NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615264 | 5mcs | 34064 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 25 HN ALA 25 -12.485 -7.790 -2.553 2 HA ALA 25 HA ALA 25 -12.865 -8.366 -5.357 3 HB1 ALA 25 HB1 ALA 25 -12.389 -5.658 -4.333 4 HB2 ALA 25 HB2 ALA 25 -11.129 -6.188 -5.473 5 HB3 ALA 25 HB3 ALA 25 -12.839 -6.195 -5.970 6 H GLY 26 HN GLY 26 -11.856 -10.144 -3.636 7 HA2 GLY 26 HA1 GLY 26 -10.048 -11.355 -3.070 8 HA3 GLY 26 HA2 GLY 26 -9.337 -10.747 -4.552 9 H GLY 27 HN GLY 27 -7.923 -8.894 -4.510 10 HA2 GLY 27 HA1 GLY 27 -6.232 -8.709 -2.322 11 HA3 GLY 27 HA2 GLY 27 -6.360 -7.544 -3.625 12 H GLY 28 HN GLY 28 -9.284 -7.005 -3.062 13 HA2 GLY 28 HA1 GLY 28 -8.948 -4.828 -1.302 14 HA3 GLY 28 HA2 GLY 28 -10.458 -5.453 -1.935 15 H GLU 29 HN GLU 29 -10.147 -8.197 -0.887 16 HA GLU 29 HA GLU 29 -11.315 -7.784 1.593 17 HB2 GLU 29 HB2 GLU 29 -11.625 -9.782 0.065 18 HB3 GLU 29 HB3 GLU 29 -10.040 -10.350 0.549 19 HG2 GLU 29 HG2 GLU 29 -11.631 -11.488 1.959 20 HG3 GLU 29 HG3 GLU 29 -10.837 -10.297 2.970 21 HE2 GLU 29 HE2 GLU 29 -14.578 -10.557 2.674 22 H LEU 30 HN LEU 30 -7.958 -8.147 0.567 23 HA LEU 30 HA LEU 30 -7.069 -8.709 3.266 24 HB2 LEU 30 HB2 LEU 30 -5.413 -8.208 0.796 25 HB3 LEU 30 HB3 LEU 30 -4.893 -8.935 2.303 26 HG LEU 30 HG LEU 30 -6.830 -10.132 0.304 27 HD11 LEU 30 HD1 LEU 30 -3.999 -10.120 0.400 28 HD11 LEU 30 HD1 LEU 30 -4.535 -11.756 0.853 29 HD11 LEU 30 HD1 LEU 30 -5.068 -11.040 -0.687 30 HD22 LEU 30 HD2 LEU 30 -7.620 -10.889 2.376 31 HD22 LEU 30 HD2 LEU 30 -6.554 -12.193 1.800 32 HD22 LEU 30 HD2 LEU 30 -5.979 -11.059 3.045 33 H PHE 31 HN PHE 31 -6.973 -6.070 0.804 34 HA PHE 31 HA PHE 31 -5.462 -4.326 2.410 35 HB2 PHE 31 HB2 PHE 31 -5.701 -4.088 -0.042 36 HB3 PHE 31 HB3 PHE 31 -7.448 -4.036 0.085 37 HD1 PHE 31 HD1 PHE 31 -4.542 -2.097 -0.244 38 HD2 PHE 31 HD2 PHE 31 -8.399 -2.040 1.527 39 HE1 PHE 31 HE1 PHE 31 -4.462 0.410 -0.147 40 HE2 PHE 31 HE2 PHE 31 -8.318 0.466 1.623 41 HZ PHE 31 HZ PHE 31 -6.350 1.662 0.785 42 H ALA 32 HN ALA 32 -8.867 -5.237 2.348 43 HA ALA 32 HA ALA 32 -9.617 -2.875 3.870 44 HB1 ALA 32 HB1 ALA 32 -10.969 -3.937 1.939 45 HB2 ALA 32 HB2 ALA 32 -11.383 -5.217 3.106 46 HB3 ALA 32 HB3 ALA 32 -11.850 -3.530 3.432 47 H THR 33 HN THR 33 -7.670 -4.339 5.207 48 HA THR 33 HA THR 33 -8.972 -4.897 7.636 49 HB THR 33 HB THR 33 -8.351 -7.207 5.779 50 HG1 THR 33 HG1 THR 33 -10.399 -7.794 6.753 51 HG22 THR 33 HG2 THR 33 -8.438 -7.397 8.834 52 HG22 THR 33 HG2 THR 33 -8.260 -8.747 7.688 53 HG22 THR 33 HG2 THR 33 -6.945 -7.562 7.879 54 H HIS 34 HN HIS 34 -6.115 -5.339 5.515 55 HA HIS 34 HA HIS 34 -4.460 -4.997 7.899 56 HB2 HIS 34 HB2 HIS 34 -3.664 -5.975 5.143 57 HB3 HIS 34 HB3 HIS 34 -2.633 -5.908 6.559 58 HD1 HIS 34 HD1 HIS 34 -3.214 -7.612 8.545 59 HD2 HIS 34 HD2 HIS 34 -5.289 -8.227 4.952 60 HE1 HIS 34 HE1 HIS 34 -4.209 -9.957 8.687 61 H CYS 35 HN CYS 35 -6.017 -3.122 5.718 62 HA CYS 35 HA CYS 35 -3.903 -1.128 5.841 63 HB2 CYS 35 HB2 CYS 35 -5.478 -1.439 3.302 64 HB3 CYS 35 HB3 CYS 35 -4.010 -0.525 3.586 65 H ALA 36 HN ALA 36 -7.322 -1.988 4.985 66 HA ALA 36 HA ALA 36 -8.552 0.374 4.919 67 HB1 ALA 36 HB1 ALA 36 -10.233 -1.130 6.561 68 HB2 ALA 36 HB2 ALA 36 -10.169 -1.194 4.783 69 HB3 ALA 36 HB3 ALA 36 -9.230 -2.356 5.750 70 H GLY 37 HN GLY 37 -7.169 -1.208 7.821 71 HA2 GLY 37 HA1 GLY 37 -8.249 0.763 9.629 72 HA3 GLY 37 HA2 GLY 37 -7.129 -0.535 9.996 73 H CYS 38 HN CYS 38 -6.952 2.189 7.596 74 HA CYS 38 HA CYS 38 -5.337 3.876 8.945 75 HB2 CYS 38 HB2 CYS 38 -3.845 1.471 8.271 76 HB3 CYS 38 HB3 CYS 38 -3.146 2.878 7.495 77 H HIS 39 HN HIS 39 -6.090 2.087 5.958 78 HA HIS 39 HA HIS 39 -5.730 4.590 4.477 79 HB2 HIS 39 HB2 HIS 39 -5.289 1.722 3.652 80 HB3 HIS 39 HB3 HIS 39 -5.567 2.980 2.464 81 HD1 HIS 39 HD1 HIS 39 -3.815 5.179 2.844 82 HD2 HIS 39 HD2 HIS 39 -2.644 1.395 4.224 83 HE1 HIS 39 HE1 HIS 39 -1.279 5.268 3.108 84 HA PRO 40 HA PRO 40 -10.219 3.339 4.680 85 HB2 PRO 40 HB2 PRO 40 -11.181 5.540 5.931 86 HB3 PRO 40 HB3 PRO 40 -10.347 4.244 6.850 87 HG2 PRO 40 HG2 PRO 40 -8.837 6.944 5.895 88 HG3 PRO 40 HG3 PRO 40 -9.169 6.082 7.432 89 HD2 PRO 40 HD2 PRO 40 -6.966 5.603 5.756 90 HD3 PRO 40 HD3 PRO 40 -7.651 4.389 6.879 91 H GLN 41 HN GLN 41 -10.974 3.598 2.572 92 HA GLN 41 HA GLN 41 -11.462 4.529 0.670 93 HB2 GLN 41 HB2 GLN 41 -12.026 6.782 2.601 94 HB3 GLN 41 HB3 GLN 41 -12.189 7.081 0.882 95 HG2 GLN 41 HG2 GLN 41 -13.446 4.535 1.593 96 HG3 GLN 41 HG3 GLN 41 -14.081 5.828 2.592 97 HE21 GLN 41 HE2 GLN 41 -15.443 4.345 0.565 98 HE21 GLN 41 HE2 GLN 41 -15.973 5.447 -0.661 99 H GLY 42 HN GLY 42 -8.881 4.175 0.585 100 HA2 GLY 42 HA1 GLY 42 -6.850 4.925 -0.063 101 HA3 GLY 42 HA2 GLY 42 -7.783 5.893 -1.186 102 H GLY 43 HN GLY 43 -8.030 6.312 2.354 103 HA2 GLY 43 HA1 GLY 43 -6.873 9.004 2.032 104 HA3 GLY 43 HA2 GLY 43 -8.017 8.502 3.260 105 H ASN 44 HN ASN 44 -6.697 9.169 5.029 106 HA ASN 44 HA ASN 44 -4.738 7.215 5.715 107 HB2 ASN 44 HB2 ASN 44 -3.985 10.162 5.361 108 HB3 ASN 44 HB3 ASN 44 -3.001 9.028 6.264 109 HD21 ASN 44 HD2 ASN 44 -1.519 7.914 5.234 110 HD21 ASN 44 HD2 ASN 44 -1.388 7.687 3.521 111 H THR 45 HN THR 45 -4.490 7.147 8.045 112 HA THR 45 HA THR 45 -6.215 9.052 9.484 113 HB THR 45 HB THR 45 -6.329 7.084 11.150 114 HG1 THR 45 HG1 THR 45 -5.279 5.221 10.439 115 HG22 THR 45 HG2 THR 45 -7.773 5.625 9.639 116 HG22 THR 45 HG2 THR 45 -8.232 7.344 9.620 117 HG22 THR 45 HG2 THR 45 -7.290 6.659 8.274 118 H VAL 46 HN VAL 46 -3.026 8.443 8.744 119 HA VAL 46 HA VAL 46 -2.170 9.373 11.398 120 HB VAL 46 HB VAL 46 -0.700 7.768 9.298 121 HG11 VAL 46 HG1 VAL 46 0.259 9.354 11.600 122 HG11 VAL 46 HG1 VAL 46 0.876 7.685 11.529 123 HG11 VAL 46 HG1 VAL 46 1.125 8.786 10.152 124 HG22 VAL 46 HG2 VAL 46 -1.169 5.904 10.472 125 HG22 VAL 46 HG2 VAL 46 -0.955 6.717 12.041 126 HG22 VAL 46 HG2 VAL 46 -2.496 6.866 11.164 127 H HIS 47 HN HIS 47 -1.309 9.518 7.865 128 HA HIS 47 HA HIS 47 -0.572 12.313 8.355 129 HB2 HIS 47 HB2 HIS 47 0.604 10.283 6.444 130 HB3 HIS 47 HB3 HIS 47 0.923 12.002 6.329 131 HD1 HIS 47 HD1 HIS 47 3.429 10.667 6.744 132 HD2 HIS 47 HD2 HIS 47 0.894 11.368 10.011 133 HE1 HIS 47 HE1 HIS 47 4.896 10.535 8.827 134 HA PRO 48 HA PRO 48 -3.951 12.936 5.524 135 HB2 PRO 48 HB2 PRO 48 -4.547 15.451 6.227 136 HB3 PRO 48 HB3 PRO 48 -4.747 14.126 7.420 137 HG2 PRO 48 HG2 PRO 48 -2.391 15.963 7.083 138 HG3 PRO 48 HG3 PRO 48 -3.164 15.618 8.665 139 HD2 PRO 48 HD2 PRO 48 -0.879 14.334 7.781 140 HD3 PRO 48 HD3 PRO 48 -2.097 13.517 8.807 141 H GLU 49 HN GLU 49 -0.782 13.526 5.128 142 HA GLU 49 HA GLU 49 -1.305 15.392 2.947 143 HB2 GLU 49 HB2 GLU 49 1.344 15.146 4.427 144 HB3 GLU 49 HB3 GLU 49 0.891 16.370 3.257 145 HG2 GLU 49 HG2 GLU 49 -0.967 16.156 5.574 146 HG3 GLU 49 HG3 GLU 49 0.660 16.648 6.002 147 HE2 GLU 49 HE2 GLU 49 1.443 18.556 4.876 148 H LYS 50 HN LYS 50 -0.660 12.226 3.767 149 HA LYS 50 HA LYS 50 0.781 11.803 1.244 150 HB2 LYS 50 HB2 LYS 50 1.137 10.097 3.717 151 HB3 LYS 50 HB3 LYS 50 2.057 10.038 2.227 152 HG2 LYS 50 HG2 LYS 50 1.952 12.620 3.812 153 HG3 LYS 50 HG3 LYS 50 3.021 11.333 4.332 154 HD2 LYS 50 HD2 LYS 50 4.448 11.602 2.543 155 HD3 LYS 50 HD3 LYS 50 3.147 11.926 1.415 156 HE2 LYS 50 HE2 LYS 50 2.982 14.233 2.095 157 HE3 LYS 50 HE3 LYS 50 3.933 13.959 3.541 158 HZ1 LYS 50 HZ1 LYS 50 5.348 14.955 1.903 159 HZ2 LYS 50 HZ2 LYS 50 5.833 13.405 2.019 160 H THR 51 HN THR 51 -1.181 11.506 0.096 161 HA THR 51 HA THR 51 -2.873 9.309 1.050 162 HB THR 51 HB THR 51 -4.558 10.298 -0.407 163 HG1 THR 51 HG1 THR 51 -3.809 11.981 -1.898 164 HG22 THR 51 HG2 THR 51 -4.855 12.399 0.586 165 HG22 THR 51 HG2 THR 51 -3.652 11.720 1.708 166 HG22 THR 51 HG2 THR 51 -3.136 12.830 0.416 167 H LEU 52 HN LEU 52 -3.940 8.181 -1.087 168 HA LEU 52 HA LEU 52 -1.631 6.889 -2.278 169 HB2 LEU 52 HB2 LEU 52 -4.574 6.204 -2.279 170 HB3 LEU 52 HB3 LEU 52 -3.329 5.253 -3.063 171 HG LEU 52 HG LEU 52 -3.580 5.784 -0.091 172 HD11 LEU 52 HD1 LEU 52 -5.085 4.071 -1.478 173 HD11 LEU 52 HD1 LEU 52 -3.651 3.042 -1.248 174 HD11 LEU 52 HD1 LEU 52 -4.495 3.721 0.164 175 HD22 LEU 52 HD2 LEU 52 -1.241 5.701 -0.620 176 HD22 LEU 52 HD2 LEU 52 -1.704 4.157 0.134 177 HD22 LEU 52 HD2 LEU 52 -1.467 4.252 -1.628 178 H ALA 53 HN ALA 53 -2.791 9.714 -2.939 179 HA ALA 53 HA ALA 53 -3.802 9.452 -5.583 180 HB1 ALA 53 HB1 ALA 53 -3.908 11.797 -5.535 181 HB2 ALA 53 HB2 ALA 53 -4.084 11.358 -3.819 182 HB3 ALA 53 HB3 ALA 53 -2.517 11.936 -4.433 183 H ARG 54 HN ARG 54 -2.712 9.264 -7.492 184 HA ARG 54 HA ARG 54 -0.112 8.523 -7.540 185 HB2 ARG 54 HB2 ARG 54 -1.724 8.190 -9.413 186 HB3 ARG 54 HB3 ARG 54 -1.718 9.911 -9.746 187 HG2 ARG 54 HG2 ARG 54 0.902 9.597 -9.981 188 HG3 ARG 54 HG3 ARG 54 0.511 7.899 -10.171 189 HD2 ARG 54 HD2 ARG 54 0.324 8.490 -12.394 190 HD3 ARG 54 HD3 ARG 54 -1.303 8.928 -11.915 191 HE ARG 54 HE ARG 54 0.257 11.200 -11.371 192 H ALA 55 HN ALA 55 -1.558 11.802 -8.024 193 HA ALA 55 HA ALA 55 0.516 13.252 -8.913 194 HB1 ALA 55 HB1 ALA 55 -0.719 14.622 -6.669 195 HB2 ALA 55 HB2 ALA 55 -0.918 14.910 -8.414 196 HB3 ALA 55 HB3 ALA 55 -1.939 13.709 -7.589 197 H ARG 56 HN ARG 56 0.084 11.907 -5.610 198 HA ARG 56 HA ARG 56 2.507 13.190 -4.773 199 HB2 ARG 56 HB2 ARG 56 0.169 12.162 -3.481 200 HB3 ARG 56 HB3 ARG 56 1.503 11.185 -2.901 201 HG2 ARG 56 HG2 ARG 56 1.450 14.241 -2.888 202 HG3 ARG 56 HG3 ARG 56 1.110 13.232 -1.496 203 HD2 ARG 56 HD2 ARG 56 3.379 12.344 -1.476 204 HD3 ARG 56 HD3 ARG 56 3.739 13.055 -3.036 205 HE ARG 56 HE ARG 56 3.888 14.391 -0.484 206 H ARG 57 HN ARG 57 1.190 9.844 -5.266 207 HA ARG 57 HA ARG 57 3.409 8.467 -4.500 208 HB2 ARG 57 HB2 ARG 57 0.950 7.943 -5.961 209 HB3 ARG 57 HB3 ARG 57 2.262 7.095 -6.755 210 HG2 ARG 57 HG2 ARG 57 2.069 5.492 -5.159 211 HG3 ARG 57 HG3 ARG 57 2.753 6.639 -4.024 212 HD2 ARG 57 HD2 ARG 57 0.622 5.785 -3.138 213 HD3 ARG 57 HD3 ARG 57 0.458 7.492 -3.498 214 HE ARG 57 HE ARG 57 -1.123 6.962 -5.135 215 H GLU 58 HN GLU 58 2.953 10.559 -7.231 216 HA GLU 58 HA GLU 58 4.832 9.255 -8.916 217 HB2 GLU 58 HB2 GLU 58 4.176 10.781 -10.503 218 HB3 GLU 58 HB3 GLU 58 2.818 10.983 -9.413 219 HG2 GLU 58 HG2 GLU 58 3.972 12.901 -8.311 220 HG3 GLU 58 HG3 GLU 58 5.353 12.689 -9.368 221 HE2 GLU 58 HE2 GLU 58 4.945 13.108 -11.633 222 H ALA 59 HN ALA 59 4.802 12.170 -6.770 223 HA ALA 59 HA ALA 59 7.286 13.165 -7.323 224 HB1 ALA 59 HB1 ALA 59 7.142 14.212 -5.151 225 HB2 ALA 59 HB2 ALA 59 5.494 14.118 -5.817 226 HB3 ALA 59 HB3 ALA 59 6.016 12.965 -4.565 227 H ASN 60 HN ASN 60 6.412 10.634 -4.864 228 HA ASN 60 HA ASN 60 9.147 10.180 -4.296 229 HB2 ASN 60 HB2 ASN 60 6.525 8.838 -3.529 230 HB3 ASN 60 HB3 ASN 60 8.045 8.069 -3.121 231 HD21 ASN 60 HD2 ASN 60 7.105 11.494 -3.269 232 HD21 ASN 60 HD2 ASN 60 7.458 11.894 -1.621 233 H GLY 61 HN GLY 61 6.589 8.824 -6.391 234 HA2 GLY 61 HA1 GLY 61 6.921 7.578 -8.295 235 HA3 GLY 61 HA2 GLY 61 8.564 7.220 -7.801 236 H ILE 62 HN ILE 62 5.103 6.454 -7.158 237 HA ILE 62 HA ILE 62 5.931 3.742 -6.513 238 HB ILE 62 HB ILE 62 4.176 5.407 -4.704 239 HG12 ILE 62 HG1 ILE 62 7.038 4.492 -4.509 240 HG13 ILE 62 HG1 ILE 62 6.369 6.090 -4.246 241 HG22 ILE 62 HG2 ILE 62 3.722 2.847 -5.118 242 HG22 ILE 62 HG2 ILE 62 5.119 2.647 -4.033 243 HG22 ILE 62 HG2 ILE 62 3.680 3.536 -3.477 244 HD11 ILE 62 HD1 ILE 62 5.827 3.661 -2.475 245 HD11 ILE 62 HD1 ILE 62 6.966 4.976 -2.100 246 HD11 ILE 62 HD1 ILE 62 5.220 5.311 -2.196 247 H ARG 63 HN ARG 63 5.083 4.048 -8.914 248 HA ARG 63 HA ARG 63 2.206 3.614 -8.770 249 HB2 ARG 63 HB2 ARG 63 3.627 4.509 -11.304 250 HB3 ARG 63 HB3 ARG 63 1.930 4.672 -10.897 251 HG2 ARG 63 HG2 ARG 63 2.356 6.761 -10.129 252 HG3 ARG 63 HG3 ARG 63 3.313 6.059 -8.839 253 HD2 ARG 63 HD2 ARG 63 4.521 6.479 -11.598 254 HD3 ARG 63 HD3 ARG 63 4.447 7.801 -10.450 255 HE ARG 63 HE ARG 63 5.569 5.877 -8.900 256 H THR 64 HN THR 64 3.460 1.368 -8.223 257 HA THR 64 HA THR 64 3.224 -0.198 -10.642 258 HB THR 64 HB THR 64 5.531 -1.236 -10.174 259 HG1 THR 64 HG1 THR 64 5.579 1.257 -8.620 260 HG22 THR 64 HG2 THR 64 5.147 0.613 -11.945 261 HG22 THR 64 HG2 THR 64 5.701 1.768 -10.710 262 HG22 THR 64 HG2 THR 64 6.800 0.497 -11.296 263 H VAL 65 HN VAL 65 3.161 -2.538 -10.193 264 HA VAL 65 HA VAL 65 1.614 -2.994 -7.867 265 HB VAL 65 HB VAL 65 2.758 -4.730 -10.048 266 HG11 VAL 65 HG1 VAL 65 0.748 -6.173 -8.677 267 HG11 VAL 65 HG1 VAL 65 2.483 -6.555 -8.795 268 HG11 VAL 65 HG1 VAL 65 1.878 -5.579 -7.436 269 HG22 VAL 65 HG2 VAL 65 -0.161 -4.514 -9.541 270 HG22 VAL 65 HG2 VAL 65 0.648 -3.038 -10.121 271 HG22 VAL 65 HG2 VAL 65 0.743 -4.539 -11.074 272 H ARG 66 HN ARG 66 4.841 -4.285 -8.946 273 HA ARG 66 HA ARG 66 5.480 -5.680 -6.777 274 HB2 ARG 66 HB2 ARG 66 7.183 -3.904 -8.567 275 HB3 ARG 66 HB3 ARG 66 7.929 -4.815 -7.269 276 HG2 ARG 66 HG2 ARG 66 7.141 -6.932 -8.197 277 HG3 ARG 66 HG3 ARG 66 6.134 -6.108 -9.371 278 HD2 ARG 66 HD2 ARG 66 7.979 -5.426 -10.686 279 HD3 ARG 66 HD3 ARG 66 9.108 -5.538 -9.350 280 HE ARG 66 HE ARG 66 8.237 -7.731 -11.092 281 H ASP 67 HN ASP 67 6.510 -2.210 -7.251 282 HA ASP 67 HA ASP 67 7.636 -1.634 -4.980 283 HB2 ASP 67 HB2 ASP 67 5.484 -0.064 -6.448 284 HB3 ASP 67 HB3 ASP 67 6.303 0.623 -5.060 285 HD2 ASP 67 HD2 ASP 67 8.428 1.781 -5.860 286 H VAL 68 HN VAL 68 4.117 -2.191 -5.477 287 HA VAL 68 HA VAL 68 3.542 -1.580 -2.701 288 HB VAL 68 HB VAL 68 1.792 -2.475 -5.001 289 HG11 VAL 68 HG1 VAL 68 1.208 -1.807 -2.129 290 HG11 VAL 68 HG1 VAL 68 0.007 -1.424 -3.386 291 HG11 VAL 68 HG1 VAL 68 0.548 -3.104 -3.153 292 HG22 VAL 68 HG2 VAL 68 2.999 0.035 -4.469 293 HG22 VAL 68 HG2 VAL 68 1.761 -0.355 -5.687 294 HG22 VAL 68 HG2 VAL 68 1.272 0.196 -4.066 295 H ALA 69 HN ALA 69 5.377 -3.541 -2.626 296 HA ALA 69 HA ALA 69 3.918 -5.682 -1.463 297 HB1 ALA 69 HB1 ALA 69 4.295 -7.407 -2.973 298 HB2 ALA 69 HB2 ALA 69 3.989 -6.051 -4.085 299 HB3 ALA 69 HB3 ALA 69 5.659 -6.569 -3.753 300 H ALA 70 HN ALA 70 7.006 -4.411 -2.819 301 HA ALA 70 HA ALA 70 8.599 -5.937 -1.008 302 HB1 ALA 70 HB1 ALA 70 9.688 -3.482 -2.299 303 HB2 ALA 70 HB2 ALA 70 10.340 -5.138 -2.254 304 HB3 ALA 70 HB3 ALA 70 9.041 -4.723 -3.399 305 H TYR 71 HN TYR 71 8.083 -2.407 -1.408 306 HA TYR 71 HA TYR 71 9.212 -1.483 0.918 307 HB2 TYR 71 HB2 TYR 71 7.115 -0.608 -0.938 308 HB3 TYR 71 HB3 TYR 71 6.899 0.036 0.699 309 HD1 TYR 71 HD1 TYR 71 7.730 2.172 0.949 310 HD2 TYR 71 HD2 TYR 71 9.843 -0.598 -1.563 311 HE1 TYR 71 HE1 TYR 71 9.455 3.896 0.499 312 HE2 TYR 71 HE2 TYR 71 11.568 1.126 -2.013 313 HH TYR 71 HH TYR 71 11.597 3.845 -1.952 314 H ILE 72 HN ILE 72 5.707 -2.494 0.584 315 HA ILE 72 HA ILE 72 4.911 -2.101 3.122 316 HB ILE 72 HB ILE 72 3.356 -3.977 2.782 317 HG12 ILE 72 HG1 ILE 72 4.489 -4.504 0.064 318 HG13 ILE 72 HG1 ILE 72 5.270 -5.258 1.439 319 HG22 ILE 72 HG2 ILE 72 3.616 -1.604 1.275 320 HG22 ILE 72 HG2 ILE 72 3.090 -2.871 0.142 321 HG22 ILE 72 HG2 ILE 72 2.140 -2.540 1.611 322 HD11 ILE 72 HD1 ILE 72 3.377 -6.523 2.010 323 HD11 ILE 72 HD1 ILE 72 2.257 -5.387 1.222 324 HD11 ILE 72 HD1 ILE 72 3.256 -6.480 0.235 325 H ARG 73 HN ARG 73 7.091 -4.661 1.912 326 HA ARG 73 HA ARG 73 7.011 -6.280 4.120 327 HB2 ARG 73 HB2 ARG 73 8.271 -6.425 1.745 328 HB3 ARG 73 HB3 ARG 73 9.631 -5.828 2.676 329 HG2 ARG 73 HG2 ARG 73 8.083 -8.103 3.880 330 HG3 ARG 73 HG3 ARG 73 9.035 -8.474 2.456 331 HD2 ARG 73 HD2 ARG 73 10.708 -6.852 4.114 332 HD3 ARG 73 HD3 ARG 73 9.943 -8.008 5.187 333 HE ARG 73 HE ARG 73 10.847 -9.381 2.832 334 H ASN 74 HN ASN 74 9.598 -3.848 3.275 335 HA ASN 74 HA ASN 74 9.896 -3.432 6.145 336 HB2 ASN 74 HB2 ASN 74 11.809 -4.701 4.822 337 HB3 ASN 74 HB3 ASN 74 12.194 -3.120 4.171 338 HD21 ASN 74 HD2 ASN 74 12.169 -1.333 5.931 339 HD21 ASN 74 HD2 ASN 74 13.079 -1.670 7.366 340 HA PRO 75 HA PRO 75 9.052 0.552 3.914 341 HB2 PRO 75 HB2 PRO 75 6.832 1.290 5.311 342 HB3 PRO 75 HB3 PRO 75 6.762 0.069 3.999 343 HG2 PRO 75 HG2 PRO 75 6.823 -0.300 6.860 344 HG3 PRO 75 HG3 PRO 75 5.836 -1.245 5.698 345 HD2 PRO 75 HD2 PRO 75 8.238 -2.127 6.840 346 HD3 PRO 75 HD3 PRO 75 7.628 -2.688 5.254 347 H GLY 76 HN GLY 76 8.764 2.854 5.059 348 HA2 GLY 76 HA1 GLY 76 10.754 2.921 7.169 349 HA3 GLY 76 HA2 GLY 76 10.058 4.277 6.305 350 HA PRO 77 HA PRO 77 8.362 4.118 10.665 351 HB2 PRO 77 HB2 PRO 77 8.663 6.869 10.991 352 HB3 PRO 77 HB3 PRO 77 9.927 5.655 11.378 353 HG2 PRO 77 HG2 PRO 77 9.503 7.222 9.027 354 HG3 PRO 77 HG3 PRO 77 11.139 7.089 9.752 355 HD2 PRO 77 HD2 PRO 77 10.626 5.602 7.627 356 HD3 PRO 77 HD3 PRO 77 11.280 4.749 9.059 357 H GLY 78 HN GLY 78 6.252 5.000 11.357 358 HA2 GLY 78 HA1 GLY 78 4.343 6.286 11.001 359 HA3 GLY 78 HA2 GLY 78 4.819 6.566 9.338 360 H MET 79 HN MET 79 5.507 3.736 8.752 361 HA MET 79 HA MET 79 2.802 2.641 8.849 362 HB2 MET 79 HB2 MET 79 3.906 3.530 6.577 363 HB3 MET 79 HB3 MET 79 4.798 2.022 6.633 364 HG2 MET 79 HG2 MET 79 2.807 0.697 6.481 365 HG3 MET 79 HG3 MET 79 1.772 2.034 6.942 366 HE1 MET 79 HE1 MET 79 2.231 0.281 3.274 367 HE2 MET 79 HE2 MET 79 3.897 0.908 3.273 368 HE3 MET 79 HE3 MET 79 3.298 -0.026 4.665 369 HA PRO 80 HA PRO 80 4.521 -0.741 11.079 370 HB2 PRO 80 HB2 PRO 80 2.288 -2.246 9.717 371 HB3 PRO 80 HB3 PRO 80 2.683 -2.061 11.457 372 HG2 PRO 80 HG2 PRO 80 0.590 -0.700 10.333 373 HG3 PRO 80 HG3 PRO 80 1.699 -0.199 11.651 374 HD2 PRO 80 HD2 PRO 80 1.670 0.572 8.696 375 HD3 PRO 80 HD3 PRO 80 1.969 1.605 10.127 376 H ALA 81 HN ALA 81 3.990 -3.481 9.871 377 HA ALA 81 HA ALA 81 5.375 -3.360 7.341 378 HB1 ALA 81 HB1 ALA 81 7.438 -3.767 8.125 379 HB2 ALA 81 HB2 ALA 81 6.825 -3.644 9.792 380 HB3 ALA 81 HB3 ALA 81 6.842 -5.220 8.964 381 H PHE 82 HN PHE 82 5.612 -5.659 6.438 382 HA PHE 82 HA PHE 82 3.776 -7.537 7.676 383 HB2 PHE 82 HB2 PHE 82 3.623 -6.488 4.786 384 HB3 PHE 82 HB3 PHE 82 2.604 -7.758 5.435 385 HD1 PHE 82 HD1 PHE 82 0.724 -7.243 6.844 386 HD2 PHE 82 HD2 PHE 82 3.308 -4.153 5.507 387 HE1 PHE 82 HE1 PHE 82 -0.954 -5.525 7.571 388 HE2 PHE 82 HE2 PHE 82 1.629 -2.435 6.235 389 HZ PHE 82 HZ PHE 82 -0.482 -3.141 7.258 390 H GLY 83 HN GLY 83 5.224 -9.201 7.955 391 HA2 GLY 83 HA1 GLY 83 7.240 -9.743 5.951 392 HA3 GLY 83 HA2 GLY 83 6.989 -10.569 7.476 393 H GLU 84 HN GLU 84 7.470 -12.425 5.800 394 HA GLU 84 HA GLU 84 5.173 -13.090 4.219 395 HB2 GLU 84 HB2 GLU 84 6.536 -14.957 3.407 396 HB3 GLU 84 HB3 GLU 84 7.478 -13.479 3.366 397 HG2 GLU 84 HG2 GLU 84 8.510 -14.100 5.577 398 HG3 GLU 84 HG3 GLU 84 7.599 -15.597 5.566 399 HE2 GLU 84 HE2 GLU 84 9.735 -17.301 4.168 400 H ALA 85 HN ALA 85 5.412 -13.059 7.378 401 HA ALA 85 HA ALA 85 4.935 -15.808 8.044 402 HB1 ALA 85 HB1 ALA 85 4.242 -13.548 9.885 403 HB2 ALA 85 HB2 ALA 85 5.089 -15.077 10.223 404 HB3 ALA 85 HB3 ALA 85 5.949 -13.742 9.420 405 H MET 86 HN MET 86 3.016 -12.788 7.586 406 HA MET 86 HA MET 86 0.620 -14.389 7.960 407 HB2 MET 86 HB2 MET 86 1.269 -11.951 9.000 408 HB3 MET 86 HB3 MET 86 0.557 -11.400 7.497 409 HG2 MET 86 HG2 MET 86 -1.177 -11.493 9.243 410 HG3 MET 86 HG3 MET 86 -1.530 -12.684 8.007 411 HE1 MET 86 HE1 MET 86 0.474 -11.921 10.952 412 HE2 MET 86 HE2 MET 86 -0.283 -12.919 12.216 413 HE3 MET 86 HE3 MET 86 1.167 -13.507 11.368 414 H ILE 87 HN ILE 87 1.979 -11.846 5.739 415 HA ILE 87 HA ILE 87 0.376 -13.082 3.608 416 HB ILE 87 HB ILE 87 1.120 -10.171 3.912 417 HG12 ILE 87 HG1 ILE 87 -1.324 -11.726 4.674 418 HG13 ILE 87 HG1 ILE 87 -0.510 -10.432 5.530 419 HG22 ILE 87 HG2 ILE 87 0.968 -11.000 1.571 420 HG22 ILE 87 HG2 ILE 87 -0.713 -11.491 1.894 421 HG22 ILE 87 HG2 ILE 87 -0.255 -9.773 1.982 422 HD11 ILE 87 HD1 ILE 87 -2.284 -10.203 3.067 423 HD11 ILE 87 HD1 ILE 87 -2.533 -9.471 4.671 424 HD11 ILE 87 HD1 ILE 87 -1.234 -8.872 3.611 425 HA PRO 88 HA PRO 88 4.446 -13.944 2.070 426 HB2 PRO 88 HB2 PRO 88 3.632 -15.505 -0.014 427 HB3 PRO 88 HB3 PRO 88 3.510 -16.055 1.689 428 HG2 PRO 88 HG2 PRO 88 1.643 -14.821 0.018 429 HG3 PRO 88 HG3 PRO 88 1.131 -16.278 0.930 430 HD2 PRO 88 HD2 PRO 88 0.373 -13.889 1.831 431 HD3 PRO 88 HD3 PRO 88 1.111 -15.019 3.006 432 HA PRO 89 HA PRO 89 5.095 -10.762 -0.884 433 HB2 PRO 89 HB2 PRO 89 6.911 -12.147 -2.555 434 HB3 PRO 89 HB3 PRO 89 7.318 -11.273 -1.042 435 HG2 PRO 89 HG2 PRO 89 6.799 -14.177 -1.433 436 HG3 PRO 89 HG3 PRO 89 8.112 -13.498 -0.416 437 HD2 PRO 89 HD2 PRO 89 5.882 -14.355 0.774 438 HD3 PRO 89 HD3 PRO 89 6.500 -12.738 1.228 439 H ALA 90 HN ALA 90 4.569 -14.143 -2.146 440 HA ALA 90 HA ALA 90 3.794 -13.331 -4.706 441 HB1 ALA 90 HB1 ALA 90 2.426 -15.716 -4.056 442 HB2 ALA 90 HB2 ALA 90 4.000 -15.563 -4.872 443 HB3 ALA 90 HB3 ALA 90 3.929 -15.750 -3.103 444 H ASP 91 HN ASP 91 2.133 -13.395 -1.574 445 HA ASP 91 HA ASP 91 -0.429 -13.110 -2.802 446 HB2 ASP 91 HB2 ASP 91 0.628 -13.107 0.041 447 HB3 ASP 91 HB3 ASP 91 -1.008 -12.565 -0.273 448 HD2 ASP 91 HD2 ASP 91 0.241 -15.098 -2.181 449 H ALA 92 HN ALA 92 2.269 -11.122 -2.083 450 HA ALA 92 HA ALA 92 0.780 -8.764 -1.360 451 HB1 ALA 92 HB1 ALA 92 3.012 -9.206 -0.423 452 HB2 ALA 92 HB2 ALA 92 3.710 -9.218 -2.061 453 HB3 ALA 92 HB3 ALA 92 3.026 -7.715 -1.395 454 H LEU 93 HN LEU 93 2.358 -10.218 -4.240 455 HA LEU 93 HA LEU 93 2.200 -7.965 -5.877 456 HB2 LEU 93 HB2 LEU 93 2.141 -10.899 -6.597 457 HB3 LEU 93 HB3 LEU 93 2.431 -9.583 -7.717 458 HG LEU 93 HG LEU 93 4.194 -10.172 -5.326 459 HD11 LEU 93 HD1 LEU 93 4.582 -12.064 -6.564 460 HD11 LEU 93 HD1 LEU 93 4.220 -11.266 -8.113 461 HD11 LEU 93 HD1 LEU 93 5.765 -10.949 -7.288 462 HD22 LEU 93 HD2 LEU 93 5.044 -8.168 -5.767 463 HD22 LEU 93 HD2 LEU 93 5.643 -8.836 -7.304 464 HD22 LEU 93 HD2 LEU 93 4.071 -8.004 -7.248 465 H LYS 94 HN LYS 94 -0.267 -9.920 -4.484 466 HA LYS 94 HA LYS 94 -2.146 -9.437 -6.628 467 HB2 LYS 94 HB2 LYS 94 -2.276 -11.576 -5.565 468 HB3 LYS 94 HB3 LYS 94 -2.325 -10.863 -3.966 469 HG2 LYS 94 HG2 LYS 94 -4.459 -9.655 -5.441 470 HG3 LYS 94 HG3 LYS 94 -4.524 -11.368 -5.803 471 HD2 LYS 94 HD2 LYS 94 -4.040 -10.793 -2.932 472 HD3 LYS 94 HD3 LYS 94 -5.567 -10.163 -3.519 473 HE2 LYS 94 HE2 LYS 94 -5.046 -12.898 -4.500 474 HE3 LYS 94 HE3 LYS 94 -5.057 -12.817 -2.750 475 HZ1 LYS 94 HZ1 LYS 94 -7.295 -13.006 -3.153 476 HZ2 LYS 94 HZ2 LYS 94 -7.217 -11.382 -3.246 477 H ILE 95 HN ILE 95 -1.126 -8.069 -3.526 478 HA ILE 95 HA ILE 95 -3.479 -6.514 -3.161 479 HB ILE 95 HB ILE 95 -0.727 -6.159 -1.972 480 HG12 ILE 95 HG1 ILE 95 -1.742 -8.476 -1.730 481 HG13 ILE 95 HG1 ILE 95 -1.293 -7.652 -0.250 482 HG22 ILE 95 HG2 ILE 95 -3.338 -4.849 -1.564 483 HG22 ILE 95 HG2 ILE 95 -2.515 -5.377 -0.076 484 HG22 ILE 95 HG2 ILE 95 -1.689 -4.279 -1.209 485 HD11 ILE 95 HD1 ILE 95 -3.416 -7.843 0.505 486 HD11 ILE 95 HD1 ILE 95 -3.995 -6.881 -0.876 487 HD11 ILE 95 HD1 ILE 95 -3.878 -8.652 -1.012 488 H GLY 96 HN GLY 96 -0.184 -5.936 -4.527 489 HA2 GLY 96 HA1 GLY 96 -0.260 -3.249 -4.978 490 HA3 GLY 96 HA2 GLY 96 0.509 -4.414 -6.038 491 H GLU 97 HN GLU 97 -2.205 -5.787 -6.521 492 HA GLU 97 HA GLU 97 -2.820 -4.332 -8.828 493 HB2 GLU 97 HB2 GLU 97 -4.604 -6.437 -7.554 494 HB3 GLU 97 HB3 GLU 97 -4.445 -6.049 -9.256 495 HG2 GLU 97 HG2 GLU 97 -1.939 -6.742 -8.989 496 HG3 GLU 97 HG3 GLU 97 -2.428 -7.456 -7.465 497 HE2 GLU 97 HE2 GLU 97 -4.279 -10.005 -9.036 498 H TYR 98 HN TYR 98 -4.529 -4.869 -5.731 499 HA TYR 98 HA TYR 98 -6.876 -3.475 -6.160 500 HB2 TYR 98 HB2 TYR 98 -6.239 -4.745 -4.114 501 HB3 TYR 98 HB3 TYR 98 -5.163 -3.414 -3.653 502 HD1 TYR 98 HD1 TYR 98 -5.971 -1.850 -2.155 503 HD2 TYR 98 HD2 TYR 98 -8.746 -3.956 -4.669 504 HE1 TYR 98 HE1 TYR 98 -7.862 -0.714 -1.020 505 HE2 TYR 98 HE2 TYR 98 -10.636 -2.819 -3.535 506 HH TYR 98 HH TYR 98 -10.356 -1.114 -0.623 507 H VAL 99 HN VAL 99 -3.570 -2.168 -5.825 508 HA VAL 99 HA VAL 99 -4.696 0.521 -5.649 509 HB VAL 99 HB VAL 99 -1.912 -0.600 -5.311 510 HG11 VAL 99 HG1 VAL 99 -1.256 1.436 -6.066 511 HG11 VAL 99 HG1 VAL 99 -2.840 2.185 -5.756 512 HG11 VAL 99 HG1 VAL 99 -1.691 1.947 -4.417 513 HG22 VAL 99 HG2 VAL 99 -3.980 0.528 -3.411 514 HG22 VAL 99 HG2 VAL 99 -3.187 -1.065 -3.375 515 HG22 VAL 99 HG2 VAL 99 -2.257 0.401 -2.981 516 H VAL 100 HN VAL 100 -5.140 -1.033 -8.054 517 HA VAL 100 HA VAL 100 -3.844 0.779 -9.906 518 HB VAL 100 HB VAL 100 -3.565 -2.227 -10.031 519 HG11 VAL 100 HG1 VAL 100 -2.177 -1.404 -12.180 520 HG11 VAL 100 HG1 VAL 100 -3.892 -1.874 -12.259 521 HG11 VAL 100 HG1 VAL 100 -3.443 -0.154 -12.167 522 HG22 VAL 100 HG2 VAL 100 -1.893 -1.153 -8.627 523 HG22 VAL 100 HG2 VAL 100 -1.143 -1.716 -10.140 524 HG22 VAL 100 HG2 VAL 100 -1.515 0.011 -9.920 525 H ALA 101 HN ALA 101 -6.566 0.070 -8.640 526 HA ALA 101 HA ALA 101 -7.964 -0.159 -11.208 527 HB1 ALA 101 HB1 ALA 101 -8.224 -2.323 -10.246 528 HB2 ALA 101 HB2 ALA 101 -8.484 -1.652 -8.618 529 HB3 ALA 101 HB3 ALA 101 -9.732 -1.454 -9.872 530 H SER 102 HN SER 102 -7.054 2.153 -9.531 531 HA SER 102 HA SER 102 -9.565 3.465 -9.504 532 HB2 SER 102 HB2 SER 102 -9.347 4.236 -7.093 533 HB3 SER 102 HB3 SER 102 -9.799 2.555 -7.293 534 