYR 48 H TYR 48 1.222 9.725 -2.762 332 HA TYR 48 HA TYR 48 1.466 7.089 -1.490 333 HB2 TYR 48 2HB TYR 48 1.637 9.851 -0.350 334 HB3 TYR 48 1HB TYR 48 1.065 8.526 0.661 335 HD1 TYR 48 1HD TYR 48 2.568 7.032 1.646 336 HD2 TYR 48 2HD TYR 48 3.936 9.638 -1.427 337 HE1 TYR 48 1HE TYR 48 4.883 6.355 2.115 338 HE2 TYR 48 2HE TYR 48 6.260 8.971 -0.960 339 HH TYR 48 HH TYR 48 7.062 6.286 0.910 340 H LEU 49 H LEU 49 -0.277 6.259 -0.411 341 HA LEU 49 HA LEU 49 -2.868 7.611 -0.718 342 HB2 LEU 49 1HB LEU 49 -2.274 4.763 -1.559 343 HB3 LEU 49 2HB LEU 49 -3.859 5.505 -1.536 344 HG LEU 49 HG LEU 49 -1.702 6.739 -3.196 345 HD11 LEU 49 1HD1 LEU 49 -3.433 4.433 -4.066 346 HD12 LEU 49 2HD1 LEU 49 -1.691 4.365 -3.798 347 HD13 LEU 49 3HD1 LEU 49 -2.345 5.370 -5.093 348 HD21 LEU 49 1HD2 LEU 49 -3.802 7.923 -2.849 349 HD22 LEU 49 2HD2 LEU 49 -4.693 6.529 -3.464 350 HD23 LEU 49 3HD2 LEU 49 -3.615 7.430 -4.534 351 H TYR 50 H TYR 50 -4.570 6.377 0.562 352 HA TYR 50 HA TYR 50 -3.503 4.502 2.500 353 HB2 TYR 50 2HB TYR 50 -4.322 5.634 4.451 354 HB3 TYR 50 1HB TYR 50 -3.271 6.742 3.586 355 HD1 TYR 50 1HD TYR 50 -4.312 8.626 2.268 356 HD2 TYR 50 2HD TYR 50 -6.572 6.157 4.901 357 HE1 TYR 50 1HE TYR 50 -6.080 10.338 2.353 358 HE2 TYR 50 2HE TYR 50 -8.347 7.850 4.981 359 HH TYR 50 HH TYR 50 -8.448 10.517 2.835 360 H TRP 51 H TRP 51 -5.047 3.127 3.356 361 HA TRP 51 HA TRP 51 -7.391 2.888 1.684 362 HB2 TRP 51 2HB TRP 51 -6.193 0.850 2.182 363 HB3 TRP 51 1HB TRP 51 -6.331 1.146 3.916 364 HD1 TRP 51 1HD TRP 51 -8.403 0.126 5.105 365 HE1 TRP 51 1HE TRP 51 -10.566 -1.017 4.321 366 HE3 TRP 51 3HE TRP 51 -7.966 0.898 0.071 367 HZ2 TRP 51 2HZ TRP 51 -11.911 -1.525 1.906 368 HZ3 TRP 51 3HZ TRP 51 -9.735 0.051 -1.407 369 HH2 TRP 51 2HH TRP 51 -11.670 -1.135 -0.507 370 H ASP 52 H ASP 52 -9.144 3.998 2.138 371 HA ASP 52 HA ASP 52 -9.844 4.463 4.940 372 HB2 ASP 52 1HB ASP 52 -9.900 6.412 3.406 373 HB3 ASP 52 2HB ASP 52 -11.124 5.599 2.436 374 H GLY 53 H GLY 53 -11.292 3.232 5.916 375 HA2 GLY 53 1HA GLY 53 -12.330 0.963 4.487 376 HA3 GLY 53 2HA GLY 53 -12.502 1.286 6.203 377 H GLU 54 H GLU 54 -13.594 4.043 5.276 378 HA GLU 54 HA GLU 54 -16.350 3.131 5.272 379 HB2 GLU 54 1HB GLU 54 -15.644 4.961 6.779 380 HB3 GLU 54 2HB GLU 54 -15.230 5.939 5.379 381 HG2 GLU 54 1HG GLU 54 -17.550 5.949 4.674 382 HG3 GLU 54 2HG GLU 54 -17.983 4.917 6.035 383 H LYS 55 H LYS 55 -14.109 4.931 3.231 384 HA LYS 55 HA LYS 55 -16.148 5.275 1.186 385 HB2 LYS 55 1HB LYS 55 -13.236 6.071 1.097 386 HB3 LYS 55 2HB LYS 55 -14.503 6.595 -0.006 387 HG2 LYS 55 1HG LYS 55 -14.267 7.259 2.924 388 HG3 LYS 55 2HG LYS 55 -14.033 8.355 1.562 389 HD2 LYS 55 1HD LYS 55 -16.631 6.945 2.175 390 HD3 LYS 55 2HD LYS 55 -16.242 8.581 2.708 391 HE2 LYS 55 1HE LYS 55 -16.219 7.717 -0.173 392 HE3 LYS 55 2HE LYS 55 -17.624 8.427 0.618 393 HZ1 LYS 55 1HZ LYS 55 -16.348 10.420 1.052 394 HZ2 LYS 55 2HZ LYS 55 -16.321 10.068 -0.608 395 HZ3 LYS 55 3HZ LYS 55 -14.966 9.736 0.351 396 H GLU 56 H GLU 56 -13.834 2.981 2.002 397 HA GLU 56 HA GLU 56 -13.251 0.988 1.099 398 HB2 GLU 56 1HB GLU 56 -15.580 1.615 -0.716 399 HB3 GLU 56 2HB GLU 56 -14.729 0.078 -0.717 400 HG2 GLU 56 1HG GLU 56 -15.430 -0.416 1.486 401 HG3 GLU 56 2HG GLU 56 -16.039 1.220 1.731 402 H THR 57 H THR 57 -11.697 3.141 0.278 403 HA THR 57 HA