HG SER 102 HG SER 102 -7.566 1.955 -6.924 535 H PHE 103 HN PHE 103 -6.086 3.433 -8.534 536 HA PHE 103 HA PHE 103 -5.695 5.880 -9.993 537 HB2 PHE 103 HB2 PHE 103 -4.399 6.576 -7.681 538 HB3 PHE 103 HB3 PHE 103 -6.058 7.049 -7.988 539 HD1 PHE 103 HD1 PHE 103 -4.613 3.766 -6.955 540 HD2 PHE 103 HD2 PHE 103 -7.168 7.005 -5.961 541 HE1 PHE 103 HE1 PHE 103 -5.342 2.554 -4.882 542 HE2 PHE 103 HE2 PHE 103 -7.898 5.793 -3.888 543 HZ PHE 103 HZ PHE 103 -6.976 3.582 -3.373 544 HA PRO 104 HA PRO 104 -2.388 2.657 -10.322 545 HB2 PRO 104 HB2 PRO 104 -2.379 3.985 -13.041 546 HB3 PRO 104 HB3 PRO 104 -2.301 2.251 -12.586 547 HG2 PRO 104 HG2 PRO 104 -4.588 3.382 -13.561 548 HG3 PRO 104 HG3 PRO 104 -4.679 2.133 -12.277 549 HD2 PRO 104 HD2 PRO 104 -4.801 5.176 -12.082 550 HD3 PRO 104 HD3 PRO 104 -5.753 3.949 -11.192 Start of MODEL 2 1 H ALA 25 HN ALA 25 -12.376 -8.153 -2.261 2 HA ALA 25 HA ALA 25 -13.130 -8.958 -4.786 3 HB1 ALA 25 HB1 ALA 25 -12.525 -6.102 -4.606 4 HB2 ALA 25 HB2 ALA 25 -11.434 -6.941 -5.735 5 HB3 ALA 25 HB3 ALA 25 -13.197 -7.038 -5.963 6 H GLY 26 HN GLY 26 -11.849 -10.344 -2.952 7 HA2 GLY 26 HA1 GLY 26 -9.997 -11.536 -2.511 8 HA3 GLY 26 HA2 GLY 26 -9.435 -11.101 -4.113 9 H GLY 27 HN GLY 27 -8.088 -9.204 -4.417 10 HA2 GLY 27 HA1 GLY 27 -6.185 -8.781 -2.434 11 HA3 GLY 27 HA2 GLY 27 -6.455 -7.772 -3.841 12 H GLY 28 HN GLY 28 -9.349 -7.251 -3.010 13 HA2 GLY 28 HA1 GLY 28 -8.835 -4.894 -1.485 14 HA3 GLY 28 HA2 GLY 28 -10.387 -5.502 -2.026 15 H GLU 29 HN GLU 29 -10.425 -8.090 -0.839 16 HA GLU 29 HA GLU 29 -11.370 -7.477 1.657 17 HB2 GLU 29 HB2 GLU 29 -11.947 -9.518 0.337 18 HB3 GLU 29 HB3 GLU 29 -10.347 -10.167 0.641 19 HG2 GLU 29 HG2 GLU 29 -11.334 -11.154 2.456 20 HG3 GLU 29 HG3 GLU 29 -11.124 -9.587 3.211 21 HE2 GLU 29 HE2 GLU 29 -14.522 -11.134 3.019 22 H LEU 30 HN LEU 30 -8.089 -8.060 0.545 23 HA LEU 30 HA LEU 30 -7.116 -8.632 3.206 24 HB2 LEU 30 HB2 LEU 30 -5.548 -8.147 0.675 25 HB3 LEU 30 HB3 LEU 30 -4.979 -8.888 2.158 26 HG LEU 30 HG LEU 30 -7.008 -10.042 0.226 27 HD11 LEU 30 HD1 LEU 30 -5.182 -10.724 -0.854 28 HD11 LEU 30 HD1 LEU 30 -4.107 -10.248 0.483 29 HD11 LEU 30 HD1 LEU 30 -4.918 -11.832 0.514 30 HD22 LEU 30 HD2 LEU 30 -6.889 -12.079 1.666 31 HD22 LEU 30 HD2 LEU 30 -6.021 -11.111 2.881 32 HD22 LEU 30 HD2 LEU 30 -7.689 -10.684 2.430 33 H PHE 31 HN PHE 31 -7.022 -5.974 0.761 34 HA PHE 31 HA PHE 31 -5.450 -4.285 2.391 35 HB2 PHE 31 HB2 PHE 31 -5.603 -4.026 -0.058 36 HB3 PHE 31 HB3 PHE 31 -7.353 -3.955 0.005 37 HD1 PHE 31 HD1 PHE 31 -8.340 -1.946 1.393 38 HD2 PHE 31 HD2 PHE 31 -4.410 -2.049 -0.204 39 HE1 PHE 31 HE1 PHE 31 -8.235 0.560 1.490 40 HE2 PHE 31 HE2 PHE 31 -4.305 0.457 -0.107 41 HZ PHE 31 HZ PHE 31 -6.219 1.732 0.739 42 H ALA 32 HN ALA 32 -8.868 -5.108 2.279 43 HA ALA 32 HA ALA 32 -9.583 -2.707 3.763 44 HB1 ALA 32 HB1 ALA 32 -11.738 -3.131 3.083 45 HB2 ALA 32 HB2 ALA 32 -10.876 -3.999 1.790 46 HB3 ALA 32 HB3 ALA 32 -11.537 -4.897 3.177 47 H THR 33 HN THR 33 -7.713 -4.229 5.147 48 HA THR 33 HA THR 33 -9.087 -4.738 7.548 49 HB THR 33 HB THR 33 -8.484 -7.073 5.715 50 HG1 THR 33 HG1 THR 33 -10.643 -7.283 6.210 51 HG22 THR 33 HG2 THR 33 -7.894 -6.926 8.633 52 HG22 THR 33 HG2 THR 33 -9.022 -8.226 8.182 53 HG22 THR 33 HG2 THR 33 -7.404 -8.156 7.444 54 H HIS 34 HN HIS 34 -6.196 -5.270 5.495 55 HA HIS 34 HA HIS 34 -4.581 -5.010 7.914 56 HB2 HIS 34 HB2 HIS 34 -3.740 -5.895 5.140 57 HB3 HIS 34 HB3 HIS 34 -2.752 -5.918 6.587 58 HD1 HIS 34 HD1 HIS 34 -3.491 -7.667 8.503 59 HD2 HIS 34 HD2 HIS 34 -5.357 -8.119 4.773 60 HE1 HIS 34 HE1 HIS 34 -4.533 -9.996 8.503 61 H CYS 35 HN CYS 35 -5.968 -3.140 5.494 62 HA CYS 35 HA CYS 35 -3.846 -1.154 5.812 63 HB2 CYS 35 HB2 CYS 35 -5.396 -1.367 3.248 64 HB3 CYS 35 HB3 CYS 35 -3.907 -0.501 3.570 65 H ALA 36 HN ALA 36 -7.276 -1.915 4.917 66 HA ALA 36 HA ALA 36 -8.454 0.472 4.871 67 HB1 ALA 36 HB1 ALA 36 -9.193 -2.249 5.665 68 HB2 ALA 36 HB2 ALA 36 -10.164 -1.017 6.506 69 HB3 ALA 36 HB3 ALA 36 -10.113 -1.048 4.727 70 H GLY 37 HN GLY 37 -7.058 -1.135 7.743 71 HA2 GLY 37 HA1 GLY 37 -8.119 0.831 9.576 72 HA3 GLY 37 HA2 GLY 37 -7.017 -0.485 9.929 73 H CYS 38 HN CYS 38 -6.788 2.227 7.524 74 HA CYS 38 HA CYS 38 -5.156 3.896 8.879 75 HB2 CYS 38 HB2 CYS 38 -3.699 1.467 8.215 76 HB3 CYS 38 HB3 CYS 38 -2.976 2.861 7.437 77 H HIS 39 HN HIS 39 -5.923 2.112 5.892 78 HA HIS 39 HA HIS 39 -5.524 4.609 4.408 79 HB2 HIS 39 HB2 HIS 39 -5.132 1.732 3.579 80 HB3 HIS 39 HB3 HIS 39 -5.366 3.005 2.398 81 HD1 HIS 39 HD1 HIS 39 -3.570 5.173 2.864 82 HD2 HIS 39 HD2 HIS 39 -2.498 1.321 4.130 83 HE1 HIS 39 HE1 HIS 39 -1.034 5.193 3.145 84 HA PRO 40 HA PRO 40 -10.031 3.418 4.600 85 HB2 PRO 40 HB2 PRO 40 -10.965 5.636 5.843 86 HB3 PRO 40 HB3 PRO 40 -10.156 4.328 6.767 87 HG2 PRO 40 HG2 PRO 40 -8.596 7.007 5.824 88 HG3 PRO 40 HG3 PRO 40 -8.958 6.141 7.352 89 HD2 PRO 40 HD2 PRO 40 -6.749 5.634 5.688 90 HD3 PRO 40 HD3 PRO 40 -7.459 4.432 6.808 91 H GLN 41 HN GLN 41 -10.583 3.638 2.409 92 HA GLN 41 HA GLN 41 -11.103 4.584 0.526 93 HB2 GLN 41 HB2 GLN 41 -11.737 6.790 2.474 94 HB3 GLN 41 HB3 GLN 41 -11.785 7.174 0.765 95 HG2 GLN 41 HG2 GLN 41 -13.211 4.716 1.845 96 HG3 GLN 41 HG3 GLN 41 -13.972 6.293 1.909 97 HE21 GLN 41 HE2 GLN 41 -14.732 7.258 0.098 98 HE21 GLN 41 HE2 GLN 41 -14.791 6.515 -1.466 99 H GLY 42 HN GLY 42 -8.577 4.211 0.358 100 HA2 GLY 42 HA1 GLY 42 -6.521 4.950 -0.239 101 HA3 GLY 42 HA2 GLY 42 -7.439 5.955 -1.342 102 H GLY 43 HN GLY 43 -7.733 6.327 2.192 103 HA2 GLY 43 HA1 GLY 43 -6.506 8.993 1.935 104 HA3 GLY 43 HA2 GLY 43 -7.681 8.497 3.136 105 H ASN 44 HN ASN 44 -6.233 9.273 4.831 106 HA ASN 44 HA ASN 44 -4.405 7.204 5.590 107 HB2 ASN 44 HB2 ASN 44 -3.510 10.110 5.216 108 HB3 ASN 44 HB3 ASN 44 -2.571 8.912 6.084 109 HD21 ASN 44 HD2 ASN 44 -1.087 7.890 4.991 110 HD21 ASN 44 HD2 ASN 44 -1.033 7.624 3.280 111 H THR 45 HN THR 45 -4.146 7.183 7.923 112 HA THR 45 HA THR 45 -5.801 9.181 9.319 113 HB THR 45 HB THR 45 -5.788 7.169 11.056 114 HG1 THR 45 HG1 THR 45 -5.411 5.838 8.487 115 HG22 THR 45 HG2 THR 45 -7.812 7.849 9.676 116 HG22 THR 45 HG2 THR 45 -7.210 6.804 8.367 117 HG22 THR 45 HG2 THR 45 -7.692 6.090 9.925 118 H VAL 46 HN VAL 46 -2.627 8.407 8.602 119 HA VAL 46 HA VAL 46 -1.738 9.413 11.216 120 HB VAL 46 HB VAL 46 -0.318 7.682 9.184 121 HG11 VAL 46 HG1 VAL 46 0.797 8.252 11.907 122 HG11 VAL 46 HG1 VAL 46 1.633 7.821 10.396 123 HG11 VAL 46 HG1 VAL 46 0.999 9.469 10.624 124 HG22 VAL 46 HG2 VAL 46 -0.837 6.850 12.014 125 HG22 VAL 46 HG2 VAL 46 -2.179 6.783 10.846 126 HG22 VAL 46 HG2 VAL 46 -0.686 5.863 10.540 127 H HIS 47 HN HIS 47 -0.880 9.389 7.681 128 HA HIS 47 HA HIS 47 -0.032 12.169 8.063 129 HB2 HIS 47 HB2 HIS 47 1.076 10.012 6.255 130 HB3 HIS 47 HB3 HIS 47 1.446 11.711 6.043 131 HD1 HIS 47 HD1 HIS 47 3.918 10.354 6.528 132 HD2 HIS 47 HD2 HIS 47 1.399 11.259 9.758 133 HE1 HIS 47 HE1 HIS 47 5.382 10.288 8.617 134 HA PRO 48 HA PRO 48 -3.425 12.761 5.229 135 HB2 PRO 48 HB2 PRO 48 -4.003 15.291 5.887 136 HB3 PRO 48 HB3 PRO 48 -4.220 13.989 7.103 137 HG2 PRO 48 HG2 PRO 48 -2.012 15.675 6.632 138 HG3 PRO 48 HG3 PRO 48 -2.522 15.570 8.349 139 HD2 PRO 48 HD2 PRO 48 -0.391 14.168 7.530 140 HD3 PRO 48 HD3 PRO 48 -1.621 13.335 8.528 141 H GLU 49 HN GLU 49 -0.264 13.260 4.809 142 HA GLU 49 HA GLU 49 -0.731 15.156 2.641 143 HB2 GLU 49 HB2 GLU 49 1.921 14.769 4.085 144 HB3 GLU 49 HB3 GLU 49 1.518 16.019 2.925 145 HG2 GLU 49 HG2 GLU 49 -0.325 15.892 5.258 146 HG3 GLU 49 HG3 GLU 49 1.329 16.289 5.677 147 HE2 GLU 49 HE2 GLU 49 -0.280 18.653 5.873 148 H LYS 50 HN LYS 50 -0.202 11.955 3.443 149 HA LYS 50 HA LYS 50 1.170 11.484 0.889 150 HB2 LYS 50 HB2 LYS 50 1.474 9.701 3.309 151 HB3 LYS 50 HB3 LYS 50 2.409 9.694 1.828 152 HG2 LYS 50 HG2 LYS 50 2.336 12.172 3.584 153 HG3 LYS 50 HG3 LYS 50 3.417 10.847 3.968 154 HD2 LYS 50 HD2 LYS 50 4.837 11.352 2.251 155 HD3 LYS 50 HD3 LYS 50 3.526 11.574 1.110 156 HE2 LYS 50 HE2 LYS 50 3.941 13.806 1.219 157 HE3 LYS 50 HE3 LYS 50 3.254 13.778 2.831 158 HZ1 LYS 50 HZ1 LYS 50 5.531 13.223 3.660 159 HZ2 LYS 50 HZ2 LYS 50 6.125 13.431 2.158 160 H THR 51 HN THR 51 -0.911 11.377 -0.148 161 HA THR 51 HA THR 51 -2.661 9.228 0.788 162 HB THR 51 HB THR 51 -4.326 10.325 -0.589 163 HG1 THR 51 HG1 THR 51 -3.356 12.160 -1.977 164 HG22 THR 51 HG2 THR 51 -4.127 12.761 -0.006 165 HG22 THR 51 HG2 THR 51 -3.798 11.724 1.402 166 HG22 THR 51 HG2 THR 51 -2.450 12.480 0.519 167 H LEU 52 HN LEU 52 -3.799 8.081 -1.242 168 HA LEU 52 HA LEU 52 -1.575 6.761 -2.558 169 HB2 LEU 52 HB2 LEU 52 -4.512 6.093 -2.336 170 HB3 LEU 52 HB3 LEU 52 -3.344 5.134 -3.223 171 HG LEU 52 HG LEU 52 -3.303 5.677 -0.241 172 HD11 LEU 52 HD1 LEU 52 -4.677 3.709 -1.833 173 HD11 LEU 52 HD1 LEU 52 -3.478 2.918 -0.781 174 HD11 LEU 52 HD1 LEU 52 -4.720 3.979 -0.074 175 HD22 LEU 52 HD2 LEU 52 -1.323 4.404 -2.082 176 HD22 LEU 52 HD2 LEU 52 -1.067 5.417 -0.641 177 HD22 LEU 52 HD2 LEU 52 -1.548 3.713 -0.458 178 H ALA 53 HN ALA 53 -2.790 9.583 -3.176 179 HA ALA 53 HA ALA 53 -3.900 9.238 -5.790 180 HB1 ALA 53 HB1 ALA 53 -3.479 11.361 -3.828 181 HB2 ALA 53 HB2 ALA 53 -3.066 11.897 -5.474 182 HB3 ALA 53 HB3 ALA 53 -4.685 11.243 -5.132 183 H ARG 54 HN ARG 54 -2.839 9.127 -7.721 184 HA ARG 54 HA ARG 54 -0.210 8.551 -7.841 185 HB2 ARG 54 HB2 ARG 54 -1.929 8.242 -9.676 186 HB3 ARG 54 HB3 ARG 54 -1.835 9.958 -10.020 187 HG2 ARG 54 HG2 ARG 54 0.778 9.483 -10.227 188 HG3 ARG 54 HG3 ARG 54 0.266 7.822 -10.457 189 HD2 ARG 54 HD2 ARG 54 -0.225 8.280 -12.625 190 HD3 ARG 54 HD3 ARG 54 -1.446 9.424 -12.105 191 HE ARG 54 HE ARG 54 0.887 10.871 -11.821 192 H ALA 55 HN ALA 55 -1.823 11.761 -8.332 193 HA ALA 55 HA ALA 55 0.204 13.309 -9.165 194 HB1 ALA 55 HB1 ALA 55 -1.682 14.064 -6.902 195 HB2 ALA 55 HB2 ALA 55 -0.947 15.146 -8.110 196 HB3 ALA 55 HB3 ALA 55 -2.178 13.960 -8.608 197 H ARG 56 HN ARG 56 -0.298 12.023 -5.840 198 HA ARG 56 HA ARG 56 2.056 13.398 -4.961 199 HB2 ARG 56 HB2 ARG 56 -0.054 11.659 -3.649 200 HB3 ARG 56 HB3 ARG 56 1.463 11.922 -2.812 201 HG2 ARG 56 HG2 ARG 56 -0.085 14.279 -3.939 202 HG3 ARG 56 HG3 ARG 56 -0.542 13.583 -2.397 203 HD2 ARG 56 HD2 ARG 56 1.790 13.936 -1.547 204 HD3 ARG 56 HD3 ARG 56 2.247 14.631 -3.089 205 HE ARG 56 HE ARG 56 1.251 16.631 -2.423 206 H ARG 57 HN ARG 57 0.877 10.018 -5.511 207 HA ARG 57 HA ARG 57 3.098 8.715 -4.601 208 HB2 ARG 57 HB2 ARG 57 0.725 8.097 -6.160 209 HB3 ARG 57 HB3 ARG 57 2.096 7.288 -6.893 210 HG2 ARG 57 HG2 ARG 57 1.966 5.702 -5.280 211 HG3 ARG 57 HG3 ARG 57 2.440 6.909 -4.102 212 HD2 ARG 57 HD2 ARG 57 0.334 5.926 -3.365 213 HD3 ARG 57 HD3 ARG 57 0.013 7.577 -3.858 214 HE ARG 57 HE ARG 57 -1.330 6.765 -5.590 215 H GLU 58 HN GLU 58 2.708 10.770 -7.368 216 HA GLU 58 HA GLU 58 4.700 9.509 -8.953 217 HB2 GLU 58 HB2 GLU 58 4.067 10.996 -10.585 218 HB3 GLU 58 HB3 GLU 58 2.659 11.172 -9.557 219 HG2 GLU 58 HG2 GLU 58 3.710 13.134 -8.430 220 HG3 GLU 58 HG3 GLU 58 5.142 12.948 -9.422 221 HE2 GLU 58 HE2 GLU 58 1.893 14.746 -10.313 222 H ALA 59 HN ALA 59 4.482 12.437 -6.838 223 HA ALA 59 HA ALA 59 6.964 13.496 -7.290 224 HB1 ALA 59 HB1 ALA 59 6.721 14.311 -4.881 225 HB2 ALA 59 HB2 ALA 59 5.355 14.670 -5.965 226 HB3 ALA 59 HB3 ALA 59 5.237 13.332 -4.796 227 H ASN 60 HN ASN 60 6.033 10.996 -4.820 228 HA ASN 60 HA ASN 60 8.746 10.621 -4.113 229 HB2 ASN 60 HB2 ASN 60 6.129 9.208 -3.452 230 HB3 ASN 60 HB3 ASN 60 7.654 8.519 -2.933 231 HD21 ASN 60 HD2 ASN 60 6.638 11.907 -3.256 232 HD21 ASN 60 HD2 ASN 60 6.857 12.366 -1.601 233 H GLY 61 HN GLY 61 6.320 9.147 -6.288 234 HA2 GLY 61 HA1 GLY 61 6.768 7.868 -8.145 235 HA3 GLY 61 HA2 GLY 61 8.401 7.576 -7.579 236 H ILE 62 HN ILE 62 4.945 6.700 -7.079 237 HA ILE 62 HA ILE 62 5.842 4.042 -6.305 238 HB ILE 62 HB ILE 62 3.868 5.642 -4.673 239 HG12 ILE 62 HG1 ILE 62 6.792 5.051 -4.299 240 HG13 ILE 62 HG1 ILE 62 5.929 6.562 -4.092 241 HG22 ILE 62 HG2 ILE 62 5.001 3.083 -3.690 242 HG22 ILE 62 HG2 ILE 62 3.374 3.779 -3.494 243 HG22 ILE 62 HG2 ILE 62 3.820 2.974 -5.018 244 HD11 ILE 62 HD1 ILE 62 6.169 4.235 -2.216 245 HD11 ILE 62 HD1 ILE 62 6.134 5.980 -1.865 246 HD11 ILE 62 HD1 ILE 62 4.620 5.113 -2.219 247 H ARG 63 HN ARG 63 5.107 4.382 -8.792 248 HA ARG 63 HA ARG 63 2.263 3.755 -8.800 249 HB2 ARG 63 HB2 ARG 63 3.783 4.714 -11.252 250 HB3 ARG 63 HB3 ARG 63 2.057 4.776 -10.955 251 HG2 ARG 63 HG2 ARG 63 2.288 6.879 -10.147 252 HG3 ARG 63 HG3 ARG 63 3.259 6.252 -8.830 253 HD2 ARG 63 HD2 ARG 63 4.514 6.750 -11.552 254 HD3 ARG 63 HD3 ARG 63 4.299 8.073 -10.423 255 HE ARG 63 HE ARG 63 5.514 6.228 -8.826 256 H THR 64 HN THR 64 3.553 1.572 -8.165 257 HA THR 64 HA THR 64 3.539 -0.023 -10.569 258 HB THR 64 HB THR 64 5.876 -0.916 -10.032 259 HG1 THR 64 HG1 THR 64 6.452 -0.137 -8.030 260 HG22 THR 64 HG2 THR 64 7.104 0.922 -11.041 261 HG22 THR 64 HG2 THR 64 5.486 0.939 -11.782 262 HG22 THR 64 HG2 THR 64 5.890 2.106 -10.500 263 H VAL 65 HN VAL 65 3.337 -2.286 -10.153 264 HA VAL 65 HA VAL 65 1.857 -2.797 -7.812 265 HB VAL 65 HB VAL 65 3.002 -4.517 -10.008 266 HG11 VAL 65 HG1 VAL 65 2.185 -5.396 -7.424 267 HG11 VAL 65 HG1 VAL 65 0.921 -5.876 -8.582 268 HG11 VAL 65 HG1 VAL 65 2.608 -6.378 -8.847 269 HG22 VAL 65 HG2 VAL 65 0.206 -4.662 -9.963 270 HG22 VAL 65 HG2 VAL 65 0.579 -2.953 -9.636 271 HG22 VAL 65 HG2 VAL 65 1.215 -3.738 -11.101 272 H ARG 66 HN ARG 66 5.169 -3.793 -8.911 273 HA ARG 66 HA ARG 66 5.853 -5.343 -6.842 274 HB2 ARG 66 HB2 ARG 66 7.547 -3.272 -8.320 275 HB3 ARG 66 HB3 ARG 66 8.241 -4.468 -7.244 276 HG2 ARG 66 HG2 ARG 66 6.451 -5.849 -9.032 277 HG3 ARG 66 HG3 ARG 66 7.448 -4.785 -10.004 278 HD2 ARG 66 HD2 ARG 66 9.378 -5.801 -8.362 279 HD3 ARG 66 HD3 ARG 66 8.256 -7.147 -8.337 280 HE ARG 66 HE ARG 66 8.721 -7.571 -10.604 281 H ASP 67 HN ASP 67 6.697 -1.797 -7.040 282 HA ASP 67 HA ASP 67 7.728 -1.344 -4.690 283 HB2 ASP 67 HB2 ASP 67 5.637 0.224 -6.222 284 HB3 ASP 67 HB3 ASP 67 6.202 0.841 -4.683 285 HD2 ASP 67 HD2 ASP 67 7.090 2.562 -5.693 286 H VAL 68 HN VAL 68 4.227 -1.899 -5.367 287 HA VAL 68 HA VAL 68 3.543 -1.547 -2.577 288 HB VAL 68 HB VAL 68 1.889 -2.321 -4.989 289 HG11 VAL 68 HG1 VAL 68 0.025 -1.415 -3.407 290 HG11 VAL 68 HG1 VAL 68 0.631 -3.074 -3.181 291 HG11 VAL 68 HG1 VAL 68 1.193 -1.767 -2.111 292 HG22 VAL 68 HG2 VAL 68 3.092 0.076 -4.635 293 HG22 VAL 68 HG2 VAL 68 1.512 -0.127 -5.431 294 HG22 VAL 68 HG2 VAL 68 1.591 0.347 -3.717 295 H ALA 69 HN ALA 69 5.433 -3.473 -2.614 296 HA ALA 69 HA ALA 69 4.000 -5.721 -1.642 297 HB1 ALA 69 HB1 ALA 69 4.283 -5.793 -4.359 298 HB2 ALA 69 HB2 ALA 69 5.793 -6.584 -3.846 299 HB3 ALA 69 HB3 ALA 69 4.224 -7.240 -3.324 300 H ALA 70 HN ALA 70 7.087 -4.324 -2.879 301 HA ALA 70 HA ALA 70 8.674 -5.946 -1.144 302 HB1 ALA 70 HB1 ALA 70 10.390 -4.077 -1.924 303 HB2 ALA 70 HB2 ALA 70 9.821 -5.323 -3.061 304 HB3 ALA 70 HB3 ALA 70 9.102 -3.695 -3.092 305 H TYR 71 HN TYR 71 8.143 -2.403 -1.357 306 HA TYR 71 HA TYR 71 9.245 -1.608 1.033 307 HB2 TYR 71 HB2 TYR 71 7.174 -0.629 -0.802 308 HB3 TYR 71 HB3 TYR 71 6.942 -0.071 0.863 309 HD1 TYR 71 HD1 TYR 71 7.774 2.049 1.227 310 HD2 TYR 71 HD2 TYR 71 9.913 -0.602 -1.389 311 HE1 TYR 71 HE1 TYR 71 9.511 3.786 0.888 312 HE2 TYR 71 HE2 TYR 71 11.651 1.135 -1.728 313 HH TYR 71 HH TYR 71 11.656 3.882 -1.521 314 H ILE 72 HN ILE 72 5.737 -2.572 0.593 315 HA ILE 72 HA ILE 72 4.888 -2.319 3.121 316 HB ILE 72 HB ILE 72 3.378 -4.223 2.664 317 HG12 ILE 72 HG1 ILE 72 4.558 -4.536 -0.068 318 HG13 ILE 72 HG1 ILE 72 5.328 -5.373 1.265 319 HG22 ILE 72 HG2 ILE 72 3.776 -2.163 0.482 320 HG22 ILE 72 HG2 ILE 72 2.346 -3.215 0.615 321 HG22 ILE 72 HG2 ILE 72 2.721 -2.055 1.912 322 HD11 ILE 72 HD1 ILE 72 3.759 -6.990 0.976 323 HD11 ILE 72 HD1 ILE 72 2.605 -5.853 1.713 324 HD11 ILE 72 HD1 ILE 72 2.763 -5.937 -0.058 325 H ARG 73 HN ARG 73 7.104 -4.823 1.849 326 HA ARG 73 HA ARG 73 6.995 -6.495 4.032 327 HB2 ARG 73 HB2 ARG 73 8.133 -6.824 1.709 328 HB3 ARG 73 HB3 ARG 73 9.510 -5.978 2.385 329 HG2 ARG 73 HG2 ARG 73 8.370 -8.247 4.001 330 HG3 ARG 73 HG3 ARG 73 9.241 -8.668 2.540 331 HD2 ARG 73 HD2 ARG 73 11.026 -6.898 3.540 332 HD3 ARG 73 HD3 ARG 73 10.266 -7.355 5.051 333 HE ARG 73 HE ARG 73 11.034 -9.620 3.328 334 H ASN 74 HN ASN 74 9.616 -4.101 3.183 335 HA ASN 74 HA ASN 74 9.960 -3.729 6.054 336 HB2 ASN 74 HB2 ASN 74 11.832 -5.018 4.707 337 HB3 ASN 74 HB3 ASN 74 12.232 -3.447 4.041 338 HD21 ASN 74 HD2 ASN 74 14.231 -4.384 5.261 339 HD21 ASN 74 HD2 ASN 74 14.480 -3.778 6.864 340 HA PRO 75 HA PRO 75 9.192 0.317 3.932 341 HB2 PRO 75 HB2 PRO 75 6.986 1.067 5.343 342 HB3 PRO 75 HB3 PRO 75 6.893 -0.129 4.009 343 HG2 PRO 75 HG2 PRO 75 6.921 -0.560 6.883 344 HG3 PRO 75 HG3 PRO 75 5.964 -1.481 5.676 345 HD2 PRO 75 HD2 PRO 75 8.380 -2.338 6.864 346 HD3 PRO 75 HD3 PRO 75 7.741 -2.946 5.307 347 H GLY 76 HN GLY 76 8.935 2.599 5.131 348 HA2 GLY 76 HA1 GLY 76 10.880 2.546 7.306 349 HA3 GLY 76 HA2 GLY 76 10.344 3.936 6.385 350 HA PRO 77 HA PRO 77 8.496 3.936 10.721 351 HB2 PRO 77 HB2 PRO 77 9.176 6.839 10.238 352 HB3 PRO 77 HB3 PRO 77 9.411 5.808 11.687 353 HG2 PRO 77 HG2 PRO 77 11.532 6.445 10.077 354 HG3 PRO 77 HG3 PRO 77 11.228 4.918 10.969 355 HD2 PRO 77 HD2 PRO 77 10.825 5.591 8.016 356 HD3 PRO 77 HD3 PRO 77 11.499 4.105 8.750 357 H GLY 78 HN GLY 78 6.381 4.862 11.295 358 HA2 GLY 78 HA1 GLY 78 4.524 6.199 10.830 359 HA3 GLY 78 HA2 GLY 78 5.057 6.392 9.172 360 H MET 79 HN MET 79 5.682 3.530 8.716 361 HA MET 79 HA MET 79 2.954 2.493 8.811 362 HB2 MET 79 HB2 MET 79 4.095 3.298 6.522 363 HB3 MET 79 HB3 MET 79 4.946 1.769 6.625 364 HG2 MET 79 HG2 MET 79 2.924 0.493 6.494 365 HG3 MET 79 HG3 MET 79 1.921 1.866 6.918 366 HE1 MET 79 HE1 MET 79 3.520 0.586 2.913 367 HE2 MET 79 HE2 MET 79 3.877 -0.059 4.534 368 HE3 MET 79 HE3 MET 79 2.250 -0.251 3.838 369 HA PRO 80 HA PRO 80 4.586 -0.874 11.122 370 HB2 PRO 80 HB2 PRO 80 2.365 -2.385 9.747 371 HB3 PRO 80 HB3 PRO 80 2.726 -2.165 11.491 372 HG2 PRO 80 HG2 PRO 80 0.663 -0.796 10.303 373 HG3 PRO 80 HG3 PRO 80 1.772 -0.292 11.620 374 HD2 PRO 80 HD2 PRO 80 1.802 0.403 8.643 375 HD3 PRO 80 HD3 PRO 80 2.070 1.475 10.051 376 H ALA 81 HN ALA 81 3.979 -3.625 9.895 377 HA ALA 81 HA ALA 81 5.540 -3.529 7.456 378 HB1 ALA 81 HB1 ALA 81 7.484 -3.987 8.492 379 HB2 ALA 81 HB2 ALA 81 6.671 -4.166 10.065 380 HB3 ALA 81 HB3 ALA 81 6.785 -5.556 8.959 381 H PHE 82 HN PHE 82 5.753 -5.898 6.587 382 HA PHE 82 HA PHE 82 3.700 -7.662 7.571 383 HB2 PHE 82 HB2 PHE 82 3.699 -6.363 4.780 384 HB3 PHE 82 HB3 PHE 82 2.639 -7.682 5.237 385 HD1 PHE 82 HD1 PHE 82 3.359 -4.115 5.708 386 HD2 PHE 82 HD2 PHE 82 0.712 -7.300 6.635 387 HE1 PHE 82 HE1 PHE 82 1.663 -2.464 6.542 388 HE2 PHE 82 HE2 PHE 82 -0.984 -5.648 7.468 389 HZ PHE 82 HZ PHE 82 -0.489 -3.250 7.412 390 H GLY 83 HN GLY 83 5.013 -9.440 7.773 391 HA2 GLY 83 HA1 GLY 83 6.921 -10.019 5.621 392 HA3 GLY 83 HA2 GLY 83 6.887 -10.722 7.225 393 H GLU 84 HN GLU 84 7.131 -12.762 5.819 394 HA GLU 84 HA GLU 84 4.760 -13.536 4.433 395 HB2 GLU 84 HB2 GLU 84 6.002 -15.606 3.938 396 HB3 GLU 84 HB3 GLU 84 6.997 -14.201 3.610 397 HG2 GLU 84 HG2 GLU 84 7.259 -15.151 6.399 398 HG3 GLU 84 HG3 GLU 84 7.708 -16.374 5.227 399 HE2 GLU 84 HE2 GLU 84 10.529 -14.694 6.130 400 H ALA 85 HN ALA 85 5.205 -13.108 7.595 401 HA ALA 85 HA ALA 85 4.585 -15.644 8.696 402 HB1 ALA 85 HB1 ALA 85 4.269 -12.818 9.788 403 HB2 ALA 85 HB2 ALA 85 4.176 -14.314 10.748 404 HB3 ALA 85 HB3 ALA 85 5.705 -13.856 9.960 405 H MET 86 HN MET 86 2.691 -12.792 7.588 406 HA MET 86 HA MET 86 0.302 -14.404 8.055 407 HB2 MET 86 HB2 MET 86 0.647 -12.139 9.315 408 HB3 MET 86 HB3 MET 86 0.438 -11.359 7.760 409 HG2 MET 86 HG2 MET 86 -1.823 -12.199 7.529 410 HG3 MET 86 HG3 MET 86 -1.619 -13.325 8.856 411 HE1 MET 86 HE1 MET 86 -0.558 -10.893 11.594 412 HE2 MET 86 HE2 MET 86 -1.937 -11.990 11.844 413 HE3 MET 86 HE3 MET 86 -0.518 -12.540 10.920 414 H ILE 87 HN ILE 87 1.707 -11.818 5.918 415 HA ILE 87 HA ILE 87 0.168 -13.021 3.721 416 HB ILE 87 HB ILE 87 0.962 -10.127 4.066 417 HG12 ILE 87 HG1 ILE 87 -1.507 -11.643 4.796 418 HG13 ILE 87 HG1 ILE 87 -0.721 -10.312 5.620 419 HG22 ILE 87 HG2 ILE 87 0.836 -11.007 1.714 420 HG22 ILE 87 HG2 ILE 87 -0.886 -11.351 2.006 421 HG22 ILE 87 HG2 ILE 87 -0.286 -9.677 2.089 422 HD11 ILE 87 HD1 ILE 87 -2.398 -10.165 3.079 423 HD11 ILE 87 HD1 ILE 87 -2.767 -9.448 4.665 424 HD11 ILE 87 HD1 ILE 87 -1.428 -8.802 3.686 425 HA PRO 88 HA PRO 88 4.270 -13.957 2.317 426 HB2 PRO 88 HB2 PRO 88 3.509 -15.494 0.203 427 HB3 PRO 88 HB3 PRO 88 3.291 -16.045 1.896 428 HG2 PRO 88 HG2 PRO 88 1.631 -14.710 0.186 429 HG3 PRO 88 HG3 PRO 88 0.868 -16.141 0.952 430 HD2 PRO 88 HD2 PRO 88 0.206 -13.823 1.962 431 HD3 PRO 88 HD3 PRO 88 0.901 -14.984 3.134 432 HA PRO 89 HA PRO 89 5.083 -10.772 -0.593 433 HB2 PRO 89 HB2 PRO 89 6.924 -12.180 -2.214 434 HB3 PRO 89 HB3 PRO 89 7.299 -11.332 -0.678 435 HG2 PRO 89 HG2 PRO 89 6.730 -14.217 -1.115 436 HG3 PRO 89 HG3 PRO 89 8.024 -13.578 -0.049 437 HD2 PRO 89 HD2 PRO 89 5.739 -14.395 1.060 438 HD3 PRO 89 HD3 PRO 89 6.377 -12.796 1.549 439 H ALA 90 HN ALA 90 4.534 -14.134 -1.901 440 HA ALA 90 HA ALA 90 3.848 -13.274 -4.474 441 HB1 ALA 90 HB1 ALA 90 2.644 -15.588 -4.437 442 HB2 ALA 90 HB2 ALA 90 4.412 -15.542 -4.233 443 HB3 ALA 90 HB3 ALA 90 3.358 -15.754 -2.815 444 H ASP 91 HN ASP 91 2.080 -13.431 -1.394 445 HA ASP 91 HA ASP 91 -0.442 -13.118 -2.671 446 HB2 ASP 91 HB2 ASP 91 0.548 -13.038 0.201 447 HB3 ASP 91 HB3 ASP 91 -1.099 -12.575 -0.179 448 HD2 ASP 91 HD2 ASP 91 -2.193 -15.343 0.456 449 H ALA 92 HN ALA 92 2.237 -11.114 -1.897 450 HA ALA 92 HA ALA 92 0.724 -8.753 -1.244 451 HB1 ALA 92 HB1 ALA 92 2.946 -7.699 -1.186 452 HB2 ALA 92 HB2 ALA 92 2.951 -9.220 -0.263 453 HB3 ALA 92 HB3 ALA 92 3.672 -9.164 -1.889 454 H LEU 93 HN LEU 93 2.401 -10.220 -4.063 455 HA LEU 93 HA LEU 93 2.268 -7.988 -5.727 456 HB2 LEU 93 HB2 LEU 93 2.350 -10.948 -6.304 457 HB3 LEU 93 HB3 LEU 93 2.448 -9.719 -7.549 458 HG LEU 93 HG LEU 93 4.390 -9.848 -5.234 459 HD11 LEU 93 HD1 LEU 93 5.541 -10.755 -7.709 460 HD11 LEU 93 HD1 LEU 93 5.464 -11.569 -6.128 461 HD11 LEU 93 HD1 LEU 93 4.131 -11.759 -7.292 462 HD22 LEU 93 HD2 LEU 93 4.070 -7.717 -6.619 463 HD22 LEU 93 HD2 LEU 93 5.725 -8.345 -6.435 464 HD22 LEU 93 HD2 LEU 93 4.833 -8.618 -7.951 465 H LYS 94 HN LYS 94 -0.220 -9.967 -4.397 466 HA LYS 94 HA LYS 94 -2.041 -9.504 -6.595 467 HB2 LYS 94 HB2 LYS 94 -2.184 -11.643 -5.541 468 HB3 LYS 94 HB3 LYS 94 -2.276 -10.936 -3.940 469 HG2 LYS 94 HG2 LYS 94 -4.385 -9.745 -5.474 470 HG3 LYS 94 HG3 LYS 94 -4.429 -11.462 -5.821 471 HD2 LYS 94 HD2 LYS 94 -4.030 -10.800 -2.943 472 HD3 LYS 94 HD3 LYS 94 -5.570 -10.279 -3.598 473 HE2 LYS 94 HE2 LYS 94 -4.576 -13.094 -4.144 474 HE3 LYS 94 HE3 LYS 94 -5.331 -12.721 -2.608 475 HZ1 LYS 94 HZ1 LYS 94 -7.339 -12.157 -3.684 476 HZ2 LYS 94 HZ2 LYS 94 -6.657 -12.004 -5.154 477 H ILE 95 HN ILE 95 -1.131 -8.129 -3.460 478 HA ILE 95 HA ILE 95 -3.508 -6.603 -3.157 479 HB ILE 95 HB ILE 95 -0.787 -6.200 -1.913 480 HG12 ILE 95 HG1 ILE 95 -1.698 -8.527 -1.658 481 HG13 ILE 95 HG1 ILE 95 -1.418 -7.665 -0.158 482 HG22 ILE 95 HG2 ILE 95 -3.352 -4.843 -1.646 483 HG22 ILE 95 HG2 ILE 95 -2.757 -5.485 -0.096 484 HG22 ILE 95 HG2 ILE 95 -1.739 -4.380 -1.052 485 HD11 ILE 95 HD1 ILE 95 -3.950 -8.646 -1.310 486 HD11 ILE 95 HD1 ILE 95 -3.558 -8.226 0.375 487 HD11 ILE 95 HD1 ILE 95 -4.044 -6.952 -0.770 488 H GLY 96 HN GLY 96 -0.209 -5.999 -4.492 489 HA2 GLY 96 HA1 GLY 96 -0.298 -3.311 -4.942 490 HA3 GLY 96 HA2 GLY 96 0.486 -4.471 -5.994 491 H GLU 97 HN GLU 97 -2.225 -5.858 -6.486 492 HA GLU 97 HA GLU 97 -2.828 -4.412 -8.803 493 HB2 GLU 97 HB2 GLU 97 -4.614 -6.522 -7.541 494 HB3 GLU 97 HB3 GLU 97 -4.437 -6.140 -9.242 495 HG2 GLU 97 HG2 GLU 97 -1.929 -6.820 -8.938 496 HG3 GLU 97 HG3 GLU 97 -2.439 -7.537 -7.423 497 HE2 GLU 97 HE2 GLU 97 -3.604 -10.323 -8.878 498 H TYR 98 HN TYR 98 -4.591 -4.984 -5.739 499 HA TYR 98 HA TYR 98 -6.919 -3.559 -6.211 500 HB2 TYR 98 HB2 TYR 98 -6.347 -4.904 -4.185 501 HB3 TYR 98 HB3 TYR 98 -5.302 -3.581 -3.641 502 HD1 TYR 98 HD1 TYR 98 -6.176 -1.979 -2.209 503 HD2 TYR 98 HD2 TYR 98 -8.842 -4.206 -4.737 504 HE1 TYR 98 HE1 TYR 98 -8.119 -0.891 -1.118 505 HE2 TYR 98 HE2 TYR 98 -10.785 -3.118 -3.645 506 HH TYR 98 HH TYR 98 -11.488 -1.696 -1.998 507 H VAL 99 HN VAL 99 -3.613 -2.305 -5.747 508 HA VAL 99 HA VAL 99 -4.706 0.390 -5.491 509 HB VAL 99 HB VAL 99 -1.926 -0.756 -5.184 510 HG11 VAL 99 HG1 VAL 99 -1.286 1.333 -5.798 511 HG11 VAL 99 HG1 VAL 99 -2.878 2.045 -5.444 512 HG11 VAL 99 HG1 VAL 99 -1.732 1.724 -4.120 513 HG22 VAL 99 HG2 VAL 99 -3.773 -1.135 -3.405 514 HG22 VAL 99 HG2 VAL 99 -2.190 -0.520 -2.873 515 HG22 VAL 99 HG2 VAL 99 -3.566 0.595 -3.043 516 H VAL 100 HN VAL 100 -5.066 -1.149 -7.966 517 HA VAL 100 HA VAL 100 -3.805 0.765 -9.734 518 HB VAL 100 HB VAL 100 -3.388 -2.221 -9.944 519 HG11 VAL 100 