THR 57 -10.736 2.203 -2.277 404 HB THR 57 HB THR 57 -12.487 3.770 -2.984 405 HG1 THR 57 1HG THR 57 -10.076 3.755 -3.844 406 HG21 THR 57 1HG2 THR 57 -12.574 5.203 -1.030 407 HG22 THR 57 2HG2 THR 57 -12.289 6.171 -2.479 408 HG23 THR 57 3HG2 THR 57 -10.956 5.814 -1.378 409 H TYR 58 H TYR 58 -8.623 2.912 -2.762 410 HA TYR 58 HA TYR 58 -7.093 3.935 -0.519 411 HB2 TYR 58 2HB TYR 58 -6.109 3.356 -3.327 412 HB3 TYR 58 1HB TYR 58 -5.131 3.564 -1.883 413 HD1 TYR 58 1HD TYR 58 -7.295 1.273 -3.737 414 HD2 TYR 58 2HD TYR 58 -4.948 1.797 -0.224 415 HE1 TYR 58 1HE TYR 58 -7.363 -1.151 -3.338 416 HE2 TYR 58 2HE TYR 58 -5.010 -0.629 0.183 417 HH TYR 58 HH TYR 58 -6.407 -2.558 -0.397 418 H VAL 59 H VAL 59 -7.179 6.028 -0.155 419 HA VAL 59 HA VAL 59 -7.680 7.836 -2.409 420 HB VAL 59 HB VAL 59 -8.176 9.437 -0.340 421 HG11 VAL 59 1HG1 VAL 59 -9.759 8.856 -2.102 422 HG12 VAL 59 2HG1 VAL 59 -10.536 8.820 -0.521 423 HG13 VAL 59 3HG1 VAL 59 -10.081 7.312 -1.314 424 HG21 VAL 59 1HG2 VAL 59 -8.764 6.692 0.759 425 HG22 VAL 59 2HG2 VAL 59 -9.245 8.222 1.492 426 HG23 VAL 59 3HG2 VAL 59 -7.537 7.805 1.363 427 HA PRO 60 HA PRO 60 -3.601 9.343 -2.370 428 HB2 PRO 60 2HB PRO 60 -4.789 11.989 -2.993 429 HB3 PRO 60 1HB PRO 60 -3.598 11.044 -3.892 430 HG2 PRO 60 2HG PRO 60 -6.121 11.232 -4.736 431 HG3 PRO 60 1HG PRO 60 -5.208 9.720 -4.897 432 HD2 PRO 60 2HD PRO 60 -7.320 10.461 -2.916 433 HD3 PRO 60 1HD PRO 60 -7.023 8.908 -3.724 434 H ALA 61 H ALA 61 -2.434 9.750 -0.687 435 HA ALA 61 HA ALA 61 -3.433 11.322 1.527 436 HB1 ALA 61 1HB ALA 61 -1.379 10.642 2.663 437 HB2 ALA 61 2HB ALA 61 -0.780 9.920 1.169 438 HB3 ALA 61 3HB ALA 61 -2.205 9.251 1.966 439 H ALA 62 H ALA 62 -3.529 13.180 -0.069 440 HA ALA 62 HA ALA 62 -1.054 14.741 0.198 441 HB1 ALA 62 1HB ALA 62 -1.413 15.721 -2.019 442 HB2 ALA 62 2HB ALA 62 -2.795 14.653 -2.265 443 HB3 ALA 62 3HB ALA 62 -1.172 13.976 -2.117 444 H GLU 63 H GLU 63 -4.340 15.223 -1.064 445 HA GLU 63 HA GLU 63 -4.582 17.685 0.474 446 HB2 GLU 63 1HB GLU 63 -6.507 16.402 -1.480 447 HB3 GLU 63 2HB GLU 63 -6.659 18.012 -0.792 448 HG2 GLU 63 1HG GLU 63 -4.398 17.110 -2.558 449 HG3 GLU 63 2HG GLU 63 -5.815 18.006 -3.107 450 H SER 64 H SER 64 -4.377 15.785 2.242 451 HA SER 64 HA SER 64 -6.956 14.641 2.917 452 HB2 SER 64 1HB SER 64 -4.313 14.424 4.381 453 HB3 SER 64 2HB SER 64 -5.746 13.429 4.642 454 HG SER 64 HG SER 64 -4.418 12.261 3.326 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -18.918 -12.107 -2.999 2 H2 GLY 1 2H GLY 1 -18.245 -11.376 -4.369 3 H3 GLY 1 3H GLY 1 -19.759 -12.128 -4.471 4 HA2 GLY 1 1HA GLY 1 -19.110 -9.690 -2.904 5 HA3 GLY 1 2HA GLY 1 -20.028 -9.739 -4.401 6 H ALA 2 H ALA 2 -21.568 -8.581 -2.920 7 HA ALA 2 HA ALA 2 -23.493 -10.528 -1.943 8 HB1 ALA 2 1HB ALA 2 -23.796 -9.443 0.215 9 HB2 ALA 2 2HB ALA 2 -22.492 -8.314 -0.152 10 HB3 ALA 2 3HB ALA 2 -22.142 -10.031 0.043 11 H MET 3 H MET 3 -23.231 -7.047 -1.328 12 HA MET 3 HA MET 3 -25.470 -6.620 -3.192 13 HB2 MET 3 1HB MET 3 -26.445 -4.997 -1.637 14 HB3 MET 3 2HB MET 3 -26.338 -6.590 -0.904 15 HG2 MET 3 1HG MET 3 -24.367 -5.911 0.336 16 HG3 MET 3 2HG MET 3 -24.414 -4.327 -0.434 17 HE1 MET 3 1HE MET 3 -27.461 -6.468 0.789 18 HE2 MET 3 2HE MET 3 -27.707 -5.850 2.422 19 HE3 MET 3 3HE MET 3 -26.260 -6.784 2.042 20 H GLY 4 H GLY 4 -22.337 -5.870 -2.429 21 HA2 GLY 4 1HA GLY 4 -21.807 -4.059 -4.361 22 HA3 GLY 4 2HA GLY 4 -22.404 -3.051 -3.050 23 H THR 5 H THR 5 -20.246 -5.868 -3.304 24 HA THR 5 HA THR 5 -18.287 -4.367 -1.695 25 HB THR 5 HB THR 5 -18.478 -7.364 -1.771 26 HG1 THR 5 1HG THR 5 -19.473 -5.916 0.421 27 HG21 THR 5 1HG2 THR 5 -17.253 -5.445 0.204 28 HG22 THR 5 2HG2 THR 5 -16.376 -6.426 -0.971 29 HG23 THR 5 3HG2 THR 5 -17.257 -7.202 0.346 30 H LYS 6 H LYS 6 -16.520 -3.884 -2.777 31 HA LYS 6 HA LYS 6 -15.692 -5.625 -5.009 32 HB2 LYS 6 1HB LYS 6 -15.346 -2.628 -4.730 33 HB3 LYS 6 2HB LYS 6 -14.660 -3.600 -6.025 34 HG2 LYS 6 1HG LYS 6 -17.597 -3.211 -5.470 35 HG3 LYS 6 2HG LYS 6 -16.661 -2.441 -6.753 36 HD2 LYS 6 1HD LYS 6 -17.071 -5.415 -6.448 37 HD3 LYS 6 2HD LYS 6 -17.976 -4.378 -7.552 38 HE2 LYS 6 1HE LYS 6 -15.947 -3.834 -8.755 39 HE3 LYS 6 2HE LYS 6 -14.983 -4.761 -7.603 40 HZ1 LYS 6 1HZ LYS 6 -15.417 -5.998 -9.654 41 HZ2 LYS 6 2HZ LYS 6 -17.090 -5.900 -9.370 42 HZ3 LYS 6 3HZ LYS 6 -16.096 -6.771 -8.304 43 H TYR 7 H TYR 7 -14.327 -3.071 -2.956 44 HA TYR 7 HA TYR 7 -12.003 -4.812 -2.495 45 HB2 TYR 7 2HB TYR 7 -12.244 -1.826 -2.713 46 HB3 TYR 7 1HB TYR 7 -10.906 -2.552 -1.829 47 HD1 TYR 7 1HD TYR 7 -12.611 -2.764 -5.146 48 HD2 TYR 7 2HD TYR 7 -8.961 -3.051 -2.976 49 HE1 TYR 7 1HE TYR 7 -11.385 -3.062 -7.256 50 HE2 TYR 7 2HE TYR 7 -7.725 -3.350 -5.079 51 HH TYR 7 HH TYR 7 -8.142 -4.097 -7.373 52 H ALA 8 H ALA 8 -11.534 -5.397 -0.489 53 HA ALA 8 HA ALA 8 -13.037 -4.131 1.699 54 HB1 ALA 8 1HB ALA 8 -13.570 -6.513 1.363 55 HB2 ALA 8 2HB ALA 8 -12.812 -6.215 2.928 56 HB3 ALA 8 3HB ALA 8 -11.870 -6.916 1.611 57 H VAL 9 H VAL 9 -11.742 -4.524 3.871 58 HA VAL 9 HA VAL 9 -9.455 -2.960 3.826 59 HB VAL 9 HB VAL 9 -8.968 -3.857 6.106 60 HG11 VAL 9 1HG1 VAL 9 -11.023 -2.997 7.136 61 HG12 VAL 9 2HG1 VAL 9 -11.832 -3.075 5.570 62 HG13 VAL 9 3HG1 VAL 9 -10.476 -1.973 5.809 63 HG21 VAL 9 1HG2 VAL 9 -10.582 -5.401 7.127 64 HG22 VAL 9 2HG2 VAL 9 -9.707 -6.154 5.792 65 HG23 VAL 9 3HG2 VAL 9 -11.367 -5.604 5.559 66 HA PRO 10 HA PRO 10 -6.476 -5.914 2.364 67 HB2 PRO 10 2HB PRO 10 -4.417 -4.204 2.107 68 HB3 PRO 10 1HB PRO 10 -5.787 -4.209 0.992 69 HG2 PRO 10 2HG PRO 10 -5.110 -2.294 3.144 70 HG3 PRO 10 1HG PRO 10 -6.022 -2.034 1.649 71 HD2 PRO 10 2HD PRO 10 -7.069 -2.419 4.255 72 HD3 PRO 10 1HD PRO 10 -7.978 -2.346 2.735 73 H ASP 11 H ASP 11 -5.266 -7.297 3.399 74 HA ASP 11 HA ASP 11 -4.216 -6.618 6.038 75 HB2 ASP 11 1HB ASP 11 -5.567 -8.726 5.650 76 HB3 ASP 11 2HB ASP 11 -4.226 -9.324 4.685 77 H THR 12 H THR 12 -2.117 -6.314 6.399 78 HA THR 12 HA THR 12 -0.359 -6.215 4.119 79 HB THR 12 HB THR 12 1.264 -5.269 5.766 80 HG1 THR 12 1HG THR 12 0.781 -5.220 7.862 81 HG21 THR 12 1HG2 THR 12 -1.508 -4.092 5.548 82 HG22 THR 12 2HG2 THR 12 -0.093 -3.736 4.549 83 HG23 THR 12 3HG2 THR 12 -0.138 -3.214 6.233 84 H SER 13 H SER 13 -1.229 -8.616 6.227 85 HA SER 13 HA SER 13 1.276 -9.876 6.715 86 HB2 SER 13 1HB SER 13 -1.445 -11.199 6.581 87 HB3 SER 13 2HB SER 13 -0.023 -11.763 7.460 88 HG SER 13 HG SER 13 -1.717 -9.560 8.014 89 H THR 14 H THR 14 -0.877 -9.806 3.985 90 HA THR 14 HA THR 14 0.355 -12.184 2.819 91 HB THR 14 HB THR 14 -2.094 -11.990 2.675 92 HG1 THR 14 1HG THR 14 -0.657 -11.855 0.216 93 HG21 THR 14 1HG2 THR 14 -1.558 -9.589 0.924 94 HG22 THR 14 2HG2 THR 14 -2.285 -9.555 2.530 95 HG23 THR 14 3HG2 THR 14 -3.129 -10.340 1.195 96 H TYR 15 H TYR 15 1.476 -9.263 3.091 97 HA TYR 15 HA TYR 15 1.992 -8.646 0.306 98 HB2 TYR 15 2HB TYR 15 2.879 -7.316 2.868 99 HB3 TYR 15 1HB TYR 15 3.371 -6.768 1.270 100 HD1 TYR 15 1HD TYR 15 0.258 -7.829 0.546 101 HD2 TYR 15 2HD TYR 15 2.138 -4.831 2.904 102 HE1 TYR 15 1HE TYR 15 -1.777 -6.457 0.410 103 HE2 TYR 15 2HE TYR 15 0.112 -3.451 2.775 104 HH TYR 15 HH TYR 15 -2.853 -4.665 1.354 105 H GLN 16 H GLN 16 4.263 -8.166 -0.337 106 HA GLN 16 HA GLN 16 6.083 -10.230 0.716 107 HB2 GLN 16 1HB GLN 16 5.933 -9.049 -2.067 108 HB3 GLN 16 2HB GLN 16 7.114 -10.236 -1.532 109 HG2 GLN 16 1HG GLN 16 5.363 -11.861 -1.161 110 HG3 GLN 16 2HG GLN 16 4.141 -10.675 -1.611 111 HE21 GLN 16 1HE2 GLN 16 4.590 -11.019 -5.051 112 HE22 GLN 16 2HE2 GLN 16 3.910 -10.093 -3.756 113 H TYR 17 H TYR 17 7.616 -9.318 1.939 114 HA TYR 17 HA TYR 17 8.151 -6.526 1.870 115 HB2 TYR 17 2HB TYR 17 8.378 -7.916 3.917 116 HB3 TYR 17 1HB TYR 17 9.768 -8.716 3.192 117 HD1 TYR 17 1HD TYR 17 11.918 -7.807 3.447 118 HD2 TYR 17 2HD TYR 17 8.523 -5.376 4.259 119 HE1 TYR 17 1HE TYR 17 13.392 -6.054 4.350 120 HE2 TYR 17 2HE TYR 17 9.986 -3.622 5.158 121 HH TYR 17 HH TYR 17 13.296 -3.539 4.686 122 H ASP 18 H ASP 18 9.355 -5.477 0.462 123 HA ASP 18 HA ASP 18 11.439 -6.935 -1.003 124 HB2 ASP 18 1HB ASP 18 9.738 -5.529 -2.262 125 HB3 ASP 18 2HB ASP 18 10.462 -4.111 -1.509 126 H GLU 19 H GLU 19 13.485 -6.716 -0.384 127 HA GLU 19 HA GLU 19 14.072 -4.944 1.828 128 HB2 GLU 19 1HB GLU 19 16.149 -6.162 1.994 129 HB3 GLU 19 2HB GLU 19 14.812 -7.277 1.786 130 HG2 GLU 19 1HG GLU 19 15.365 -7.502 -0.588 131 HG3 GLU 19 2HG GLU 19 16.746 -6.431 -0.347 132 H SER 20 H SER 20 14.425 -4.913 -1.543 133 HA SER 20 HA SER 20 16.699 -3.113 -1.536 134 HB2 SER 20 1HB SER 20 16.430 -4.861 -3.287 135 HB3 SER 20 2HB SER 20 14.959 -4.056 -3.833 136 HG SER 20 HG SER 20 17.016 -3.553 -4.968 137 H SER 21 H SER 21 13.260 -3.063 -1.611 138 HA SER 21 HA SER 21 13.242 -0.200 -2.276 139 HB2 SER 21 1HB SER 21 11.688 -1.643 -3.543 140 HB3 SER 21 2HB SER 21 10.937 -2.159 -2.035 141 HG SER 21 HG SER 21 11.028 0.534 -2.957 142 H GLY 22 H GLY 22 12.575 -2.490 0.291 143 HA2 GLY 22 1HA GLY 22 12.678 -2.027 2.578 144 HA3 GLY 22 2HA GLY 22 12.598 -0.310 2.215 145 H TYR 23 H TYR 23 10.241 -2.052 0.549 146 HA TYR 23 HA TYR 23 8.227 -1.294 2.560 147 HB2 TYR 23 2HB TYR 23 8.004 -1.003 -0.446 148 HB3 TYR 23 1HB TYR 23 6.747 -0.609 0.721 149 HD1 TYR 23 1HD TYR 23 7.474 1.140 2.566 150 HD2 TYR 23 2HD TYR 23 9.368 0.685 -1.211 151 HE1 TYR 23 1HE TYR 23 8.372 3.419 2.749 152 HE2 TYR 23 2HE TYR 23 10.274 2.963 -1.040 153 HH TYR 23 HH TYR 23 10.099 4.796 1.898 154 H TYR 24 H TYR 24 6.193 -2.442 2.401 155 HA TYR 24 HA TYR 24 6.531 -5.220 1.600 156 HB2 TYR 24 2HB TYR 24 4.351 -3.736 3.067 157 HB3 TYR 24 1HB TYR 24 4.160 -5.408 2.546 158 HD1 TYR 24 1HD TYR 24 5.939 -3.157 4.836 159 HD2 TYR 24 2HD TYR 24 5.338 -7.194 3.639 160 HE1 TYR 24 1HE TYR 24 7.048 -3.926 6.891 161 HE2 TYR 24 2HE TYR 24 6.444 -7.975 5.688 162 HH TYR 24 HH TYR 24 7.163 -5.865 8.306 163 H TYR 25 H TYR 25 6.170 -5.743 -0.445 164 HA TYR 25 HA TYR 25 4.688 -4.050 -2.210 165 HB2 TYR 25 2HB TYR 25 6.625 -5.233 -3.044 166 HB3 TYR 25 1HB TYR 25 5.915 -6.785 -2.609 167 HD1 TYR 