HG1 VAL 100 -3.419 -0.121 -12.011 520 HG11 VAL 100 HG1 VAL 100 -1.939 -1.110 -11.994 521 HG11 VAL 100 HG1 VAL 100 -3.529 -1.890 -12.167 522 HG22 VAL 100 HG2 VAL 100 -1.408 0.073 -9.731 523 HG22 VAL 100 HG2 VAL 100 -1.831 -1.067 -8.432 524 HG22 VAL 100 HG2 VAL 100 -1.002 -1.652 -9.895 525 H ALA 101 HN ALA 101 -6.522 -0.072 -8.568 526 HA ALA 101 HA ALA 101 -7.840 -0.304 -11.176 527 HB1 ALA 101 HB1 ALA 101 -8.049 -2.075 -8.789 528 HB2 ALA 101 HB2 ALA 101 -9.585 -1.614 -9.559 529 HB3 ALA 101 HB3 ALA 101 -8.325 -2.436 -10.509 530 H SER 102 HN SER 102 -7.119 2.054 -9.599 531 HA SER 102 HA SER 102 -9.687 3.206 -9.524 532 HB2 SER 102 HB2 SER 102 -9.270 4.016 -7.037 533 HB3 SER 102 HB3 SER 102 -10.061 2.483 -7.346 534 HG SER 102 HG SER 102 -8.092 2.670 -5.773 535 H PHE 103 HN PHE 103 -6.213 3.342 -8.568 536 HA PHE 103 HA PHE 103 -5.945 5.822 -9.987 537 HB2 PHE 103 HB2 PHE 103 -4.721 6.588 -7.664 538 HB3 PHE 103 HB3 PHE 103 -6.406 6.953 -7.977 539 HD1 PHE 103 HD1 PHE 103 -4.755 3.765 -6.953 540 HD2 PHE 103 HD2 PHE 103 -7.516 6.828 -5.953 541 HE1 PHE 103 HE1 PHE 103 -5.411 2.499 -4.887 542 HE2 PHE 103 HE2 PHE 103 -8.173 5.562 -3.888 543 HZ PHE 103 HZ PHE 103 -7.113 3.413 -3.380 544 HA PRO 104 HA PRO 104 -2.485 2.705 -10.189 545 HB2 PRO 104 HB2 PRO 104 -2.587 3.859 -12.983 546 HB3 PRO 104 HB3 PRO 104 -2.403 2.164 -12.423 547 HG2 PRO 104 HG2 PRO 104 -4.986 2.909 -13.345 548 HG3 PRO 104 HG3 PRO 104 -4.405 1.938 -11.953 549 HD2 PRO 104 HD2 PRO 104 -5.133 4.933 -12.030 550 HD3 PRO 104 HD3 PRO 104 -5.920 3.652 -11.059 Start of MODEL 3 1 H ALA 25 HN ALA 25 -9.572 -7.778 -7.072 2 HA ALA 25 HA ALA 25 -11.579 -8.328 -5.670 3 HB1 ALA 25 HB1 ALA 25 -11.847 -10.854 -7.208 4 HB2 ALA 25 HB2 ALA 25 -13.095 -9.842 -6.442 5 HB3 ALA 25 HB3 ALA 25 -12.441 -9.394 -8.035 6 H GLY 26 HN GLY 26 -11.021 -9.539 -3.853 7 HA2 GLY 26 HA1 GLY 26 -9.952 -11.316 -2.773 8 HA3 GLY 26 HA2 GLY 26 -8.883 -11.528 -4.145 9 H GLY 27 HN GLY 27 -7.493 -9.410 -4.664 10 HA2 GLY 27 HA1 GLY 27 -5.722 -9.022 -2.570 11 HA3 GLY 27 HA2 GLY 27 -5.866 -8.014 -3.996 12 H GLY 28 HN GLY 28 -8.772 -7.356 -3.373 13 HA2 GLY 28 HA1 GLY 28 -8.268 -5.019 -1.820 14 HA3 GLY 28 HA2 GLY 28 -9.805 -5.568 -2.460 15 H GLU 29 HN GLU 29 -10.097 -8.110 -1.276 16 HA GLU 29 HA GLU 29 -11.165 -7.462 1.141 17 HB2 GLU 29 HB2 GLU 29 -11.704 -9.501 -0.191 18 HB3 GLU 29 HB3 GLU 29 -10.147 -10.189 0.225 19 HG2 GLU 29 HG2 GLU 29 -10.762 -10.077 2.659 20 HG3 GLU 29 HG3 GLU 29 -12.330 -9.426 2.223 21 HE2 GLU 29 HE2 GLU 29 -13.837 -10.880 1.612 22 H LEU 30 HN LEU 30 -7.830 -7.980 0.293 23 HA LEU 30 HA LEU 30 -7.063 -8.626 3.012 24 HB2 LEU 30 HB2 LEU 30 -5.377 -8.175 0.546 25 HB3 LEU 30 HB3 LEU 30 -4.815 -8.783 2.090 26 HG LEU 30 HG LEU 30 -6.615 -10.154 0.090 27 HD11 LEU 30 HD1 LEU 30 -4.003 -10.150 0.025 28 HD11 LEU 30 HD1 LEU 30 -4.158 -11.329 1.350 29 HD11 LEU 30 HD1 LEU 30 -4.904 -11.664 -0.231 30 HD22 LEU 30 HD2 LEU 30 -7.588 -10.485 2.317 31 HD22 LEU 30 HD2 LEU 30 -6.901 -11.992 1.665 32 HD22 LEU 30 HD2 LEU 30 -6.020 -11.080 2.915 33 H PHE 31 HN PHE 31 -6.901 -5.925 0.637 34 HA PHE 31 HA PHE 31 -5.371 -4.255 2.319 35 HB2 PHE 31 HB2 PHE 31 -5.501 -3.907 -0.109 36 HB3 PHE 31 HB3 PHE 31 -7.253 -3.918 -0.079 37 HD1 PHE 31 HD1 PHE 31 -4.401 -1.874 -0.190 38 HD2 PHE 31 HD2 PHE 31 -8.353 -1.995 1.352 39 HE1 PHE 31 HE1 PHE 31 -4.413 0.630 -0.025 40 HE2 PHE 31 HE2 PHE 31 -8.365 0.510 1.517 41 HZ PHE 31 HZ PHE 31 -6.395 1.792 0.827 42 H ALA 32 HN ALA 32 -8.792 -5.092 2.132 43 HA ALA 32 HA ALA 32 -9.542 -2.754 3.689 44 HB1 ALA 32 HB1 ALA 32 -11.248 -5.070 2.698 45 HB2 ALA 32 HB2 ALA 32 -11.807 -3.478 3.264 46 HB3 ALA 32 HB3 ALA 32 -10.900 -3.612 1.738 47 H THR 33 HN THR 33 -7.660 -4.273 5.051 48 HA THR 33 HA THR 33 -9.065 -4.888 7.418 49 HB THR 33 HB THR 33 -8.293 -7.146 5.545 50 HG1 THR 33 HG1 THR 33 -10.520 -6.706 5.780 51 HG22 THR 33 HG2 THR 33 -7.106 -7.998 7.402 52 HG22 THR 33 HG2 THR 33 -8.102 -7.100 8.572 53 HG22 THR 33 HG2 THR 33 -8.759 -8.547 7.770 54 H HIS 34 HN HIS 34 -6.104 -5.260 5.423 55 HA HIS 34 HA HIS 34 -4.562 -4.957 7.885 56 HB2 HIS 34 HB2 HIS 34 -3.619 -5.800 5.131 57 HB3 HIS 34 HB3 HIS 34 -2.666 -5.789 6.602 58 HD1 HIS 34 HD1 HIS 34 -3.375 -7.574 8.493 59 HD2 HIS 34 HD2 HIS 34 -5.147 -8.082 4.724 60 HE1 HIS 34 HE1 HIS 34 -4.328 -9.941 8.464 61 H CYS 35 HN CYS 35 -5.955 -3.133 5.433 62 HA CYS 35 HA CYS 35 -3.904 -1.079 5.794 63 HB2 CYS 35 HB2 CYS 35 -5.443 -1.315 3.224 64 HB3 CYS 35 HB3 CYS 35 -3.980 -0.409 3.557 65 H ALA 36 HN ALA 36 -7.309 -1.938 4.892 66 HA ALA 36 HA ALA 36 -8.552 0.421 4.868 67 HB1 ALA 36 HB1 ALA 36 -9.221 -2.333 5.611 68 HB2 ALA 36 HB2 ALA 36 -10.234 -1.140 6.460 69 HB3 ALA 36 HB3 ALA 36 -10.165 -1.144 4.681 70 H GLY 37 HN GLY 37 -7.159 -1.212 7.732 71 HA2 GLY 37 HA1 GLY 37 -8.276 0.702 9.583 72 HA3 GLY 37 HA2 GLY 37 -7.153 -0.598 9.927 73 H CYS 38 HN CYS 38 -6.963 2.176 7.588 74 HA CYS 38 HA CYS 38 -5.373 3.843 8.991 75 HB2 CYS 38 HB2 CYS 38 -3.862 1.460 8.289 76 HB3 CYS 38 HB3 CYS 38 -3.164 2.881 7.538 77 H HIS 39 HN HIS 39 -6.090 2.117 5.960 78 HA HIS 39 HA HIS 39 -5.724 4.653 4.536 79 HB2 HIS 39 HB2 HIS 39 -5.270 1.803 3.653 80 HB3 HIS 39 HB3 HIS 39 -5.539 3.086 2.491 81 HD1 HIS 39 HD1 HIS 39 -3.796 5.285 2.957 82 HD2 HIS 39 HD2 HIS 39 -2.628 1.459 4.220 83 HE1 HIS 39 HE1 HIS 39 -1.262 5.369 3.241 84 HA PRO 40 HA PRO 40 -10.212 3.391 4.671 85 HB2 PRO 40 HB2 PRO 40 -11.189 5.559 5.964 86 HB3 PRO 40 HB3 PRO 40 -10.359 4.246 6.860 87 HG2 PRO 40 HG2 PRO 40 -8.856 6.967 5.966 88 HG3 PRO 40 HG3 PRO 40 -9.184 6.083 7.492 89 HD2 PRO 40 HD2 PRO 40 -6.973 5.638 5.824 90 HD3 PRO 40 HD3 PRO 40 -7.663 4.399 6.915 91 H GLN 41 HN GLN 41 -10.916 3.688 2.549 92 HA GLN 41 HA GLN 41 -11.398 4.663 0.668 93 HB2 GLN 41 HB2 GLN 41 -12.207 6.600 2.741 94 HB3 GLN 41 HB3 GLN 41 -11.933 7.359 1.186 95 HG2 GLN 41 HG2 GLN 41 -13.349 5.206 0.334 96 HG3 GLN 41 HG3 GLN 41 -13.984 5.302 1.964 97 HE21 GLN 41 HE2 GLN 41 -14.659 6.118 -1.040 98 HE21 GLN 41 HE2 GLN 41 -15.513 7.613 -0.850 99 H GLY 42 HN GLY 42 -8.812 4.320 0.610 100 HA2 GLY 42 HA1 GLY 42 -6.776 5.092 0.004 101 HA3 GLY 42 HA2 GLY 42 -7.700 6.077 -1.113 102 H GLY 43 HN GLY 43 -7.989 6.424 2.433 103 HA2 GLY 43 HA1 GLY 43 -6.845 9.128 2.178 104 HA3 GLY 43 HA2 GLY 43 -8.000 8.595 3.383 105 H ASN 44 HN ASN 44 -6.643 9.311 5.135 106 HA ASN 44 HA ASN 44 -4.726 7.322 5.847 107 HB2 ASN 44 HB2 ASN 44 -3.924 10.253 5.469 108 HB3 ASN 44 HB3 ASN 44 -2.960 9.111 6.384 109 HD21 ASN 44 HD2 ASN 44 -1.466 8.017 5.360 110 HD21 ASN 44 HD2 ASN 44 -1.345 7.753 3.653 111 H THR 45 HN THR 45 -4.437 7.303 8.185 112 HA THR 45 HA THR 45 -6.135 9.250 9.604 113 HB THR 45 HB THR 45 -6.440 7.350 11.247 114 HG1 THR 45 HG1 THR 45 -5.214 5.810 9.091 115 HG22 THR 45 HG2 THR 45 -8.054 7.576 9.288 116 HG22 THR 45 HG2 THR 45 -7.008 6.466 8.370 117 HG22 THR 45 HG2 THR 45 -7.836 5.897 9.839 118 H VAL 46 HN VAL 46 -2.955 8.462 8.900 119 HA VAL 46 HA VAL 46 -2.078 9.389 11.546 120 HB VAL 46 HB VAL 46 -0.652 7.765 9.431 121 HG11 VAL 46 HG1 VAL 46 0.583 9.529 11.083 122 HG11 VAL 46 HG1 VAL 46 0.555 8.083 12.121 123 HG11 VAL 46 HG1 VAL 46 1.321 8.012 10.516 124 HG22 VAL 46 HG2 VAL 46 -2.429 6.630 10.858 125 HG22 VAL 46 HG2 VAL 46 -0.800 5.915 10.911 126 HG22 VAL 46 HG2 VAL 46 -1.369 6.936 12.254 127 H HIS 47 HN HIS 47 -1.237 9.547 8.010 128 HA HIS 47 HA HIS 47 -0.413 12.312 8.526 129 HB2 HIS 47 HB2 HIS 47 0.703 10.265 6.597 130 HB3 HIS 47 HB3 HIS 47 1.064 11.976 6.487 131 HD1 HIS 47 HD1 HIS 47 3.537 10.575 6.886 132 HD2 HIS 47 HD2 HIS 47 1.035 11.332 10.167 133 HE1 HIS 47 HE1 HIS 47 5.009 10.401 8.963 134 HA PRO 48 HA PRO 48 -3.780 13.057 5.709 135 HB2 PRO 48 HB2 PRO 48 -4.307 15.579 6.442 136 HB3 PRO 48 HB3 PRO 48 -4.541 14.246 7.619 137 HG2 PRO 48 HG2 PRO 48 -2.118 16.035 7.316 138 HG3 PRO 48 HG3 PRO 48 -2.931 15.672 8.873 139 HD2 PRO 48 HD2 PRO 48 -0.664 14.345 7.973 140 HD3 PRO 48 HD3 PRO 48 -1.904 13.555 8.993 141 H GLU 49 HN GLU 49 -0.592 13.578 5.323 142 HA GLU 49 HA GLU 49 -1.071 15.479 3.161 143 HB2 GLU 49 HB2 GLU 49 1.575 15.141 4.630 144 HB3 GLU 49 HB3 GLU 49 1.151 16.393 3.479 145 HG2 GLU 49 HG2 GLU 49 -0.710 16.202 5.792 146 HG3 GLU 49 HG3 GLU 49 0.932 16.628 6.234 147 HE2 GLU 49 HE2 GLU 49 -1.690 17.573 4.204 148 H LYS 50 HN LYS 50 -0.488 12.287 3.954 149 HA LYS 50 HA LYS 50 0.919 11.855 1.413 150 HB2 LYS 50 HB2 LYS 50 1.255 10.108 3.859 151 HB3 LYS 50 HB3 LYS 50 2.171 10.064 2.366 152 HG2 LYS 50 HG2 LYS 50 2.108 12.602 4.029 153 HG3 LYS 50 HG3 LYS 50 3.182 11.291 4.474 154 HD2 LYS 50 HD2 LYS 50 4.544 11.580 2.621 155 HD3 LYS 50 HD3 LYS 50 3.217 12.060 1.581 156 HE2 LYS 50 HE2 LYS 50 3.443 14.293 2.094 157 HE3 LYS 50 HE3 LYS 50 3.775 13.979 3.786 158 HZ1 LYS 50 HZ1 LYS 50 5.964 14.142 3.368 159 HZ2 LYS 50 HZ2 LYS 50 5.918 13.028 2.181 160 H THR 51 HN THR 51 -1.063 11.617 0.282 161 HA THR 51 HA THR 51 -2.783 9.435 1.223 162 HB THR 51 HB THR 51 -4.483 10.490 -0.152 163 HG1 THR 51 HG1 THR 51 -3.727 11.512 -1.966 164 HG22 THR 51 HG2 THR 51 -3.972 11.849 1.898 165 HG22 THR 51 HG2 THR 51 -2.721 12.726 0.985 166 HG22 THR 51 HG2 THR 51 -4.434 12.886 0.527 167 H LEU 52 HN LEU 52 -3.903 8.359 -0.905 168 HA LEU 52 HA LEU 52 -1.636 7.071 -2.179 169 HB2 LEU 52 HB2 LEU 52 -4.582 6.411 -2.098 170 HB3 LEU 52 HB3 LEU 52 -3.379 5.472 -2.958 171 HG LEU 52 HG LEU 52 -3.495 5.923 0.036 172 HD11 LEU 52 HD1 LEU 52 -5.101 4.282 -1.314 173 HD11 LEU 52 HD1 LEU 52 -3.679 3.218 -1.201 174 HD11 LEU 52 HD1 LEU 52 -4.428 3.863 0.280 175 HD22 LEU 52 HD2 LEU 52 -1.492 4.375 -1.627 176 HD22 LEU 52 HD2 LEU 52 -1.184 5.813 -0.625 177 HD22 LEU 52 HD2 LEU 52 -1.640 4.274 0.144 178 H ALA 53 HN ALA 53 -2.795 9.918 -2.754 179 HA ALA 53 HA ALA 53 -3.903 9.741 -5.354 180 HB1 ALA 53 HB1 ALA 53 -3.340 12.230 -5.335 181 HB2 ALA 53 HB2 ALA 53 -4.384 11.662 -4.010 182 HB3 ALA 53 HB3 ALA 53 -2.656 11.972 -3.712 183 H ARG 54 HN ARG 54 -2.914 9.522 -7.313 184 HA ARG 54 HA ARG 54 -0.373 8.659 -7.517 185 HB2 ARG 54 HB2 ARG 54 -2.113 8.524 -9.317 186 HB3 ARG 54 HB3 ARG 54 -1.951 10.244 -9.608 187 HG2 ARG 54 HG2 ARG 54 0.677 9.476 -9.824 188 HG3 ARG 54 HG3 ARG 54 -0.113 8.008 -10.363 189 HD2 ARG 54 HD2 ARG 54 -1.406 10.335 -11.572 190 HD3 ARG 54 HD3 ARG 54 0.320 10.387 -11.872 191 HE ARG 54 HE ARG 54 -0.207 7.791 -12.482 192 H ALA 55 HN ALA 55 -1.616 12.036 -8.017 193 HA ALA 55 HA ALA 55 0.560 13.342 -8.860 194 HB1 ALA 55 HB1 ALA 55 -1.877 13.959 -7.528 195 HB2 ALA 55 HB2 ALA 55 -0.587 14.843 -6.676 196 HB3 ALA 55 HB3 ALA 55 -0.812 15.066 -8.427 197 H ARG 56 HN ARG 56 0.015 11.981 -5.592 198 HA ARG 56 HA ARG 56 2.479 13.147 -4.695 199 HB2 ARG 56 HB2 ARG 56 0.068 12.133 -3.459 200 HB3 ARG 56 HB3 ARG 56 1.418 11.221 -2.815 201 HG2 ARG 56 HG2 ARG 56 1.292 14.272 -2.919 202 HG3 ARG 56 HG3 ARG 56 0.908 13.314 -1.503 203 HD2 ARG 56 HD2 ARG 56 3.193 12.454 -1.369 204 HD3 ARG 56 HD3 ARG 56 3.605 13.146 -2.925 205 HE ARG 56 HE ARG 56 3.629 14.526 -0.397 206 H ARG 57 HN ARG 57 0.996 9.859 -5.154 207 HA ARG 57 HA ARG 57 3.155 8.389 -4.402 208 HB2 ARG 57 HB2 ARG 57 0.674 7.973 -5.894 209 HB3 ARG 57 HB3 ARG 57 1.956 7.007 -6.597 210 HG2 ARG 57 HG2 ARG 57 2.425 6.525 -3.943 211 HG3 ARG 57 HG3 ARG 57 0.697 6.812 -3.887 212 HD2 ARG 57 HD2 ARG 57 1.245 5.119 -6.169 213 HD3 ARG 57 HD3 ARG 57 2.077 4.444 -4.782 214 HE ARG 57 HE ARG 57 -0.005 4.053 -3.715 215 H GLU 58 HN GLU 58 2.767 10.467 -7.156 216 HA GLU 58 HA GLU 58 4.584 9.057 -8.830 217 HB2 GLU 58 HB2 GLU 58 3.965 10.565 -10.448 218 HB3 GLU 58 HB3 GLU 58 2.622 10.835 -9.356 219 HG2 GLU 58 HG2 GLU 58 3.833 12.745 -8.311 220 HG3 GLU 58 HG3 GLU 58 5.210 12.460 -9.356 221 HE2 GLU 58 HE2 GLU 58 3.891 13.926 -12.088 222 H ALA 59 HN ALA 59 4.659 12.028 -6.761 223 HA ALA 59 HA ALA 59 7.159 12.941 -7.346 224 HB1 ALA 59 HB1 ALA 59 6.700 13.088 -4.499 225 HB2 ALA 59 HB2 ALA 59 6.550 14.370 -5.725 226 HB3 ALA 59 HB3 ALA 59 5.159 13.322 -5.359 227 H ASN 60 HN ASN 60 6.251 10.445 -4.869 228 HA ASN 60 HA ASN 60 8.979 9.936 -4.314 229 HB2 ASN 60 HB2 ASN 60 6.336 8.646 -3.529 230 HB3 ASN 60 HB3 ASN 60 7.846 7.856 -3.119 231 HD21 ASN 60 HD2 ASN 60 6.865 11.276 -3.262 232 HD21 ASN 60 HD2 ASN 60 7.261 11.688 -1.627 233 H GLY 61 HN GLY 61 6.453 8.740 -6.497 234 HA2 GLY 61 HA1 GLY 61 6.683 7.422 -8.337 235 HA3 GLY 61 HA2 GLY 61 8.350 7.094 -7.911 236 H ILE 62 HN ILE 62 4.933 6.259 -7.140 237 HA ILE 62 HA ILE 62 5.870 3.583 -6.449 238 HB ILE 62 HB ILE 62 3.984 5.226 -4.756 239 HG12 ILE 62 HG1 ILE 62 6.875 4.471 -4.480 240 HG13 ILE 62 HG1 ILE 62 6.089 6.007 -4.175 241 HG22 ILE 62 HG2 ILE 62 3.837 2.533 -5.151 242 HG22 ILE 62 HG2 ILE 62 4.946 2.625 -3.762 243 HG22 ILE 62 HG2 ILE 62 3.335 3.376 -3.666 244 HD11 ILE 62 HD1 ILE 62 6.354 5.303 -1.985 245 HD11 ILE 62 HD1 ILE 62 4.779 4.545 -2.321 246 HD11 ILE 62 HD1 ILE 62 6.271 3.579 -2.419 247 H ARG 63 HN ARG 63 5.048 3.979 -8.924 248 HA ARG 63 HA ARG 63 2.209 3.341 -8.855 249 HB2 ARG 63 HB2 ARG 63 3.594 4.158 -11.413 250 HB3 ARG 63 HB3 ARG 63 1.930 4.423 -10.930 251 HG2 ARG 63 HG2 ARG 63 2.601 6.553 -10.458 252 HG3 ARG 63 HG3 ARG 63 3.267 5.865 -8.990 253 HD2 ARG 63 HD2 ARG 63 5.246 6.755 -9.733 254 HD3 ARG 63 HD3 ARG 63 5.315 5.326 -10.746 255 HE ARG 63 HE ARG 63 3.801 7.564 -11.914 256 H THR 64 HN THR 64 3.487 1.153 -8.208 257 HA THR 64 HA THR 64 3.375 -0.494 -10.566 258 HB THR 64 HB THR 64 5.730 -1.382 -10.139 259 HG1 THR 64 HG1 THR 64 6.512 -0.568 -8.235 260 HG22 THR 64 HG2 THR 64 5.839 1.631 -10.595 261 HG22 THR 64 HG2 THR 64 6.887 0.373 -11.294 262 HG22 THR 64 HG2 THR 64 5.202 0.535 -11.845 263 H VAL 65 HN VAL 65 3.006 -2.681 -10.106 264 HA VAL 65 HA VAL 65 1.691 -3.148 -7.694 265 HB VAL 65 HB VAL 65 2.713 -4.866 -9.938 266 HG11 VAL 65 HG1 VAL 65 1.219 -5.853 -7.484 267 HG11 VAL 65 HG1 VAL 65 1.570 -6.804 -8.947 268 HG11 VAL 65 HG1 VAL 65 2.903 -6.237 -7.913 269 HG22 VAL 65 HG2 VAL 65 0.294 -3.409 -9.342 270 HG22 VAL 65 HG2 VAL 65 0.759 -4.268 -10.830 271 HG22 VAL 65 HG2 VAL 65 -0.068 -5.143 -9.519 272 H ARG 66 HN ARG 66 4.952 -4.234 -8.868 273 HA ARG 66 HA ARG 66 5.686 -5.693 -6.749 274 HB2 ARG 66 HB2 ARG 66 7.263 -3.812 -8.543 275 HB3 ARG 66 HB3 ARG 66 8.083 -4.703 -7.277 276 HG2 ARG 66 HG2 ARG 66 7.056 -6.842 -8.233 277 HG3 ARG 66 HG3 ARG 66 6.462 -5.887 -9.578 278 HD2 ARG 66 HD2 ARG 66 8.934 -5.107 -9.889 279 HD3 ARG 66 HD3 ARG 66 9.361 -6.417 -8.806 280 HE ARG 66 HE ARG 66 8.798 -7.985 -10.477 281 H ASP 67 HN ASP 67 6.648 -2.198 -7.163 282 HA ASP 67 HA ASP 67 7.748 -1.667 -4.858 283 HB2 ASP 67 HB2 ASP 67 5.723 -0.091 -6.462 284 HB3 ASP 67 HB3 ASP 67 6.309 0.584 -4.955 285 HD2 ASP 67 HD2 ASP 67 8.594 0.129 -8.168 286 H VAL 68 HN VAL 68 4.196 -2.003 -5.452 287 HA VAL 68 HA VAL 68 3.596 -1.501 -2.670 288 HB VAL 68 HB VAL 68 1.801 -2.340 -4.955 289 HG11 VAL 68 HG1 VAL 68 1.203 -1.094 -2.250 290 HG11 VAL 68 HG1 VAL 68 0.014 -1.324 -3.555 291 HG11 VAL 68 HG1 VAL 68 0.780 -2.737 -2.790 292 HG22 VAL 68 HG2 VAL 68 1.677 0.463 -4.103 293 HG22 VAL 68 HG2 VAL 68 3.250 0.013 -4.805 294 HG22 VAL 68 HG2 VAL 68 1.755 -0.238 -5.738 295 H ALA 69 HN ALA 69 5.354 -3.532 -2.615 296 HA ALA 69 HA ALA 69 3.800 -5.643 -1.533 297 HB1 ALA 69 HB1 ALA 69 4.464 -5.800 -4.328 298 HB2 ALA 69 HB2 ALA 69 5.404 -7.028 -3.447 299 HB3 ALA 69 HB3 ALA 69 3.629 -6.999 -3.313 300 H ALA 70 HN ALA 70 6.950 -4.476 -2.842 301 HA ALA 70 HA ALA 70 8.452 -6.109 -1.038 302 HB1 ALA 70 HB1 ALA 70 8.993 -4.009 -3.118 303 HB2 ALA 70 HB2 ALA 70 10.264 -4.371 -1.926 304 HB3 ALA 70 HB3 ALA 70 9.635 -5.663 -2.977 305 H TYR 71 HN TYR 71 8.144 -2.556 -1.436 306 HA TYR 71 HA TYR 71 9.308 -1.704 0.902 307 HB2 TYR 71 HB2 TYR 71 7.279 -0.701 -0.967 308 HB3 TYR 71 HB3 TYR 71 7.103 -0.041 0.668 309 HD1 TYR 71 HD1 TYR 71 7.707 2.218 0.080 310 HD2 TYR 71 HD2 TYR 71 10.366 -1.051 -0.753 311 HE1 TYR 71 HE1 TYR 71 9.541 3.825 -0.370 312 HE2 TYR 71 HE2 TYR 71 12.201 0.556 -1.202 313 HH TYR 71 HH TYR 71 12.219 3.244 -1.994 314 H ILE 72 HN ILE 72 5.747 -2.483 0.535 315 HA ILE 72 HA ILE 72 4.926 -2.044 3.043 316 HB ILE 72 HB ILE 72 3.331 -3.912 2.706 317 HG12 ILE 72 HG1 ILE 72 4.451 -4.410 -0.020 318 HG13 ILE 72 HG1 ILE 72 5.225 -5.200 1.339 319 HG22 ILE 72 HG2 ILE 72 2.084 -2.683 1.270 320 HG22 ILE 72 HG2 ILE 72 3.384 -1.498 1.543 321 HG22 ILE 72 HG2 ILE 72 3.401 -2.518 0.083 322 HD11 ILE 72 HD1 ILE 72 2.620 -5.756 0.099 323 HD11 ILE 72 HD1 ILE 72 3.598 -6.777 1.181 324 HD11 ILE 72 HD1 ILE 72 2.493 -5.560 1.863 325 H ARG 73 HN ARG 73 7.012 -4.727 1.925 326 HA ARG 73 HA ARG 73 6.833 -6.287 4.167 327 HB2 ARG 73 HB2 ARG 73 8.005 -6.792 1.929 328 HB3 ARG 73 HB3 ARG 73 9.366 -5.855 2.510 329 HG2 ARG 73 HG2 ARG 73 10.105 -7.568 3.810 330 HG3 ARG 73 HG3 ARG 73 8.529 -7.781 4.545 331 HD2 ARG 73 HD2 ARG 73 7.866 -9.409 3.005 332 HD3 ARG 73 HD3 ARG 73 8.839 -8.740 1.709 333 HE ARG 73 HE ARG 73 10.393 -9.857 3.949 334 H ASN 74 HN ASN 74 9.486 -3.928 3.315 335 HA ASN 74 HA ASN 74 9.791 -3.510 6.184 336 HB2 ASN 74 HB2 ASN 74 11.682 -4.808 4.854 337 HB3 ASN 74 HB3 ASN 74 12.094 -3.231 4.211 338 HD21 ASN 74 HD2 ASN 74 12.108 -1.451 5.972 339 HD21 ASN 74 HD2 ASN 74 13.007 -1.810 7.408 340 HA PRO 75 HA PRO 75 9.005 0.481 3.938 341 HB2 PRO 75 HB2 PRO 75 6.792 1.249 5.340 342 HB3 PRO 75 HB3 PRO 75 6.709 0.043 4.014 343 HG2 PRO 75 HG2 PRO 75 6.771 -0.331 6.888 344 HG3 PRO 75 HG3 PRO 75 5.759 -1.259 5.733 345 HD2 PRO 75 HD2 PRO 75 8.144 -2.191 6.861 346 HD3 PRO 75 HD3 PRO 75 7.524 -2.731 5.271 347 H GLY 76 HN GLY 76 8.727 2.789 5.089 348 HA2 GLY 76 HA1 GLY 76 10.736 2.848 7.176 349 HA3 GLY 76 HA2 GLY 76 10.014 4.208 6.339 350 HA PRO 77 HA PRO 77 8.375 3.986 10.714 351 HB2 PRO 77 HB2 PRO 77 8.698 6.719 11.107 352 HB3 PRO 77 HB3 PRO 77 9.971 5.496 11.427 353 HG2 PRO 77 HG2 PRO 77 9.506 7.135 9.120 354 HG3 PRO 77 HG3 PRO 77 11.141 6.962 9.839 355 HD2 PRO 77 HD2 PRO 77 10.575 5.546 7.663 356 HD3 PRO 77 HD3 PRO 77 11.279 4.663 9.051 357 H GLY 78 HN GLY 78 6.288 4.899 11.461 358 HA2 GLY 78 HA1 GLY 78 4.378 6.185 11.151 359 HA3 GLY 78 HA2 GLY 78 4.840 6.509 9.492 360 H MET 79 HN MET 79 5.507 3.685 8.832 361 HA MET 79 HA MET 79 2.790 2.616 8.906 362 HB2 MET 79 HB2 MET 79 3.905 3.533 6.655 363 HB3 MET 79 HB3 MET 79 4.793 2.023 6.688 364 HG2 MET 79 HG2 MET 79 2.803 0.704 6.501 365 HG3 MET 79 HG3 MET 79 1.767 2.030 6.988 366 HE1 MET 79 HE1 MET 79 2.875 0.842 2.837 367 HE2 MET 79 HE2 MET 79 4.076 0.602 4.128 368 HE3 MET 79 HE3 MET 79 2.446 -0.094 4.289 369 HA PRO 80 HA PRO 80 4.461 -0.823 11.087 370 HB2 PRO 80 HB2 PRO 80 2.211 -2.275 9.695 371 HB3 PRO 80 HB3 PRO 80 2.606 -2.126 11.439 372 HG2 PRO 80 HG2 PRO 80 0.533 -0.717 10.335 373 HG3 PRO 80 HG3 PRO 80 1.648 -0.255 11.663 374 HD2 PRO 80 HD2 PRO 80 1.632 0.569 8.722 375 HD3 PRO 80 HD3 PRO 80 1.944 1.572 10.172 376 H ALA 81 HN ALA 81 3.876 -3.533 9.814 377 HA ALA 81 HA ALA 81 5.267 -3.391 7.294 378 HB1 ALA 81 HB1 ALA 81 7.321 -3.648 8.186 379 HB2 ALA 81 HB2 ALA 81 6.655 -3.910 9.816 380 HB3 ALA 81 HB3 ALA 81 6.802 -5.276 8.684 381 H PHE 82 HN PHE 82 5.397 -5.614 6.288 382 HA PHE 82 HA PHE 82 3.574 -7.516 7.529 383 HB2 PHE 82 HB2 PHE 82 3.432 -6.422 4.655 384 HB3 PHE 82 HB3 PHE 82 2.392 -7.681 5.290 385 HD1 PHE 82 HD1 PHE 82 3.047 -4.105 5.191 386 HD2 PHE 82 HD2 PHE 82 0.640 -7.138 6.927 387 HE1 PHE 82 HE1 PHE 82 1.401 -2.367 5.946 388 HE2 PHE 82 HE2 PHE 82 -1.006 -5.399 7.682 389 HZ PHE 82 HZ PHE 82 -0.606 -3.035 7.182 390 H GLY 83 HN GLY 83 5.051 -9.166 7.798 391 HA2 GLY 83 HA1 GLY 83 6.890 -9.774 5.603 392 HA3 GLY 83 HA2 GLY 83 6.941 -10.400 7.239 393 H GLU 84 HN GLU 84 7.260 -12.463 5.826 394 HA GLU 84 HA GLU 84 4.919 -13.431 4.556 395 HB2 GLU 84 HB2 GLU 84 7.330 -15.091 5.375 396 HB3 GLU 84 HB3 GLU 84 6.228 -15.380 4.043 397 HG2 GLU 84 HG2 GLU 84 7.519 -14.131 2.664 398 HG3 GLU 84 HG3 GLU 84 7.315 -12.733 3.702 399 HE2 GLU 84 HE2 GLU 84 9.634 -13.470 2.363 400 H ALA 85 HN ALA 85 5.517 -12.885 7.741 401 HA ALA 85 HA ALA 85 4.925 -15.340 8.965 402 HB1 ALA 85 HB1 ALA 85 4.570 -12.450 9.855 403 HB2 ALA 85 HB2 ALA 85 4.390 -13.861 10.926 404 HB3 ALA 85 HB3 ALA 85 5.964 -13.509 10.174 405 H MET 86 HN MET 86 2.902 -12.619 7.744 406 HA MET 86 HA MET 86 0.593 -14.327 8.268 407 HB2 MET 86 HB2 MET 86 0.841 -12.015 9.472 408 HB3 MET 86 HB3 MET 86 0.573 -11.288 7.900 409 HG2 MET 86 HG2 MET 86 -1.643 -12.265 7.719 410 HG3 MET 86 HG3 MET 86 -1.363 -13.325 9.086 411 HE1 MET 86 HE1 MET 86 -1.695 -12.642 11.580 412 HE2 MET 86 HE2 MET 86 -0.103 -11.903 11.281 413 HE3 MET 86 HE3 MET 86 -1.367 -10.983 12.133 414 H ILE 87 HN ILE 87 1.853 -11.716 6.071 415 HA ILE 87 HA ILE 87 0.375 -13.045 3.907 416 HB ILE 87 HB ILE 87 1.008 -10.108 4.207 417 HG12 ILE 87 HG1 ILE 87 -1.403 -11.747 4.889 418 HG13 ILE 87 HG1 ILE 87 -0.680 -10.404 5.753 419 HG22 ILE 87 HG2 ILE 87 -0.939 -11.141 2.205 420 HG22 ILE 87 HG2 ILE 87 0.140 -9.727 2.141 421 HG22 ILE 87 HG2 ILE 87 0.794 -11.359 1.864 422 HD11 ILE 87 HD1 ILE 87 -2.571 -10.369 3.418 423 HD11 ILE 87 HD1 ILE 87 -2.519 -9.317 4.853 424 HD11 ILE 87 HD1 ILE 87 -1.367 -9.063 3.521 425 HA PRO 88 HA PRO 88 4.515 -13.790 2.500 426 HB2 PRO 88 HB2 PRO 88 3.836 -15.417 0.431 427 HB3 PRO 88 HB3 PRO 88 3.638 -15.936 2.136 428 HG2 PRO 88 HG2 PRO 88 1.929 -14.717 0.400 429 HG3 PRO 88 HG3 PRO 88 1.214 -16.166 1.179 430 HD2 PRO 88 HD2 PRO 88 0.447 -13.876 2.160 431 HD3 PRO 88 HD3 PRO 88 1.204 -14.977 3.350 432 HA PRO 89 HA PRO 89 5.136 -10.633 -0.487 433 HB2 PRO 89 HB2 PRO 89 7.056 -11.966 -2.077 434 HB3 PRO 89 HB3 PRO 89 7.381 -11.067 -0.559 435 HG2 PRO 89 HG2 PRO 89 6.975 -13.986 -0.939 436 HG3 PRO 89 HG3 PRO 89 8.234 -13.256 0.110 437 HD2 PRO 89 HD2 PRO 89 6.001 -14.176 1.243 438 HD3 PRO 89 HD3 PRO 89 6.549 -12.535 1.698 439 H ALA 90 HN ALA 90 4.785 -14.051 -1.714 440 HA ALA 90 HA ALA 90 4.041 -13.286 -4.304 441 HB1 ALA 90 HB1 ALA 90 2.965 -15.794 -3.067 442 HB2 ALA 90 HB2 ALA 90 3.772 -15.549 -4.635 443 HB3 ALA 90 HB3 ALA 90 4.733 -15.600 -3.137 444 H ASP 91 HN ASP 91 2.355 -13.302 -1.213 445 HA ASP 91 HA ASP 91 -0.205 -13.202 -2.510 446 HB2 ASP 91 HB2 ASP 91 0.738 -13.116 0.381 447 HB3 ASP 91 HB3 ASP 91 -0.932 -12.777 -0.030 448 HD2 ASP 91 HD2 ASP 91 -1.657 -14.714 1.034 449 H ALA 92 HN ALA 92 2.368 -11.094 -1.790 450 HA ALA 92 HA ALA 92 0.722 -8.817 -1.081 451 HB1 ALA 92 HB1 ALA 92 3.296 -9.602 -0.472 452 HB2 ALA 92 HB2 ALA 92 3.568 -8.398 -1.754 453 HB3 ALA 92 HB3 ALA 92 2.661 -7.949 -0.290 454 H LEU 93 HN LEU 93 2.353 -10.296 -3.876 455 HA LEU 93 HA LEU 93 2.349 -8.033 -5.524 456 HB2 LEU 93 HB2 LEU 93 2.363 -10.994 -6.087 457 HB3 LEU 93 HB3 LEU 93 2.457 -9.787 -7.353 458 HG LEU 93 HG LEU 93 4.434 -9.935 -5.066 459 HD11 LEU 93 HD1 LEU 93 4.389 -12.042 -6.416 460 HD11 LEU 93 HD1 LEU 93 4.816 -11.071 -7.846 461 HD11 LEU 93 HD1 LEU 93 5.935 -11.161 -6.465 462 HD22 LEU 93 HD2 LEU 93 5.859 -8.624 -6.641 463 HD22 LEU 93 HD2 LEU 93 4.451 -8.478 -7.720 464 HD22 LEU 93 HD2 LEU 93 4.399 -7.769 -6.088 465 H LYS 94 HN LYS 94 -0.210 -10.018 -4.283 466 HA LYS 94 HA LYS 94 -1.990 -9.403 -6.477 467 HB2 LYS 94 HB2 LYS 94 -3.554 -10.823 -5.376 468 HB3 LYS 94 HB3 LYS 94 -1.992 -11.613 -5.303 469 HG2 LYS 94 HG2 LYS 94 -2.070 -11.653 -3.039 470 HG3 LYS 94 HG3 LYS 94 -2.233 -9.909 -2.982 471 HD2 LYS 94 HD2 LYS 94 -4.240 -10.527 -1.976 472 HD3 LYS 94 HD3 LYS 94 -4.765 -10.416 -3.644 473 HE2 LYS 94 HE2 LYS 94 -3.660 -13.070 -3.129 474 HE3 LYS 94 HE3 LYS 94 -4.893 -12.698 -1.940 475 HZ1 LYS 94 HZ1 LYS 94 -6.377 -12.089 -3.827 476 HZ2 LYS 94 HZ2 LYS 94 -5.239 -12.573 -4.887 477 H ILE 95 HN ILE 95 -0.900 -8.009 -3.485 478 HA ILE 95 HA ILE 95 -3.310 -6.535 -2.999 479 HB ILE 95 HB ILE 95 -0.537 -6.192 -1.852 480 HG12 ILE 95 HG1 ILE 95 -1.510 -8.496 -1.583 481 HG13 ILE 95 HG1 ILE 95 -1.143 -7.657 -0.089 482 HG22 ILE 95 HG2 ILE 95 -3.071 -4.787 -1.464 483 HG22 ILE 95 HG2 ILE 95 -2.389 -5.429 0.050 484 HG22 ILE 95 HG2 ILE 95 -1.418 -4.342 -0.972 485 HD11 ILE 95 HD1 ILE 95 -3.277 -8.147 0.528 486 HD11 ILE 95 HD1 ILE 95 -3.771 -6.860 -0.599 487 HD11 ILE 95 HD1 ILE 95 -3.746 -8.556 -1.140 488 H GLY 96 HN GLY 96 0.000 -5.824 -4.294 489 HA2 GLY 96 HA1 GLY 96 -0.173 -3.151 -4.743 490 HA3 GLY 96 HA2 GLY 96 0.658 -4.277 -5.798 491 H GLU 97 HN GLU 97 -1.985 -5.747 -6.354 492 HA GLU 97 HA GLU 97 -2.607 -4.313 -8.663 493 HB2 GLU 97 HB2 GLU 97 -4.360 -6.455 -7.406 494 HB3 GLU 97 HB3 GLU 97 -4.192 -6.068 -9.107 495 HG2 GLU 97 HG2 GLU 97 -1.671 -6.698 -8.808 496 HG3 GLU 97 HG3 GLU 97 -2.162 -7.421 -7.289 497 HE2 GLU 97 HE2 GLU 97 -4.466 -8.254 -10.177 498 H TYR 98 HN TYR 98 -4.307 -4.825 -5.563 499 HA TYR 98 HA TYR 98 -6.697 -3.500 -6.049 500 HB2 TYR 98 HB2 TYR 98 -6.024 -4.749 -3.982 501 HB3 TYR 98 HB3 TYR 98 -5.041 -3.353 -3.509 502 HD1 TYR 98 HD1 TYR 98 -8.555 -4.255 -4.470 503 HD2 TYR 98 HD2 TYR 98 -5.980 -1.684 -2.188 504 HE1 