25 1HD TYR 25 5.411 -3.831 -4.824 168 HD2 TYR 25 2HD TYR 25 4.599 -7.955 -4.147 169 HE1 TYR 25 1HE TYR 25 4.401 -3.995 -7.059 170 HE2 TYR 25 2HE TYR 25 3.586 -8.130 -6.380 171 HH TYR 25 HH TYR 25 3.927 -5.701 -8.747 172 H ASP 26 H ASP 26 2.612 -4.052 -2.548 173 HA ASP 26 HA ASP 26 0.957 -6.341 -1.808 174 HB2 ASP 26 1HB ASP 26 0.076 -4.225 -1.075 175 HB3 ASP 26 2HB ASP 26 0.274 -3.526 -2.672 176 HA PRO 27 HA PRO 27 0.975 -7.359 -6.171 177 HB2 PRO 27 2HB PRO 27 -0.110 -9.905 -5.574 178 HB3 PRO 27 1HB PRO 27 1.582 -9.510 -5.860 179 HG2 PRO 27 2HG PRO 27 0.486 -10.367 -3.438 180 HG3 PRO 27 1HG PRO 27 2.073 -9.618 -3.657 181 HD2 PRO 27 2HD PRO 27 -0.476 -8.411 -2.713 182 HD3 PRO 27 1HD PRO 27 1.199 -8.038 -2.249 183 H THR 28 H THR 28 -1.614 -7.209 -3.954 184 HA THR 28 HA THR 28 -3.752 -8.052 -5.608 185 HB THR 28 HB THR 28 -4.107 -5.988 -3.465 186 HG1 THR 28 1HG THR 28 -2.943 -7.268 -2.226 187 HG21 THR 28 1HG2 THR 28 -6.119 -7.289 -2.994 188 HG22 THR 28 2HG2 THR 28 -5.656 -8.466 -4.223 189 HG23 THR 28 3HG2 THR 28 -6.061 -6.816 -4.692 190 H THR 29 H THR 29 -2.614 -4.815 -4.671 191 HA THR 29 HA THR 29 -4.129 -3.673 -6.908 192 HB THR 29 HB THR 29 -2.723 -1.940 -4.944 193 HG1 THR 29 1HG THR 29 -3.602 -3.456 -3.550 194 HG21 THR 29 1HG2 THR 29 -5.483 -1.877 -6.172 195 HG22 THR 29 2HG2 THR 29 -4.078 -0.976 -6.740 196 HG23 THR 29 3HG2 THR 29 -4.773 -0.617 -5.161 197 H GLY 30 H GLY 30 -0.897 -3.930 -5.516 198 HA2 GLY 30 1HA GLY 30 1.025 -4.045 -6.985 199 HA3 GLY 30 2HA GLY 30 0.193 -2.960 -8.094 200 H LEU 31 H LEU 31 0.593 -2.732 -4.599 201 HA LEU 31 HA LEU 31 1.858 -0.092 -5.015 202 HB2 LEU 31 1HB LEU 31 -0.118 -0.869 -2.871 203 HB3 LEU 31 2HB LEU 31 0.675 0.686 -3.008 204 HG LEU 31 HG LEU 31 -1.302 -0.470 -4.976 205 HD11 LEU 31 1HD1 LEU 31 -2.746 1.354 -4.219 206 HD12 LEU 31 2HD1 LEU 31 -1.532 1.822 -3.029 207 HD13 LEU 31 3HD1 LEU 31 -2.341 0.259 -2.898 208 HD21 LEU 31 1HD2 LEU 31 0.107 2.194 -4.955 209 HD22 LEU 31 2HD2 LEU 31 -1.175 1.718 -6.067 210 HD23 LEU 31 3HD2 LEU 31 0.377 0.882 -6.101 211 H TYR 32 H TYR 32 2.910 0.686 -2.925 212 HA TYR 32 HA TYR 32 4.232 -1.582 -1.592 213 HB2 TYR 32 2HB TYR 32 5.222 1.151 -2.350 214 HB3 TYR 32 1HB TYR 32 6.000 0.247 -1.059 215 HD1 TYR 32 1HD TYR 32 5.798 0.773 -4.586 216 HD2 TYR 32 2HD TYR 32 6.905 -2.080 -1.631 217 HE1 TYR 32 1HE TYR 32 7.168 -0.413 -6.250 218 HE2 TYR 32 2HE TYR 32 8.277 -3.271 -3.283 219 HH TYR 32 HH TYR 32 9.144 -1.940 -6.253 220 H TYR 33 H TYR 33 3.790 -1.822 0.509 221 HA TYR 33 HA TYR 33 2.470 0.354 1.933 222 HB2 TYR 33 2HB TYR 33 1.395 -1.758 2.184 223 HB3 TYR 33 1HB TYR 33 2.904 -2.568 2.571 224 HD1 TYR 33 1HD TYR 33 3.791 -2.541 4.790 225 HD2 TYR 33 2HD TYR 33 0.277 -0.327 3.864 226 HE1 TYR 33 1HE TYR 33 3.348 -2.260 7.186 227 HE2 TYR 33 2HE TYR 33 -0.179 -0.039 6.267 228 HH TYR 33 HH TYR 33 0.409 -1.331 8.413 229 H ASP 34 H ASP 34 3.664 1.765 2.992 230 HA ASP 34 HA ASP 34 6.381 1.229 3.776 231 HB2 ASP 34 1HB ASP 34 5.548 3.502 3.081 232 HB3 ASP 34 2HB ASP 34 4.619 3.566 4.569 233 HA PRO 35 HA PRO 35 4.889 -0.735 7.541 234 HB2 PRO 35 2HB PRO 35 7.380 -1.355 8.517 235 HB3 PRO 35 1HB PRO 35 6.495 -2.343 7.349 236 HG2 PRO 35 2HG PRO 35 8.710 -0.398 6.897 237 HG3 PRO 35 1HG PRO 35 8.393 -1.945 6.093 238 HD2 PRO 35 2HD PRO 35 7.828 0.461 4.963 239 HD3 PRO 35 1HD PRO 35 6.895 -1.009 4.623 240 H ASN 36 H ASN 36 7.007 1.979 7.278 241 HA ASN 36 HA ASN 36 7.145 2.339 10.159 242 HB2 ASN 36 1HB ASN 36 9.084 2.748 8.528 243 HB3 ASN 36 2HB ASN 36 8.243 4.232 8.096 244 HD21 ASN 36 1HD2 ASN 36 10.185 3.873 11.637 245 HD22 ASN 36 2HD2 ASN 36 9.870 2.498 10.632 246 H SER 37 H SER 37 5.928 4.093 7.315 247 HA SER 37 HA SER 37 4.539 5.975 9.076 248 HB2 SER 37 1HB SER 37 4.886 5.912 6.072 249 HB3 SER 37 2HB SER 37 4.022 7.176 6.949 250 HG SER 37 HG SER 37 6.785 6.510 7.097 251 H GLN 38 H GLN 38 3.941 3.150 7.305 252 HA GLN 38 HA GLN 38 2.141 1.872 6.922 253 HB2 GLN 38 1HB GLN 38 0.843 3.662 8.974 254 HB3 GLN 38 2HB GLN 38 0.150 2.162 8.369 255 HG2 GLN 38 1HG GLN 38 2.194 0.982 9.185 256 HG3 GLN 38 2HG GLN 38 2.692 2.491 9.944 257 HE21 GLN 38 1HE2 GLN 38 -0.171 0.147 11.589 258 HE22 GLN 38 2HE2 GLN 38 0.498 -0.173 10.027 259 H TYR 39 H TYR 39 2.625 4.022 5.170 260 HA TYR 39 HA TYR 39 -0.107 4.481 4.158 261 HB2 TYR 39 2HB TYR 39 2.415 6.083 3.672 262 HB3 TYR 39 1HB TYR 39 0.935 6.292 2.747 263 HD1 TYR 39 1HD TYR 39 -1.191 6.870 4.029 264 HD2 TYR 39 2HD TYR 39 2.703 7.235 5.691 265 HE1 TYR 39 1HE TYR 39 -2.070 8.404 5.728 266 HE2 TYR 39 2HE TYR 39 1.839 8.774 7.399 267 HH TYR 39 HH TYR 39 0.011 10.232 7.818 268 H TYR 40 H TYR 40 -0.303 4.366 1.791 269 HA TYR 40 HA TYR 40 1.372 2.203 0.750 270 HB2 TYR 40 2HB TYR 40 -1.318 3.286 -0.088 271 HB3 TYR 40 1HB TYR 40 -0.414 2.138 -1.070 272 HD1 TYR 40 1HD TYR 40 -0.233 -0.172 -0.437 273 HD2 TYR 40 2HD TYR 40 -2.221 2.606 2.101 274 HE1 TYR 40 1HE TYR 40 -1.160 -2.035 0.870 275 HE2 TYR 40 2HE TYR 40 -3.154 0.747 3.415 276 HH TYR 40 HH TYR 40 -2.230 -2.605 2.753 277 H TYR 41 H TYR 41 2.615 2.408 -1.011 278 HA TYR 41 HA TYR 41 2.880 5.104 -2.139 279 HB2 TYR 41 2HB TYR 41 4.879 4.464 -0.954 280 HB3 TYR 41 1HB TYR 41 4.917 2.902 -1.761 281 HD1 TYR 41 1HD TYR 41 4.824 6.515 -2.741 282 HD2 TYR 41 2HD TYR 41 6.497 2.662 -3.403 283 HE1 TYR 41 1HE TYR 41 6.269 7.452 -4.493 284 HE2 TYR 41 2HE TYR 41 7.948 3.585 -5.155 285 HH TYR 41 HH TYR 41 8.074 5.466 -6.638 286 H ASN 42 H ASN 42 2.100 5.277 -4.094 287 HA ASN 42 HA ASN 42 1.679 2.993 -5.803 288 HB2 ASN 42 1HB ASN 42 0.131 4.958 -5.727 289 HB3 ASN 42 2HB ASN 42 1.403 5.943 -6.437 290 HD21 ASN 42 1HD2 ASN 42 -1.062 4.530 -8.949 291 HD22 ASN 42 2HD2 ASN 42 -1.282 5.237 -7.380 292 H SER 43 H SER 43 3.309 2.120 -6.930 293 HA SER 43 HA SER 43 5.812 3.502 -7.141 294 HB2 SER 43 1HB SER 43 5.602 1.048 -6.679 295 HB3 SER 43 2HB SER 43 5.054 0.832 -8.342 296 HG SER 43 HG SER 43 7.165 2.061 -8.782 297 H LEU 44 H LEU 44 3.061 3.302 -9.111 298 HA LEU 44 HA LEU 44 4.526 3.713 -11.595 299 HB2 LEU 44 1HB LEU 44 2.587 2.227 -11.605 300 HB3 LEU 44 2HB LEU 44 1.566 3.526 -11.023 301 HG LEU 44 HG LEU 44 1.934 4.750 -13.128 302 HD11 LEU 44 1HD1 LEU 44 3.456 2.279 -13.950 303 HD12 LEU 44 2HD1 LEU 44 4.130 3.892 -13.712 304 HD13 LEU 44 3HD1 LEU 44 2.988 3.599 -15.021 305 HD21 LEU 44 1HD2 LEU 44 0.948 1.921 -13.456 306 HD22 LEU 44 2HD2 LEU 44 0.623 3.252 -14.566 307 HD23 LEU 44 3HD2 LEU 44 -0.001 3.306 -12.917 308 H THR 45 H THR 45 2.295 5.442 -9.457 309 HA THR 45 HA THR 45 2.572 7.844 -11.100 310 HB THR 45 HB THR 45 0.818 7.571 -8.667 311 HG1 THR 45 1HG THR 45 -0.812 6.843 -10.111 312 HG21 THR 45 1HG2 