TYR 98 HE1 TYR 98 -10.538 -3.224 -3.395 505 HE2 TYR 98 HE2 TYR 98 -7.963 -0.653 -1.112 506 HH TYR 98 HH TYR 98 -10.315 -1.061 -0.678 507 H VAL 99 HN VAL 99 -3.422 -2.125 -5.662 508 HA VAL 99 HA VAL 99 -4.593 0.541 -5.498 509 HB VAL 99 HB VAL 99 -1.791 -0.540 -5.179 510 HG11 VAL 99 HG1 VAL 99 -1.216 1.509 -6.011 511 HG11 VAL 99 HG1 VAL 99 -2.768 2.254 -5.562 512 HG11 VAL 99 HG1 VAL 99 -1.520 1.982 -4.322 513 HG22 VAL 99 HG2 VAL 99 -2.392 -0.801 -3.048 514 HG22 VAL 99 HG2 VAL 99 -2.644 0.957 -2.933 515 HG22 VAL 99 HG2 VAL 99 -3.998 -0.109 -3.377 516 H VAL 100 HN VAL 100 -4.918 -1.141 -7.908 517 HA VAL 100 HA VAL 100 -3.604 0.692 -9.766 518 HB VAL 100 HB VAL 100 -3.585 -2.325 -9.886 519 HG11 VAL 100 HG1 VAL 100 -3.324 -0.284 -12.057 520 HG11 VAL 100 HG1 VAL 100 -2.248 -1.701 -12.103 521 HG11 VAL 100 HG1 VAL 100 -4.014 -1.924 -12.101 522 HG22 VAL 100 HG2 VAL 100 -1.710 -0.405 -8.950 523 HG22 VAL 100 HG2 VAL 100 -1.493 -2.162 -9.134 524 HG22 VAL 100 HG2 VAL 100 -1.071 -1.068 -10.473 525 H ALA 101 HN ALA 101 -6.381 -0.054 -8.418 526 HA ALA 101 HA ALA 101 -7.833 0.089 -10.963 527 HB1 ALA 101 HB1 ALA 101 -9.265 -1.273 -8.785 528 HB2 ALA 101 HB2 ALA 101 -9.069 -1.743 -10.491 529 HB3 ALA 101 HB3 ALA 101 -7.801 -2.141 -9.307 530 H SER 102 HN SER 102 -7.036 2.385 -9.717 531 HA SER 102 HA SER 102 -9.432 3.639 -9.235 532 HB2 SER 102 HB2 SER 102 -8.326 2.354 -6.871 533 HB3 SER 102 HB3 SER 102 -8.316 4.092 -6.648 534 HG SER 102 HG SER 102 -10.390 3.867 -6.174 535 H PHE 103 HN PHE 103 -5.904 3.438 -8.629 536 HA PHE 103 HA PHE 103 -5.481 5.921 -9.911 537 HB2 PHE 103 HB2 PHE 103 -4.259 6.658 -7.581 538 HB3 PHE 103 HB3 PHE 103 -5.920 7.100 -7.921 539 HD1 PHE 103 HD1 PHE 103 -4.462 3.839 -6.845 540 HD2 PHE 103 HD2 PHE 103 -7.040 7.073 -5.897 541 HE1 PHE 103 HE1 PHE 103 -5.206 2.637 -4.770 542 HE2 PHE 103 HE2 PHE 103 -7.784 5.872 -3.822 543 HZ PHE 103 HZ PHE 103 -6.859 3.668 -3.284 544 HA PRO 104 HA PRO 104 -2.247 2.583 -10.135 545 HB2 PRO 104 HB2 PRO 104 -2.094 4.088 -12.772 546 HB3 PRO 104 HB3 PRO 104 -1.943 2.336 -12.419 547 HG2 PRO 104 HG2 PRO 104 -4.360 3.281 -13.383 548 HG3 PRO 104 HG3 PRO 104 -4.257 2.059 -12.073 549 HD2 PRO 104 HD2 PRO 104 -4.649 5.091 -11.910 550 HD3 PRO 104 HD3 PRO 104 -5.524 3.799 -11.034 Start of MODEL 4 1 H ALA 25 HN ALA 25 -11.374 -6.982 -7.314 2 HA ALA 25 HA ALA 25 -12.141 -8.530 -5.547 3 HB1 ALA 25 HB1 ALA 25 -12.221 -10.529 -7.409 4 HB2 ALA 25 HB2 ALA 25 -13.297 -9.111 -7.421 5 HB3 ALA 25 HB3 ALA 25 -11.837 -9.129 -8.439 6 H GLY 26 HN GLY 26 -10.850 -9.193 -3.849 7 HA2 GLY 26 HA1 GLY 26 -9.887 -11.311 -3.095 8 HA3 GLY 26 HA2 GLY 26 -8.842 -11.268 -4.501 9 H GLY 27 HN GLY 27 -7.273 -9.412 -4.704 10 HA2 GLY 27 HA1 GLY 27 -5.679 -9.126 -2.479 11 HA3 GLY 27 HA2 GLY 27 -5.674 -8.066 -3.875 12 H GLY 28 HN GLY 28 -8.631 -7.370 -3.384 13 HA2 GLY 28 HA1 GLY 28 -8.164 -5.054 -1.805 14 HA3 GLY 28 HA2 GLY 28 -9.691 -5.605 -2.466 15 H GLU 29 HN GLU 29 -10.028 -8.131 -1.291 16 HA GLU 29 HA GLU 29 -11.135 -7.503 1.099 17 HB2 GLU 29 HB2 GLU 29 -11.608 -9.560 -0.223 18 HB3 GLU 29 HB3 GLU 29 -10.043 -10.212 0.220 19 HG2 GLU 29 HG2 GLU 29 -11.506 -11.210 1.792 20 HG3 GLU 29 HG3 GLU 29 -10.797 -9.884 2.694 21 HE2 GLU 29 HE2 GLU 29 -13.277 -10.346 3.755 22 H LEU 30 HN LEU 30 -7.765 -8.214 0.334 23 HA LEU 30 HA LEU 30 -7.064 -8.731 3.078 24 HB2 LEU 30 HB2 LEU 30 -5.338 -8.311 0.633 25 HB3 LEU 30 HB3 LEU 30 -4.785 -8.865 2.201 26 HG LEU 30 HG LEU 30 -6.436 -10.320 0.153 27 HD11 LEU 30 HD1 LEU 30 -4.165 -10.757 -0.137 28 HD11 LEU 30 HD1 LEU 30 -3.849 -10.810 1.614 29 HD11 LEU 30 HD1 LEU 30 -4.740 -12.137 0.831 30 HD22 LEU 30 HD2 LEU 30 -7.758 -10.647 2.102 31 HD22 LEU 30 HD2 LEU 30 -6.786 -12.121 1.876 32 HD22 LEU 30 HD2 LEU 30 -6.321 -10.929 3.113 33 H PHE 31 HN PHE 31 -6.910 -6.043 0.698 34 HA PHE 31 HA PHE 31 -5.396 -4.352 2.376 35 HB2 PHE 31 HB2 PHE 31 -5.528 -4.019 -0.056 36 HB3 PHE 31 HB3 PHE 31 -7.280 -4.038 -0.025 37 HD1 PHE 31 HD1 PHE 31 -8.389 -2.115 1.397 38 HD2 PHE 31 HD2 PHE 31 -4.437 -1.981 -0.144 39 HE1 PHE 31 HE1 PHE 31 -8.413 0.390 1.552 40 HE2 PHE 31 HE2 PHE 31 -4.461 0.524 0.012 41 HZ PHE 31 HZ PHE 31 -6.448 1.680 0.858 42 H ALA 32 HN ALA 32 -8.791 -5.259 2.228 43 HA ALA 32 HA ALA 32 -9.580 -2.909 3.751 44 HB1 ALA 32 HB1 ALA 32 -11.623 -3.287 2.863 45 HB2 ALA 32 HB2 ALA 32 -10.809 -4.453 1.792 46 HB3 ALA 32 HB3 ALA 32 -11.581 -5.013 3.295 47 H THR 33 HN THR 33 -7.667 -4.380 5.122 48 HA THR 33 HA THR 33 -9.035 -4.977 7.508 49 HB THR 33 HB THR 33 -8.332 -7.255 5.642 50 HG1 THR 33 HG1 THR 33 -10.411 -7.846 6.472 51 HG22 THR 33 HG2 THR 33 -8.520 -8.756 7.713 52 HG22 THR 33 HG2 THR 33 -6.983 -7.868 7.583 53 HG22 THR 33 HG2 THR 33 -8.247 -7.300 8.700 54 H HIS 34 HN HIS 34 -6.109 -5.371 5.470 55 HA HIS 34 HA HIS 34 -4.527 -5.051 7.905 56 HB2 HIS 34 HB2 HIS 34 -3.633 -5.931 5.147 57 HB3 HIS 34 HB3 HIS 34 -2.652 -5.900 6.599 58 HD1 HIS 34 HD1 HIS 34 -3.299 -7.669 8.515 59 HD2 HIS 34 HD2 HIS 34 -5.200 -8.204 4.814 60 HE1 HIS 34 HE1 HIS 34 -4.263 -10.031 8.542 61 H CYS 35 HN CYS 35 -5.968 -3.237 5.488 62 HA CYS 35 HA CYS 35 -3.904 -1.186 5.788 63 HB2 CYS 35 HB2 CYS 35 -5.465 -1.471 3.234 64 HB3 CYS 35 HB3 CYS 35 -4.017 -0.534 3.541 65 H ALA 36 HN ALA 36 -7.316 -2.050 4.912 66 HA ALA 36 HA ALA 36 -8.553 0.315 4.884 67 HB1 ALA 36 HB1 ALA 36 -10.243 -1.230 6.475 68 HB2 ALA 36 HB2 ALA 36 -10.162 -1.256 4.697 69 HB3 ALA 36 HB3 ALA 36 -9.228 -2.436 5.648 70 H GLY 37 HN GLY 37 -7.154 -1.316 7.745 71 HA2 GLY 37 HA1 GLY 37 -8.264 0.598 9.600 72 HA3 GLY 37 HA2 GLY 37 -7.135 -0.698 9.939 73 H CYS 38 HN CYS 38 -6.966 2.076 7.597 74 HA CYS 38 HA CYS 38 -5.373 3.748 8.991 75 HB2 CYS 38 HB2 CYS 38 -3.859 1.368 8.284 76 HB3 CYS 38 HB3 CYS 38 -3.167 2.792 7.532 77 H HIS 39 HN HIS 39 -6.100 2.015 5.965 78 HA HIS 39 HA HIS 39 -5.745 4.550 4.536 79 HB2 HIS 39 HB2 HIS 39 -5.284 1.700 3.659 80 HB3 HIS 39 HB3 HIS 39 -5.569 2.976 2.493 81 HD1 HIS 39 HD1 HIS 39 -3.834 5.183 2.921 82 HD2 HIS 39 HD2 HIS 39 -2.638 1.381 4.227 83 HE1 HIS 39 HE1 HIS 39 -1.299 5.285 3.192 84 HA PRO 40 HA PRO 40 -10.229 3.267 4.688 85 HB2 PRO 40 HB2 PRO 40 -11.212 5.419 6.003 86 HB3 PRO 40 HB3 PRO 40 -10.370 4.103 6.885 87 HG2 PRO 40 HG2 PRO 40 -8.888 6.840 6.002 88 HG3 PRO 40 HG3 PRO 40 -9.199 5.946 7.526 89 HD2 PRO 40 HD2 PRO 40 -6.997 5.524 5.842 90 HD3 PRO 40 HD3 PRO 40 -7.673 4.274 6.929 91 H GLN 41 HN GLN 41 -11.097 3.619 2.645 92 HA GLN 41 HA GLN 41 -11.572 4.598 0.762 93 HB2 GLN 41 HB2 GLN 41 -12.255 6.573 2.856 94 HB3 GLN 41 HB3 GLN 41 -12.047 7.295 1.273 95 HG2 GLN 41 HG2 GLN 41 -13.969 6.361 0.470 96 HG3 GLN 41 HG3 GLN 41 -13.579 4.784 1.127 97 HE21 GLN 41 HE2 GLN 41 -16.137 5.734 1.137 98 HE21 GLN 41 HE2 GLN 41 -16.672 6.064 2.751 99 H GLY 42 HN GLY 42 -8.966 4.205 0.705 100 HA2 GLY 42 HA1 GLY 42 -6.933 4.939 0.046 101 HA3 GLY 42 HA2 GLY 42 -7.862 5.908 -1.081 102 H GLY 43 HN GLY 43 -8.057 6.320 2.470 103 HA2 GLY 43 HA1 GLY 43 -6.896 9.010 2.133 104 HA3 GLY 43 HA2 GLY 43 -8.046 8.524 3.362 105 H ASN 44 HN ASN 44 -6.699 9.212 5.113 106 HA ASN 44 HA ASN 44 -4.772 7.231 5.819 107 HB2 ASN 44 HB2 ASN 44 -3.981 10.162 5.425 108 HB3 ASN 44 HB3 ASN 44 -3.014 9.034 6.353 109 HD21 ASN 44 HD2 ASN 44 -1.525 7.912 5.347 110 HD21 ASN 44 HD2 ASN 44 -1.395 7.642 3.641 111 H THR 45 HN THR 45 -4.470 7.218 8.156 112 HA THR 45 HA THR 45 -6.176 9.156 9.579 113 HB THR 45 HB THR 45 -6.464 7.262 11.225 114 HG1 THR 45 HG1 THR 45 -5.217 5.722 9.082 115 HG22 THR 45 HG2 THR 45 -8.137 7.403 9.377 116 HG22 THR 45 HG2 THR 45 -7.041 6.486 8.316 117 HG22 THR 45 HG2 THR 45 -7.756 5.704 9.746 118 H VAL 46 HN VAL 46 -2.997 8.422 8.851 119 HA VAL 46 HA VAL 46 -2.110 9.338 11.498 120 HB VAL 46 HB VAL 46 -0.669 7.764 9.355 121 HG11 VAL 46 HG1 VAL 46 1.214 8.589 10.241 122 HG11 VAL 46 HG1 VAL 46 0.334 9.359 11.583 123 HG11 VAL 46 HG1 VAL 46 0.826 7.653 11.705 124 HG22 VAL 46 HG2 VAL 46 -1.865 6.103 10.335 125 HG22 VAL 46 HG2 VAL 46 -0.582 6.209 11.564 126 HG22 VAL 46 HG2 VAL 46 -2.139 7.030 11.830 127 H HIS 47 HN HIS 47 -1.365 9.561 7.946 128 HA HIS 47 HA HIS 47 -0.523 12.316 8.487 129 HB2 HIS 47 HB2 HIS 47 0.506 10.321 6.456 130 HB3 HIS 47 HB3 HIS 47 0.879 12.033 6.397 131 HD1 HIS 47 HD1 HIS 47 3.342 10.554 6.654 132 HD2 HIS 47 HD2 HIS 47 0.988 11.293 10.047 133 HE1 HIS 47 HE1 HIS 47 4.890 10.300 8.666 134 HA PRO 48 HA PRO 48 -4.025 13.111 5.853 135 HB2 PRO 48 HB2 PRO 48 -4.511 15.620 6.645 136 HB3 PRO 48 HB3 PRO 48 -4.681 14.275 7.820 137 HG2 PRO 48 HG2 PRO 48 -2.460 15.941 7.290 138 HG3 PRO 48 HG3 PRO 48 -2.883 15.768 9.024 139 HD2 PRO 48 HD2 PRO 48 -0.830 14.360 8.023 140 HD3 PRO 48 HD3 PRO 48 -2.019 13.514 9.061 141 H GLU 49 HN GLU 49 -0.885 13.560 5.267 142 HA GLU 49 HA GLU 49 -1.465 15.439 3.120 143 HB2 GLU 49 HB2 GLU 49 0.833 16.371 3.363 144 HB3 GLU 49 HB3 GLU 49 -0.148 16.652 4.787 145 HG2 GLU 49 HG2 GLU 49 1.027 15.087 6.087 146 HG3 GLU 49 HG3 GLU 49 1.524 14.141 4.698 147 HE2 GLU 49 HE2 GLU 49 3.628 14.920 6.358 148 H LYS 50 HN LYS 50 -0.915 12.314 3.857 149 HA LYS 50 HA LYS 50 0.622 11.893 1.397 150 HB2 LYS 50 HB2 LYS 50 0.967 10.144 3.834 151 HB3 LYS 50 HB3 LYS 50 1.947 10.200 2.383 152 HG2 LYS 50 HG2 LYS 50 2.053 12.844 3.302 153 HG3 LYS 50 HG3 LYS 50 2.055 11.917 4.790 154 HD2 LYS 50 HD2 LYS 50 4.203 11.261 4.461 155 HD3 LYS 50 HD3 LYS 50 3.829 10.646 2.863 156 HE2 LYS 50 HE2 LYS 50 4.062 12.932 1.905 157 HE3 LYS 50 HE3 LYS 50 4.374 13.586 3.501 158 HZ1 LYS 50 HZ1 LYS 50 6.076 11.524 2.203 159 HZ2 LYS 50 HZ2 LYS 50 6.434 13.112 2.244 160 H THR 51 HN THR 51 -1.244 11.501 0.171 161 HA THR 51 HA THR 51 -2.962 9.324 1.140 162 HB THR 51 HB THR 51 -4.631 10.281 -0.349 163 HG1 THR 51 HG1 THR 51 -3.903 11.827 -1.931 164 HG22 THR 51 HG2 THR 51 -3.150 12.785 0.530 165 HG22 THR 51 HG2 THR 51 -4.904 12.483 0.497 166 HG22 THR 51 HG2 THR 51 -3.894 11.724 1.750 167 H LEU 52 HN LEU 52 -3.995 8.253 -1.101 168 HA LEU 52 HA LEU 52 -1.641 6.941 -2.203 169 HB2 LEU 52 HB2 LEU 52 -4.574 6.218 -2.243 170 HB3 LEU 52 HB3 LEU 52 -3.305 5.279 -3.004 171 HG LEU 52 HG LEU 52 -3.580 5.832 -0.037 172 HD11 LEU 52 HD1 LEU 52 -4.887 3.949 -1.655 173 HD11 LEU 52 HD1 LEU 52 -3.605 3.048 -0.809 174 HD11 LEU 52 HD1 LEU 52 -4.799 3.984 0.123 175 HD22 LEU 52 HD2 LEU 52 -1.380 5.479 0.055 176 HD22 LEU 52 HD2 LEU 52 -1.753 3.783 -0.336 177 HD22 LEU 52 HD2 LEU 52 -1.309 4.918 -1.633 178 H ALA 53 HN ALA 53 -2.714 9.748 -2.911 179 HA ALA 53 HA ALA 53 -3.767 9.503 -5.536 180 HB1 ALA 53 HB1 ALA 53 -2.845 11.660 -3.688 181 HB2 ALA 53 HB2 ALA 53 -2.832 12.036 -5.428 182 HB3 ALA 53 HB3 ALA 53 -4.345 11.531 -4.638 183 H ARG 54 HN ARG 54 -2.721 9.250 -7.463 184 HA ARG 54 HA ARG 54 -0.150 8.388 -7.530 185 HB2 ARG 54 HB2 ARG 54 -1.824 8.074 -9.360 186 HB3 ARG 54 HB3 ARG 54 -1.729 9.779 -9.754 187 HG2 ARG 54 HG2 ARG 54 0.901 9.229 -9.944 188 HG3 ARG 54 HG3 ARG 54 0.308 7.603 -10.222 189 HD2 ARG 54 HD2 ARG 54 -1.331 9.333 -11.813 190 HD3 ARG 54 HD3 ARG 54 0.321 9.871 -12.047 191 HE ARG 54 HE ARG 54 0.547 7.129 -12.270 192 H ALA 55 HN ALA 55 -1.487 11.706 -7.970 193 HA ALA 55 HA ALA 55 0.616 13.061 -8.978 194 HB1 ALA 55 HB1 ALA 55 -0.579 14.446 -6.684 195 HB2 ALA 55 HB2 ALA 55 -0.666 14.832 -8.419 196 HB3 ALA 55 HB3 ALA 55 -1.796 13.653 -7.712 197 H ARG 56 HN ARG 56 0.191 11.873 -5.604 198 HA ARG 56 HA ARG 56 2.684 13.059 -4.863 199 HB2 ARG 56 HB2 ARG 56 0.557 11.426 -3.438 200 HB3 ARG 56 HB3 ARG 56 2.125 11.636 -2.684 201 HG2 ARG 56 HG2 ARG 56 0.495 13.997 -3.715 202 HG3 ARG 56 HG3 ARG 56 0.303 13.373 -2.088 203 HD2 ARG 56 HD2 ARG 56 2.620 13.870 -1.530 204 HD3 ARG 56 HD3 ARG 56 3.019 14.209 -3.202 205 HE ARG 56 HE ARG 56 1.847 16.059 -1.331 206 H ARG 57 HN ARG 57 1.264 9.779 -5.416 207 HA ARG 57 HA ARG 57 3.437 8.319 -4.615 208 HB2 ARG 57 HB2 ARG 57 0.936 7.858 -5.954 209 HB3 ARG 57 HB3 ARG 57 2.168 7.056 -6.908 210 HG2 ARG 57 HG2 ARG 57 2.014 5.349 -5.410 211 HG3 ARG 57 HG3 ARG 57 2.918 6.375 -4.314 212 HD2 ARG 57 HD2 ARG 57 -0.106 6.036 -4.475 213 HD3 ARG 57 HD3 ARG 57 0.940 5.675 -3.117 214 HE ARG 57 HE ARG 57 -0.193 8.251 -3.753 215 H GLU 58 HN GLU 58 3.018 10.408 -7.361 216 HA GLU 58 HA GLU 58 4.878 9.041 -9.026 217 HB2 GLU 58 HB2 GLU 58 4.195 10.503 -10.651 218 HB3 GLU 58 HB3 GLU 58 2.871 10.796 -9.541 219 HG2 GLU 58 HG2 GLU 58 4.097 12.726 -8.556 220 HG3 GLU 58 HG3 GLU 58 5.459 12.418 -9.614 221 HE2 GLU 58 HE2 GLU 58 5.090 12.972 -11.901 222 H ALA 59 HN ALA 59 4.860 12.020 -6.968 223 HA ALA 59 HA ALA 59 7.326 13.013 -7.535 224 HB1 ALA 59 HB1 ALA 59 6.536 12.910 -4.658 225 HB2 ALA 59 HB2 ALA 59 6.982 14.303 -5.673 226 HB3 ALA 59 HB3 ALA 59 5.348 13.604 -5.788 227 H ASN 60 HN ASN 60 6.499 10.423 -5.130 228 HA ASN 60 HA ASN 60 9.245 10.014 -4.560 229 HB2 ASN 60 HB2 ASN 60 6.624 8.717 -3.770 230 HB3 ASN 60 HB3 ASN 60 8.102 7.819 -3.485 231 HD21 ASN 60 HD2 ASN 60 7.374 11.300 -3.367 232 HD21 ASN 60 HD2 ASN 60 7.839 11.569 -1.721 233 H GLY 61 HN GLY 61 6.740 8.715 -6.731 234 HA2 GLY 61 HA1 GLY 61 7.078 7.489 -8.636 235 HA3 GLY 61 HA2 GLY 61 8.727 7.149 -8.150 236 H ILE 62 HN ILE 62 5.288 6.395 -7.288 237 HA ILE 62 HA ILE 62 6.161 3.654 -6.773 238 HB ILE 62 HB ILE 62 4.528 5.389 -4.927 239 HG12 ILE 62 HG1 ILE 62 7.170 3.943 -4.687 240 HG13 ILE 62 HG1 ILE 62 6.851 5.657 -4.512 241 HG22 ILE 62 HG2 ILE 62 4.872 2.777 -3.856 242 HG22 ILE 62 HG2 ILE 62 3.361 3.628 -4.260 243 HG22 ILE 62 HG2 ILE 62 4.165 2.613 -5.481 244 HD11 ILE 62 HD1 ILE 62 5.129 4.488 -2.629 245 HD11 ILE 62 HD1 ILE 62 6.611 3.508 -2.524 246 HD11 ILE 62 HD1 ILE 62 6.690 5.270 -2.281 247 H ARG 63 HN ARG 63 5.274 4.113 -9.192 248 HA ARG 63 HA ARG 63 2.408 3.627 -9.049 249 HB2 ARG 63 HB2 ARG 63 3.806 4.394 -11.623 250 HB3 ARG 63 HB3 ARG 63 2.149 4.702 -11.143 251 HG2 ARG 63 HG2 ARG 63 2.851 6.802 -10.610 252 HG3 ARG 63 HG3 ARG 63 3.570 6.076 -9.186 253 HD2 ARG 63 HD2 ARG 63 5.507 7.004 -10.015 254 HD3 ARG 63 HD3 ARG 63 5.553 5.549 -10.990 255 HE ARG 63 HE ARG 63 3.974 7.277 -12.486 256 H THR 64 HN THR 64 3.599 1.369 -8.441 257 HA THR 64 HA THR 64 3.349 -0.250 -10.819 258 HB THR 64 HB THR 64 5.639 -1.302 -10.370 259 HG1 THR 64 HG1 THR 64 5.830 1.205 -8.855 260 HG22 THR 64 HG2 THR 64 5.939 1.693 -10.855 261 HG22 THR 64 HG2 THR 64 6.911 0.366 -11.535 262 HG22 THR 64 HG2 THR 64 5.242 0.625 -12.097 263 H VAL 65 HN VAL 65 3.128 -2.535 -10.340 264 HA VAL 65 HA VAL 65 1.645 -2.915 -7.973 265 HB VAL 65 HB VAL 65 2.691 -4.714 -10.150 266 HG11 VAL 65 HG1 VAL 65 1.464 -5.454 -7.534 267 HG11 VAL 65 HG1 VAL 65 0.876 -6.307 -8.981 268 HG11 VAL 65 HG1 VAL 65 2.606 -6.351 -8.564 269 HG22 VAL 65 HG2 VAL 65 -0.067 -4.870 -10.078 270 HG22 VAL 65 HG2 VAL 65 0.245 -3.172 -9.644 271 HG22 VAL 65 HG2 VAL 65 0.891 -3.835 -11.165 272 H ARG 66 HN ARG 66 4.818 -4.309 -9.083 273 HA ARG 66 HA ARG 66 5.459 -5.705 -6.923 274 HB2 ARG 66 HB2 ARG 66 7.253 -3.895 -8.609 275 HB3 ARG 66 HB3 ARG 66 7.901 -5.027 -7.438 276 HG2 ARG 66 HG2 ARG 66 6.690 -6.898 -8.628 277 HG3 ARG 66 HG3 ARG 66 6.140 -5.747 -9.830 278 HD2 ARG 66 HD2 ARG 66 8.503 -5.219 -10.430 279 HD3 ARG 66 HD3 ARG 66 9.076 -6.325 -9.197 280 HE ARG 66 HE ARG 66 8.630 -8.111 -10.635 281 H ASP 67 HN ASP 67 6.477 -2.232 -7.399 282 HA ASP 67 HA ASP 67 7.660 -1.671 -5.148 283 HB2 ASP 67 HB2 ASP 67 5.507 -0.110 -6.613 284 HB3 ASP 67 HB3 ASP 67 6.264 0.576 -5.189 285 HD2 ASP 67 HD2 ASP 67 8.953 1.682 -6.830 286 H VAL 68 HN VAL 68 4.086 -2.035 -5.583 287 HA VAL 68 HA VAL 68 3.593 -1.509 -2.789 288 HB VAL 68 HB VAL 68 1.766 -2.395 -5.032 289 HG11 VAL 68 HG1 VAL 68 0.612 -2.946 -3.079 290 HG11 VAL 68 HG1 VAL 68 1.270 -1.559 -2.177 291 HG11 VAL 68 HG1 VAL 68 0.035 -1.300 -3.433 292 HG22 VAL 68 HG2 VAL 68 1.246 -0.155 -5.448 293 HG22 VAL 68 HG2 VAL 68 1.925 0.396 -3.898 294 HG22 VAL 68 HG2 VAL 68 3.010 -0.124 -5.210 295 H ALA 69 HN ALA 69 5.412 -3.508 -2.805 296 HA ALA 69 HA ALA 69 3.934 -5.641 -1.627 297 HB1 ALA 69 HB1 ALA 69 3.847 -7.083 -3.345 298 HB2 ALA 69 HB2 ALA 69 4.506 -5.824 -4.416 299 HB3 ALA 69 HB3 ALA 69 5.606 -6.943 -3.577 300 H ALA 70 HN ALA 70 7.032 -4.392 -2.986 301 HA ALA 70 HA ALA 70 8.613 -5.939 -1.183 302 HB1 ALA 70 HB1 ALA 70 9.819 -5.448 -3.075 303 HB2 ALA 70 HB2 ALA 70 9.021 -3.875 -3.308 304 HB3 ALA 70 HB3 ALA 70 10.305 -4.048 -2.089 305 H TYR 71 HN TYR 71 8.130 -2.404 -1.571 306 HA TYR 71 HA TYR 71 9.275 -1.501 0.758 307 HB2 TYR 71 HB2 TYR 71 7.188 -0.592 -1.094 308 HB3 TYR 71 HB3 TYR 71 6.989 0.054 0.543 309 HD1 TYR 71 HD1 TYR 71 7.618 2.303 0.350 310 HD2 TYR 71 HD2 TYR 71 10.153 -0.754 -1.287 311 HE1 TYR 71 HE1 TYR 71 9.370 3.999 -0.105 312 HE2 TYR 71 HE2 TYR 71 11.905 0.941 -1.741 313 HH TYR 71 HH TYR 71 11.980 3.539 -2.124 314 H ILE 72 HN ILE 72 5.746 -2.429 0.422 315 HA ILE 72 HA ILE 72 4.948 -2.041 2.950 316 HB ILE 72 HB ILE 72 3.390 -3.926 2.610 317 HG12 ILE 72 HG1 ILE 72 4.527 -4.420 -0.114 318 HG13 ILE 72 HG1 ILE 72 5.294 -5.199 1.255 319 HG22 ILE 72 HG2 ILE 72 3.750 -1.594 0.933 320 HG22 ILE 72 HG2 ILE 72 2.923 -2.898 0.049 321 HG22 ILE 72 HG2 ILE 72 2.259 -2.309 1.592 322 HD11 ILE 72 HD1 ILE 72 2.292 -5.322 0.729 323 HD11 ILE 72 HD1 ILE 72 3.445 -6.561 0.182 324 HD11 ILE 72 HD1 ILE 72 3.213 -6.269 1.922 325 H ARG 73 HN ARG 73 7.095 -4.643 1.759 326 HA ARG 73 HA ARG 73 7.002 -6.273 3.936 327 HB2 ARG 73 HB2 ARG 73 8.273 -6.506 1.654 328 HB3 ARG 73 HB3 ARG 73 9.592 -5.668 2.448 329 HG2 ARG 73 HG2 ARG 73 8.338 -8.062 3.813 330 HG3 ARG 73 HG3 ARG 73 9.462 -8.327 2.495 331 HD2 ARG 73 HD2 ARG 73 10.930 -6.529 3.895 332 HD3 ARG 73 HD3 ARG 73 9.973 -7.155 5.223 333 HE ARG 73 HE ARG 73 11.047 -9.307 3.589 334 H ASN 74 HN ASN 74 9.664 -3.877 3.237 335 HA ASN 74 HA ASN 74 9.814 -3.473 6.121 336 HB2 ASN 74 HB2 ASN 74 11.779 -4.730 4.877 337 HB3 ASN 74 HB3 ASN 74 12.193 -3.149 4.244 338 HD21 ASN 74 HD2 ASN 74 11.259 -4.689 7.319 339 HD21 ASN 74 HD2 ASN 74 12.404 -3.873 8.331 340 HA PRO 75 HA PRO 75 9.056 0.544 3.925 341 HB2 PRO 75 HB2 PRO 75 6.830 1.286 5.321 342 HB3 PRO 75 HB3 PRO 75 6.761 0.095 3.982 343 HG2 PRO 75 HG2 PRO 75 6.803 -0.318 6.848 344 HG3 PRO 75 HG3 PRO 75 5.804 -1.227 5.668 345 HD2 PRO 75 HD2 PRO 75 8.179 -2.177 6.800 346 HD3 PRO 75 HD3 PRO 75 7.578 -2.686 5.193 347 H GLY 76 HN GLY 76 8.778 2.838 5.089 348 HA2 GLY 76 HA1 GLY 76 10.756 2.872 7.209 349 HA3 GLY 76 HA2 GLY 76 10.064 4.241 6.362 350 HA PRO 77 HA PRO 77 8.356 4.027 10.714 351 HB2 PRO 77 HB2 PRO 77 8.667 6.770 11.084 352 HB3 PRO 77 HB3 PRO 77 9.926 5.547 11.453 353 HG2 PRO 77 HG2 PRO 77 9.534 7.166 9.114 354 HG3 PRO 77 HG3 PRO 77 11.147 6.985 9.878 355 HD2 PRO 77 HD2 PRO 77 10.628 5.552 7.702 356 HD3 PRO 77 HD3 PRO 77 11.281 4.675 9.120 357 H GLY 78 HN GLY 78 6.246 4.900 11.411 358 HA2 GLY 78 HA1 GLY 78 4.344 6.204 11.069 359 HA3 GLY 78 HA2 GLY 78 4.825 6.502 9.410 360 H MET 79 HN MET 79 5.500 3.681 8.783 361 HA MET 79 HA MET 79 2.791 2.594 8.866 362 HB2 MET 79 HB2 MET 79 3.890 3.510 6.607 363 HB3 MET 79 HB3 MET 79 4.788 2.006 6.643 364 HG2 MET 79 HG2 MET 79 2.806 0.673 6.469 365 HG3 MET 79 HG3 MET 79 1.764 1.995 6.955 366 HE1 MET 79 HE1 MET 79 2.872 0.799 2.804 367 HE2 MET 79 HE2 MET 79 4.065 0.558 4.103 368 HE3 MET 79 HE3 MET 79 2.433 -0.136 4.253 369 HA PRO 80 HA PRO 80 4.492 -0.829 11.046 370 HB2 PRO 80 HB2 PRO 80 2.261 -2.307 9.652 371 HB3 PRO 80 HB3 PRO 80 2.650 -2.151 11.396 372 HG2 PRO 80 HG2 PRO 80 0.561 -0.761 10.292 373 HG3 PRO 80 HG3 PRO 80 1.678 -0.291 11.615 374 HD2 PRO 80 HD2 PRO 80 1.654 0.524 8.671 375 HD3 PRO 80 HD3 PRO 80 1.948 1.537 10.117 376 H ALA 81 HN ALA 81 3.912 -3.543 9.752 377 HA ALA 81 HA ALA 81 5.321 -3.388 7.245 378 HB1 ALA 81 HB1 ALA 81 6.978 -3.357 9.329 379 HB2 ALA 81 HB2 ALA 81 6.630 -5.102 9.338 380 HB3 ALA 81 HB3 ALA 81 7.330 -4.342 7.889 381 H PHE 82 HN PHE 82 5.468 -5.607 6.234 382 HA PHE 82 HA PHE 82 3.641 -7.516 7.462 383 HB2 PHE 82 HB2 PHE 82 3.543 -6.412 4.589 384 HB3 PHE 82 HB3 PHE 82 2.516 -7.701 5.185 385 HD1 PHE 82 HD1 PHE 82 3.061 -4.119 5.081 386 HD2 PHE 82 HD2 PHE 82 0.751 -7.207 6.852 387 HE1 PHE 82 HE1 PHE 82 1.362 -2.425 5.818 388 HE2 PHE 82 HE2 PHE 82 -0.948 -5.514 7.589 389 HZ PHE 82 HZ PHE 82 -0.622 -3.143 7.064 390 H GLY 83 HN GLY 83 4.973 -9.264 7.701 391 HA2 GLY 83 HA1 GLY 83 6.942 -9.826 5.605 392 HA3 GLY 83 HA2 GLY 83 6.884 -10.509 7.217 393 H GLU 84 HN GLU 84 7.218 -12.564 5.860 394 HA GLU 84 HA GLU 84 4.877 -13.420 4.452 395 HB2 GLU 84 HB2 GLU 84 6.199 -15.428 3.929 396 HB3 GLU 84 HB3 GLU 84 7.136 -13.983 3.607 397 HG2 GLU 84 HG2 GLU 84 7.386 -15.129 6.368 398 HG3 GLU 84 HG3 GLU 84 8.080 -16.083 5.072 399 HE2 GLU 84 HE2 GLU 84 10.066 -15.314 4.304 400 H ALA 85 HN ALA 85 5.205 -12.935 7.575 401 HA ALA 85 HA ALA 85 4.736 -15.523 8.679 402 HB1 ALA 85 HB1 ALA 85 5.818 -13.713 9.946 403 HB2 ALA 85 HB2 ALA 85 4.350 -12.717 9.799 404 HB3 ALA 85 HB3 ALA 85 4.311 -14.223 10.746 405 H MET 86 HN MET 86 2.749 -12.708 7.633 406 HA MET 86 HA MET 86 0.408 -14.378 8.134 407 HB2 MET 86 HB2 MET 86 0.718 -12.076 9.335 408 HB3 MET 86 HB3 MET 86 0.468 -11.339 7.765 409 HG2 MET 86 HG2 MET 86 -1.778 -12.201 7.593 410 HG3 MET 86 HG3 MET 86 -1.529 -13.338 8.902 411 HE1 MET 86 HE1 MET 86 -1.525 -11.420 12.059 412 HE2 MET 86 HE2 MET 86 -0.720 -12.691 11.107 413 HE3 MET 86 HE3 MET 86 0.004 -11.069 11.219 414 H ILE 87 HN ILE 87 1.712 -11.801 5.922 415 HA ILE 87 HA ILE 87 0.174 -13.090 3.774 416 HB ILE 87 HB ILE 87 0.922 -10.176 4.042 417 HG12 ILE 87 HG1 ILE 87 -1.520 -11.715 4.824 418 HG13 ILE 87 HG1 ILE 87 -0.737 -10.368 5.626 419 HG22 ILE 87 HG2 ILE 87 0.761 -11.170 1.711 420 HG22 ILE 87 HG2 ILE 87 -0.968 -11.430 2.046 421 HG22 ILE 87 HG2 ILE 87 -0.297 -9.781 2.059 422 HD11 ILE 87 HD1 ILE 87 -2.744 -9.455 4.711 423 HD11 ILE 87 HD1 ILE 87 -1.461 -8.930 3.594 424 HD11 ILE 87 HD1 ILE 87 -2.514 -10.297 3.160 425 HA PRO 88 HA PRO 88 4.258 -13.997 2.313 426 HB2 PRO 88 HB2 PRO 88 3.471 -15.533 0.201 427 HB3 PRO 88 HB3 PRO 88 3.295 -16.090 1.897 428 HG2 PRO 88 HG2 PRO 88 1.543 -14.790 0.203 429 HG3 PRO 88 HG3 PRO 88 0.894 -16.239 1.038 430 HD2 PRO 88 HD2 PRO 88 0.191 -13.885 1.998 431 HD3 PRO 88 HD3 PRO 88 0.903 -15.035 3.171 432 HA PRO 89 HA PRO 89 5.002 -10.600 -0.393 433 HB2 PRO 89 HB2 PRO 89 6.824 -12.623 -1.740 434 HB3 PRO 89 HB3 PRO 89 7.138 -10.936 -1.215 435 HG2 PRO 89 HG2 PRO 89 7.981 -13.109 0.329 436 HG3 PRO 89 HG3 PRO 89 7.447 -11.454 0.769 437 HD2 PRO 89 HD2 PRO 89 6.027 -14.120 1.036 438 HD3 PRO 89 HD3 PRO 89 5.908 -12.663 2.070 439 H ALA 90 HN ALA 90 4.628 -13.942 -1.824 440 HA ALA 90 HA ALA 90 3.938 -13.072 -4.370 441 HB1 ALA 90 HB1 ALA 90 4.401 -15.465 -3.166 442 HB2 ALA 90 HB2 ALA 90 2.628 -15.526 -3.309 443 HB3 ALA 90 HB3 ALA 90 3.631 -15.300 -4.762 444 H ASP 91 HN ASP 91 1.962 -13.637 -1.406 445 HA ASP 91 HA ASP 91 -0.468 -13.185 -2.721 446 HB2 ASP 91 HB2 ASP 91 0.423 -13.141 0.186 447 HB3 ASP 91 HB3 ASP 91 -1.224 -12.726 -0.247 448 HD2 ASP 91 HD2 ASP 91 -2.349 -15.211 0.328 449 H ALA 92 HN ALA 92 2.146 -11.148 -1.890 450 HA ALA 92 HA ALA 92 0.552 -8.829 -1.226 451 HB1 ALA 92 HB1 ALA 92 2.472 -8.263 -0.210 452 HB2 ALA 92 HB2 ALA 92 3.254 -9.721 -0.866 453 HB3 ALA 92 HB3 ALA 92 3.291 -8.200 -1.789 454 H LEU 93 HN LEU 93 2.215 -10.322 -4.002 455 HA LEU 93 HA LEU 93 2.278 -8.062 -5.643 456 HB2 LEU 93 HB2 LEU 93 2.225 -11.021 -6.208 457 HB3 LEU 93 HB3 LEU 93 2.350 -9.819 -7.478 458 HG LEU 93 HG LEU 93 4.313 -10.027 -5.181 459 HD11 LEU 93 HD1 LEU 93 5.830 -11.060 -6.928 460 HD11 LEU 93 HD1 LEU 93 4.517 -12.092 -6.313 461 HD11 LEU 93 HD1 LEU 93 4.369 -11.322 -7.911 462 HD22 LEU 93 HD2 LEU 93 5.106 -8.103 -5.944 463 HD22 LEU 93 HD2 LEU 93 5.461 -8.886 -7.503 464 HD22 LEU 93 HD2 LEU 93 3.893 -8.082 -7.247 465 H LYS 94 HN LYS 94 -0.353 -9.965 -4.434 466 HA LYS 94 HA LYS 94 -2.088 -9.312 -6.652 467 HB2 LYS 94 HB2 LYS 94 -3.420 -10.949 -5.874 468 HB3 LYS 94 HB3 LYS 94 -1.996 -11.435 -4.977 469 HG2 LYS 94 HG2 LYS 94 -2.940 -9.629 -3.208 470 HG3 LYS 94 HG3 LYS 94 -4.458 -9.998 -4.001 471 HD2 LYS 94 HD2 LYS 94 -2.695 -12.302 -3.159 472 HD3 LYS 94 HD3 LYS 94 -3.583 -11.444 -1.916 473 HE2 LYS 94 HE2 LYS 94 -4.919 -12.532 -4.434 474 HE3 LYS 94 HE3 LYS 94 -4.778 -13.469 -2.960 475 HZ1 LYS 94 HZ1 LYS 94 -6.474 -11.169 -3.489 476 HZ2 LYS 94 HZ2 LYS 94 -6.744 -12.440 -2.507 477 H ILE 95 HN ILE 95 -1.124 -8.053 -3.505 478 HA ILE 95 HA ILE 95 -3.440 -6.470 -3.101 479 HB ILE 95 HB ILE 95 -0.661 -6.146 -1.966 480 HG12 ILE 95 HG1 ILE 95 -1.672 -8.451 -1.706 481 HG13 ILE 95 HG1 ILE 95 -1.230 -7.628 -0.224 482 HG22 ILE 95 HG2 ILE 95 -3.369 -5.146 -1.051 483 HG22 ILE 95 HG2 ILE 95 -1.887 -5.096 -0.067 484 HG22 ILE 95 HG2 ILE 95 -1.976 -4.175 -1.587 485 HD11 ILE 95 HD1 ILE 95 -3.639 -8.793 -0.550 486 HD11 ILE 95 HD1 ILE 95 -3.428 -7.333 0.446 487 HD11 ILE 95 HD1 ILE 95 -4.028 -7.192 -1.224 488 H GLY 96 HN GLY 96 -0.130 -5.831 -4.428 