THR 45 1.116 9.819 -9.610 313 HG22 THR 45 2HG2 THR 45 -0.540 9.245 -9.820 314 HG23 THR 45 3HG2 THR 45 0.580 9.230 -11.183 315 H GLN 46 H GLN 46 3.854 6.434 -8.335 316 HA GLN 46 HA GLN 46 5.339 7.066 -6.755 317 HB2 GLN 46 1HB GLN 46 5.664 9.555 -8.440 318 HB3 GLN 46 2HB GLN 46 6.770 9.000 -7.190 319 HG2 GLN 46 1HG GLN 46 7.323 7.052 -8.477 320 HG3 GLN 46 2HG GLN 46 6.102 7.454 -9.682 321 HE21 GLN 46 1HE2 GLN 46 8.228 10.490 -10.454 322 HE22 GLN 46 2HE2 GLN 46 6.729 10.313 -9.603 323 H GLN 47 H GLN 47 2.728 7.472 -6.125 324 HA GLN 47 HA GLN 47 2.764 9.995 -4.602 325 HB2 GLN 47 1HB GLN 47 0.456 10.293 -4.973 326 HB3 GLN 47 2HB GLN 47 1.093 9.812 -6.536 327 HG2 GLN 47 1HG GLN 47 0.373 7.471 -6.001 328 HG3 GLN 47 2HG GLN 47 -0.445 8.122 -4.583 329 HE21 GLN 47 1HE2 GLN 47 -3.090 9.587 -6.402 330 HE22 GLN 47 2HE2 GLN 47 -2.186 9.614 -4.919 331 H TYR 48 H TYR 48 1.300 9.877 -2.640 332 HA TYR 48 HA TYR 48 1.567 7.212 -1.426 333 HB2 TYR 48 2HB TYR 48 1.810 9.957 -0.267 334 HB3 TYR 48 1HB TYR 48 1.284 8.627 0.761 335 HD1 TYR 48 1HD TYR 48 2.871 7.443 1.889 336 HD2 TYR 48 2HD TYR 48 3.982 9.404 -1.717 337 HE1 TYR 48 1HE TYR 48 5.192 6.730 2.232 338 HE2 TYR 48 2HE TYR 48 6.318 8.703 -1.379 339 HH TYR 48 HH TYR 48 7.798 8.005 0.386 340 H LEU 49 H LEU 49 -0.089 6.332 -0.287 341 HA LEU 49 HA LEU 49 -2.729 7.587 -0.633 342 HB2 LEU 49 1HB LEU 49 -2.004 4.758 -1.414 343 HB3 LEU 49 2HB LEU 49 -3.610 5.453 -1.473 344 HG LEU 49 HG LEU 49 -1.395 6.706 -3.052 345 HD11 LEU 49 1HD1 LEU 49 -3.070 4.356 -3.921 346 HD12 LEU 49 2HD1 LEU 49 -1.327 4.347 -3.641 347 HD13 LEU 49 3HD1 LEU 49 -2.003 5.306 -4.958 348 HD21 LEU 49 1HD2 LEU 49 -4.381 6.497 -3.406 349 HD22 LEU 49 2HD2 LEU 49 -3.277 7.330 -4.502 350 HD23 LEU 49 3HD2 LEU 49 -3.489 7.913 -2.850 351 H TYR 50 H TYR 50 -4.409 6.439 0.613 352 HA TYR 50 HA TYR 50 -3.414 4.742 2.778 353 HB2 TYR 50 2HB TYR 50 -4.540 5.997 4.497 354 HB3 TYR 50 1HB TYR 50 -3.515 7.117 3.613 355 HD1 TYR 50 1HD TYR 50 -6.928 6.215 4.485 356 HD2 TYR 50 2HD TYR 50 -4.525 8.805 2.119 357 HE1 TYR 50 1HE TYR 50 -8.868 7.676 4.133 358 HE2 TYR 50 2HE TYR 50 -6.462 10.281 1.758 359 HH TYR 50 HH TYR 50 -9.308 10.052 3.574 360 H TRP 51 H TRP 51 -4.951 3.231 3.499 361 HA TRP 51 HA TRP 51 -7.148 2.789 1.701 362 HB2 TRP 51 2HB TRP 51 -6.058 0.816 2.573 363 HB3 TRP 51 1HB TRP 51 -6.340 1.339 4.234 364 HD1 TRP 51 1HD TRP 51 -8.483 0.446 5.357 365 HE1 TRP 51 1HE TRP 51 -10.628 -0.726 4.547 366 HE3 TRP 51 3HE TRP 51 -7.702 0.713 0.310 367 HZ2 TRP 51 2HZ TRP 51 -11.838 -1.427 2.096 368 HZ3 TRP 51 3HZ TRP 51 -9.406 -0.230 -1.197 369 HH2 TRP 51 2HH TRP 51 -11.427 -1.280 -0.318 370 H ASP 52 H ASP 52 -9.080 3.643 1.853 371 HA ASP 52 HA ASP 52 -9.981 4.654 4.461 372 HB2 ASP 52 1HB ASP 52 -9.895 6.251 2.519 373 HB3 ASP 52 2HB ASP 52 -11.125 5.269 1.729 374 H GLY 53 H GLY 53 -11.455 3.485 5.508 375 HA2 GLY 53 1HA GLY 53 -12.466 1.086 4.281 376 HA3 GLY 53 2HA GLY 53 -12.705 1.590 5.945 377 H GLU 54 H GLU 54 -13.626 4.237 4.436 378 HA GLU 54 HA GLU 54 -16.435 3.406 4.416 379 HB2 GLU 54 1HB GLU 54 -15.717 5.330 5.836 380 HB3 GLU 54 2HB GLU 54 -15.250 6.192 4.378 381 HG2 GLU 54 1HG GLU 54 -17.402 6.947 5.167 382 HG3 GLU 54 2HG GLU 54 -17.564 6.141 3.607 383 H LYS 55 H LYS 55 -14.031 5.122 2.473 384 HA LYS 55 HA LYS 55 -15.790 