489 HA2 GLY 96 HA1 GLY 96 -0.236 -3.161 -4.888 490 HA3 GLY 96 HA2 GLY 96 0.535 -4.312 -5.960 491 H GLU 97 HN GLU 97 -2.110 -5.721 -6.512 492 HA GLU 97 HA GLU 97 -2.765 -4.223 -8.771 493 HB2 GLU 97 HB2 GLU 97 -4.501 -6.397 -7.547 494 HB3 GLU 97 HB3 GLU 97 -4.359 -5.964 -9.238 495 HG2 GLU 97 HG2 GLU 97 -1.837 -6.605 -9.000 496 HG3 GLU 97 HG3 GLU 97 -2.300 -7.366 -7.491 497 HE2 GLU 97 HE2 GLU 97 -3.198 -8.972 -10.998 498 H TYR 98 HN TYR 98 -4.449 -4.848 -5.679 499 HA TYR 98 HA TYR 98 -6.834 -3.509 -6.078 500 HB2 TYR 98 HB2 TYR 98 -6.147 -4.792 -4.053 501 HB3 TYR 98 HB3 TYR 98 -5.114 -3.433 -3.577 502 HD1 TYR 98 HD1 TYR 98 -5.973 -1.747 -2.218 503 HD2 TYR 98 HD2 TYR 98 -8.676 -4.247 -4.430 504 HE1 TYR 98 HE1 TYR 98 -7.896 -0.689 -1.064 505 HE2 TYR 98 HE2 TYR 98 -10.599 -3.189 -3.276 506 HH TYR 98 HH TYR 98 -11.079 -1.924 -1.154 507 H VAL 99 HN VAL 99 -3.559 -2.123 -5.719 508 HA VAL 99 HA VAL 99 -4.752 0.534 -5.509 509 HB VAL 99 HB VAL 99 -1.944 -0.531 -5.184 510 HG11 VAL 99 HG1 VAL 99 -1.345 1.523 -5.956 511 HG11 VAL 99 HG1 VAL 99 -2.928 2.249 -5.588 512 HG11 VAL 99 HG1 VAL 99 -1.737 2.002 -4.287 513 HG22 VAL 99 HG2 VAL 99 -4.144 0.288 -3.339 514 HG22 VAL 99 HG2 VAL 99 -2.926 -1.000 -3.174 515 HG22 VAL 99 HG2 VAL 99 -2.477 0.695 -2.867 516 H VAL 100 HN VAL 100 -5.148 -1.013 -7.936 517 HA VAL 100 HA VAL 100 -3.904 0.861 -9.765 518 HB VAL 100 HB VAL 100 -3.569 -2.138 -9.939 519 HG11 VAL 100 HG1 VAL 100 -3.858 -1.787 -12.160 520 HG11 VAL 100 HG1 VAL 100 -3.535 -0.041 -12.039 521 HG11 VAL 100 HG1 VAL 100 -2.181 -1.197 -12.067 522 HG22 VAL 100 HG2 VAL 100 -1.159 -1.592 -10.024 523 HG22 VAL 100 HG2 VAL 100 -1.552 0.129 -9.797 524 HG22 VAL 100 HG2 VAL 100 -1.921 -1.045 -8.511 525 H ALA 101 HN ALA 101 -6.608 0.054 -8.498 526 HA ALA 101 HA ALA 101 -8.005 -0.217 -11.067 527 HB1 ALA 101 HB1 ALA 101 -8.715 -1.503 -8.399 528 HB2 ALA 101 HB2 ALA 101 -9.717 -1.558 -9.869 529 HB3 ALA 101 HB3 ALA 101 -8.122 -2.346 -9.849 530 H SER 102 HN SER 102 -7.076 2.089 -9.243 531 HA SER 102 HA SER 102 -9.603 3.425 -9.339 532 HB2 SER 102 HB2 SER 102 -9.037 4.311 -6.885 533 HB3 SER 102 HB3 SER 102 -9.989 2.860 -7.129 534 HG SER 102 HG SER 102 -8.163 1.563 -6.718 535 H PHE 103 HN PHE 103 -6.122 3.460 -8.356 536 HA PHE 103 HA PHE 103 -5.773 5.877 -9.896 537 HB2 PHE 103 HB2 PHE 103 -4.394 6.559 -7.611 538 HB3 PHE 103 HB3 PHE 103 -6.042 7.080 -7.902 539 HD1 PHE 103 HD1 PHE 103 -4.684 3.763 -6.860 540 HD2 PHE 103 HD2 PHE 103 -7.129 7.085 -5.863 541 HE1 PHE 103 HE1 PHE 103 -5.425 2.590 -4.768 542 HE2 PHE 103 HE2 PHE 103 -7.870 5.912 -3.771 543 HZ PHE 103 HZ PHE 103 -7.009 3.678 -3.249 544 HA PRO 104 HA PRO 104 -2.576 2.610 -10.561 545 HB2 PRO 104 HB2 PRO 104 -2.339 4.601 -12.858 546 HB3 PRO 104 HB3 PRO 104 -2.167 2.815 -12.844 547 HG2 PRO 104 HG2 PRO 104 -4.434 3.994 -13.633 548 HG3 PRO 104 HG3 PRO 104 -4.625 2.481 -12.690 549 HD2 PRO 104 HD2 PRO 104 -5.003 5.365 -11.873 550 HD3 PRO 104 HD3 PRO 104 -5.780 3.890 -11.221 Start of MODEL 5 1 H ALA 25 HN ALA 25 -11.591 -6.577 -6.898 2 HA ALA 25 HA ALA 25 -12.460 -8.308 -5.230 3 HB1 ALA 25 HB1 ALA 25 -11.949 -9.854 -7.640 4 HB2 ALA 25 HB2 ALA 25 -13.475 -9.156 -7.048 5 HB3 ALA 25 HB3 ALA 25 -12.376 -8.175 -8.046 6 H GLY 26 HN GLY 26 -11.237 -9.157 -3.566 7 HA2 GLY 26 HA1 GLY 26 -10.200 -11.212 -2.917 8 HA3 GLY 26 HA2 GLY 26 -9.219 -11.158 -4.368 9 H GLY 27 HN GLY 27 -7.765 -9.107 -4.599 10 HA2 GLY 27 HA1 GLY 27 -5.996 -9.008 -2.442 11 HA3 GLY 27 HA2 GLY 27 -6.043 -7.904 -3.803 12 H GLY 28 HN GLY 28 -8.938 -7.145 -3.186 13 HA2 GLY 28 HA1 GLY 28 -8.380 -4.892 -1.569 14 HA3 GLY 28 HA2 GLY 28 -9.948 -5.426 -2.141 15 H GLU 29 HN GLU 29 -10.057 -8.048 -0.980 16 HA GLU 29 HA GLU 29 -11.076 -7.451 1.481 17 HB2 GLU 29 HB2 GLU 29 -11.575 -9.500 0.134 18 HB3 GLU 29 HB3 GLU 29 -9.988 -10.135 0.521 19 HG2 GLU 29 HG2 GLU 29 -10.877 -11.037 2.402 20 HG3 GLU 29 HG3 GLU 29 -11.074 -9.413 3.029 21 HE2 GLU 29 HE2 GLU 29 -14.266 -11.145 1.280 22 H LEU 30 HN LEU 30 -7.750 -8.107 0.492 23 HA LEU 30 HA LEU 30 -6.874 -8.627 3.188 24 HB2 LEU 30 HB2 LEU 30 -5.300 -8.208 0.643 25 HB3 LEU 30 HB3 LEU 30 -4.659 -8.773 2.174 26 HG LEU 30 HG LEU 30 -6.424 -10.210 0.211 27 HD11 LEU 30 HD1 LEU 30 -3.685 -10.278 0.881 28 HD11 LEU 30 HD1 LEU 30 -4.393 -11.792 1.493 29 HD11 LEU 30 HD1 LEU 30 -4.576 -11.354 -0.222 30 HD22 LEU 30 HD2 LEU 30 -6.378 -10.574 3.175 31 HD22 LEU 30 HD2 LEU 30 -7.708 -10.784 2.010 32 HD22 LEU 30 HD2 LEU 30 -6.437 -12.023 2.142 33 H PHE 31 HN PHE 31 -6.872 -5.950 0.789 34 HA PHE 31 HA PHE 31 -5.284 -4.253 2.414 35 HB2 PHE 31 HB2 PHE 31 -5.429 -3.944 -0.016 36 HB3 PHE 31 HB3 PHE 31 -7.181 -3.971 0.021 37 HD1 PHE 31 HD1 PHE 31 -8.294 -2.032 1.418 38 HD2 PHE 31 HD2 PHE 31 -4.347 -1.903 -0.135 39 HE1 PHE 31 HE1 PHE 31 -8.329 0.475 1.536 40 HE2 PHE 31 HE2 PHE 31 -4.382 0.604 -0.016 41 HZ PHE 31 HZ PHE 31 -6.373 1.763 0.818 42 H ALA 32 HN ALA 32 -8.679 -5.150 2.331 43 HA ALA 32 HA ALA 32 -9.431 -2.769 3.833 44 HB1 ALA 32 HB1 ALA 32 -10.707 -4.538 1.974 45 HB2 ALA 32 HB2 ALA 32 -11.570 -4.654 3.526 46 HB3 ALA 32 HB3 ALA 32 -11.366 -3.071 2.737 47 H THR 33 HN THR 33 -7.532 -4.265 5.199 48 HA THR 33 HA THR 33 -8.902 -4.839 7.591 49 HB THR 33 HB THR 33 -8.197 -7.133 5.739 50 HG1 THR 33 HG1 THR 33 -10.200 -6.424 7.767 51 HG22 THR 33 HG2 THR 33 -7.664 -6.994 8.666 52 HG22 THR 33 HG2 THR 33 -8.747 -8.323 8.188 53 HG22 THR 33 HG2 THR 33 -7.120 -8.201 7.477 54 H HIS 34 HN HIS 34 -5.982 -5.270 5.551 55 HA HIS 34 HA HIS 34 -4.393 -4.960 7.981 56 HB2 HIS 34 HB2 HIS 34 -3.499 -5.826 5.218 57 HB3 HIS 34 HB3 HIS 34 -2.530 -5.827 6.679 58 HD1 HIS 34 HD1 HIS 34 -3.256 -7.596 8.583 59 HD2 HIS 34 HD2 HIS 34 -5.053 -8.090 4.825 60 HE1 HIS 34 HE1 HIS 34 -4.239 -9.950 8.564 61 H CYS 35 HN CYS 35 -5.811 -3.143 5.537 62 HA CYS 35 HA CYS 35 -3.741 -1.100 5.855 63 HB2 CYS 35 HB2 CYS 35 -5.301 -1.361 3.300 64 HB3 CYS 35 HB3 CYS 35 -3.838 -0.449 3.611 65 H ALA 36 HN ALA 36 -7.158 -1.948 4.989 66 HA ALA 36 HA ALA 36 -8.395 0.408 4.943 67 HB1 ALA 36 HB1 ALA 36 -10.049 -1.121 6.604 68 HB2 ALA 36 HB2 ALA 36 -10.023 -1.145 4.824 69 HB3 ALA 36 HB3 ALA 36 -9.060 -2.326 5.744 70 H GLY 37 HN GLY 37 -6.925 -1.143 7.806 71 HA2 GLY 37 HA1 GLY 37 -8.024 0.798 9.642 72 HA3 GLY 37 HA2 GLY 37 -6.881 -0.485 9.989 73 H CYS 38 HN CYS 38 -6.757 2.225 7.572 74 HA CYS 38 HA CYS 38 -5.158 3.945 8.903 75 HB2 CYS 38 HB2 CYS 38 -3.639 1.556 8.230 76 HB3 CYS 38 HB3 CYS 38 -2.964 2.969 7.443 77 H HIS 39 HN HIS 39 -5.906 2.128 5.931 78 HA HIS 39 HA HIS 39 -5.602 4.631 4.436 79 HB2 HIS 39 HB2 HIS 39 -5.121 1.768 3.604 80 HB3 HIS 39 HB3 HIS 39 -5.396 3.037 2.428 81 HD1 HIS 39 HD1 HIS 39 -3.675 5.280 2.987 82 HD2 HIS 39 HD2 HIS 39 -2.463 1.409 4.055 83 HE1 HIS 39 HE1 HIS 39 -1.137 5.369 3.237 84 HA PRO 40 HA PRO 40 -10.059 3.265 4.655 85 HB2 PRO 40 HB2 PRO 40 -11.075 5.413 5.948 86 HB3 PRO 40 HB3 PRO 40 -10.196 4.130 6.842 87 HG2 PRO 40 HG2 PRO 40 -8.765 6.894 5.930 88 HG3 PRO 40 HG3 PRO 40 -9.079 5.981 7.442 89 HD2 PRO 40 HD2 PRO 40 -6.865 5.606 5.742 90 HD3 PRO 40 HD3 PRO 40 -7.502 4.359 6.857 91 H GLN 41 HN GLN 41 -11.171 3.648 2.739 92 HA GLN 41 HA GLN 41 -11.658 4.571 0.824 93 HB2 GLN 41 HB2 GLN 41 -12.139 6.679 2.872 94 HB3 GLN 41 HB3 GLN 41 -12.104 7.258 1.219 95 HG2 GLN 41 HG2 GLN 41 -13.842 5.660 0.552 96 HG3 GLN 41 HG3 GLN 41 -13.784 4.872 2.116 97 HE21 GLN 41 HE2 GLN 41 -15.765 5.236 2.868 98 HE21 GLN 41 HE2 GLN 41 -16.473 6.789 3.163 99 H GLY 42 HN GLY 42 -9.069 4.114 0.654 100 HA2 GLY 42 HA1 GLY 42 -7.065 4.770 -0.148 101 HA3 GLY 42 HA2 GLY 42 -8.019 5.782 -1.214 102 H GLY 43 HN GLY 43 -8.204 6.302 2.286 103 HA2 GLY 43 HA1 GLY 43 -6.786 8.861 1.913 104 HA3 GLY 43 HA2 GLY 43 -8.015 8.521 3.114 105 H ASN 44 HN ASN 44 -6.601 9.210 4.843 106 HA ASN 44 HA ASN 44 -5.011 7.066 5.795 107 HB2 ASN 44 HB2 ASN 44 -3.722 9.255 4.371 108 HB3 ASN 44 HB3 ASN 44 -3.259 9.339 6.059 109 HD21 ASN 44 HD2 ASN 44 -1.436 8.793 4.095 110 HD21 ASN 44 HD2 ASN 44 -0.859 7.165 4.220 111 H THR 45 HN THR 45 -4.472 7.435 8.121 112 HA THR 45 HA THR 45 -5.922 9.739 9.253 113 HB THR 45 HB THR 45 -6.459 8.196 11.144 114 HG1 THR 45 HG1 THR 45 -5.282 6.198 9.363 115 HG22 THR 45 HG2 THR 45 -7.037 6.888 8.434 116 HG22 THR 45 HG2 THR 45 -7.899 6.556 9.956 117 HG22 THR 45 HG2 THR 45 -8.039 8.154 9.184 118 H VAL 46 HN VAL 46 -2.894 8.616 8.548 119 HA VAL 46 HA VAL 46 -1.796 9.636 11.072 120 HB VAL 46 HB VAL 46 -0.573 7.878 8.935 121 HG11 VAL 46 HG1 VAL 46 0.942 9.524 10.257 122 HG11 VAL 46 HG1 VAL 46 0.649 8.435 11.634 123 HG11 VAL 46 HG1 VAL 46 1.416 7.812 10.154 124 HG22 VAL 46 HG2 VAL 46 -1.409 6.127 10.031 125 HG22 VAL 46 HG2 VAL 46 -0.672 6.688 11.551 126 HG22 VAL 46 HG2 VAL 46 -2.300 7.241 11.094 127 H HIS 47 HN HIS 47 -1.221 9.625 7.481 128 HA HIS 47 HA HIS 47 -0.183 12.344 7.830 129 HB2 HIS 47 HB2 HIS 47 0.641 10.172 5.890 130 HB3 HIS 47 HB3 HIS 47 1.106 11.851 5.701 131 HD1 HIS 47 HD1 HIS 47 3.488 10.238 5.960 132 HD2 HIS 47 HD2 HIS 47 1.338 11.360 9.383 133 HE1 HIS 47 HE1 HIS 47 5.107 10.030 7.921 134 HA PRO 48 HA PRO 48 -3.767 13.193 5.318 135 HB2 PRO 48 HB2 PRO 48 -4.068 15.769 5.986 136 HB3 PRO 48 HB3 PRO 48 -4.273 14.499 7.237 137 HG2 PRO 48 HG2 PRO 48 -1.883 16.024 6.575 138 HG3 PRO 48 HG3 PRO 48 -2.409 15.920 8.286 139 HD2 PRO 48 HD2 PRO 48 -0.431 14.325 7.360 140 HD3 PRO 48 HD3 PRO 48 -1.690 13.636 8.429 141 H GLU 49 HN GLU 49 -0.617 13.458 4.607 142 HA GLU 49 HA GLU 49 -1.202 15.189 2.343 143 HB2 GLU 49 HB2 GLU 49 1.138 16.073 2.468 144 HB3 GLU 49 HB3 GLU 49 0.163 16.526 3.852 145 HG2 GLU 49 HG2 GLU 49 1.279 15.040 5.306 146 HG3 GLU 49 HG3 GLU 49 1.795 13.985 4.006 147 HE2 GLU 49 HE2 GLU 49 4.728 15.545 4.934 148 H LYS 50 HN LYS 50 -0.700 12.124 3.306 149 HA LYS 50 HA LYS 50 0.803 11.486 0.871 150 HB2 LYS 50 HB2 LYS 50 1.136 10.079 3.536 151 HB3 LYS 50 HB3 LYS 50 1.962 9.693 2.040 152 HG2 LYS 50 HG2 LYS 50 2.237 12.544 2.731 153 HG3 LYS 50 HG3 LYS 50 2.835 11.507 4.011 154 HD2 LYS 50 HD2 LYS 50 4.721 11.129 2.816 155 HD3 LYS 50 HD3 LYS 50 3.767 10.361 1.562 156 HE2 LYS 50 HE2 LYS 50 3.332 12.616 0.535 157 HE3 LYS 50 HE3 LYS 50 4.325 13.360 1.772 158 HZ1 LYS 50 HZ1 LYS 50 5.240 11.420 -0.278 159 HZ2 LYS 50 HZ2 LYS 50 5.697 12.976 -0.134 160 H THR 51 HN THR 51 -1.170 11.144 -0.253 161 HA THR 51 HA THR 51 -2.871 9.019 0.848 162 HB THR 51 HB THR 51 -4.558 9.935 -0.705 163 HG1 THR 51 HG1 THR 51 -3.667 11.903 -1.939 164 HG22 THR 51 HG2 THR 51 -3.451 11.449 1.412 165 HG22 THR 51 HG2 THR 51 -3.494 12.578 0.036 166 HG22 THR 51 HG2 THR 51 -4.990 11.781 0.581 167 H LEU 52 HN LEU 52 -4.024 7.972 -1.395 168 HA LEU 52 HA LEU 52 -1.729 6.570 -2.531 169 HB2 LEU 52 HB2 LEU 52 -4.665 5.866 -2.421 170 HB3 LEU 52 HB3 LEU 52 -3.429 4.892 -3.192 171 HG LEU 52 HG LEU 52 -3.616 5.549 -0.240 172 HD11 LEU 52 HD1 LEU 52 -5.231 3.935 -0.577 173 HD11 LEU 52 HD1 LEU 52 -4.326 3.143 -1.888 174 HD11 LEU 52 HD1 LEU 52 -3.799 2.947 -0.199 175 HD22 LEU 52 HD2 LEU 52 -1.559 3.872 -1.703 176 HD22 LEU 52 HD2 LEU 52 -1.280 5.451 -0.930 177 HD22 LEU 52 HD2 LEU 52 -1.710 4.037 0.062 178 H ALA 53 HN ALA 53 -2.751 9.362 -3.276 179 HA ALA 53 HA ALA 53 -3.815 8.930 -5.926 180 HB1 ALA 53 HB1 ALA 53 -2.938 11.474 -4.500 181 HB2 ALA 53 HB2 ALA 53 -3.904 11.375 -5.991 182 HB3 ALA 53 HB3 ALA 53 -4.580 10.789 -4.452 183 H ARG 54 HN ARG 54 -2.683 9.089 -7.852 184 HA ARG 54 HA ARG 54 -0.031 8.497 -7.832 185 HB2 ARG 54 HB2 ARG 54 -1.571 8.184 -9.780 186 HB3 ARG 54 HB3 ARG 54 -1.628 9.918 -10.024 187 HG2 ARG 54 HG2 ARG 54 1.075 9.574 -10.052 188 HG3 ARG 54 HG3 ARG 54 0.592 7.986 -10.614 189 HD2 ARG 54 HD2 ARG 54 -0.915 10.162 -11.938 190 HD3 ARG 54 HD3 ARG 54 0.814 10.286 -12.198 191 HE ARG 54 HE ARG 54 -0.959 8.182 -13.209 192 H ALA 55 HN ALA 55 -1.697 11.683 -8.057 193 HA ALA 55 HA ALA 55 0.303 13.333 -8.816 194 HB1 ALA 55 HB1 ALA 55 -2.127 13.839 -8.173 195 HB2 ALA 55 HB2 ALA 55 -1.553 13.940 -6.491 196 HB3 ALA 55 HB3 ALA 55 -0.917 15.063 -7.717 197 H ARG 56 HN ARG 56 -0.328 12.141 -5.444 198 HA ARG 56 HA ARG 56 2.089 13.354 -4.566 199 HB2 ARG 56 HB2 ARG 56 -0.255 12.019 -3.355 200 HB3 ARG 56 HB3 ARG 56 1.239 11.566 -2.559 201 HG2 ARG 56 HG2 ARG 56 0.578 13.516 -1.391 202 HG3 ARG 56 HG3 ARG 56 1.785 14.115 -2.511 203 HD2 ARG 56 HD2 ARG 56 0.159 15.092 -3.950 204 HD3 ARG 56 HD3 ARG 56 -1.137 14.089 -3.329 205 HE ARG 56 HE ARG 56 -0.286 16.622 -2.250 206 H ARG 57 HN ARG 57 0.881 10.103 -5.472 207 HA ARG 57 HA ARG 57 2.984 8.652 -4.425 208 HB2 ARG 57 HB2 ARG 57 0.658 8.174 -6.038 209 HB3 ARG 57 HB3 ARG 57 2.007 7.458 -6.895 210 HG2 ARG 57 HG2 ARG 57 1.993 5.707 -5.459 211 HG3 ARG 57 HG3 ARG 57 2.364 6.791 -4.133 212 HD2 ARG 57 HD2 ARG 57 0.308 6.326 -3.282 213 HD3 ARG 57 HD3 ARG 57 -0.384 7.229 -4.615 214 HE ARG 57 HE ARG 57 -0.182 4.290 -4.398 215 H GLU 58 HN GLU 58 2.862 10.903 -7.037 216 HA GLU 58 HA GLU 58 4.892 9.642 -8.592 217 HB2 GLU 58 HB2 GLU 58 4.383 11.213 -10.181 218 HB3 GLU 58 HB3 GLU 58 2.935 11.410 -9.215 219 HG2 GLU 58 HG2 GLU 58 4.044 13.265 -7.942 220 HG3 GLU 58 HG3 GLU 58 5.483 13.073 -8.924 221 HE2 GLU 58 HE2 GLU 58 2.905 15.008 -8.760 222 H ALA 59 HN ALA 59 4.621 12.453 -6.331 223 HA ALA 59 HA ALA 59 7.142 13.479 -6.577 224 HB1 ALA 59 HB1 ALA 59 4.911 13.756 -4.880 225 HB2 ALA 59 HB2 ALA 59 6.277 13.398 -3.797 226 HB3 ALA 59 HB3 ALA 59 6.366 14.781 -4.914 227 H ASN 60 HN ASN 60 6.038 10.863 -4.306 228 HA ASN 60 HA ASN 60 8.702 10.379 -3.495 229 HB2 ASN 60 HB2 ASN 60 6.016 9.026 -3.042 230 HB3 ASN 60 HB3 ASN 60 7.483 8.212 -2.536 231 HD21 ASN 60 HD2 ASN 60 7.063 11.699 -2.636 232 HD21 ASN 60 HD2 ASN 60 7.108 11.996 -0.931 233 H GLY 61 HN GLY 61 6.380 9.118 -5.898 234 HA2 GLY 61 HA1 GLY 61 6.875 7.928 -7.792 235 HA3 GLY 61 HA2 GLY 61 8.486 7.596 -7.187 236 H ILE 62 HN ILE 62 5.019 6.690 -6.899 237 HA ILE 62 HA ILE 62 5.894 4.000 -6.206 238 HB ILE 62 HB ILE 62 3.791 5.504 -4.645 239 HG12 ILE 62 HG1 ILE 62 6.689 4.928 -4.098 240 HG13 ILE 62 HG1 ILE 62 5.789 6.414 -3.871 241 HG22 ILE 62 HG2 ILE 62 3.503 2.993 -5.044 242 HG22 ILE 62 HG2 ILE 62 4.938 2.786 -4.012 243 HG22 ILE 62 HG2 ILE 62 3.478 3.568 -3.359 244 HD11 ILE 62 HD1 ILE 62 5.799 3.924 -2.153 245 HD11 ILE 62 HD1 ILE 62 5.991 5.625 -1.667 246 HD11 ILE 62 HD1 ILE 62 4.387 5.007 -2.128 247 H ARG 63 HN ARG 63 5.346 4.383 -8.711 248 HA ARG 63 HA ARG 63 2.497 3.845 -8.970 249 HB2 ARG 63 HB2 ARG 63 4.253 4.660 -11.307 250 HB3 ARG 63 HB3 ARG 63 2.524 4.873 -11.116 251 HG2 ARG 63 HG2 ARG 63 2.929 6.984 -10.394 252 HG3 ARG 63 HG3 ARG 63 3.637 6.298 -8.944 253 HD2 ARG 63 HD2 ARG 63 5.331 6.485 -11.448 254 HD3 ARG 63 HD3 ARG 63 5.059 7.933 -10.500 255 HE ARG 63 HE ARG 63 5.820 6.209 -8.546 256 H THR 64 HN THR 64 3.635 1.618 -8.185 257 HA THR 64 HA THR 64 3.722 -0.032 -10.542 258 HB THR 64 HB THR 64 5.991 -0.974 -9.930 259 HG1 THR 64 HG1 THR 64 7.139 0.668 -8.438 260 HG22 THR 64 HG2 THR 64 6.176 2.060 -10.241 261 HG22 THR 64 HG2 THR 64 7.342 0.837 -10.800 262 HG22 THR 64 HG2 THR 64 5.760 0.991 -11.601 263 H VAL 65 HN VAL 65 3.249 -2.208 -10.121 264 HA VAL 65 HA VAL 65 1.717 -2.612 -7.807 265 HB VAL 65 HB VAL 65 2.758 -4.350 -10.026 266 HG11 VAL 65 HG1 VAL 65 1.837 -5.241 -7.404 267 HG11 VAL 65 HG1 VAL 65 0.815 -5.864 -8.722 268 HG11 VAL 65 HG1 VAL 65 2.569 -6.169 -8.735 269 HG22 VAL 65 HG2 VAL 65 0.631 -2.623 -9.878 270 HG22 VAL 65 HG2 VAL 65 0.757 -4.001 -10.999 271 HG22 VAL 65 HG2 VAL 65 -0.131 -4.178 -9.466 272 H ARG 66 HN ARG 66 4.962 -3.890 -8.821 273 HA ARG 66 HA ARG 66 5.489 -5.443 -6.718 274 HB2 ARG 66 HB2 ARG 66 7.222 -3.633 -8.415 275 HB3 ARG 66 HB3 ARG 66 7.966 -4.450 -7.055 276 HG2 ARG 66 HG2 ARG 66 6.274 -6.293 -8.591 277 HG3 ARG 66 HG3 ARG 66 7.473 -5.536 -9.621 278 HD2 ARG 66 HD2 ARG 66 8.779 -6.258 -7.149 279 HD3 ARG 66 HD3 ARG 66 7.855 -7.647 -7.685 280 HE ARG 66 HE ARG 66 9.443 -7.943 -9.359 281 H ASP 67 HN ASP 67 6.576 -1.965 -6.934 282 HA ASP 67 HA ASP 67 7.597 -1.545 -4.579 283 HB2 ASP 67 HB2 ASP 67 5.629 0.117 -6.166 284 HB3 ASP 67 HB3 ASP 67 6.168 0.717 -4.610 285 HD2 ASP 67 HD2 ASP 67 8.977 0.345 -7.456 286 H VAL 68 HN VAL 68 4.119 -2.078 -5.279 287 HA VAL 68 HA VAL 68 3.403 -1.595 -2.506 288 HB VAL 68 HB VAL 68 1.772 -2.320 -4.948 289 HG11 VAL 68 HG1 VAL 68 1.032 -1.862 -2.071 290 HG11 VAL 68 HG1 VAL 68 -0.097 -1.377 -3.360 291 HG11 VAL 68 HG1 VAL 68 0.424 -3.074 -3.224 292 HG22 VAL 68 HG2 VAL 68 2.800 0.212 -3.891 293 HG22 VAL 68 HG2 VAL 68 2.108 -0.169 -5.486 294 HG22 VAL 68 HG2 VAL 68 1.035 0.217 -4.119 295 H ALA 69 HN ALA 69 5.213 -3.580 -2.455 296 HA ALA 69 HA ALA 69 3.726 -5.740 -1.422 297 HB1 ALA 69 HB1 ALA 69 3.362 -6.825 -3.384 298 HB2 ALA 69 HB2 ALA 69 4.591 -5.872 -4.251 299 HB3 ALA 69 HB3 ALA 69 5.082 -7.266 -3.260 300 H ALA 70 HN ALA 70 6.816 -4.520 -2.819 301 HA ALA 70 HA ALA 70 8.388 -6.183 -1.097 302 HB1 ALA 70 HB1 ALA 70 9.987 -5.634 -2.580 303 HB2 ALA 70 HB2 ALA 70 8.755 -4.708 -3.470 304 HB3 ALA 70 HB3 ALA 70 9.771 -3.898 -2.254 305 H TYR 71 HN TYR 71 8.089 -2.625 -1.463 306 HA TYR 71 HA TYR 71 9.339 -1.798 0.840 307 HB2 TYR 71 HB2 TYR 71 7.270 -0.765 -0.963 308 HB3 TYR 71 HB3 TYR 71 7.132 -0.120 0.681 309 HD1 TYR 71 HD1 TYR 71 7.855 2.103 0.444 310 HD2 TYR 71 HD2 TYR 71 10.239 -1.091 -1.158 311 HE1 TYR 71 HE1 TYR 71 9.686 3.707 -0.029 312 HE2 TYR 71 HE2 TYR 71 12.070 0.513 -1.630 313 HH TYR 71 HH TYR 71 12.658 2.750 -1.731 314 H ILE 72 HN ILE 72 5.771 -2.586 0.579 315 HA ILE 72 HA ILE 72 5.024 -2.137 3.112 316 HB ILE 72 HB ILE 72 3.421 -4.007 2.823 317 HG12 ILE 72 HG1 ILE 72 4.416 -4.501 0.055 318 HG13 ILE 72 HG1 ILE 72 5.290 -5.266 1.368 319 HG22 ILE 72 HG2 ILE 72 2.186 -2.964 1.086 320 HG22 ILE 72 HG2 ILE 72 3.121 -1.682 1.893 321 HG22 ILE 72 HG2 ILE 72 3.661 -2.324 0.323 322 HD11 ILE 72 HD1 ILE 72 2.562 -5.646 2.016 323 HD11 ILE 72 HD1 ILE 72 2.673 -5.937 0.264 324 HD11 ILE 72 HD1 ILE 72 3.691 -6.870 1.388 325 H ARG 73 HN ARG 73 7.078 -4.817 1.932 326 HA ARG 73 HA ARG 73 6.966 -6.381 4.174 327 HB2 ARG 73 HB2 ARG 73 8.080 -6.867 1.898 328 HB3 ARG 73 HB3 ARG 73 9.459 -5.943 2.461 329 HG2 ARG 73 HG2 ARG 73 10.210 -7.665 3.746 330 HG3 ARG 73 HG3 ARG 73 8.637 -7.898 4.482 331 HD2 ARG 73 HD2 ARG 73 7.942 -9.452 2.850 332 HD3 ARG 73 HD3 ARG 73 9.030 -8.820 1.630 333 HE ARG 73 HE ARG 73 10.343 -10.038 3.980 334 H ASN 74 HN ASN 74 9.586 -4.012 3.256 335 HA ASN 74 HA ASN 74 9.953 -3.580 6.114 336 HB2 ASN 74 HB2 ASN 74 11.810 -4.922 4.787 337 HB3 ASN 74 HB3 ASN 74 12.229 -3.365 4.100 338 HD21 ASN 74 HD2 ASN 74 12.303 -1.545 5.812 339 HD21 ASN 74 HD2 ASN 74 13.219 -1.881 7.243 340 HA PRO 75 HA PRO 75 9.186 0.387 3.813 341 HB2 PRO 75 HB2 PRO 75 6.989 1.200 5.207 342 HB3 PRO 75 HB3 PRO 75 6.885 -0.036 3.911 343 HG2 PRO 75 HG2 PRO 75 6.971 -0.350 6.770 344 HG3 PRO 75 HG3 PRO 75 5.927 -1.299 5.662 345 HD2 PRO 75 HD2 PRO 75 8.306 -2.244 6.767 346 HD3 PRO 75 HD3 PRO 75 7.678 -2.790 5.183 347 H GLY 76 HN GLY 76 8.942 2.713 4.933 348 HA2 GLY 76 HA1 GLY 76 10.924 2.746 7.063 349 HA3 GLY 76 HA2 GLY 76 10.317 4.107 6.141 350 HA PRO 77 HA PRO 77 8.598 4.095 10.532 351 HB2 PRO 77 HB2 PRO 77 9.257 7.003 10.059 352 HB3 PRO 77 HB3 PRO 77 9.546 5.956 11.486 353 HG2 PRO 77 HG2 PRO 77 11.638 6.608 9.821 354 HG3 PRO 77 HG3 PRO 77 11.313 5.082 10.705 355 HD2 PRO 77 HD2 PRO 77 10.821 5.799 7.769 356 HD3 PRO 77 HD3 PRO 77 11.552 4.315 8.453 357 H GLY 78 HN GLY 78 6.510 5.062 11.179 358 HA2 GLY 78 HA1 GLY 78 4.635 6.378 10.763 359 HA3 GLY 78 HA2 GLY 78 5.131 6.592 9.096 360 H MET 79 HN MET 79 5.747 3.734 8.595 361 HA MET 79 HA MET 79 3.020 2.698 8.730 362 HB2 MET 79 HB2 MET 79 4.111 3.521 6.429 363 HB3 MET 79 HB3 MET 79 4.982 2.002 6.506 364 HG2 MET 79 HG2 MET 79 2.973 0.702 6.401 365 HG3 MET 79 HG3 MET 79 1.961 2.060 6.851 366 HE1 MET 79 HE1 MET 79 4.169 0.428 4.103 367 HE2 MET 79 HE2 MET 79 2.491 -0.163 4.149 368 HE3 MET 79 HE3 MET 79 3.081 0.729 2.727 369 HA PRO 80 HA PRO 80 4.707 -0.668 11.010 370 HB2 PRO 80 HB2 PRO 80 2.423 -2.156 9.715 371 HB3 PRO 80 HB3 PRO 80 2.848 -1.942 11.445 372 HG2 PRO 80 HG2 PRO 80 0.764 -0.557 10.328 373 HG3 PRO 80 HG3 PRO 80 1.912 -0.054 11.611 374 HD2 PRO 80 HD2 PRO 80 1.848 0.643 8.637 375 HD3 PRO 80 HD3 PRO 80 2.185 1.708 10.036 376 H ALA 81 HN ALA 81 4.065 -3.418 9.840 377 HA ALA 81 HA ALA 81 5.415 -3.385 7.296 378 HB1 ALA 81 HB1 ALA 81 7.319 -4.718 8.028 379 HB2 ALA 81 HB2 ALA 81 7.272 -3.206 8.966 380 HB3 ALA 81 HB3 ALA 81 6.713 -4.728 9.701 381 H PHE 82 HN PHE 82 5.484 -5.626 6.356 382 HA PHE 82 HA PHE 82 3.678 -7.469 7.713 383 HB2 PHE 82 HB2 PHE 82 3.513 -6.495 4.797 384 HB3 PHE 82 HB3 PHE 82 2.473 -7.722 5.493 385 HD1 PHE 82 HD1 PHE 82 3.184 -4.148 5.309 386 HD2 PHE 82 HD2 PHE 82 0.702 -7.111 7.059 387 HE1 PHE 82 HE1 PHE 82 1.556 -2.370 6.009 388 HE2 PHE 82 HE2 PHE 82 -0.926 -5.333 7.759 389 HZ PHE 82 HZ PHE 82 -0.479 -2.984 7.226 390 H GLY 83 HN GLY 83 5.144 -9.119 8.038 391 HA2 GLY 83 HA1 GLY 83 7.097 -9.776 6.013 392 HA3 GLY 83 HA2 GLY 83 6.858 -10.548 7.568 393 H GLU 84 HN GLU 84 7.290 -12.440 5.890 394 HA GLU 84 HA GLU 84 4.970 -13.120 4.370 395 HB2 GLU 84 HB2 GLU 84 6.283 -15.075 3.662 396 HB3 GLU 84 HB3 GLU 84 7.247 -13.618 3.527 397 HG2 GLU 84 HG2 GLU 84 8.548 -14.141 5.451 398 HG3 GLU 84 HG3 GLU 84 7.355 -15.265 6.073 399 HE2 GLU 84 HE2 GLU 84 8.100 -17.524 5.557 400 H ALA 85 HN ALA 85 5.329 -13.025 7.562 401 HA ALA 85 HA ALA 85 4.753 -15.699 8.342 402 HB1 ALA 85 HB1 ALA 85 3.916 -14.040 10.397 403 HB2 ALA 85 HB2 ALA 85 5.568 -14.666 10.182 404 HB3 ALA 85 HB3 ALA 85 5.143 -13.050 9.570 405 H MET 86 HN MET 86 2.834 -12.699 7.735 406 HA MET 86 HA MET 86 0.438 -14.300 8.108 407 HB2 MET 86 HB2 MET 86 1.064 -11.826 9.088 408 HB3 MET 86 HB3 MET 86 0.358 -11.328 7.563 409 HG2 MET 86 HG2 MET 86 -1.388 -11.388 9.300 410 HG3 MET 86 HG3 MET 86 -1.719 -12.617 8.095 411 HE1 MET 86 HE1 MET 86 -0.352 -12.921 12.352 412 HE2 MET 86 HE2 MET 86 -0.801 -11.526 11.342 413 HE3 MET 86 HE3 MET 86 -2.067 -12.575 12.022 414 H ILE 87 HN ILE 87 1.813 -11.797 5.852 415 HA ILE 87 HA ILE 87 0.256 -13.094 3.724 416 HB ILE 87 HB ILE 87 1.012 -10.179 3.939 417 HG12 ILE 87 HG1 ILE 87 -1.428 -11.690 4.788 418 HG13 ILE 87 HG1 ILE 87 -0.613 -10.348 5.567 419 HG22 ILE 87 HG2 ILE 87 -0.172 -9.810 1.959 420 HG22 ILE 87 HG2 ILE 87 0.766 -11.287 1.634 421 HG22 ILE 87 HG2 ILE 87 -0.967 -11.401 2.022 422 HD11 ILE 87 HD1 ILE 87 -2.774 -9.630 4.587 423 HD11 ILE 87 HD1 ILE 87 -1.414 -8.803 3.791 424 HD11 ILE 87 HD1 ILE 87 -2.226 -10.164 2.980 425 HA PRO 88 HA PRO 88 4.335 -14.032 2.268 426 HB2 PRO 88 HB2 PRO 88 3.546 -15.556 0.151 427 HB3 PRO 88 HB3 PRO 88 3.347 -16.113 1.844 428 HG2 PRO 88 HG2 PRO 88 1.682 -14.756 0.169 429 HG3 PRO 88 HG3 PRO 88 0.900 -16.188 0.915 430 HD2 PRO 88 HD2 PRO 88 0.263 -13.906 1.985 431 HD3 PRO 88 HD3 PRO 88 1.005 -15.067 3.127 432 HA PRO 89 HA PRO 89 5.161 -10.665 -0.444 433 HB2 PRO 89 HB2 PRO 89 6.872 -12.741 -1.854 434 HB3 PRO 89 HB3 PRO 89 7.264 -11.075 -1.315 435 HG2 PRO 89 HG2 PRO 89 8.054 -13.300 0.188 436 HG3 PRO 89 HG3 PRO 89 7.601 -11.626 0.645 437 HD2 PRO 89 HD2 PRO 89 6.079 -14.230 0.946 438 HD3 PRO 89 HD3 PRO 89 6.043 -12.770 1.980 439 H ALA 90 HN ALA 90 4.688 -13.971 -1.941 440 HA ALA 90 HA ALA 90 3.938 -13.028 -4.440 441 HB1 ALA 90 HB1 ALA 90 4.110 -15.255 -4.698 442 HB2 ALA 90 HB2 ALA 90 3.973 -15.522 -2.944 443 HB3 ALA 90 HB3 ALA 90 2.505 -15.406 -3.944 444 H ASP 91 HN ASP 91 2.031 -13.634 -1.439 445 HA ASP 91 HA ASP 91 -0.424 -13.107 -2.678 446 HB2 ASP 91 HB2 ASP 91 0.530 -13.130 0.212 447 HB3 ASP 91 HB3 ASP 91 -1.127 -12.723 -0.188 448 HD2 ASP 91 HD2 ASP 91 -2.325 -15.582 -0.470 449 H ALA 92 HN ALA 92 2.242 -11.134 -1.928 450 HA ALA 92 HA ALA 92 0.708 -8.807 -1.139 451 HB1 ALA 92 HB1 ALA 92 2.678 -8.122 -0.284 452 HB2 ALA 92 HB2 ALA 92 3.303 -9.741 -0.678 453 HB3 ALA 92 HB3 ALA 92 3.526 -8.398 -1.825 454 H LEU 93 HN LEU 93 2.344 -10.227 -3.983 455 HA LEU 93 HA LEU 93 2.316 -7.908 -5.558 456 HB2 LEU 93 HB2 LEU 93 2.403 -10.849 -6.215 457 HB3 LEU 93 HB3 LEU 93 2.486 -9.599 -7.440 458 HG LEU 93 HG LEU 93 4.437 -9.786 -5.133 459 HD11 LEU 93 HD1 LEU 93 5.241 -11.627 -6.104 460 HD11 LEU 93 HD1 LEU 93 4.259 -11.392 -7.570 461 HD11 LEU 93 HD1 LEU 93 5.818 -10.550 -7.398 462 HD22 LEU 93 HD2 LEU 93 3.945 -7.798 -7.115 463 HD22 LEU 93 HD2 LEU 93 5.208 -7.841 -5.863 464 HD22 LEU 93 HD2 LEU 93 5.518 -8.554 -7.464 465 H LYS 94 HN LYS 94 -0.226 -9.868 -4.330 466 HA LYS 94 HA LYS 94 -1.995 -9.309 -6.554 467 HB2 LYS 94 HB2 LYS 94 -3.516 -10.775 -5.517 468 HB3 LYS 94 HB3 LYS 94 -1.940 -11.504 -5.283 469 HG2 LYS 94 HG2 LYS 94 -2.299 -11.512 -3.047 470 HG3 LYS 94 HG3 LYS 94 -2.316 -9.760 -3.058 471 HD2 LYS 94 HD2 LYS 94 -4.420 -10.376 -2.114 472 HD3 LYS 94 HD3 LYS 94 -4.795 -9.914 -3.763 473 HE2 LYS 94 HE2 LYS 94 -4.555 -12.416 -4.377 474 HE3 LYS 94 HE3 LYS 94 -4.522 -12.742 -2.655 475 HZ1 LYS 94 HZ1 LYS 94 -6.708 -11.074 -3.682 476 HZ2 LYS 94 HZ2 LYS 94 -6.788 -12.677 -3.957 477 H ILE 95 HN ILE 95 -0.896 -7.831 -3.625 478 HA ILE 95 HA ILE 95 -3.336 -6.377 -3.167 479 HB ILE 95 HB ILE 95 -0.604 -5.951 -1.961 480 HG12 ILE 95 HG1 ILE 95 -1.478 -8.333 -1.791 481 HG13 ILE 95 HG1 ILE 95 -1.078 -7.528 -0.286 482 HG22 ILE 95 HG2 ILE 95 -1.650 -4.176 -1.091 483 HG22 ILE 95 HG2 ILE 95 -3.262 -4.774 -1.555 484 HG22 ILE 95 HG2 ILE 95 -2.492 -5.358 -0.060 485 HD11 ILE 95 HD1 ILE 95 -3.259 -7.478 0.430 486 HD11 ILE 95 HD1 ILE 95 -3.891 -7.143 -1.200 487 HD11 ILE 95 HD1 ILE 95 -3.455 -8.806 -0.738 488 H GLY 96 HN GLY 96 -0.158 -5.907 -4.749 489 HA2 GLY 96 HA1 GLY 96 -0.217 -3.158 -5.112 490 HA3 GLY 96 HA2 GLY 96 0.571 -4.319 -6.161 491 H GLU 97 HN GLU 97 -2.256 -5.665 -6.494 492 HA GLU 97 HA GLU 97 -2.852 -4.236 -8.859 493 HB2 GLU 97 HB2 GLU 97 -4.621 -6.376 -7.639 494 HB3 GLU 97 HB3 GLU 97 -4.371 -6.008 -9.334 495 HG2 GLU 97 HG2 GLU 97 -1.881 -6.672 -8.931 496 HG3 GLU 97 HG3 GLU 97 -2.432 -7.357 -7.415 497 HE2 GLU 97 HE2 GLU 97 -1.730 -8.275 -10.331 498 H TYR 98 HN TYR 98 -4.592 -4.916 -5.801 499 HA TYR 98 HA TYR 98 -6.944 -3.516 -6.232 500 HB2 TYR 98 HB2 TYR 98 -6.372 -4.906 -4.247 501 HB3 TYR 98 HB3 TYR 98 -5.316 -3.606 -3.670 502 HD1 TYR 98 HD1 TYR 98 -6.170 -2.010 -2.214 503 HD2 TYR 98 HD2 TYR 98 -8.868 -4.214 -4.727 504 HE1 TYR 98 HE1 TYR 98 -8.100 -0.947 -1.075 505 HE2 TYR 98 HE2 TYR 98 -10.797 -3.151 -3.589 506 HH TYR 98 HH TYR 98 -11.436 -1.922 -1.681 507 H VAL 99 HN VAL 99 -3.658 -2.220 -5.693 508 HA VAL 99 HA VAL 99 -4.789 0.445 -5.356 509 HB VAL 99 HB VAL 99 -1.993 -0.678 -5.129 510 HG11 VAL 99 HG1 VAL 99 -1.760 1.764 -4.024 511 HG11 VAL 99 HG1 VAL 99 -1.399 1.434 -5.735 512 HG11 VAL 99 HG1 VAL 99 -2.972 2.130 -5.275 513 HG22 VAL 99 HG2 VAL 99 -4.014 0.309 -3.097 514 HG22 VAL 99 HG2 VAL 99 -3.323 -1.324 -3.251 515 HG22 VAL 99 HG2 VAL 99 -2.296 0.032 -2.723 516 H VAL 100 HN VAL 100 -5.137 -1.047 -7.881 517 HA VAL 100 HA VAL 100 -3.874 0.933 -9.600 518 HB VAL 100 HB VAL 100 -3.638 -2.061 -9.929 519 HG11 VAL 100 HG1 VAL 100 -4.048 -1.475 -12.119 520 HG11 VAL 100 HG1 VAL 100 -3.393 0.168 -11.920 521 HG11 VAL 100 HG1 VAL 100 -2.288 -1.222 -12.042 522 HG22 VAL 100 HG2 VAL 100 -1.452 0.039 -9.902 523 HG22 VAL 100 HG2 VAL 100 -1.981 -0.845 -8.451 524 HG22 VAL 100 HG2 VAL 100 -1.277 -1.730 -9.825 525 H ALA 101 HN ALA 101 -6.608 0.023 -8.362 526 HA ALA 101 HA ALA 101 -8.017 0.075 -10.938 527 HB1 ALA 101 HB1 ALA 101 -9.776 -1.344 -9.717 528 HB2 ALA 101 HB2 ALA 101 -8.270 -2.169 -10.186 529 HB3 ALA 101 HB3 ALA 101 -8.517 -1.659 -8.498 530 H SER 102 HN SER 102 -7.366 2.446 -9.818 531 HA SER 102 HA SER 102 -9.775 3.643 -9.423 532 HB2 SER 102 HB2 SER 102 -8.796 2.401 -6.985 533 HB3 SER 102 HB3 SER 102 -8.819 4.141 -6.779 534 HG SER 102 HG SER 102 -10.988 4.187 -6.907 535 H PHE 103 HN PHE 103 -6.281 3.502 -8.692 536 HA PHE 103 HA PHE 103 -5.911 6.068 -9.872 537 HB2 PHE 103 HB2 PHE 103 -4.597 6.591 -7.516 538 HB3 PHE 103 HB3 PHE 103 -6.246 7.112 -7.798 539 HD1 PHE 103 HD1 PHE 103 -4.744 3.810 -6.888 540 HD2 PHE 103 HD2 PHE 103 -7.487 6.885 -5.875 541 HE1 PHE 103 HE1 PHE 103 -5.505 2.477 -4.902 542 HE2 PHE 103 HE2 PHE 103 -8.249 5.552 -3.889 543 HZ PHE 103 HZ PHE 103 -7.249 3.364 -3.427 544 HA PRO 104 HA PRO 104 -2.723 2.794 -10.656 545 HB2 PRO 104 HB2 PRO 104 -2.416 4.893 -12.840 546 HB3 PRO 104 HB3 PRO 104 -2.294 3.105 -12.918 547 HG2 PRO 104 HG2 PRO 104 -4.496 4.315 -13.668 548 HG3 PRO 104 HG3 PRO 104 -4.777 2.754 -12.829 549 HD2 PRO 104 HD2 PRO 104 -5.151 5.582 -11.872 550 HD3 PRO 104 HD3 PRO 104 -5.914 4.076 -11.280 Start of MODEL 6 1 H ALA 25 HN ALA 25 -10.404 -6.673 -6.358 2 HA ALA 25 HA ALA 25 -12.454 -7.735 -4.954 3 HB1 ALA 25 HB1 ALA 25 -13.371 -9.539 -6.290 4 HB2 ALA 25 HB2 ALA 25 -13.592 -8.013 -7.181 5 HB3 ALA 25 HB3 ALA 25 -12.294 -9.138 -7.650 6 H GLY 26 HN GLY 26 -11.636 -9.361 -3.639 7 HA2 GLY 26 HA1 GLY 26 -10.257 -11.106 -3.059 8 HA3 GLY 26 HA2 GLY 26 -9.345 -10.909 -4.543 9 H GLY 27 HN GLY 27 -7.717 -9.199 -4.706 10 HA2 GLY 27 HA1 GLY 27 -6.044 -8.946 -2.556 11 HA3 GLY 27 HA2 GLY 27 -6.097 -7.848 -3.921 12 H GLY 28 HN GLY 28 -9.005 -7.119 -3.301 13 HA2 GLY 28 HA1 GLY 28 -8.465 -4.851 -1.696 14 HA3 GLY 28 HA2 GLY 28 -10.028 -5.402 -2.264 15 H GLU 29 HN GLU 29 -10.070 -8.036 -1.088 16 HA GLU 29 HA GLU 29 -11.109 -7.438 1.370 17 HB2 GLU 29 HB2 GLU 29 -11.623 -9.493 0.086 18 HB3 GLU 29 HB3 GLU 29 -9.999 -10.093 0.358 19 HG2 GLU 29 HG2 GLU 29 -11.123 -11.175 2.089 20 HG3 GLU 29 HG3 GLU 29 -10.600 -9.727 2.926 21 HE2 GLU 29 HE2 GLU 29 -13.179 -11.513 2.011 22 H LEU 30 HN LEU 30 -7.774 -8.086 0.384 23 HA LEU 30 HA LEU 30 -6.885 -8.575 3.074 24 HB2 LEU 30 HB2 LEU 30 -5.342 -8.122 0.516 25 HB3 LEU 30 HB3 LEU 30 -4.660 -8.639 2.046 26 HG LEU 30 HG LEU 30 -6.409 -10.169 0.138 27 HD11 LEU 30 HD1 LEU 30 -4.629 -11.530 -0.147 28 HD11 LEU 30 HD1 LEU 30 -3.730 -10.094 0.398 29 HD11 LEU 30 HD1 LEU 30 -4.109 -11.397 1.550 30 HD22 LEU 30 HD2 LEU 30 -6.056 -10.740 3.088 31 HD22 LEU 30 HD2 LEU 30 -7.572 -10.513 2.184 32 HD22 LEU 30 HD2 LEU 30 -6.574 -11.959 1.899 33 H PHE 31 HN PHE 31 -6.942 -5.883 0.694 34 HA PHE 31 HA PHE 31 -5.408 -4.165 2.364 35 HB2 PHE 31 HB2 PHE 31 -5.498 -3.902 -0.092 36 HB3 PHE 31 HB3 PHE 31 -7.251 -3.869 -0.075 37 HD1 PHE 31 HD1 PHE 31 -4.347 -1.899 -0.202 38 HD2 PHE 31 HD2 PHE 31 -8.312 -1.892 1.310 39 HE1 PHE 31 HE1 PHE 31 -4.298 0.607 -0.085 40 HE2 PHE 31 HE2 PHE 31 -8.263 0.615 1.427 41 HZ PHE 31 HZ PHE 31 -6.256 1.835 0.728 42 H ALA 32 HN ALA 32 -8.715 -5.222 2.320 43 HA ALA 32 HA ALA 32 -9.600 -2.812 3.716 44 HB1 ALA 32 HB1 ALA 32 -10.894 -5.043 2.191 45 HB2 ALA 32 HB2 ALA 32 -11.827 -4.290 3.506 46 HB3 ALA 32 HB3 ALA 32 -11.226 -3.295 2.158 47 H THR 33 HN THR 33 -7.667 -4.271 5.115 48 HA THR 33 HA THR 33 -9.017 -4.789 7.519 49 HB THR 33 HB THR 33 -8.417 -7.133 5.699 50 HG1 THR 33 HG1 THR 33 -10.327 -6.339 7.783 51 HG22 THR 33 HG2 THR 33 -8.882 -8.324 8.134 52 HG22 THR 33 HG2 THR 33 -7.255 -8.142 7.434 53 HG22 THR 33 HG2 THR 33 -7.844 -6.968 8.634 54 H HIS 34 HN HIS 34 -6.136 -5.306 5.450 55 HA HIS 34 HA HIS 34 -4.504 -5.029 7.854 56 HB2 HIS 34 HB2 HIS 34 -3.667 -5.886 5.071 57 HB3 HIS 34 HB3 HIS 34 -2.678 -5.918 6.518 58 HD1 HIS 34 HD1 HIS 34 -3.399 -7.695 8.412 59 HD2 HIS 34 HD2 HIS 34 -5.275 -8.115 4.683 60 HE1 HIS 34 HE1 HIS 34 -4.426 -10.031 8.387 61 H CYS 35 HN CYS 35 -5.939 -3.161 5.468 62 HA CYS 35 HA CYS 35 -3.842 -1.149 5.780 63 HB2 CYS 35 HB2 CYS 35 -5.386 -1.423 3.212 64 HB3 CYS 35 HB3 CYS 35 -3.950 -0.471 3.532 65 H ALA 36 HN ALA 36 -7.260 -1.958 4.874 66 HA ALA 36 HA ALA 36 -8.464 0.421 4.845 67 HB1 ALA 36 HB1 ALA 36 -9.181 -2.321 5.599 68 HB2 ALA 36 HB2 ALA 36 -10.182 -1.103 6.426 69 HB3 ALA 36 HB3 ALA 36 -10.094 -1.125 4.648 70 H GLY 37 HN GLY 37 -7.044 -1.199 7.690 71 HA2 GLY 37 HA1 GLY 37 -8.168 0.688 9.563 72 HA3 GLY 37 HA2 GLY 37 -7.014 -0.590 9.885 73 H CYS 38 HN CYS 38 -6.906 2.186 7.544 74 HA CYS 38 HA CYS 38 -5.339 3.890 8.926 75 HB2 CYS 38 HB2 CYS 38 -3.782 1.535 8.208 76 HB3 CYS 38 HB3 CYS 38 -3.115 2.980 7.475 77 H HIS 39 HN HIS 39 -6.016 2.126 5.902 78 HA HIS 39 HA HIS 39 -5.739 4.668 4.469 79 HB2 HIS 39 HB2 HIS 39 -5.193 1.834 3.576 80 HB3 HIS 39 HB3 HIS 39 -5.468 3.130 2.428 81 HD1 HIS 39 HD1 HIS 39 -3.797 5.391 3.107 82 HD2 HIS 39 HD2 HIS 39 -2.534 1.500 4.035 83 HE1 HIS 39 HE1 HIS 39 -1.265 5.510 3.395 84 HA PRO 40 HA PRO 40 -10.173 3.221 4.599 85 HB2 PRO 40 HB2 PRO 40 -11.242 5.350 5.886 86 HB3 PRO 40 HB3 PRO 40 -10.362 4.071 6.786 87 HG2 PRO 40 HG2 PRO 40 -8.953 6.857 5.916 88 HG3 PRO 40 HG3 PRO 40 -9.277 5.936 7.420 89 HD2 PRO 40 HD2 PRO 40 -7.030 5.595 5.763 90 HD3 PRO 40 HD3 PRO 40 -7.678 4.329 6.850 91 H GLN 41 HN GLN 41 -11.059 3.526 2.556 92 HA GLN 41 HA GLN 41 -11.564 4.470 0.663 93 HB2 GLN 41 HB2 GLN 41 -12.230 6.529 2.712 94 HB3 GLN 41 HB3 GLN 41 -12.155 7.125 1.066 95 HG2 GLN 41 HG2 GLN 41 -13.849 5.601 0.310 96 HG3 GLN 41 HG3 GLN 41 -13.700 4.593 1.736 97 HE21 GLN 41 HE2 GLN 41 -16.143 5.311 1.093 98 HE21 GLN 41 HE2 GLN 41 -16.794 6.529 2.138 99 H GLY 42 HN GLY 42 -9.003 4.121 0.483 100 HA2 GLY 42 HA1 GLY 42 -6.983 4.885 -0.189 101 HA3 GLY 42 HA2 GLY 42 -7.944 5.868 -1.276 102 H GLY 43 HN GLY 43 -8.217 6.295 2.242 103 HA2 GLY 43 HA1 GLY 43 -6.960 8.946 1.943 104 HA3 GLY 43 HA2 GLY 43 -8.171 8.498 3.128 105 H ASN 44 HN ASN 44 -6.928 9.095 4.963 106 HA ASN 44 HA ASN 44 -5.214 7.079 5.876 107 HB2 ASN 44 HB2 ASN 44 -3.969 9.292 4.448 108 HB3 ASN 44 HB3 ASN 44 -3.510 9.386 6.136 109 HD21 ASN 44 HD2 ASN 44 -1.602 8.914 4.326 110 HD21 ASN 44 HD2 ASN 44 -1.018 7.285 4.399 111 H THR 45 HN THR 45 -5.017 7.284 8.194 112 HA THR 45 HA THR 45 -6.379 9.644 9.310 113 HB THR 45 HB THR 45 -6.855 8.012 11.223 114 HG1 THR 45 HG1 THR 45 -6.145 5.877 10.844 115 HG22 THR 45 HG2 THR 45 -8.352 8.313 9.017 116 HG22 THR 45 HG2 THR 45 -7.771 6.667 8.670 117 HG22 THR 45 HG2 THR 45 -8.691 6.990 10.159 118 H VAL 46 HN VAL 46 -3.344 8.640 8.641 119 HA VAL 46 HA VAL 46 -2.316 9.538 11.241 120 HB VAL 46 HB VAL 46 -0.994 7.919 9.055 121 HG11 VAL 46 HG1 VAL 46 0.752 9.093 10.093 122 HG11 VAL 46 HG1 VAL 46 -0.002 8.985 11.701 123 HG11 VAL 46 HG1 VAL 46 0.714 7.536 10.954 124 HG22 VAL 46 HG2 VAL 46 -1.760 6.060 10.028 125 HG22 VAL 46 HG2 VAL 46 -1.251 6.619 11.639 126 HG22 VAL 46 HG2 VAL 46 -2.841 7.092 10.995 127 H HIS 47 HN HIS 47 -1.597 9.676 7.677 128 HA HIS 47 HA HIS 47 -0.674 12.415 8.163 129 HB2 HIS 47 HB2 HIS 47 0.334 10.333 6.212 130 HB3 HIS 47 HB3 HIS 47 0.745 12.033 6.094 131 HD1 HIS 47 HD1 HIS 47 3.165 10.488 6.441 132 HD2 HIS 47 HD2 HIS 47 0.799 11.453 9.768 133 HE1 HIS 47 HE1 HIS 47 4.683 10.284 8.482 134 HA PRO 48 HA PRO 48 -4.060 13.288 5.419 135 HB2 PRO 48 HB2 PRO 48 -4.384 15.871 6.060 136 HB3 PRO 48 HB3 PRO 48 -4.661 14.605 7.300 137 HG2 PRO 48 HG2 PRO 48 -2.088 16.234 6.868 138 HG3 PRO 48 HG3 PRO 48 -2.949 15.947 8.415 139 HD2 PRO 48 HD2 PRO 48 -0.769 14.445 7.506 140 HD3 PRO 48 HD3 PRO 48 -2.029 13.798 8.601 141 H GLU 49 HN GLU 49 -0.841 13.632 4.925 142 HA GLU 49 HA GLU 49 -1.332 15.297 2.587 143 HB2 GLU 49 HB2 GLU 49 0.920 16.294 2.835 144 HB3 GLU 49 HB3 GLU 49 -0.087 16.651 4.223 145 HG2 GLU 49 HG2 GLU 49 1.097 15.203 5.643 146 HG3 GLU 49 HG3 GLU 49 1.628 14.171 4.329 147 HE2 GLU 49 HE2 GLU 49 3.439 17.065 5.946 148 H LYS 50 HN LYS 50 -0.817 12.259 3.635 149 HA LYS 50 HA LYS 50 0.850 11.621 1.308 150 HB2 LYS 50 HB2 LYS 50 1.033 10.197 3.975 151 HB3 LYS 50 HB3 LYS 50 2.015 9.919 2.551 152 HG2 LYS 50 HG2 LYS 50 2.214 12.714 3.099 153 HG3 LYS 50 HG3 LYS 50 2.361 11.912 4.650 154 HD2 LYS 50 HD2 LYS 50 4.536 11.531 4.111 155 HD3 LYS 50 HD3 LYS 50 3.949 10.316 2.993 156 HE2 LYS 50 HE2 LYS 50 3.796 12.051 1.190 157 HE3 LYS 50 HE3 LYS 50 4.390 13.263 2.308 158 HZ1 LYS 50 HZ1 LYS 50 5.874 10.894 1.320 159 HZ2 LYS 50 HZ2 LYS 50 6.258 12.461 1.096 160 H THR 51 HN THR 51 -1.444 11.554 0.410 161 HA THR 51 HA THR 51 -2.987 9.263 1.310 162 HB THR 51 HB THR 51 -4.586 10.184 -0.447 163 HG1 THR 51 HG1 THR 51 -2.468 11.125 -1.503 164 HG22 THR 51 HG2 THR 51 -3.573 12.529 1.198 165 HG22 THR 51 HG2 THR 51 -5.252 12.090 0.800 166 HG22 THR 51 HG2 THR 51 -4.350 11.151 2.014 167 H LEU 52 HN LEU 52 -4.102 8.288 -1.004 168 HA LEU 52 HA LEU 52 -1.785 6.904 -2.110 169 HB2 LEU 52 HB2 LEU 52 -4.732 6.239 -2.132 170 HB3 LEU 52 HB3 LEU 52 -3.483 5.276 -2.896 171 HG LEU 52 HG LEU 52 -3.793 5.815 0.068 172 HD11 LEU 52 HD1 LEU 52 -4.929 3.853 -1.646 173 HD11 LEU 52 HD1 LEU 52 -3.727 3.042 -0.614 174 HD11 LEU 52 HD1 LEU 52 -5.043 3.987 0.125 175 HD22 LEU 52 HD2 LEU 52 -1.884 4.312 0.401 176 HD22 LEU 52 HD2 LEU 52 -1.643 4.227 -1.360 177 HD22 LEU 52 HD2 LEU 52 -1.425 5.773 -0.506 178 H ALA 53 HN ALA 53 -2.684 9.729 -2.805 179 HA ALA 53 HA ALA 53 -3.764 9.481 -5.451 180 HB1 ALA 53 HB1 ALA 53 -4.385 11.407 -4.172 181 HB2 ALA 53 HB2 ALA 53 -2.690 11.775 -3.773 182 HB3 ALA 53 HB3 ALA 53 -3.278 11.986 -5.440 183 H ARG 54 HN ARG 54 -2.655 9.349 -7.362 184 HA ARG 54 HA ARG 54 -0.098 8.507 -7.415 185 HB2 ARG 54 HB2 ARG 54 -1.742 8.416 -9.322 186 HB3 ARG 54 HB3 ARG 54 -1.517 10.134 -9.585 187 HG2 ARG 54 HG2 ARG 54 1.056 9.500 -9.750 188 HG3 ARG 54 HG3 ARG 54 0.455 7.879 -10.041 189 HD2 ARG 54 HD2 ARG 54 -0.314 8.401 -12.143 190 HD3 ARG 54 HD3 ARG 54 -0.952 9.952 -11.635 191 HE ARG 54 HE ARG 54 1.912 10.079 -11.585 192 H ALA 55 HN ALA 55 -1.337 11.884 -7.913 193 HA ALA 55 HA ALA 55 0.875 13.225 -8.594 194 HB1 ALA 55 HB1 ALA 55 -0.108 15.148 -7.464 195 HB2 ALA 55 HB2 ALA 55 -1.407 14.160 -8.173 196 HB3 ALA 55 HB3 ALA 55 -1.083 14.081 -6.425 197 H ARG 56 HN ARG 56 0.136 11.800 -5.390 198 HA ARG 56 HA ARG 56 2.528 12.960 -4.317 199 HB2 ARG 56 HB2 ARG 56 0.107 11.598 -3.260 200 HB3 ARG 56 HB3 ARG 56 1.574 11.147 -2.416 201 HG2 ARG 56 HG2 ARG 56 0.817 13.061 -1.234 202 HG3 ARG 56 HG3 ARG 56 2.086 13.690 -2.267 203 HD2 ARG 56 HD2 ARG 56 0.561 14.737 -3.742 204 HD3 ARG 56 HD3 ARG 56 -0.758 13.669 -3.307 205 HE ARG 56 HE ARG 56 -0.080 16.149 -2.001 206 H ARG 57 HN ARG 57 1.123 9.680 -4.995 207 HA ARG 57 HA ARG 57 3.232 8.200 -4.125 208 HB2 ARG 57 HB2 ARG 57 0.873 7.815 -5.799 209 HB3 ARG 57 HB3 ARG 57 2.212 6.904 -6.467 210 HG2 ARG 57 HG2 ARG 57 1.434 5.342 -4.935 211 HG3 ARG 57 HG3 ARG 57 2.580 6.186 -3.912 212 HD2 ARG 57 HD2 ARG 57 0.931 7.122 -2.607 213 HD3 ARG 57 HD3 ARG 57 -0.116 7.443 -3.976 214 HE ARG 57 HE ARG 57 -0.158 5.075 -2.280 215 H GLU 58 HN GLU 58 3.028 10.363 -6.838 216 HA GLU 58 HA GLU 58 4.986 9.032 -8.410 217 HB2 GLU 58 HB2 GLU 58 4.480 10.594 -10.016 218 HB3 GLU 58 HB3 GLU 58 3.054 10.816 -9.021 219 HG2 GLU 58 HG2 GLU 58 4.171 12.690 -7.813 220 HG3 GLU 58 HG3 GLU 58 5.620 12.457 -8.771 221 HE2 GLU 58 HE2 GLU 58 5.330 13.068 -11.154 222 H ALA 59 HN ALA 59 4.875 11.921 -6.232 223 HA ALA 59 HA ALA 59 7.407 12.868 -6.591 224 HB1 ALA 59 HB1 ALA 59 7.159 13.812 -4.348 225 HB2 ALA 59 HB2 ALA 59 5.602 13.886 -5.206 226 HB3 ALA 59 HB3 ALA 59 5.877 12.637 -3.968 227 H ASN 60 HN ASN 60 6.314 10.255 -4.321 228 HA ASN 60 HA ASN 60 8.973 9.757 -3.506 229 HB2 ASN 60 HB2 ASN 60 6.292 8.371 -3.107 230 HB3 ASN 60 HB3 ASN 60 7.766 7.578 -2.584 231 HD21 ASN 60 HD2 ASN 60 6.733 10.986 -2.613 232 HD21 ASN 60 HD2 ASN 60 6.936 11.293 -0.921 233 H GLY 61 HN GLY 61 6.743 8.651 -6.033 234 HA2 GLY 61 HA1 GLY 61 7.271 7.494 -7.933 235 HA3 GLY 61 HA2 GLY 61 8.843 7.089 -7.273 236 H ILE 62 HN ILE 62 5.311 6.398 -6.813 237 HA ILE 62 HA ILE 62 6.062 3.608 -6.348 238 HB ILE 62 HB ILE 62 4.181 5.258 -4.659 239 HG12 ILE 62 HG1 ILE 62 6.902 4.060 -4.220 240 HG13 ILE 62 HG1 ILE 62 6.324 5.671 -3.847 241 HG22 ILE 62 HG2 ILE 62 3.822 2.607 -5.366 242 HG22 ILE 62 HG2 ILE 62 4.663 2.509 -3.801 243 HG22 ILE 62 HG2 ILE 62 3.141 3.423 -3.938 244 HD11 ILE 62 HD1 ILE 62 6.128 4.867 -1.716 245 HD11 ILE 62 HD1 ILE 62 4.617 4.137 -2.311 246 HD11 ILE 62 HD1 ILE 62 6.112 3.172 -2.259 247 H ARG 63 HN ARG 63 5.507 4.082 -8.822 248 HA ARG 63 HA ARG 63 2.628 3.723 -9.062 249 HB2 ARG 63 HB2 ARG 63 2.842 4.612 -11.370 250 HB3 ARG 63 HB3 ARG 63 3.480 5.762 -10.211 251 HG2 ARG 63 HG2 ARG 63 5.628 5.561 -10.992 252 HG3 ARG 63 HG3 ARG 63 5.507 3.822 -11.176 253 HD2 ARG 63 HD2 ARG 63 5.499 4.285 -13.423 254 HD3 ARG 63 HD3 ARG 63 3.800 4.636 -13.174 255 HE ARG 63 HE ARG 63 5.184 7.012 -12.535 256 H THR 64 HN THR 64 3.771 1.427 -8.346 257 HA THR 64 HA THR 64 3.645 -0.175 -10.733 258 HB THR 64 HB THR 64 5.914 -1.189 -10.335 259 HG1 THR 64 HG1 THR 64 6.836 -0.576 -8.419 260 HG22 THR 64 HG2 THR 64 5.670 0.856 -11.884 261 HG22 THR 64 HG2 THR 64 6.164 1.854 -10.496 262 HG22 THR 64 HG2 THR 64 7.283 0.641 -11.163 263 H VAL 65 HN VAL 65 3.313 -2.422 -10.295 264 HA VAL 65 HA VAL 65 1.802 -2.830 -7.968 265 HB VAL 65 HB VAL 65 2.874 -4.553 -10.179 266 HG11 VAL 65 HG1 VAL 65 2.997 -6.135 -8.460 267 HG11 VAL 65 HG1 VAL 65 1.576 -5.475 -7.615 268 HG11 VAL 65 HG1 VAL 65 1.367 -6.383 -9.132 269 HG22 VAL 65 HG2 VAL 65 0.889 -3.015 -10.476 270 HG22 VAL 65 HG2 VAL 65 0.584 -4.732 -10.837 271 HG22 VAL 65 HG2 VAL 65 0.019 -4.030 -9.301 272 H ARG 66 HN ARG 66 5.018 -4.199 -8.981 273 HA ARG 66 HA ARG 66 5.585 -5.609 -6.803 274 HB2 ARG 66 HB2 ARG 66 7.452 -3.793 -8.404 275 HB3 ARG 66 HB3 ARG 66 8.036 -4.975 -7.249 276 HG2 ARG 66 HG2 ARG 66 6.775 -6.768 -8.545 277 HG3 ARG 66 HG3 ARG 66 6.377 -5.556 -9.747 278 HD2 ARG 66 HD2 ARG 66 8.904 -5.113 -9.976 279 HD3 ARG 66 HD3 ARG 66 9.167 -6.526 -8.974 280 HE ARG 66 HE ARG 66 8.468 -7.919 -10.750 281 H ASP 67 HN ASP 67 6.627 -2.140 -7.250 282 HA ASP 67 HA ASP 67 7.742 -1.582 -4.963 283 HB2 ASP 67 HB2 ASP 67 5.725 -0.044 -6.599 284 HB3 ASP 67 HB3 ASP 67 6.230 0.648 -5.070 285 HD2 ASP 67 HD2 ASP 67 9.251 -0.577 -6.845 286 H VAL 68 HN VAL 68 4.192 -1.978 -5.511 287 HA VAL 68 HA VAL 68 3.617 -1.445 -2.727 288 HB VAL 68 HB VAL 68 1.823 -2.297 -5.007 289 HG11 VAL 68 HG1 VAL 68 -0.002 -1.932 -3.656 290 HG11 VAL 68 HG1 VAL 68 1.161 -2.537 -2.451 291 HG11 VAL 68 HG1 VAL 68 0.864 -0.788 -2.602 292 HG22 VAL 68 HG2 VAL 68 2.009 0.513 -3.942 293 HG22 VAL 68 HG2 VAL 68 3.156 -0.058 -5.177 294 HG22 VAL 68 HG2 VAL 68 1.408 -0.066 -5.514 295 H ALA 69 HN ALA 69 5.389 -3.451 -2.651 296 HA ALA 69 HA ALA 69 3.868 -5.569 -1.541 297 HB1 ALA 69 HB1 ALA 69 5.424 -7.011 -3.412 298 HB2 ALA 69 HB2 ALA 69 3.649 -6.888 -3.347 299 HB3 ALA 69 HB3 ALA 69 4.585 -5.750 -4.347 300 H ALA 70 HN ALA 70 6.991 -4.380 -2.892 301 HA ALA 70 HA ALA 70 8.532 -5.985 -1.097 302 HB1 ALA 70 HB1 ALA 70 10.400 -4.981 -2.163 303 HB2 ALA 70 HB2 ALA 70 9.166 -5.115 -3.439 304 HB3 ALA 70 HB3 ALA 70 9.460 -3.549 -2.646 305 H TYR 71 HN TYR 71 8.178 -2.437 -1.503 306 HA TYR 71 HA TYR 71 9.355 -1.564 0.820 307 HB2 TYR 71 HB2 TYR 71 7.303 -0.591 -1.037 308 HB3 TYR 71 HB3 TYR 71 7.121 0.067 0.598 309 HD1 TYR 71 HD1 TYR 71 10.005 -0.705 -1.699 310 HD2 TYR 71 HD2 TYR 71 8.081 2.145 0.876 311 HE1 TYR 71 HE1 TYR 71 11.813 0.929 -2.157 312 HE2 TYR 71 HE2 TYR 71 9.889 3.779 0.418 313 HH TYR 71 HH TYR 71 12.187 3.418 -2.083 314 H ILE 72 HN ILE 72 5.801 -2.393 0.490 315 HA ILE 72 HA ILE 72 5.009 -1.954 3.012 316 HB ILE 72 HB ILE 72 3.412 -3.818 2.690 317 HG12 ILE 72 HG1 ILE 72 4.516 -4.330 -0.042 318 HG13 ILE 72 HG1 ILE 72 5.291 -5.117 1.318 319 HG22 ILE 72 HG2 ILE 72 2.489 -1.953 1.799 320 HG22 ILE 72 HG2 ILE 72 3.883 -1.625 0.743 321 HG22 ILE 72 HG2 ILE 72 2.694 -2.868 0.286 322 HD11 ILE 72 HD1 ILE 72 3.659 -6.698 1.004 323 HD11 ILE 72 HD1 ILE 72 2.656 -5.566 1.943 324 HD11 ILE 72 HD1 ILE 72 2.580 -5.557 0.165 325 H ARG 73 HN ARG 73 7.093 -4.623 1.858 326 HA ARG 73 HA ARG 73 6.951 -6.208 4.075 327 HB2 ARG 73 HB2 ARG 73 8.156 -6.610 1.812 328 HB3 ARG 73 HB3 ARG 73 9.508 -5.715 2.478 329 HG2 ARG 73 HG2 ARG 73 10.167 -7.465 3.787 330 HG3 ARG 73 HG3 ARG 73 8.536 -7.773 4.349 331 HD2 ARG 73 HD2 ARG 73 8.215 -9.453 2.835 332 HD3 ARG 73 HD3 ARG 73 8.854 -8.498 1.512 333 HE ARG 73 HE ARG 73 10.920 -9.436 3.370 334 H ASN 74 HN ASN 74 9.603 -3.831 3.274 335 HA ASN 74 HA ASN 74 9.861 -3.422 6.150 336 HB2 ASN 74 HB2 ASN 74 11.775 -4.708 4.832 337 HB3 ASN 74 HB3 ASN 74 12.195 -3.121 4.219 338 HD21 ASN 74 HD2 ASN 74 11.277 -4.670 7.295 339 HD21 ASN 74 HD2 ASN 74 12.464 -3.899 8.293 340 HA PRO 75 HA PRO 75 9.109 0.586 3.937 341 HB2 PRO 75 HB2 PRO 75 6.878 1.348 5.302 342 HB3 PRO 75 HB3 PRO 75 6.811 0.131 3.986 343 HG2 PRO 75 HG2 PRO 75 6.859 -0.229 6.863 344 HG3 PRO 75 HG3 PRO 75 5.846 -1.172 5.720 345 HD2 PRO 75 HD2 PRO 75 8.233 -2.091 6.848 346 HD3 PRO 75 HD3 PRO 75 7.618 -2.639 5.260 347 H GLY 76 HN GLY 76 8.807 2.885 5.106 348 HA2 GLY 76 HA1 GLY 76 10.763 2.902 7.261 349 HA3 GLY 76 HA2 GLY 76 10.137 4.274 6.368 350 HA PRO 77 HA PRO 77 8.373 4.106 10.740 351 HB2 PRO 77 HB2 PRO 77 8.992 7.036 10.364 352 HB3 PRO 77 HB3 PRO 77 9.283 5.949 11.760 353 HG2 PRO 77 HG2 PRO 77 11.368 6.696 10.135 354 HG3 PRO 77 HG3 PRO 77 11.088 5.133 10.968 355 HD2 PRO 77 HD2 PRO 77 10.598 5.928 8.054 356 HD3 PRO 77 HD3 PRO 77 11.347 4.436 8.700 357 H GLY 78 HN GLY 78 6.274 5.059 11.403 358 HA2 GLY 78 HA1 GLY 78 4.380 6.344 11.002 359 HA3 GLY 78 HA2 GLY 78 4.893 6.620 9.349 360 H MET 79 HN MET 79 5.559 3.781 8.775 361 HA MET 79 HA MET 79 2.843 2.711 8.830 362 HB2 MET 79 HB2 MET 79 3.972 3.610 6.574 363 HB3 MET 79 HB3 MET 79 4.850 2.094 6.625 364 HG2 MET 79 HG2 MET 79 2.858 0.786 6.432 365 HG3 MET 79 HG3 MET 79 1.826 2.115 6.922 366 HE1 MET 79 HE1 MET 79 4.145 0.735 3.972 367 HE2 MET 79 HE2 MET 79 2.566 -0.022 4.291 368 HE3 MET 79 HE3 MET 79 2.830 0.884 2.782 369 HA PRO 80 HA PRO 80 4.520 -0.701 11.047 370 HB2 PRO 80 HB2 PRO 80 2.288 -2.178 9.653 371 HB3 PRO 80 HB3 PRO 80 2.671 -2.014 11.398 372 HG2 PRO 80 HG2 PRO 80 0.592 -0.615 10.283 373 HG3 PRO 80 HG3 PRO 80 1.713 -0.147 11.603 374 HD2 PRO 80 HD2 PRO 80 1.698 0.649 8.652 375 HD3 PRO 80 HD3 PRO 80 1.993 1.671 10.092 376 H ALA 81 HN ALA 81 3.929 -3.421 9.767 377 HA ALA 81 HA ALA 81 5.347 -3.293 7.265 378 HB1 ALA 81 HB1 ALA 81 7.309 -3.234 8.552 379 HB2 ALA 81 HB2 ALA 81 6.619 -4.263 9.830 380 HB3 ALA 81 HB3 ALA 81 7.080 -4.975 8.265 381 H PHE 82 HN PHE 82 5.503 -5.530 6.285 382 HA PHE 82 HA PHE 82 3.677 -7.427 7.529 383 HB2 PHE 82 HB2 PHE 82 3.561 -6.364 4.642 384 HB3 PHE 82 HB3 PHE 82 2.524 -7.625 5.277 385 HD1 PHE 82 HD1 PHE 82 3.171 -4.042 5.182 386 HD2 PHE 82 HD2 PHE 82 0.730 -7.082 6.856 387 HE1 PHE 82 HE1 PHE 82 1.503 -2.308 5.901 388 HE2 PHE 82 HE2 PHE 82 -0.937 -5.349 7.575 389 HZ PHE 82 HZ PHE 82 -0.530 -2.983 7.089 390 H GLY 83 HN GLY 83 5.263 -8.987 7.869 391 HA2 GLY 83 HA1 GLY 83 7.121 -9.621 5.720 392 HA3 GLY 83 HA2 GLY 83 7.100 -10.271 7.347 393 H GLU 84 HN GLU 84 7.470 -12.333 5.987 394 HA GLU 84 HA GLU 84 5.143 -13.274 4.626 395 HB2 GLU 84 HB2 GLU 84 7.522 -13.783 3.917 396 HB3 GLU 84 HB3 GLU 84 7.694 -14.782 5.346 397 HG2 GLU 84 HG2 GLU 84 5.281 -15.671 4.183 398 HG3 GLU 84 HG3 GLU 84 6.330 -15.382 2.809 399 HE2 GLU 84 HE2 GLU 84 6.868 -18.550 5.027 400 H ALA 85 HN ALA 85 5.550 -12.735 7.768 401 HA ALA 85 HA ALA 85 5.061 -15.290 8.917 402 HB1 ALA 85 HB1 ALA 85 5.876 -13.991 10.580 403 HB2 ALA 85 HB2 ALA 85 5.389 -12.486 9.764 404 HB3 ALA 85 HB3 ALA 85 4.208 -13.390 10.742 405 H MET 86 HN MET 86 3.065 -12.507 7.813 406 HA MET 86 HA MET 86 0.729 -14.166 8.370 407 HB2 MET 86 HB2 MET 86 1.027 -11.847 9.524 408 HB3 MET 86 HB3 MET 86 0.800 -11.134 7.939 409 HG2 MET 86 HG2 MET 86 -1.461 -11.645 7.873 410 HG3 MET 86 HG3 MET 86 -1.259 -13.155 8.738 411 HE1 MET 86 HE1 MET 86 0.049 -9.727 9.289 412 HE2 MET 86 HE2 MET 86 -0.706 -9.114 10.779 413 HE3 MET 86 HE3 MET 86 0.607 -10.312 10.875 414 H ILE 87 HN ILE 87 2.015 -11.639 6.091 415 HA ILE 87 HA ILE 87 0.504 -13.009 3.975 416 HB ILE 87 HB ILE 87 1.108 -10.059 4.217 417 HG12 ILE 87 HG1 ILE 87 -1.290 -11.712 4.923 418 HG13 ILE 87 HG1 ILE 87 -0.567 -10.366 5.781 419 HG22 ILE 87 HG2 ILE 87 -0.027 -9.726 2.197 420 HG22 ILE 87 HG2 ILE 87 1.025 -11.128 1.889 421 HG22 ILE 87 HG2 ILE 87 -0.711 -11.370 2.200 422 HD11 ILE 87 HD1 ILE 87 -1.277 -8.908 3.743 423 HD11 ILE 87 HD1 ILE 87 -2.307 -10.288 3.292 424 HD11 ILE 87 HD1 ILE 87 -2.558 -9.461 4.848 425 HA PRO 88 HA PRO 88 4.628 -13.750 2.528 426 HB2 PRO 88 HB2 PRO 88 3.929 -15.382 0.466 427 HB3 PRO 88 HB3 PRO 88 3.754 -15.897 2.176 428 HG2 PRO 88 HG2 PRO 88 2.022 -14.689 0.456 429 HG3 PRO 88 HG3 PRO 88 1.320 -16.136 1.249 430 HD2 PRO 88 HD2 PRO 88 0.557 -13.847 2.232 431 HD3 PRO 88 HD3 PRO 88 1.335 -14.939 3.417 432 HA PRO 89 HA PRO 89 5.227 -10.601 -0.472 433 HB2 PRO 89 HB2 PRO 89 7.130 -11.945 -2.076 434 HB3 PRO 89 HB3 PRO 89 7.471 -11.035 -0.568 435 HG2 PRO 89 HG2 PRO 89 7.064 -13.961 -0.922 436 HG3 PRO 89 HG3 PRO 89 8.329 -13.217 0.111 437 HD2 PRO 89 HD2 PRO 89 6.104 -14.136 1.267 438 HD3 PRO 89 HD3 PRO 89 6.656 -12.491 1.707 439 H ALA 90 HN ALA 90 4.859 -14.022 -1.685 440 HA ALA 90 HA ALA 90 4.090 -13.259 -4.270 441 HB1 ALA 90 HB1 ALA 90 3.734 -15.533 -4.589 442 HB2 ALA 90 HB2 ALA 90 4.837 -15.559 -3.192 443 HB3 ALA 90 HB3 ALA 90 3.086 -15.771 -2.948 444 H ASP 91 HN ASP 91 2.444 -13.254 -1.164 445 HA ASP 91 HA ASP 91 -0.133 -13.165 -2.435 446 HB2 ASP 91 HB2 ASP 91 0.837 -13.089 0.447 447 HB3 ASP 91 HB3 ASP 91 -0.837 -12.751 0.053 448 HD2 ASP 91 HD2 ASP 91 -2.060 -15.314 -0.069 449 H ALA 92 HN ALA 92 2.444 -11.059 -1.755 450 HA ALA 92 HA ALA 92 0.802 -8.784 -1.020 451 HB1 ALA 92 HB1 ALA 92 3.703 -9.485 -1.104 452 HB2 ALA 92 HB2 ALA 92 3.286 -7.775 -1.372 453 HB3 ALA 92 HB3 ALA 92 2.777 -8.591 0.126 454 H LEU 93 HN LEU 93 2.414 -10.262 -3.824 455 HA LEU 93 HA LEU 93 2.409 -7.992 -5.467 456 HB2 LEU 93 HB2 LEU 93 2.430 -10.953 -6.029 457 HB3 LEU 93 HB3 LEU 93 2.505 -9.749 -7.299 458 HG LEU 93 HG LEU 93 4.503 -9.878 -5.029 459 HD11 