5.373 0.200 385 HB2 LYS 55 1HB LYS 55 -12.792 5.721 0.289 386 HB3 LYS 55 2HB LYS 55 -13.889 6.338 -0.934 387 HG2 LYS 55 1HG LYS 55 -14.815 7.918 0.584 388 HG3 LYS 55 2HG LYS 55 -13.965 7.185 1.946 389 HD2 LYS 55 1HD LYS 55 -11.813 7.760 0.796 390 HD3 LYS 55 2HD LYS 55 -12.760 8.675 -0.380 391 HE2 LYS 55 1HE LYS 55 -13.583 10.132 1.343 392 HE3 LYS 55 2HE LYS 55 -12.824 9.150 2.592 393 HZ1 LYS 55 1HZ LYS 55 -11.400 10.718 0.505 394 HZ2 LYS 55 2HZ LYS 55 -10.657 9.757 1.691 395 HZ3 LYS 55 3HZ LYS 55 -11.537 11.129 2.146 396 H GLU 56 H GLU 56 -13.725 3.015 1.485 397 HA GLU 56 HA GLU 56 -12.983 0.982 0.831 398 HB2 GLU 56 1HB GLU 56 -15.188 1.242 -1.221 399 HB3 GLU 56 2HB GLU 56 -14.349 -0.249 -0.811 400 HG2 GLU 56 1HG GLU 56 -15.229 -0.218 1.407 401 HG3 GLU 56 2HG GLU 56 -15.917 1.384 1.166 402 H THR 57 H THR 57 -11.372 2.906 0.005 403 HA THR 57 HA THR 57 -10.279 1.917 -2.464 404 HB THR 57 HB THR 57 -11.989 3.489 -3.310 405 HG1 THR 57 1HG THR 57 -9.736 3.288 -4.238 406 HG21 THR 57 1HG2 THR 57 -11.780 5.897 -2.880 407 HG22 THR 57 2HG2 THR 57 -10.470 5.580 -1.744 408 HG23 THR 57 3HG2 THR 57 -12.100 5.005 -1.392 409 H TYR 58 H TYR 58 -8.138 2.705 -2.847 410 HA TYR 58 HA TYR 58 -6.809 3.835 -0.526 411 HB2 TYR 58 2HB TYR 58 -5.641 3.196 -3.243 412 HB3 TYR 58 1HB TYR 58 -4.748 3.522 -1.767 413 HD1 TYR 58 1HD TYR 58 -6.565 1.027 -3.681 414 HD2 TYR 58 2HD TYR 58 -4.706 1.852 0.057 415 HE1 TYR 58 1HE TYR 58 -6.541 -1.376 -3.169 416 HE2 TYR 58 2HE TYR 58 -4.676 -0.552 0.578 417 HH TYR 58 HH TYR 58 -5.228 -2.934 -1.731 418 H VAL 59 H VAL 59 -6.949 5.944 -0.226 419 HA VAL 59 HA VAL 59 -7.385 7.689 -2.555 420 HB VAL 59 HB VAL 59 -7.696 8.833 0.140 421 HG11 VAL 59 1HG1 VAL 59 -8.286 10.086 -1.839 422 HG12 VAL 59 2HG1 VAL 59 -9.723 9.784 -0.864 423 HG13 VAL 59 3HG1 VAL 59 -9.430 8.832 -2.319 424 HG21 VAL 59 1HG2 VAL 59 -9.895 7.809 0.540 425 HG22 VAL 59 2HG2 VAL 59 -8.593 6.621 0.600 426 HG23 VAL 59 3HG2 VAL 59 -9.627 6.725 -0.825 427 HA PRO 60 HA PRO 60 -3.356 9.474 -2.155 428 HB2 PRO 60 2HB PRO 60 -4.738 12.032 -2.739 429 HB3 PRO 60 1HB PRO 60 -3.368 11.275 -3.555 430 HG2 PRO 60 2HG PRO 60 -5.804 11.276 -4.650 431 HG3 PRO 60 1HG PRO 60 -4.707 9.895 -4.829 432 HD2 PRO 60 2HD PRO 60 -7.105 10.201 -3.096 433 HD3 PRO 60 1HD PRO 60 -6.474 8.763 -3.917 434 H ALA 61 H ALA 61 -2.299 10.117 -0.436 435 HA ALA 61 HA ALA 61 -3.727 10.971 1.902 436 HB1 ALA 61 1HB ALA 61 -0.760 10.639 1.475 437 HB2 ALA 61 2HB ALA 61 -1.867 9.386 2.035 438 HB3 ALA 61 3HB ALA 61 -1.576 10.813 3.030 439 H ALA 62 H ALA 62 -2.700 12.667 -0.696 440 HA ALA 62 HA ALA 62 -2.716 14.885 -1.160 441 HB1 ALA 62 1HB ALA 62 -3.186 15.340 1.779 442 HB2 ALA 62 2HB ALA 62 -4.443 15.099 0.565 443 HB3 ALA 62 3HB ALA 62 -3.400 16.520 0.484 444 H GLU 63 H GLU 63 -0.777 13.908 1.609 445 HA GLU 63 HA GLU 63 1.013 16.093 1.553 446 HB2 GLU 63 1HB GLU 63 2.489 14.630 2.917 447 HB3 GLU 63 2HB GLU 63 0.841 14.733 3.525 448 HG2 GLU 63 1HG GLU 63 0.343 12.563 2.506 449 HG3 GLU 63 2HG GLU 63 2.008 12.462 1.929 450 H SER 64 H SER 64 0.815 13.201 -0.336 451 HA SER 64 HA SER 64 2.981 14.204 -1.998 452 HB2 SER 64 1HB SER 64 2.893 11.339 -1.001 453 HB3 SER 64 2HB SER 64 4.033 11.983 -2.181 454 HG SER 64 HG SER 64 4.078 13.532 -0.008
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