LEU 93 HD1 LEU 93 4.662 -11.979 -6.173 460 HD11 LEU 93 HD1 LEU 93 4.632 -11.177 -7.762 461 HD11 LEU 93 HD1 LEU 93 6.029 -10.958 -6.681 462 HD22 LEU 93 HD2 LEU 93 5.808 -8.720 -7.079 463 HD22 LEU 93 HD2 LEU 93 4.150 -8.181 -7.436 464 HD22 LEU 93 HD2 LEU 93 4.885 -7.811 -5.858 465 H LYS 94 HN LYS 94 -0.147 -9.964 -4.210 466 HA LYS 94 HA LYS 94 -1.935 -9.375 -6.402 467 HB2 LYS 94 HB2 LYS 94 -3.505 -10.759 -5.256 468 HB3 LYS 94 HB3 LYS 94 -1.949 -11.561 -5.196 469 HG2 LYS 94 HG2 LYS 94 -2.021 -11.588 -2.932 470 HG3 LYS 94 HG3 LYS 94 -2.111 -9.838 -2.894 471 HD2 LYS 94 HD2 LYS 94 -4.101 -10.490 -1.797 472 HD3 LYS 94 HD3 LYS 94 -4.650 -10.137 -3.423 473 HE2 LYS 94 HE2 LYS 94 -3.751 -12.925 -3.199 474 HE3 LYS 94 HE3 LYS 94 -4.990 -12.567 -2.012 475 HZ1 LYS 94 HZ1 LYS 94 -5.970 -13.254 -4.129 476 HZ2 LYS 94 HZ2 LYS 94 -6.392 -11.711 -3.822 477 H ILE 95 HN ILE 95 -0.786 -7.881 -3.502 478 HA ILE 95 HA ILE 95 -3.202 -6.395 -3.024 479 HB ILE 95 HB ILE 95 -0.438 -6.012 -1.873 480 HG12 ILE 95 HG1 ILE 95 -1.406 -8.351 -1.627 481 HG13 ILE 95 HG1 ILE 95 -0.945 -7.525 -0.152 482 HG22 ILE 95 HG2 ILE 95 -3.135 -4.869 -1.298 483 HG22 ILE 95 HG2 ILE 95 -2.050 -5.206 0.072 484 HG22 ILE 95 HG2 ILE 95 -1.525 -4.113 -1.230 485 HD11 ILE 95 HD1 ILE 95 -3.527 -8.566 -0.874 486 HD11 ILE 95 HD1 ILE 95 -3.048 -7.764 0.641 487 HD11 ILE 95 HD1 ILE 95 -3.670 -6.798 -0.719 488 H GLY 96 HN GLY 96 -0.108 -6.027 -4.759 489 HA2 GLY 96 HA1 GLY 96 -0.114 -3.265 -5.130 490 HA3 GLY 96 HA2 GLY 96 0.621 -4.454 -6.187 491 H GLU 97 HN GLU 97 -2.315 -5.698 -6.315 492 HA GLU 97 HA GLU 97 -2.928 -4.384 -8.739 493 HB2 GLU 97 HB2 GLU 97 -4.777 -6.310 -7.301 494 HB3 GLU 97 HB3 GLU 97 -4.585 -6.071 -9.026 495 HG2 GLU 97 HG2 GLU 97 -2.127 -6.880 -8.686 496 HG3 GLU 97 HG3 GLU 97 -2.653 -7.429 -7.107 497 HE2 GLU 97 HE2 GLU 97 -2.872 -9.561 -10.129 498 H TYR 98 HN TYR 98 -4.526 -4.708 -5.552 499 HA TYR 98 HA TYR 98 -6.812 -3.195 -5.974 500 HB2 TYR 98 HB2 TYR 98 -6.010 -4.488 -3.902 501 HB3 TYR 98 HB3 TYR 98 -5.134 -3.012 -3.463 502 HD1 TYR 98 HD1 TYR 98 -6.190 -1.491 -2.075 503 HD2 TYR 98 HD2 TYR 98 -8.578 -4.084 -4.530 504 HE1 TYR 98 HE1 TYR 98 -8.249 -0.577 -1.038 505 HE2 TYR 98 HE2 TYR 98 -10.637 -3.169 -3.493 506 HH TYR 98 HH TYR 98 -10.634 -1.204 -0.677 507 H VAL 99 HN VAL 99 -3.427 -2.089 -5.723 508 HA VAL 99 HA VAL 99 -4.369 0.666 -5.545 509 HB VAL 99 HB VAL 99 -1.661 -0.647 -5.307 510 HG11 VAL 99 HG1 VAL 99 -2.395 2.213 -5.732 511 HG11 VAL 99 HG1 VAL 99 -1.142 1.862 -4.517 512 HG11 VAL 99 HG1 VAL 99 -0.928 1.321 -6.200 513 HG22 VAL 99 HG2 VAL 99 -1.974 -0.601 -3.089 514 HG22 VAL 99 HG2 VAL 99 -2.588 1.070 -3.127 515 HG22 VAL 99 HG2 VAL 99 -3.690 -0.291 -3.444 516 H VAL 100 HN VAL 100 -4.941 -0.981 -7.920 517 HA VAL 100 HA VAL 100 -3.675 0.782 -9.848 518 HB VAL 100 HB VAL 100 -3.516 -2.235 -9.943 519 HG11 VAL 100 HG1 VAL 100 -3.910 -1.884 -12.161 520 HG11 VAL 100 HG1 VAL 100 -3.377 -0.186 -12.104 521 HG11 VAL 100 HG1 VAL 100 -2.172 -1.496 -12.146 522 HG22 VAL 100 HG2 VAL 100 -1.114 -1.905 -10.026 523 HG22 VAL 100 HG2 VAL 100 -1.322 -0.137 -10.045 524 HG22 VAL 100 HG2 VAL 100 -1.776 -1.071 -8.599 525 H ALA 101 HN ALA 101 -6.373 0.132 -8.454 526 HA ALA 101 HA ALA 101 -7.878 -0.031 -10.966 527 HB1 ALA 101 HB1 ALA 101 -8.806 -1.302 -8.373 528 HB2 ALA 101 HB2 ALA 101 -9.445 -1.542 -10.017 529 HB3 ALA 101 HB3 ALA 101 -7.851 -2.200 -9.577 530 H SER 102 HN SER 102 -6.946 2.341 -9.674 531 HA SER 102 HA SER 102 -9.356 3.690 -9.449 532 HB2 SER 102 HB2 SER 102 -8.392 2.525 -6.963 533 HB3 SER 102 HB3 SER 102 -8.351 4.273 -6.844 534 HG SER 102 HG SER 102 -10.641 2.671 -7.617 535 H PHE 103 HN PHE 103 -5.869 3.453 -8.635 536 HA PHE 103 HA PHE 103 -5.402 5.943 -9.969 537 HB2 PHE 103 HB2 PHE 103 -4.032 6.523 -7.680 538 HB3 PHE 103 HB3 PHE 103 -5.689 7.045 -7.908 539 HD1 PHE 103 HD1 PHE 103 -4.081 3.820 -6.897 540 HD2 PHE 103 HD2 PHE 103 -6.931 6.831 -5.989 541 HE1 PHE 103 HE1 PHE 103 -4.763 2.555 -4.840 542 HE2 PHE 103 HE2 PHE 103 -7.613 5.565 -3.932 543 HZ PHE 103 HZ PHE 103 -6.521 3.442 -3.382 544 HA PRO 104 HA PRO 104 -2.308 2.461 -10.365 545 HB2 PRO 104 HB2 PRO 104 -2.367 3.713 -13.118 546 HB3 PRO 104 HB3 PRO 104 -2.349 1.991 -12.616 547 HG2 PRO 104 HG2 PRO 104 -4.555 3.192 -13.508 548 HG3 PRO 104 HG3 PRO 104 -4.698 1.941 -12.230 549 HD2 PRO 104 HD2 PRO 104 -4.803 4.966 -12.046 550 HD3 PRO 104 HD3 PRO 104 -5.648 3.740 -11.053 Start of MODEL 7 1 H ALA 25 HN ALA 25 -9.804 -7.885 -7.456 2 HA ALA 25 HA ALA 25 -11.911 -8.307 -5.466 3 HB1 ALA 25 HB1 ALA 25 -11.593 -9.622 -8.174 4 HB2 ALA 25 HB2 ALA 25 -12.391 -10.472 -6.829 5 HB3 ALA 25 HB3 ALA 25 -13.055 -8.933 -7.427 6 H GLY 26 HN GLY 26 -11.183 -9.499 -3.766 7 HA2 GLY 26 HA1 GLY 26 -10.047 -11.276 -2.796 8 HA3 GLY 26 HA2 GLY 26 -9.012 -11.410 -4.204 9 H GLY 27 HN GLY 27 -7.598 -9.321 -4.643 10 HA2 GLY 27 HA1 GLY 27 -5.824 -9.008 -2.531 11 HA3 GLY 27 HA2 GLY 27 -5.939 -7.978 -3.944 12 H GLY 28 HN GLY 28 -8.843 -7.287 -3.319 13 HA2 GLY 28 HA1 GLY 28 -8.318 -4.963 -1.766 14 HA3 GLY 28 HA2 GLY 28 -9.867 -5.514 -2.374 15 H GLU 29 HN GLU 29 -10.101 -8.069 -1.174 16 HA GLU 29 HA GLU 29 -11.144 -7.422 1.254 17 HB2 GLU 29 HB2 GLU 29 -11.653 -9.483 -0.070 18 HB3 GLU 29 HB3 GLU 29 -10.087 -10.142 0.362 19 HG2 GLU 29 HG2 GLU 29 -11.202 -11.074 2.129 20 HG3 GLU 29 HG3 GLU 29 -11.048 -9.487 2.856 21 HE2 GLU 29 HE2 GLU 29 -13.149 -11.113 3.443 22 H LEU 30 HN LEU 30 -7.808 -8.084 0.356 23 HA LEU 30 HA LEU 30 -6.996 -8.635 3.066 24 HB2 LEU 30 HB2 LEU 30 -5.355 -8.167 0.572 25 HB3 LEU 30 HB3 LEU 30 -4.758 -8.763 2.108 26 HG LEU 30 HG LEU 30 -6.504 -10.161 0.092 27 HD11 LEU 30 HD1 LEU 30 -4.785 -11.652 -0.143 28 HD11 LEU 30 HD1 LEU 30 -3.869 -10.178 0.253 29 HD11 LEU 30 HD1 LEU 30 -4.181 -11.397 1.512 30 HD22 LEU 30 HD2 LEU 30 -7.610 -10.429 2.273 31 HD22 LEU 30 HD2 LEU 30 -6.927 -11.959 1.672 32 HD22 LEU 30 HD2 LEU 30 -6.092 -11.056 2.958 33 H PHE 31 HN PHE 31 -6.890 -5.933 0.688 34 HA PHE 31 HA PHE 31 -5.365 -4.249 2.368 35 HB2 PHE 31 HB2 PHE 31 -5.481 -3.903 -0.058 36 HB3 PHE 31 HB3 PHE 31 -7.233 -3.939 -0.043 37 HD1 PHE 31 HD1 PHE 31 -4.409 -1.854 -0.135 38 HD2 PHE 31 HD2 PHE 31 -8.373 -2.028 1.371 39 HE1 PHE 31 HE1 PHE 31 -4.459 0.650 0.022 40 HE2 PHE 31 HE2 PHE 31 -8.423 0.477 1.528 41 HZ PHE 31 HZ PHE 31 -6.466 1.786 0.852 42 H ALA 32 HN ALA 32 -8.741 -5.182 2.262 43 HA ALA 32 HA ALA 32 -9.540 -2.815 3.759 44 HB1 ALA 32 HB1 ALA 32 -10.942 -3.616 1.883 45 HB2 ALA 32 HB2 ALA 32 -11.135 -5.185 2.701 46 HB3 ALA 32 HB3 ALA 32 -11.812 -3.711 3.433 47 H THR 33 HN THR 33 -7.610 -4.304 5.115 48 HA THR 33 HA THR 33 -8.948 -4.860 7.523 49 HB THR 33 HB THR 33 -8.408 -7.146 5.635 50 HG1 THR 33 HG1 THR 33 -10.507 -6.129 6.545 51 HG22 THR 33 HG2 THR 33 -8.582 -8.529 7.933 52 HG22 THR 33 HG2 THR 33 -6.995 -8.061 7.277 53 HG22 THR 33 HG2 THR 33 -7.734 -7.106 8.585 54 H HIS 34 HN HIS 34 -6.070 -5.318 5.436 55 HA HIS 34 HA HIS 34 -4.433 -5.049 7.839 56 HB2 HIS 34 HB2 HIS 34 -3.621 -5.901 5.047 57 HB3 HIS 34 HB3 HIS 34 -2.598 -5.897 6.470 58 HD1 HIS 34 HD1 HIS 34 -3.188 -7.688 8.375 59 HD2 HIS 34 HD2 HIS 34 -5.242 -8.144 4.745 60 HE1 HIS 34 HE1 HIS 34 -4.182 -10.038 8.406 61 H CYS 35 HN CYS 35 -5.882 -3.185 5.449 62 HA CYS 35 HA CYS 35 -3.796 -1.160 5.765 63 HB2 CYS 35 HB2 CYS 35 -5.372 -1.410 3.215 64 HB3 CYS 35 HB3 CYS 35 -3.924 -0.473 3.525 65 H ALA 36 HN ALA 36 -7.221 -1.980 4.903 66 HA ALA 36 HA ALA 36 -8.437 0.394 4.902 67 HB1 ALA 36 HB1 ALA 36 -10.067 -1.155 4.724 68 HB2 ALA 36 HB2 ALA 36 -9.130 -2.356 5.645 69 HB3 ALA 36 HB3 ALA 36 -10.122 -1.152 6.503 70 H GLY 37 HN GLY 37 -6.983 -1.242 7.724 71 HA2 GLY 37 HA1 GLY 37 -8.083 0.640 9.617 72 HA3 GLY 37 HA2 GLY 37 -6.930 -0.644 9.922 73 H CYS 38 HN CYS 38 -6.829 2.135 7.585 74 HA CYS 38 HA CYS 38 -5.240 3.827 8.963 75 HB2 CYS 38 HB2 CYS 38 -3.704 1.470 8.207 76 HB3 CYS 38 HB3 CYS 38 -3.039 2.919 7.478 77 H HIS 39 HN HIS 39 -5.964 2.087 5.936 78 HA HIS 39 HA HIS 39 -5.692 4.637 4.516 79 HB2 HIS 39 HB2 HIS 39 -5.174 1.806 3.601 80 HB3 HIS 39 HB3 HIS 39 -5.461 3.107 2.462 81 HD1 HIS 39 HD1 HIS 39 -3.769 5.354 3.102 82 HD2 HIS 39 HD2 HIS 39 -2.512 1.463 4.039 83 HE1 HIS 39 HE1 HIS 39 -1.232 5.464 3.358 84 HA PRO 40 HA PRO 40 -10.133 3.219 4.693 85 HB2 PRO 40 HB2 PRO 40 -11.171 5.340 6.016 86 HB3 PRO 40 HB3 PRO 40 -10.285 4.049 6.892 87 HG2 PRO 40 HG2 PRO 40 -8.874 6.838 6.030 88 HG3 PRO 40 HG3 PRO 40 -9.185 5.899 7.526 89 HD2 PRO 40 HD2 PRO 40 -6.962 5.568 5.831 90 HD3 PRO 40 HD3 PRO 40 -7.596 4.296 6.919 91 H GLN 41 HN GLN 41 -11.334 3.661 2.839 92 HA GLN 41 HA GLN 41 -11.814 4.597 0.924 93 HB2 GLN 41 HB2 GLN 41 -12.976 6.047 2.819 94 HB3 GLN 41 HB3 GLN 41 -11.891 7.306 2.264 95 HG2 GLN 41 HG2 GLN 41 -12.849 6.379 -0.146 96 HG3 GLN 41 HG3 GLN 41 -14.235 6.076 0.882 97 HE21 GLN 41 HE2 GLN 41 -15.595 7.660 1.230 98 HE21 GLN 41 HE2 GLN 41 -15.311 9.353 0.996 99 H GLY 42 HN GLY 42 -9.129 4.174 0.937 100 HA2 GLY 42 HA1 GLY 42 -7.170 4.811 0.038 101 HA3 GLY 42 HA2 GLY 42 -8.118 5.862 -0.995 102 H GLY 43 HN GLY 43 -8.442 6.398 2.456 103 HA2 GLY 43 HA1 GLY 43 -6.956 8.916 2.165 104 HA3 GLY 43 HA2 GLY 43 -8.177 8.544 3.365 105 H ASN 44 HN ASN 44 -6.721 9.224 5.079 106 HA ASN 44 HA ASN 44 -5.132 7.050 5.979 107 HB2 ASN 44 HB2 ASN 44 -3.857 9.262 4.585 108 HB3 ASN 44 HB3 ASN 44 -3.386 9.329 6.272 109 HD21 ASN 44 HD2 ASN 44 -1.542 8.828 4.348 110 HD21 ASN 44 HD2 ASN 44 -0.967 7.197 4.433 111 H THR 45 HN THR 45 -4.936 7.176 8.297 112 HA THR 45 HA THR 45 -6.248 9.523 9.493 113 HB THR 45 HB THR 45 -6.651 7.832 11.388 114 HG1 THR 45 HG1 THR 45 -6.316 5.572 10.480 115 HG22 THR 45 HG2 THR 45 -8.365 8.244 9.506 116 HG22 THR 45 HG2 THR 45 -7.661 6.832 8.680 117 HG22 THR 45 HG2 THR 45 -8.446 6.636 10.266 118 H VAL 46 HN VAL 46 -3.221 8.515 8.752 119 HA VAL 46 HA VAL 46 -2.151 9.409 11.338 120 HB VAL 46 HB VAL 46 -0.869 7.753 9.155 121 HG11 VAL 46 HG1 VAL 46 0.563 7.509 11.567 122 HG11 VAL 46 HG1 VAL 46 1.078 8.335 10.078 123 HG11 VAL 46 HG1 VAL 46 0.255 9.250 11.364 124 HG22 VAL 46 HG2 VAL 46 -0.907 6.137 11.323 125 HG22 VAL 46 HG2 VAL 46 -2.404 7.059 11.603 126 HG22 VAL 46 HG2 VAL 46 -2.186 6.155 10.085 127 H HIS 47 HN HIS 47 -1.436 9.485 7.770 128 HA HIS 47 HA HIS 47 -0.503 12.229 8.211 129 HB2 HIS 47 HB2 HIS 47 0.518 10.089 6.334 130 HB3 HIS 47 HB3 HIS 47 0.911 11.785 6.134 131 HD1 HIS 47 HD1 HIS 47 3.365 10.355 6.541 132 HD2 HIS 47 HD2 HIS 47 0.958 11.311 9.841 133 HE1 HIS 47 HE1 HIS 47 4.884 10.245 8.589 134 HA PRO 48 HA PRO 48 -3.885 13.025 5.428 135 HB2 PRO 48 HB2 PRO 48 -4.314 15.581 6.109 136 HB3 PRO 48 HB3 PRO 48 -4.573 14.285 7.321 137 HG2 PRO 48 HG2 PRO 48 -2.071 16.002 6.965 138 HG3 PRO 48 HG3 PRO 48 -2.918 15.663 8.509 139 HD2 PRO 48 HD2 PRO 48 -0.682 14.260 7.596 140 HD3 PRO 48 HD3 PRO 48 -1.925 13.543 8.665 141 H GLU 49 HN GLU 49 -0.671 13.479 5.017 142 HA GLU 49 HA GLU 49 -1.141 15.278 2.770 143 HB2 GLU 49 HB2 GLU 49 1.495 15.041 4.273 144 HB3 GLU 49 HB3 GLU 49 1.069 16.229 3.058 145 HG2 GLU 49 HG2 GLU 49 -0.813 16.142 5.357 146 HG3 GLU 49 HG3 GLU 49 0.821 16.591 5.801 147 HE2 GLU 49 HE2 GLU 49 0.624 18.779 5.950 148 H LYS 50 HN LYS 50 -0.587 12.134 3.699 149 HA LYS 50 HA LYS 50 0.826 11.582 1.189 150 HB2 LYS 50 HB2 LYS 50 1.265 10.012 3.737 151 HB3 LYS 50 HB3 LYS 50 2.141 9.880 2.226 152 HG2 LYS 50 HG2 LYS 50 2.063 12.522 3.723 153 HG3 LYS 50 HG3 LYS 50 3.193 11.270 4.201 154 HD2 LYS 50 HD2 LYS 50 4.466 11.474 2.272 155 HD3 LYS 50 HD3 LYS 50 3.087 11.877 1.269 156 HE2 LYS 50 HE2 LYS 50 3.474 13.978 3.244 157 HE3 LYS 50 HE3 LYS 50 4.993 13.673 2.428 158 HZ1 LYS 50 HZ1 LYS 50 3.529 15.298 1.260 159 HZ2 LYS 50 HZ2 LYS 50 3.925 14.035 0.312 160 H THR 51 HN THR 51 -1.131 11.179 0.089 161 HA THR 51 HA THR 51 -2.785 9.031 1.219 162 HB THR 51 HB THR 51 -4.522 9.929 -0.264 163 HG1 THR 51 HG1 THR 51 -3.710 11.839 -1.611 164 HG22 THR 51 HG2 THR 51 -3.499 12.605 0.327 165 HG22 THR 51 HG2 THR 51 -4.900 11.770 1.039 166 HG22 THR 51 HG2 THR 51 -3.278 11.538 1.735 167 H LEU 52 HN LEU 52 -3.970 8.084 -1.121 168 HA LEU 52 HA LEU 52 -1.693 6.615 -2.207 169 HB2 LEU 52 HB2 LEU 52 -4.659 6.038 -2.242 170 HB3 LEU 52 HB3 LEU 52 -3.430 5.029 -2.978 171 HG LEU 52 HG LEU 52 -3.732 5.629 -0.023 172 HD11 LEU 52 HD1 LEU 52 -4.956 3.782 0.158 173 HD11 LEU 52 HD1 LEU 52 -5.090 3.796 -1.617 174 HD11 LEU 52 HD1 LEU 52 -3.814 2.837 -0.828 175 HD22 LEU 52 HD2 LEU 52 -1.529 5.252 0.083 176 HD22 LEU 52 HD2 LEU 52 -1.954 3.549 -0.210 177 HD22 LEU 52 HD2 LEU 52 -1.461 4.589 -1.567 178 H ALA 53 HN ALA 53 -2.574 9.469 -2.914 179 HA ALA 53 HA ALA 53 -3.591 9.192 -5.589 180 HB1 ALA 53 HB1 ALA 53 -2.375 11.721 -4.516 181 HB2 ALA 53 HB2 ALA 53 -3.835 11.492 -5.507 182 HB3 ALA 53 HB3 ALA 53 -3.872 11.114 -3.768 183 H ARG 54 HN ARG 54 -2.424 9.109 -7.472 184 HA ARG 54 HA ARG 54 0.175 8.343 -7.414 185 HB2 ARG 54 HB2 ARG 54 -1.441 8.132 -9.356 186 HB3 ARG 54 HB3 ARG 54 -1.224 9.838 -9.690 187 HG2 ARG 54 HG2 ARG 54 1.382 9.137 -9.675 188 HG3 ARG 54 HG3 ARG 54 0.718 7.564 -10.068 189 HD2 ARG 54 HD2 ARG 54 -0.681 8.877 -11.888 190 HD3 ARG 54 HD3 ARG 54 0.502 10.148 -11.649 191 HE ARG 54 HE ARG 54 2.138 8.005 -12.014 192 H ALA 55 HN ALA 55 -1.251 11.611 -7.480 193 HA ALA 55 HA ALA 55 0.795 13.146 -8.393 194 HB1 ALA 55 HB1 ALA 55 -1.611 13.468 -6.906 195 HB2 ALA 55 HB2 ALA 55 -0.342 14.363 -6.037 196 HB3 ALA 55 HB3 ALA 55 -0.669 14.721 -7.749 197 H ARG 56 HN ARG 56 0.398 11.675 -5.119 198 HA ARG 56 HA ARG 56 2.870 12.833 -4.290 199 HB2 ARG 56 HB2 ARG 56 0.627 11.326 -3.039 200 HB3 ARG 56 HB3 ARG 56 2.195 10.947 -2.354 201 HG2 ARG 56 HG2 ARG 56 1.308 12.808 -1.089 202 HG3 ARG 56 HG3 ARG 56 2.612 13.439 -2.075 203 HD2 ARG 56 HD2 ARG 56 1.078 14.419 -3.665 204 HD3 ARG 56 HD3 ARG 56 -0.281 13.514 -3.030 205 HE ARG 56 HE ARG 56 0.767 16.006 -1.978 206 H ARG 57 HN ARG 57 1.568 9.690 -5.406 207 HA ARG 57 HA ARG 57 3.758 8.163 -4.640 208 HB2 ARG 57 HB2 ARG 57 1.954 7.621 -7.044 209 HB3 ARG 57 HB3 ARG 57 2.805 6.435 -6.074 210 HG2 ARG 57 HG2 ARG 57 1.090 8.117 -4.391 211 HG3 ARG 57 HG3 ARG 57 0.161 7.377 -5.680 212 HD2 ARG 57 HD2 ARG 57 2.032 5.839 -3.813 213 HD3 ARG 57 HD3 ARG 57 0.298 5.958 -3.590 214 HE ARG 57 HE ARG 57 1.658 4.223 -5.451 215 H GLU 58 HN GLU 58 3.527 10.680 -6.897 216 HA GLU 58 HA GLU 58 5.279 9.509 -8.837 217 HB2 GLU 58 HB2 GLU 58 4.702 11.283 -10.182 218 HB3 GLU 58 HB3 GLU 58 3.345 11.371 -9.076 219 HG2 GLU 58 HG2 GLU 58 4.558 13.059 -7.699 220 HG3 GLU 58 HG3 GLU 58 5.942 12.952 -8.768 221 HE2 GLU 58 HE2 GLU 58 2.451 13.408 -9.996 222 H ALA 59 HN ALA 59 5.378 12.078 -6.289 223 HA ALA 59 HA ALA 59 7.958 12.956 -6.735 224 HB1 ALA 59 HB1 ALA 59 6.953 12.721 -3.925 225 HB2 ALA 59 HB2 ALA 59 7.646 14.122 -4.778 226 HB3 ALA 59 HB3 ALA 59 5.957 13.644 -5.076 227 H ASN 60 HN ASN 60 6.774 10.349 -4.496 228 HA ASN 60 HA ASN 60 9.447 9.618 -3.892 229 HB2 ASN 60 HB2 ASN 60 6.699 8.463 -3.255 230 HB3 ASN 60 HB3 ASN 60 8.148 7.574 -2.831 231 HD21 ASN 60 HD2 ASN 60 7.440 11.059 -2.867 232 HD21 ASN 60 HD2 ASN 60 7.768 11.370 -1.194 233 H GLY 61 HN GLY 61 6.787 8.584 -6.059 234 HA2 GLY 61 HA1 GLY 61 6.992 7.398 -8.010 235 HA3 GLY 61 HA2 GLY 61 8.629 6.940 -7.585 236 H ILE 62 HN ILE 62 5.155 6.297 -6.896 237 HA ILE 62 HA ILE 62 5.895 3.533 -6.341 238 HB ILE 62 HB ILE 62 4.116 5.184 -4.543 239 HG12 ILE 62 HG1 ILE 62 6.977 4.289 -4.316 240 HG13 ILE 62 HG1 ILE 62 6.276 5.861 -3.986 241 HG22 ILE 62 HG2 ILE 62 3.613 3.286 -3.344 242 HG22 ILE 62 HG2 ILE 62 3.641 2.651 -5.006 243 HG22 ILE 62 HG2 ILE 62 5.038 2.398 -3.933 244 HD11 ILE 62 HD1 ILE 62 5.801 3.331 -2.342 245 HD11 ILE 62 HD1 ILE 62 6.839 4.700 -1.878 246 HD11 ILE 62 HD1 ILE 62 5.078 4.923 -2.009 247 H ARG 63 HN ARG 63 5.109 3.997 -8.767 248 HA ARG 63 HA ARG 63 2.223 3.613 -8.707 249 HB2 ARG 63 HB2 ARG 63 3.681 4.481 -11.216 250 HB3 ARG 63 HB3 ARG 63 2.017 4.784 -10.755 251 HG2 ARG 63 HG2 ARG 63 2.738 6.853 -10.126 252 HG3 ARG 63 HG3 ARG 63 3.394 6.056 -8.709 253 HD2 ARG 63 HD2 ARG 63 5.181 7.369 -9.715 254 HD3 ARG 63 HD3 ARG 63 5.557 5.677 -9.971 255 HE ARG 63 HE ARG 63 4.017 6.829 -12.172 256 H THR 64 HN THR 64 3.401 1.318 -8.180 257 HA THR 64 HA THR 64 3.119 -0.208 -10.604 258 HB THR 64 HB THR 64 5.427 -1.249 -10.304 259 HG1 THR 64 HG1 THR 64 6.827 0.128 -8.912 260 HG22 THR 64 HG2 THR 64 6.671 0.517 -11.373 261 HG22 THR 64 HG2 THR 64 4.990 0.756 -11.906 262 HG22 THR 64 HG2 THR 64 5.668 1.778 -10.616 263 H VAL 65 HN VAL 65 2.749 -2.441 -10.224 264 HA VAL 65 HA VAL 65 1.420 -2.937 -7.817 265 HB VAL 65 HB VAL 65 2.369 -4.623 -10.118 266 HG11 VAL 65 HG1 VAL 65 0.759 -5.631 -7.749 267 HG11 VAL 65 HG1 VAL 65 1.212 -6.552 -9.203 268 HG11 VAL 65 HG1 VAL 65 2.469 -6.014 -8.063 269 HG22 VAL 65 HG2 VAL 65 -0.433 -3.982 -9.146 270 HG22 VAL 65 HG2 VAL 65 0.439 -3.040 -10.380 271 HG22 VAL 65 HG2 VAL 65 0.035 -4.747 -10.683 272 H ARG 66 HN ARG 66 4.594 -4.188 -9.073 273 HA ARG 66 HA ARG 66 5.291 -5.698 -6.984 274 HB2 ARG 66 HB2 ARG 66 6.927 -3.898 -8.806 275 HB3 ARG 66 HB3 ARG 66 7.731 -4.823 -7.553 276 HG2 ARG 66 HG2 ARG 66 6.524 -6.904 -8.487 277 HG3 ARG 66 HG3 ARG 66 6.047 -5.911 -9.850 278 HD2 ARG 66 HD2 ARG 66 8.238 -5.723 -10.669 279 HD3 ARG 66 HD3 ARG 66 8.965 -5.915 -9.086 280 HE ARG 66 HE ARG 66 8.192 -8.059 -10.924 281 H ASP 67 HN ASP 67 6.396 -2.242 -7.385 282 HA ASP 67 HA ASP 67 7.598 -1.786 -5.116 283 HB2 ASP 67 HB2 ASP 67 5.592 -0.121 -6.644 284 HB3 ASP 67 HB3 ASP 67 6.211 0.512 -5.132 285 HD2 ASP 67 HD2 ASP 67 8.231 1.937 -5.797 286 H VAL 68 HN VAL 68 4.050 -2.160 -5.576 287 HA VAL 68 HA VAL 68 3.520 -1.566 -2.795 288 HB VAL 68 HB VAL 68 1.745 -2.415 -5.091 289 HG11 VAL 68 HG1 VAL 68 1.183 -1.829 -2.203 290 HG11 VAL 68 HG1 VAL 68 -0.013 -1.353 -3.433 291 HG11 VAL 68 HG1 VAL 68 0.474 -3.058 -3.278 292 HG22 VAL 68 HG2 VAL 68 3.017 -0.012 -4.775 293 HG22 VAL 68 HG2 VAL 68 1.478 -0.245 -5.639 294 HG22 VAL 68 HG2 VAL 68 1.473 0.289 -3.941 295 H ALA 69 HN ALA 69 5.335 -3.597 -2.827 296 HA ALA 69 HA ALA 69 3.839 -5.696 -1.609 297 HB1 ALA 69 HB1 ALA 69 3.710 -7.148 -3.316 298 HB2 ALA 69 HB2 ALA 69 4.384 -5.911 -4.404 299 HB3 ALA 69 HB3 ALA 69 5.470 -7.043 -3.562 300 H ALA 70 HN ALA 70 6.946 -4.528 -3.028 301 HA ALA 70 HA ALA 70 8.517 -6.071 -1.212 302 HB1 ALA 70 HB1 ALA 70 9.162 -3.744 -3.068 303 HB2 ALA 70 HB2 ALA 70 10.373 -4.709 -2.189 304 HB3 ALA 70 HB3 ALA 70 9.350 -5.477 -3.427 305 H TYR 71 HN TYR 71 8.089 -2.536 -1.662 306 HA TYR 71 HA TYR 71 9.283 -1.617 0.642 307 HB2 TYR 71 HB2 TYR 71 7.210 -0.691 -1.217 308 HB3 TYR 71 HB3 TYR 71 7.035 -0.009 0.409 309 HD1 TYR 71 HD1 TYR 71 8.050 2.033 0.750 310 HD2 TYR 71 HD2 TYR 71 9.836 -0.743 -1.998 311 HE1 TYR 71 HE1 TYR 71 9.842 3.675 0.256 312 HE2 TYR 71 HE2 TYR 71 11.628 0.899 -2.493 313 HH TYR 71 HH TYR 71 12.658 3.103 -0.964 314 H ILE 72 HN ILE 72 5.733 -2.475 0.342 315 HA ILE 72 HA ILE 72 4.962 -2.014 2.869 316 HB ILE 72 HB ILE 72 3.347 -3.854 2.571 317 HG12 ILE 72 HG1 ILE 72 4.463 -4.441 -0.144 318 HG13 ILE 72 HG1 ILE 72 5.202 -5.217 1.242 319 HG22 ILE 72 HG2 ILE 72 2.696 -1.783 1.670 320 HG22 ILE 72 HG2 ILE 72 3.834 -1.917 0.308 321 HG22 ILE 72 HG2 ILE 72 2.399 -2.968 0.375 322 HD11 ILE 72 HD1 ILE 72 3.043 -6.154 1.945 323 HD11 ILE 72 HD1 ILE 72 2.207 -5.264 0.650 324 HD11 ILE 72 HD1 ILE 72 3.342 -6.573 0.242 325 H ARG 73 HN ARG 73 7.050 -4.673 1.711 326 HA ARG 73 HA ARG 73 6.918 -6.250 3.943 327 HB2 ARG 73 HB2 ARG 73 8.155 -6.526 1.599 328 HB3 ARG 73 HB3 ARG 73 9.533 -5.859 2.451 329 HG2 ARG 73 HG2 ARG 73 7.960 -8.214 3.570 330 HG3 ARG 73 HG3 ARG 73 9.267 -8.448 2.427 331 HD2 ARG 73 HD2 ARG 73 10.132 -6.622 4.531 332 HD3 ARG 73 HD3 ARG 73 9.477 -8.079 5.252 333 HE ARG 73 HE ARG 73 11.085 -9.092 3.261 334 H ASN 74 HN ASN 74 9.578 -3.903 3.079 335 HA ASN 74 HA ASN 74 9.884 -3.471 5.946 336 HB2 ASN 74 HB2 ASN 74 11.769 -4.767 4.585 337 HB3 ASN 74 HB3 ASN 74 12.187 -3.176 3.981 338 HD21 ASN 74 HD2 ASN 74 11.313 -4.759 7.053 339 HD21 ASN 74 HD2 ASN 74 12.515 -3.999 8.041 340 HA PRO 75 HA PRO 75 9.077 0.508 3.676 341 HB2 PRO 75 HB2 PRO 75 6.879 1.282 5.103 342 HB3 PRO 75 HB3 PRO 75 6.781 0.079 3.776 343 HG2 PRO 75 HG2 PRO 75 6.885 -0.318 6.683 344 HG3 PRO 75 HG3 PRO 75 5.847 -1.188 5.507 345 HD2 PRO 75 HD2 PRO 75 8.224 -2.200 6.581 346 HD3 PRO 75 HD3 PRO 75 7.581 -2.674 4.979 347 H GLY 76 HN GLY 76 8.827 2.822 4.810 348 HA2 GLY 76 HA1 GLY 76 10.861 2.899 6.865 349 HA3 GLY 76 HA2 GLY 76 10.104 4.252 6.049 350 HA PRO 77 HA PRO 77 8.566 3.977 10.462 351 HB2 PRO 77 HB2 PRO 77 8.903 6.704 10.886 352 HB3 PRO 77 HB3 PRO 77 10.180 5.475 11.163 353 HG2 PRO 77 HG2 PRO 77 9.669 7.146 8.888 354 HG3 PRO 77 HG3 PRO 77 11.318 6.962 9.569 355 HD2 PRO 77 HD2 PRO 77 10.706 5.576 7.387 356 HD3 PRO 77 HD3 PRO 77 11.437 4.674 8.749 357 H GLY 78 HN GLY 78 6.492 4.870 11.257 358 HA2 GLY 78 HA1 GLY 78 4.582 6.173 11.003 359 HA3 GLY 78 HA2 GLY 78 5.009 6.510 9.338 360 H MET 79 HN MET 79 5.658 3.687 8.646 361 HA MET 79 HA MET 79 2.938 2.629 8.759 362 HB2 MET 79 HB2 MET 79 4.022 3.550 6.495 363 HB3 MET 79 HB3 MET 79 4.906 2.037 6.510 364 HG2 MET 79 HG2 MET 79 2.910 0.724 6.345 365 HG3 MET 79 HG3 MET 79 1.885 2.051 6.853 366 HE1 MET 79 HE1 MET 79 3.240 0.001 4.501 367 HE2 MET 79 HE2 MET 79 2.309 0.455 3.054 368 HE3 MET 79 HE3 MET 79 4.005 0.969 3.217 369 HA PRO 80 HA PRO 80 4.615 -0.831 10.898 370 HB2 PRO 80 HB2 PRO 80 2.346 -2.263 9.515 371 HB3 PRO 80 HB3 PRO 80 2.760 -2.134 11.256 372 HG2 PRO 80 HG2 PRO 80 0.675 -0.692 10.203 373 HG3 PRO 80 HG3 PRO 80 1.829 -0.262 11.507 374 HD2 PRO 80 HD2 PRO 80 1.768 0.585 8.571 375 HD3 PRO 80 HD3 PRO 80 2.099 1.579 10.022 376 H ALA 81 HN ALA 81 3.964 -3.524 9.575 377 HA ALA 81 HA ALA 81 5.339 -3.377 7.055 378 HB1 ALA 81 HB1 ALA 81 7.212 -4.830 7.790 379 HB2 ALA 81 HB2 ALA 81 7.233 -3.253 8.616 380 HB3 ALA 81 HB3 ALA 81 6.641 -4.698 9.471 381 H PHE 82 HN PHE 82 5.394 -5.550 5.998 382 HA PHE 82 HA PHE 82 3.668 -7.506 7.290 383 HB2 PHE 82 HB2 PHE 82 3.335 -6.384 4.443 384 HB3 PHE 82 HB3 PHE 82 2.316 -7.611 5.168 385 HD1 PHE 82 HD1 PHE 82 0.668 -7.015 6.872 386 HD2 PHE 82 HD2 PHE 82 3.083 -4.048 5.035 387 HE1 PHE 82 HE1 PHE 82 -0.874 -5.229 7.728 388 HE2 PHE 82 HE2 PHE 82 1.541 -2.263 5.891 389 HZ PHE 82 HZ PHE 82 -0.419 -2.875 7.228 390 H GLY 83 HN GLY 83 5.212 -9.118 7.428 391 HA2 GLY 83 HA1 GLY 83 6.877 -9.659 5.079 392 HA3 GLY 83 HA2 GLY 83 7.087 -10.291 6.699 393 H GLU 84 HN GLU 84 7.333 -12.360 5.321 394 HA GLU 84 HA GLU 84 4.961 -13.383 4.174 395 HB2 GLU 84 HB2 GLU 84 6.276 -15.398 3.770 396 HB3 GLU 84 HB3 GLU 84 7.254 -13.993 3.394 397 HG2 GLU 84 HG2 GLU 84 8.761 -14.452 5.049 398 HG3 GLU 84 HG3 GLU 84 7.505 -14.788 6.224 399 HE2 GLU 84 HE2 GLU 84 9.238 -17.753 4.228 400 H ALA 85 HN ALA 85 5.700 -12.779 7.336 401 HA ALA 85 HA ALA 85 5.145 -15.194 8.634 402 HB1 ALA 85 HB1 ALA 85 6.186 -13.432 9.852 403 HB2 ALA 85 HB2 ALA 85 4.917 -12.267 9.404 404 HB3 ALA 85 HB3 ALA 85 4.554 -13.585 10.544 405 H MET 86 HN MET 86 3.061 -12.519 7.415 406 HA MET 86 HA MET 86 0.786 -14.241 8.037 407 HB2 MET 86 HB2 MET 86 1.054 -11.910 9.209 408 HB3 MET 86 HB3 MET 86 0.713 -11.207 7.640 409 HG2 MET 86 HG2 MET 86 -1.492 -12.233 7.558 410 HG3 MET 86 HG3 MET 86 -1.142 -13.251 8.941 411 HE1 MET 86 HE1 MET 86 -0.001 -12.202 10.938 412 HE2 MET 86 HE2 MET 86 -0.513 -10.685 11.717 413 HE3 MET 86 HE3 MET 86 -1.602 -12.093 11.708 414 H ILE 87 HN ILE 87 1.928 -11.620 5.786 415 HA ILE 87 HA ILE 87 0.407 -12.991 3.677 416 HB ILE 87 HB ILE 87 1.010 -10.041 3.921 417 HG12 ILE 87 HG1 ILE 87 -1.335 -11.701 4.755 418 HG13 ILE 87 HG1 ILE 87 -0.601 -10.318 5.544 419 HG22 ILE 87 HG2 ILE 87 0.798 -11.172 1.599 420 HG22 ILE 87 HG2 ILE 87 -0.933 -11.292 1.996 421 HG22 ILE 87 HG2 ILE 87 -0.141 -9.699 1.937 422 HD11 ILE 87 HD1 ILE 87 -2.742 -9.614 4.633 423 HD11 ILE 87 HD1 ILE 87 -1.462 -8.857 3.655 424 HD11 ILE 87 HD1 ILE 87 -2.334 -10.279 3.033 425 HA PRO 88 HA PRO 88 4.506 -13.689 2.138 426 HB2 PRO 88 HB2 PRO 88 3.775 -15.307 0.077 427 HB3 PRO 88 HB3 PRO 88 3.641 -15.840 1.784 428 HG2 PRO 88 HG2 PRO 88 1.864 -14.627 0.114 429 HG3 PRO 88 HG3 PRO 88 1.188 -16.088 0.906 430 HD2 PRO 88 HD2 PRO 88 0.430 -13.816 1.931 431 HD3 PRO 88 HD3 PRO 88 1.244 -14.913 3.087 432 HA PRO 89 HA PRO 89 5.015 -10.499 -0.837 433 HB2 PRO 89 HB2 PRO 89 6.897 -11.816 -2.491 434 HB3 PRO 89 HB3 PRO 89 7.259 -10.908 -0.987 435 HG2 PRO 89 HG2 PRO 89 6.852 -13.798 -1.375 436 HG3 PRO 89 HG3 PRO 89 8.152 -13.132 -0.334 437 HD2 PRO 89 HD2 PRO 89 5.964 -14.036 0.856 438 HD3 PRO 89 HD3 PRO 89 6.500 -12.387 1.300 439 H ALA 90 HN ALA 90 4.620 -13.913 -2.052 440 HA ALA 90 HA ALA 90 3.799 -13.127 -4.622 441 HB1 ALA 90 HB1 ALA 90 4.574 -15.442 -3.524 442 HB2 ALA 90 HB2 ALA 90 2.815 -15.667 -3.368 443 HB3 ALA 90 HB3 ALA 90 3.539 -15.392 -4.971 444 H ASP 91 HN ASP 91 2.237 -13.145 -1.481 445 HA ASP 91 HA ASP 91 -0.375 -13.091 -2.688 446 HB2 ASP 91 HB2 ASP 91 0.669 -13.036 0.168 447 HB3 ASP 91 HB3 ASP 91 -1.016 -12.697 -0.175 448 HD2 ASP 91 HD2 ASP 91 -0.240 -15.890 -1.992 449 H ALA 92 HN ALA 92 2.193 -10.958 -2.045 450 HA ALA 92 HA ALA 92 0.523 -8.709 -1.281 451 HB1 ALA 92 HB1 ALA 92 3.490 -9.233 -1.549 452 HB2 ALA 92 HB2 ALA 92 2.864 -7.572 -1.419 453 HB3 ALA 92 HB3 ALA 92 2.563 -8.741 -0.111 454 H LEU 93 HN LEU 93 2.002 -10.224 -4.099 455 HA LEU 93 HA LEU 93 2.086 -7.941 -5.738 456 HB2 LEU 93 HB2 LEU 93 1.950 -10.895 -6.340 457 HB3 LEU 93 HB3 LEU 93 2.128 -9.665 -7.576 458 HG LEU 93 HG LEU 93 4.071 -10.027 -5.281 459 HD11 LEU 93 HD1 LEU 93 4.790 -11.870 -6.294 460 HD11 LEU 93 HD1 LEU 93 3.728 -11.600 -7.698 461 HD11 LEU 93 HD1 LEU 93 5.332 -10.831 -7.634 462 HD22 LEU 93 HD2 LEU 93 4.116 -7.793 -6.212 463 HD22 LEU 93 HD2 LEU 93 5.580 -8.681 -6.702 464 HD22 LEU 93 HD2 LEU 93 4.250 -8.448 -7.862 465 H LYS 94 HN LYS 94 -0.518 -9.868 -4.475 466 HA LYS 94 HA LYS 94 -2.318 -9.186 -6.626 467 HB2 LYS 94 HB2 LYS 94 -3.960 -10.451 -5.337 468 HB3 LYS 94 HB3 LYS 94 -2.484 -11.371 -5.556 469 HG2 LYS 94 HG2 LYS 94 -2.090 -11.466 -3.314 470 HG3 LYS 94 HG3 LYS 94 -2.352 -9.745 -3.116 471 HD2 LYS 94 HD2 LYS 94 -4.287 -10.275 -2.049 472 HD3 LYS 94 HD3 LYS 94 -4.933 -10.712 -3.618 473 HE2 LYS 94 HE2 LYS 94 -5.230 -12.580 -2.032 474 HE3 LYS 94 HE3 LYS 94 -4.134 -13.053 -3.315 475 HZ1 LYS 94 HZ1 LYS 94 -2.802 -13.623 -1.588 476 HZ2 LYS 94 HZ2 LYS 94 -2.432 -12.040 -1.486 477 H ILE 95 HN ILE 95 -1.164 -7.847 -3.611 478 HA ILE 95 HA ILE 95 -3.490 -6.265 -3.118 479 HB ILE 95 HB ILE 95 -0.690 -5.953 -2.034 480 HG12 ILE 95 HG1 ILE 95 -1.709 -8.276 -1.793 481 HG13 ILE 95 HG1 ILE 95 -1.175 -7.481 -0.325 482 HG22 ILE 95 HG2 ILE 95 -2.299 -5.166 -0.043 483 HG22 ILE 95 HG2 ILE 95 -1.679 -4.056 -1.289 484 HG22 ILE 95 HG2 ILE 95 -3.325 -4.720 -1.427 485 HD11 ILE 95 HD1 ILE 95 -3.257 -7.639 0.543 486 HD11 ILE 95 HD1 ILE 95 -3.910 -6.695 -0.818 487 HD11 ILE 95 HD1 ILE 95 -3.793 -8.467 -0.939 488 H GLY 96 HN GLY 96 -0.283 -5.809 -4.695 489 HA2 GLY 96 HA1 GLY 96 -0.327 -3.088 -5.108 490 HA3 GLY 96 HA2 GLY 96 0.416 -4.265 -6.173 491 H GLU 97 HN GLU 97 -2.319 -5.627 -6.584 492 HA GLU 97 HA GLU 97 -2.981 -4.147 -8.877 493 HB2 GLU 97 HB2 GLU 97 -4.713 -6.314 -7.643 494 HB3 GLU 97 HB3 GLU 97 -4.541 -5.902 -9.337 495 HG2 GLU 97 HG2 GLU 97 -2.032 -6.558 -9.064 496 HG3 GLU 97 HG3 GLU 97 -2.507 -7.280 -7.540 497 HE2 GLU 97 HE2 GLU 97 -2.413 -8.766 -10.820 498 H TYR 98 HN TYR 98 -4.669 -4.842 -5.795 499 HA TYR 98 HA TYR 98 -7.034 -3.454 -6.174 500 HB2 TYR 98 HB2 TYR 98 -6.444 -4.828 -4.201 501 HB3 TYR 98 HB3 TYR 98 -5.335 -3.558 -3.659 502 HD1 TYR 98 HD1 TYR 98 -6.100 -1.810 -2.300 503 HD2 TYR 98 HD2 TYR 98 -8.932 -4.200 -4.472 504 HE1 TYR 98 HE1 TYR 98 -7.961 -0.697 -1.097 505 HE2 TYR 98 HE2 TYR 98 -10.793 -3.087 -3.269 506 HH TYR 98 HH TYR 98 -11.038 -0.627 -2.007 507 H VAL 99 HN VAL 99 -3.744 -2.138 -5.719 508 HA VAL 99 HA VAL 99 -4.892 0.524 -5.390 509 HB VAL 99 HB VAL 99 -2.089 -0.576 -5.143 510 HG11 VAL 99 HG1 VAL 99 -3.100 2.232 -5.270 511 HG11 VAL 99 HG1 VAL 99 -1.835 1.859 -4.073 512 HG11 VAL 99 HG1 VAL 99 -1.546 1.546 -5.802 513 HG22 VAL 99 HG2 VAL 99 -4.314 -0.154 -3.283 514 HG22 VAL 99 HG2 VAL 99 -2.830 -1.120 -3.097 515 HG22 VAL 99 HG2 VAL 99 -2.804 0.626 -2.753 516 H VAL 100 HN VAL 100 -5.249 -0.971 -7.896 517 HA VAL 100 HA VAL 100 -3.908 0.953 -9.632 518 HB VAL 100 HB VAL 100 -3.890 -2.051 -9.953 519 HG11 VAL 100 HG1 VAL 100 -2.451 -1.115 -12.073 520 HG11 VAL 100 HG1 VAL 100 -4.159 -1.612 -12.153 521 HG11 VAL 100 HG1 VAL 100 -3.741 0.108 -11.969 522 HG22 VAL 100 HG2 VAL 100 -1.513 -0.197 -10.090 523 HG22 VAL 100 HG2 VAL 100 -2.126 -0.796 -8.530 524 HG22 VAL 100 HG2 VAL 100 -1.561 -1.946 -9.764 525 H ALA 101 HN ALA 101 -6.689 0.157 -8.350 526 HA ALA 101 HA ALA 101 -8.125 0.425 -10.894 527 HB1 ALA 101 HB1 ALA 101 -8.949 -1.648 -10.562 528 HB2 ALA 101 HB2 ALA 101 -8.261 -1.737 -8.923 529 HB3 ALA 101 HB3 ALA 101 -9.843 -0.964 -9.182 530 H SER 102 HN SER 102 -7.471 2.714 -9.772 531 HA SER 102 HA SER 102 -9.818 3.914 -9.164 532 HB2 SER 102 HB2 SER 102 -9.033 4.416 -6.594 533 HB3 SER 102 HB3 SER 102 -10.228 3.211 -7.032 534 HG SER 102 HG SER 102 -7.394 2.655 -6.813 535 H PHE 103 HN PHE 103 -6.293 3.693 -8.645 536 HA PHE 103 HA PHE 103 -5.882 6.232 -9.792 537 HB2 PHE 103 HB2 PHE 103 -4.656 6.885 -7.443 538 HB3 PHE 103 HB3 PHE 103 -6.323 7.327 -7.754 539 HD1 PHE 103 HD1 PHE 103 -4.861 4.021 -6.837 540 HD2 PHE 103 HD2 PHE 103 -7.400 7.228 -5.705 541 HE1 PHE 103 HE1 PHE 103 -5.583 2.734 -4.806 542 HE2 PHE 103 HE2 PHE 103 -8.121 5.941 -3.675 543 HZ PHE 103 HZ PHE 103 -7.204 3.709 -3.250 544 HA PRO 104 HA PRO 104 -2.322 3.337 -9.832 545 HB2 PRO 104 HB2 PRO 104 -2.304 2.738 -12.474 546 HB3 PRO 104 HB3 PRO 104 -3.501 1.994 -11.364 547 HG2 PRO 104 HG2 PRO 104 -3.844 4.184 -13.190 548 HG3 PRO 104 HG3 PRO 104 -5.087 2.930 -12.875 549 HD2 PRO 104 HD2 PRO 104 -5.092 5.520 -11.784 550 HD3 PRO 104 HD3 PRO 104 -5.898 4.113 -11.028 Start of MODEL 8 1 H ALA 25 HN ALA 25 -11.155 -6.471 -5.689 2 HA ALA 25 HA ALA 25 -12.972 -8.760 -5.481 3 HB1 ALA 25 HB1 ALA 25 -11.756 -7.234 -7.661 4 HB2 ALA 25 HB2 ALA 25 -11.456 -8.981 -7.824 5 HB3 ALA 25 HB3 ALA 25 -13.123 -8.373 -7.695 6 H GLY 26 HN GLY 26 -11.511 -9.149 -3.429 7 HA2 GLY 26 HA1 GLY 26 -10.288 -11.101 -2.841 8 HA3 GLY 26 HA2 GLY 26 -9.335 -10.939 -4.304 9 H GLY 27 HN GLY 27 -7.778 -9.124 -4.486 10 HA2 GLY 27 HA1 GLY 27 -6.108 -8.841 -2.336 11 HA3 GLY 27 HA2 GLY 27 -6.202 -7.729 -3.688 12 H GLY 28 HN GLY 28 -9.133 -7.110 -3.051 13 HA2 GLY 28 HA1 GLY 28 -8.663 -4.846 -1.415 14 HA3 GLY 28 HA2 GLY 28 -10.208 -5.434 -1.998 15 H GLU 29 HN GLU 29 -10.233 -8.066 -0.869 16 HA GLU 29 HA GLU 29 -11.255 -7.520 1.611 17 HB2 GLU 29 HB2 GLU 29 -11.766 -9.546 0.259 18 HB3 GLU 29 HB3 GLU 29 -10.153 -10.163 0.556 19 HG2 GLU 29 HG2 GLU 29 -10.692 -9.995 3.077 20 HG3 GLU 29 HG3 GLU 29 -12.355 -9.695 2.612 21 HE2 GLU 29 HE2 GLU 29 -12.970 -13.029 2.151 22 H LEU 30 HN LEU 30 -7.930 -8.070 0.580 23 HA LEU 30 HA LEU 30 -7.028 -8.627 3.267 24 HB2 LEU 30 HB2 LEU 30 -5.420 -8.153 0.757 25 HB3 LEU 30 HB3 LEU 30 -4.848 -8.836 2.266 26 HG LEU 30 HG LEU 30 -6.813 -10.096 0.336 27 HD11 LEU 30 HD1 LEU 30 -5.090 -11.158 -0.582 28 HD11 LEU 30 HD1 LEU 30 -4.023 -10.053 0.318 29 HD11 LEU 30 HD1 LEU 30 -4.449 -11.637 1.008 30 HD22 LEU 30 HD2 LEU 30 -6.278 -10.651 3.177 31 HD22 LEU 30 HD2 LEU 30 -7.663 -11.097 2.153 32 HD22 LEU 30 HD2 LEU 30 -6.174 -12.070 2.109 33 H PHE 31 HN PHE 31 -6.934 -5.964 0.835 34 HA PHE 31 HA PHE 31 -5.391 -4.263 2.479 35 HB2 PHE 31 HB2 PHE 31 -5.517 -3.973 0.042 36 HB3 PHE 31 HB3 PHE 31 -7.269 -3.971 0.072 37 HD1 PHE 31 HD1 PHE 31 -4.401 -1.950 -0.077 38 HD2 PHE 31 HD2 PHE 31 -8.359 -2.009 1.452 39 HE1 PHE 31 HE1 PHE 31 -4.397 0.558 0.031 40 HE2 PHE 31 HE2 PHE 31 -8.354 0.499 1.561 41 HZ PHE 31 HZ PHE 31 -6.373 1.752 0.849 42 H ALA 32 HN ALA 32 -8.742 -5.220 2.477 43 HA ALA 32 HA ALA 32 -9.541 -2.795 3.888 44 HB1 ALA 32 HB1 ALA 32 -11.418 -5.071 3.390 45 HB2 ALA 32 HB2 ALA 32 -11.685 -3.317 3.249 46 HB3 ALA 32 HB3 ALA 32 -10.811 -4.190 1.968 47 H THR 33 HN THR 33 -7.582 -4.257 5.253 48 HA THR 33 HA THR 33 -8.881 -4.727 7.703 49 HB THR 33 HB THR 33 -8.284 -7.098 5.914 50 HG1 THR 33 HG1 THR 33 -10.475 -6.792 6.256 51 HG22 THR 33 HG2 THR 33 -8.372 -7.168 8.975 52 HG22 THR 33 HG2 THR 33 -8.262 -8.575 7.890 53 HG22 THR 33 HG2 THR 33 -6.899 -7.437 8.013 54 H HIS 34 HN HIS 34 -6.039 -5.260 5.584 55 HA HIS 34 HA HIS 34 -4.363 -4.917 7.950 56 HB2 HIS 34 HB2 HIS 34 -3.575 -5.844 5.175 57 HB3 HIS 34 HB3 HIS 34 -2.557 -5.830 6.602 58 HD1 HIS 34 HD1 HIS 34 -3.221 -7.563 8.553 59 HD2 HIS 34 HD2 HIS 34 -5.183 -8.088 4.883 60 HE1 HIS 34 HE1 HIS 34 -4.236 -9.903 8.614 61 H CYS 35 HN CYS 35 -5.895 -3.071 5.658 62 HA CYS 35 HA CYS 35 -3.793 -1.057 5.843 63 HB2 CYS 35 HB2 CYS 35 -5.373 -1.351 3.305 64 HB3 CYS 35 HB3 CYS 35 -3.899 -0.448 3.591 65 H ALA 36 HN ALA 36 -7.216 -1.913 5.000 66 HA ALA 36 HA ALA 36 -8.444 0.451 4.939 67 HB1 ALA 36 HB1 ALA 36 -9.121 -2.279 5.764 68 HB2 ALA 36 HB2 ALA 36 -10.119 -1.056 6.586 69 HB3 ALA 36 HB3 ALA 36 -10.065 -1.112 4.808 70 H GLY 37 HN GLY 37 -7.022 -1.121 7.823 71 HA2 GLY 37 HA1 GLY 37 -8.108 0.834 9.647 72 HA3 GLY 37 HA2 GLY 37 -6.973 -0.454 10.000 73 H CYS 38 HN CYS 38 -6.822 2.253 7.582 74 HA CYS 38 HA CYS 38 -5.220 3.964 8.924 75 HB2 CYS 38 HB2 CYS 38 -3.709 1.570 8.230 76 HB3 CYS 38 HB3 CYS 38 -3.024 2.994 7.473 77 H HIS 39 HN HIS 39 -5.958 2.155 5.941 78 HA HIS 39 HA HIS 39 -5.643 4.662 4.455 79 HB2 HIS 39 HB2 HIS 39 -5.169 1.799 3.621 80 HB3 HIS 39 HB3 HIS 39 -5.442 3.068 2.444 81 HD1 HIS 39 HD1 HIS 39 -3.711 5.291 2.930 82 HD2 HIS 39 HD2 HIS 39 -2.520 1.457 4.143 83 HE1 HIS 39 HE1 HIS 39 -1.175 5.382 3.198 84 HA PRO 40 HA PRO 40 -10.110 3.328 4.682 85 HB2 PRO 40 HB2 PRO 40 -11.103 5.534 5.905 86 HB3 PRO 40 HB3 PRO 40 -10.255 4.258 6.838 87 HG2 PRO 40 HG2 PRO 40 -8.781 6.961 5.867 88 HG3 PRO 40 HG3 PRO 40 -9.100 6.106 7.412 89 HD2 PRO 40 HD2 PRO 40 -6.890 5.643 5.745 90 HD3 PRO 40 HD3 PRO 40 -7.566 4.424 6.867 91 H GLN 41 HN GLN 41 -10.871 3.544 2.572 92 HA GLN 41 HA GLN 41 -11.373 4.441 0.656 93 HB2 GLN 41 HB2 GLN 41 -12.210 6.421 2.671 94 HB3 GLN 41 HB3 GLN 41 -11.950 7.146 1.098 95 HG2 GLN 41 HG2 GLN 41 -14.280 6.385 1.273 96 HG3 GLN 41 HG3 GLN 41 -13.447 5.440 0.055 97 HE21 GLN 41 HE2 GLN 41 -15.608 4.312 0.867 98 HE21 GLN 41 HE2 GLN 41 -15.362 3.013 1.987 99 H GLY 42 HN GLY 42 -8.805 4.138 0.529 100 HA2 GLY 42 HA1 GLY 42 -6.801 4.907 -0.167 101 HA3 GLY 42 HA2 GLY 42 -7.759 5.920 -1.229 102 H GLY 43 HN GLY 43 -8.021 6.255 2.302 103 HA2 GLY 43 HA1 GLY 43 -6.759 8.910 2.069 104 HA3 GLY 43 HA2 GLY 43 -7.970 8.435 3.243 105 H ASN 44 HN ASN 44 -6.466 9.255 4.912 106 HA ASN 44 HA ASN 44 -4.712 7.126 5.723 107 HB2 ASN 44 HB2 ASN 44 -3.782 10.026 5.383 108 HB3 ASN 44 HB3 ASN 44 -2.870 8.813 6.259 109 HD21 ASN 44 HD2 ASN 44 -1.219 8.172 5.117 110 HD21 ASN 44 HD2 ASN 44 -1.192 7.781 3.430 111 H THR 45 HN THR 45 -4.474 7.106 8.064 112 HA THR 45 HA THR 45 -6.170 9.085 9.435 113 HB THR 45 HB THR 45 -6.334 7.182 11.155 114 HG1 THR 45 HG1 THR 45 -4.438 6.023 10.433 115 HG22 THR 45 HG2 THR 45 -7.232 5.722 8.786 116 HG22 THR 45 HG2 THR 45 -8.215 6.484 10.060 117 HG22 THR 45 HG2 THR 45 -7.684 7.439 8.655 118 H VAL 46 HN VAL 46 -2.988 8.466 8.720 119 HA VAL 46 HA VAL 46 -2.132 9.432 11.361 120 HB VAL 46 HB VAL 46 -0.654 7.824 9.269 121 HG11 VAL 46 HG1 VAL 46 0.523 8.283 11.965 122 HG11 VAL 46 HG1 VAL 46 1.312 8.115 10.378 123 HG11 VAL 46 HG1 VAL 46 0.547 9.656 10.833 124 HG22 VAL 46 HG2 VAL 46 -1.577 6.071 10.303 125 HG22 VAL 46 HG2 VAL 46 -0.603 6.495 11.731 126 HG22 VAL 46 HG2 VAL 46 -2.270 7.102 11.578 127 H HIS 47 HN HIS 47 -1.270 9.551 7.827 128 HA HIS 47 HA HIS 47 -0.570 12.360 8.289 129 HB2 HIS 47 HB2 HIS 47 0.658 10.304 6.444 130 HB3 HIS 47 HB3 HIS 47 0.927 12.024 6.248 131 HD1 HIS 47 HD1 HIS 47 3.485 10.885 6.713 132 HD2 HIS 47 HD2 HIS 47 0.900 11.460 9.966 133 HE1 HIS 47 HE1 HIS 47 4.950 10.866 8.801 134 HA PRO 48 HA PRO 48 -4.011 12.841 5.488 135 HB2 PRO 48 HB2 PRO 48 -4.697 15.332 6.191 136 HB3 PRO 48 HB3 PRO 48 -4.849 14.002 7.385 137 HG2 PRO 48 HG2 PRO 48 -2.708 15.769 6.925 138 HG3 PRO 48 HG3 PRO 48 -3.219 15.650 8.641 139 HD2 PRO 48 HD2 PRO 48 -1.056 14.304 7.873 140 HD3 PRO 48 HD3 PRO 48 -2.299 13.406 8.796 141 H GLU 49 HN GLU 49 -0.884 13.467 5.046 142 HA GLU 49 HA GLU 49 -1.460 15.307 2.859 143 HB2 GLU 49 HB2 GLU 49 1.178 15.264 4.375 144 HB3 GLU 49 HB3 GLU 49 0.646 16.444 3.194 145 HG2 GLU 49 HG2 GLU 49 -1.258 16.162 5.436 146 HG3 GLU 49 HG3 GLU 49 0.340 16.641 5.975 147 HE2 GLU 49 HE2 GLU 49 -2.324 17.592 4.051 148 H LYS 50 HN LYS 50 -0.814 12.196 3.638 149 HA LYS 50 HA LYS 50 0.777 11.817 1.205 150 HB2 LYS 50 HB2 LYS 50 1.146 10.173 3.720 151 HB3 LYS 50 HB3 LYS 50 2.094 10.108 2.248 152 HG2 LYS 50 HG2 LYS 50 1.871 12.740 3.726 153 HG3 LYS 50 HG3 LYS 50 2.946 11.506 4.353 154 HD2 LYS 50 HD2 LYS 50 4.388 11.616 2.518 155 HD3 LYS 50 HD3 LYS 50 3.121 12.099 1.408 156 HE2 LYS 50 HE2 LYS 50 4.162 14.153 1.607 157 HE3 LYS 50 HE3 LYS 50 3.094 14.295 2.989 158 HZ1 LYS 50 HZ1 LYS 50 5.337 14.796 3.674 159 HZ2 LYS 50 HZ2 LYS 50 4.938 13.379 4.369 160 H THR 51 HN THR 51 -1.548 11.710 0.401 161 HA THR 51 HA THR 51 -3.004 9.347 1.210 162 HB THR 51 HB THR 51 -4.631 10.261 -0.506 163 HG1 THR 51 HG1 THR 51 -2.518 11.219 -1.586 164 HG22 THR 51 HG2 THR 51 -4.544 11.218 1.890 165 HG22 THR 51 HG2 THR 51 -3.526 12.522 1.232 166 HG22 THR 51 HG2 THR 51 -5.197 12.319 0.653 167 H LEU 52 HN LEU 52 -4.074 8.268 -1.007 168 HA LEU 52 HA LEU 52 -1.727 7.005 -2.176 169 HB2 LEU 52 HB2 LEU 52 -4.650 6.242 -2.150 170 HB3 LEU 52 HB3 LEU 52 -3.393 5.331 -2.963 171 HG LEU 52 HG LEU 52 -3.595 5.835 0.019 172 HD11 LEU 52 HD1 LEU 52 -3.582 3.070 -0.653 173 HD11 LEU 52 HD1 LEU 52 -4.875 4.029 0.105 174 HD11 LEU 52 HD1 LEU 52 -4.803 3.875 -1.666 175 HD22 LEU 52 HD2 LEU 52 -1.727 4.008 -0.019 176 HD22 LEU 52 HD2 LEU 52 -1.431 4.617 -1.666 177 HD22 LEU 52 HD2 LEU 52 -1.312 5.720 -0.273 178 H ALA 53 HN ALA 53 -2.768 9.801 -2.848 179 HA ALA 53 HA ALA 53 -3.888 9.554 -5.461 180 HB1 ALA 53 HB1 ALA 53 -4.424 11.674 -4.956 181 HB2 ALA 53 HB2 ALA 53 -3.422 11.589 -3.487 182 HB3 ALA 53 HB3 ALA 53 -2.703 12.121 -5.025 183 H ARG 54 HN ARG 54 -2.847 9.324 -7.391 184 HA ARG 54 HA ARG 54 -0.299 8.496 -7.534 185 HB2 ARG 54 HB2 ARG 54 -1.973 8.342 -9.383 186 HB3 ARG 54 HB3 ARG 54 -1.845 10.068 -9.657 187 HG2 ARG 54 HG2 ARG 54 0.809 9.341 -9.803 188 HG3 ARG 54 HG3 ARG 54 0.047 7.882 -10.405 189 HD2 ARG 54 HD2 ARG 54 -1.362 9.511 -11.925 190 HD3 ARG 54 HD3 ARG 54 -0.135 10.699 -11.533 191 HE ARG 54 HE ARG 54 0.896 8.100 -12.485 192 H ALA 55 HN ALA 55 -1.529 11.861 -8.169 193 HA ALA 55 HA ALA 55 0.713 13.142 -8.890 194 HB1 ALA 55 HB1 ALA 55 -0.966 14.658 -8.777 195 HB2 ALA 55 HB2 ALA 55 -1.762 13.812 -7.428 196 HB3 ALA 55 HB3 ALA 55 -0.412 14.927 -7.107 197 H ARG 56 HN ARG 56 -0.020 11.729 -5.716 198 HA ARG 56 HA ARG 56 2.301 13.017 -4.600 199 HB2 ARG 56 HB2 ARG 56 -0.170 11.890 -3.565 200 HB3 ARG 56 HB3 ARG 56 1.177 11.089 -2.781 201 HG2 ARG 56 HG2 ARG 56 0.890 14.123 -2.996 202 HG3 ARG 56 HG3 ARG 56 0.391 13.190 -1.599 203 HD2 ARG 56 HD2 ARG 56 2.689 12.435 -1.195 204 HD3 ARG 56 HD3 ARG 56 3.238 13.137 -2.704 205 HE ARG 56 HE ARG 56 2.895 14.536 -0.209 206 H ARG 57 HN ARG 57 0.953 9.669 -5.077 207 HA ARG 57 HA ARG 57 3.150 8.317 -4.188 208 HB2 ARG 57 HB2 ARG 57 0.806 7.728 -5.943 209 HB3 ARG 57 HB3 ARG 57 2.169 6.651 -6.174 210 HG2 ARG 57 HG2 ARG 57 2.118 6.667 -3.456 211 HG3 ARG 57 HG3 ARG 57 0.428 7.024 -3.753 212 HD2 ARG 57 HD2 ARG 57 1.602 4.801 -5.390 213 HD3 ARG 57 HD3 ARG 57 1.434 4.482 -3.675 214 HE ARG 57 HE ARG 57 -0.914 4.530 -3.896 215 H GLU 58 HN GLU 58 2.788 10.303 -6.990 216 HA GLU 58 HA GLU 58 4.685 8.880 -8.577 217 HB2 GLU 58 HB2 GLU 58 4.093 10.328 -10.278 218 HB3 GLU 58 HB3 GLU 58 2.665 10.488 -9.273 219 HG2 GLU 58 HG2 GLU 58 3.588 12.525 -8.216 220 HG3 GLU 58 HG3 GLU 58 5.091 12.338 -9.099 221 HE2 GLU 58 HE2 GLU 58 3.973 14.495 -11.258 222 H ALA 59 HN ALA 59 4.572 11.977 -6.696 223 HA ALA 59 HA ALA 59 7.045 12.958 -7.248 224 HB1 ALA 59 HB1 ALA 59 4.994 13.589 -5.563 225 HB2 ALA 59 HB2 ALA 59 6.225 13.058 -4.393 226 HB3 ALA 59 HB3 ALA 59 6.587 14.381 -5.527 227 H ASN 60 HN ASN 60 6.150 10.429 -4.816 228 HA ASN 60 HA ASN 60 8.856 10.130 -4.032 229 HB2 ASN 60 HB2 ASN 60 6.262 8.638 -3.469 230 HB3 ASN 60 HB3 ASN 60 7.788 7.959 -2.941 231 HD21 ASN 60 HD2 ASN 60 6.641 11.318 -3.167 232 HD21 ASN 60 HD2 ASN 60 6.846 11.736 -1.499 233 H GLY 61 HN GLY 61 6.666 8.837 -6.478 234 HA2 GLY 61 HA1 GLY 61 7.186 7.574 -8.302 235 HA3 GLY 61 HA2 GLY 61 8.790 7.278 -7.659 236 H ILE 62 HN ILE 62 5.307 6.477 -7.003 237 HA ILE 62 HA ILE 62 6.181 3.735 -6.483 238 HB ILE 62 HB ILE 62 4.477 5.459 -4.696 239 HG12 ILE 62 HG1 ILE 62 7.056 3.923 -4.347 240 HG13 ILE 62 HG1 ILE 62 6.783 5.644 -4.159 241 HG22 ILE 62 HG2 ILE 62 3.212 3.723 -4.155 242 HG22 ILE 62 HG2 ILE 62 4.083 2.690 -5.313 243 HG22 ILE 62 HG2 ILE 62 4.667 2.838 -3.638 244 HD11 ILE 62 HD1 ILE 62 6.698 5.035 -1.929 245 HD11 ILE 62 HD1 ILE 62 4.985 4.773 -2.337 246 HD11 ILE 62 HD1 ILE 62 6.111 3.395 -2.292 247 H ARG 63 HN ARG 63 5.430 4.114 -8.925 248 HA ARG 63 HA ARG 63 2.558 3.640 -8.936 249 HB2 ARG 63 HB2 ARG 63 4.183 4.505 -11.363 250 HB3 ARG 63 HB3 ARG 63 2.449 4.612 -11.139 251 HG2 ARG 63 HG2 ARG 63 2.649 6.678 -10.229 252 HG3 ARG 63 HG3 ARG 63 3.718 6.063 -8.985 253 HD2 ARG 63 HD2 ARG 63 4.693 6.718 -11.802 254 HD3 ARG 63 HD3 ARG 63 4.691 7.900 -10.509 255 HE ARG 63 HE ARG 63 6.023 5.866 -9.302 256 H THR 64 HN THR 64 3.724 1.390 -8.269 257 HA THR 64 HA THR 64 3.592 -0.236 -10.645 258 HB THR 64 HB THR 64 5.885 -1.250 -10.133 259 HG1 THR 64 HG1 THR 64 5.976 1.254 -8.602 260 HG22 THR 64 HG2 THR 64 6.082 1.758 -10.637 261 HG22 THR 64 HG2 THR 64 7.189 0.486 -11.207 262 HG22 THR 64 HG2 THR 64 5.553 0.616 -11.897 263 H VAL 65 HN VAL 65 3.123 -2.417 -10.211 264 HA VAL 65 HA VAL 65 1.691 -2.830 -7.855 265 HB VAL 65 HB VAL 65 2.731 -4.596 -10.055 266 HG11 VAL 65 HG1 VAL 65 2.736 -5.949 -7.992 267 HG11 VAL 65 HG1 VAL 65 1.036 -5.505 -7.704 268 HG11 VAL 65 HG1 VAL 65 1.473 -6.477 -9.129 269 HG22 VAL 65 HG2 VAL 65 0.652 -4.417 -10.968 270 HG22 VAL 65 HG2 VAL 65 -0.159 -4.326 -9.387 271 HG22 VAL 65 HG2 VAL 65 0.654 -2.890 -10.054 272 H ARG 66 HN ARG 66 4.969 -3.984 -8.897 273 HA ARG 66 HA ARG 66 5.559 -5.514 -6.777 274 HB2 ARG 66 HB2 ARG 66 7.321 -3.608 -8.380 275 HB3 ARG 66 HB3 ARG 66 7.999 -4.693 -7.182 276 HG2 ARG 66 HG2 ARG 66 7.049 -6.651 -8.379 277 HG3 ARG 66 HG3 ARG 66 6.284 -5.591 -9.546 278 HD2 ARG 66 HD2 ARG 66 8.338 -4.981 -10.550 279 HD3 ARG 66 HD3 ARG 66 9.274 -5.372 -9.121 280 HE ARG 66 HE ARG 66 9.442 -7.574 -9.879 281 H ASP 67 HN ASP 67 6.617 -2.035 -7.084 282 HA ASP 67 HA ASP 67 7.639 -1.569 -4.730 283 HB2 ASP 67 HB2 ASP 67 5.708 0.073 -6.381 284 HB3 ASP 67 HB3 ASP 67 6.237 0.709 -4.836 285 HD2 ASP 67 HD2 ASP 67 7.461 2.277 -5.543 286 H VAL 68 HN VAL 68 4.122 -1.910 -5.458 287 HA VAL 68 HA VAL 68 3.431 -1.438 -2.681 288 HB VAL 68 HB VAL 68 1.697 -2.143 -5.056 289 HG11 VAL 68 HG1 VAL 68 0.861 -0.737 -2.510 290 HG11 VAL 68 HG1 VAL 68 -0.164 -1.484 -3.759 291 HG11 VAL 68 HG1 VAL 68 0.812 -2.509 -2.680 292 HG22 VAL 68 HG2 VAL 68 1.264 0.527 -4.484 293 HG22 VAL 68 HG2 VAL 68 3.026 0.360 -4.299 294 HG22 VAL 68 HG2 VAL 68 2.244 -0.108 -5.828 295 H ALA 69 HN ALA 69 5.115 -3.500 -2.582 296 HA ALA 69 HA ALA 69 3.527 -5.586 -1.580 297 HB1 ALA 69 HB1 ALA 69 3.056 -6.500 -3.641 298 HB2 ALA 69 HB2 ALA 69 4.515 -5.818 -4.399 299 HB3 ALA 69 HB3 ALA 69 4.643 -7.256 -3.358 300 H ALA 70 HN ALA 70 6.661 -4.496 -2.973 301 HA ALA 70 HA ALA 70 8.146 -6.260 -1.255 302 HB1 ALA 70 HB1 ALA 70 10.018 -5.505 -2.449 303 HB2 ALA 70 HB2 ALA 70 8.713 -5.390 -3.654 304 HB3 ALA 70 HB3 ALA 70 9.276 -3.928 -2.809 305 H TYR 71 HN TYR 71 8.070 -2.700 -1.701 306 HA TYR 71 HA TYR 71 9.405 -1.891 0.553 307 HB2 TYR 71 HB2 TYR 71 7.254 -0.791 -1.155 308 HB3 TYR 71 HB3 TYR 71 7.376 -0.057 0.453 309 HD1 TYR 71 HD1 TYR 71 10.290 -0.149 0.945 310 HD2 TYR 71 HD2 TYR 71 8.104 0.816 -2.625 311 HE1 TYR 71 HE1 TYR 71 12.184 1.248 0.163 312 HE2 TYR 71 HE2 TYR 71 9.998 2.212 -3.407 313 HH TYR 71 HH TYR 71 12.213 3.492 -1.781 314 H ILE 72 HN ILE 72 5.812 -2.573 0.389 315 HA ILE 72 HA ILE 72 5.118 -2.002 2.912 316 HB ILE 72 HB ILE 72 3.503 -3.917 2.720 317 HG12 ILE 72 HG1 ILE 72 4.363 -4.339 -0.103 318 HG13 ILE 72 HG1 ILE 72 5.311 -5.124 1.143 319 HG22 ILE 72 HG2 ILE 72 2.251 -2.362 1.760 320 HG22 ILE 72 HG2 ILE 72 3.715 -1.493 1.241 321 HG22 ILE 72 HG2 ILE 72 2.990 -2.725 0.182 322 HD11 ILE 72 HD1 ILE 72 2.481 -5.613 0.315 323 HD11 ILE 72 HD1 ILE 72 3.704 -6.756 0.922 324 HD11 ILE 72 HD1 ILE 72 2.813 -5.718 2.061 325 H ARG 73 HN ARG 73 7.086 -4.779 1.811 326 HA ARG 73 HA ARG 73 6.982 -6.306 4.043 327 HB2 ARG 73 HB2 ARG 73 8.167 -6.871 1.888 328 HB3 ARG 73 HB3 ARG 73 9.450 -5.757 2.318 329 HG2 ARG 73 HG2 ARG 73 10.465 -7.415 3.480 330 HG3 ARG 73 HG3 ARG 73 9.113 -7.436 4.594 331 HD2 ARG 73 HD2 ARG 73 8.287 -9.384 3.727 332 HD3 ARG 73 HD3 ARG 73 8.469 -8.827 2.075 333 HE ARG 73 HE ARG 73 11.083 -9.329 2.958 334 H ASN 74 HN ASN 74 9.664 -3.959 3.257 335 HA ASN 74 HA ASN 74 9.868 -3.507 6.130 336 HB2 ASN 74 HB2 ASN 74 11.803 -4.798 4.853 337 HB3 ASN 74 HB3 ASN 74 12.224 -3.218 4.223 338 HD21 ASN 74 HD2 ASN 74 11.303 -4.756 7.303 339 HD21 ASN 74 HD2 ASN 74 12.467 -3.957 8.305 340 HA PRO 75 HA PRO 75 9.149 0.503 3.945 341 HB2 PRO 75 HB2 PRO 75 6.935 1.283 5.323 342 HB3 PRO 75 HB3 PRO 75 6.849 0.054 4.019 343 HG2 PRO 75 HG2 PRO 75 6.899 -0.238 6.825 344 HG3 PRO 75 HG3 PRO 75 5.897 -1.304 5.786 345 HD2 PRO 75 HD2 PRO 75 8.322 -2.062 6.941 346 HD3 PRO 75 HD3 PRO 75 7.710 -2.746 5.405 347 H GLY 76 HN GLY 76 8.861 2.808 5.113 348 HA2 GLY 76 HA1 GLY 76 10.851 2.835 7.231 349 HA3 GLY 76 HA2 GLY 76 10.192 4.205 6.359 350 HA PRO 77 HA PRO 77 8.440 4.117 10.688 351 HB2 PRO 77 HB2 PRO 77 8.767 6.863 10.997 352 HB3 PRO 77 HB3 PRO 77 10.022 5.643 11.392 353 HG2 PRO 77 HG2 PRO 77 9.632 7.209 9.018 354 HG3 PRO 77 HG3 PRO 77 11.245 7.044 9.785 355 HD2 PRO 77 HD2 PRO 77 10.723 5.562 7.643 356 HD3 PRO 77 HD3 PRO 77 11.380 4.719 9.079 357 H GLY 78 HN GLY 78 6.334 5.029 11.352 358 HA2 GLY 78 HA1 GLY 78 4.437 6.320 10.969 359 HA3 GLY 78 HA2 GLY 78 4.936 6.596 9.312 360 H MET 79 HN MET 79 5.608 3.763 8.731 361 HA MET 79 HA MET 79 2.896 2.682 8.805 362 HB2 MET 79 HB2 MET 79 3.999 3.580 6.542 363 HB3 MET 79 HB3 MET 79 4.902 2.079 6.593 364 HG2 MET 79 HG2 MET 79 2.927 0.739 6.420 365 HG3 MET 79 HG3 MET 79 1.877 2.058 6.898 366 HE1 MET 79 HE1 MET 79 2.312 0.015 3.871 367 HE2 MET 79 HE2 MET 79 3.365 0.963 2.793 368 HE3 MET 79 HE3 MET 79 3.987 0.376 4.353 369 HA PRO 80 HA PRO 80 4.590 -0.717 11.029 370 HB2 PRO 80 HB2 PRO 80 2.361 -2.204 9.639 371 HB3 PRO 80 HB3 PRO 80 2.748 -2.039 11.383 372 HG2 PRO 80 HG2 PRO 80 0.662 -0.649 10.271 373 HG3 PRO 80 HG3 PRO 80 1.784 -0.180 11.591 374 HD2 PRO 80 HD2 PRO 80 1.755 0.629 8.645 375 HD3 PRO 80 HD3 PRO 80 2.058 1.643 10.088 376 H ALA 81 HN ALA 81 4.010 -3.442 9.755 377 HA ALA 81 HA ALA 81 5.450 -3.301 7.260 378 HB1 ALA 81 HB1 ALA 81 6.645 -4.538 9.770 379 HB2 ALA 81 HB2 ALA 81 7.232 -4.868 8.122 380 HB3 ALA 81 HB3 ALA 81 7.322 -3.219 8.785 381 H PHE 82 HN PHE 82 5.607 -5.542 6.269 382 HA PHE 82 HA PHE 82 3.735 -7.426 7.457 383 HB2 PHE 82 HB2 PHE 82 3.659 -6.289 4.597 384 HB3 PHE 82 HB3 PHE 82 2.625 -7.584 5.167 385 HD1 PHE 82 HD1 PHE 82 3.126 -4.016 5.024 386 HD2 PHE 82 HD2 PHE 82 0.906 -7.094 6.923 387 HE1 PHE 82 HE1 PHE 82 1.427 -2.328 5.776 388 HE2 PHE 82 HE2 PHE 82 -0.792 -5.406 7.675 389 HZ PHE 82 HZ PHE 82 -0.512 -3.043 7.092 390 H GLY 83 HN GLY 83 5.055 -9.184 7.692 391 HA2 GLY 83 HA1 GLY 83 7.010 -9.758 5.581 392 HA3 GLY 83 HA2 GLY 83 6.970 -10.429 7.199 393 H GLU 84 HN GLU 84 7.288 -12.485 5.819 394 HA GLU 84 HA GLU 84 4.944 -13.346 4.436 395 HB2 GLU 84 HB2 GLU 84 6.244 -15.366 3.942 396 HB3 GLU 84 HB3 GLU 84 7.221 -13.943 3.641 397 HG2 GLU 84 HG2 GLU 84 8.794 -14.835 5.011 398 HG3 GLU 84 HG3 GLU 84 7.711 -14.518 6.353 399 HE2 GLU 84 HE2 GLU 84 8.704 -17.737 6.636 400 H ALA 85 HN ALA 85 5.366 -12.863 7.591 401 HA ALA 85 HA ALA 85 4.824 -15.405 8.722 402 HB1 ALA 85 HB1 ALA 85 3.905 -13.273 10.396 403 HB2 ALA 85 HB2 ALA 85 5.407 -14.218 10.536 404 HB3 ALA 85 HB3 ALA 85 5.384 -12.720 9.574 405 H MET 86 HN MET 86 2.849 -12.619 7.584 406 HA MET 86 HA MET 86 0.506 -14.292 8.075 407 HB2 MET 86 HB2 MET 86 0.791 -11.995 9.295 408 HB3 MET 86 HB3 MET 86 0.554 -11.250 7.727 409 HG2 MET 86 HG2 MET 86 -1.685 -12.121 7.527 410 HG3 MET 86 HG3 MET 86 -1.443 -13.269 8.829 411 HE1 MET 86 HE1 MET 86 -1.352 -11.134 12.003 412 HE2 MET 86 HE2 MET 86 -0.955 -12.674 11.203 413 HE3 MET 86 HE3 MET 86 0.143 -11.280 11.049 414 H ILE 87 HN ILE 87 1.853 -11.716 5.890 415 HA ILE 87 HA ILE 87 0.322 -12.976 3.721 416 HB ILE 87 HB ILE 87 1.110 -10.075 4.007 417 HG12 ILE 87 HG1 ILE 87 -1.374 -11.577 4.737 418 HG13 ILE 87 HG1 ILE 87 -0.571 -10.265 5.576 419 HG22 ILE 87 HG2 ILE 87 0.758 -11.372 1.680 420 HG22 ILE 87 HG2 ILE 87 -0.934 -10.961 2.047 421 HG22 ILE 87 HG2 ILE 87 0.291 -9.674 1.938 422 HD11 ILE 87 HD1 ILE 87 -2.533 -10.160 3.319 423 HD11 ILE 87 HD1 ILE 87 -2.315 -9.046 4.689 424 HD11 ILE 87 HD1 ILE 87 -1.224 -8.954 3.286 425 HA PRO 88 HA PRO 88 4.414 -13.947 2.318 426 HB2 PRO 88 HB2 PRO 88 3.615 -15.471 0.192 427 HB3 PRO 88 HB3 PRO 88 3.447 -16.030 1.888 428 HG2 PRO 88 HG2 PRO 88 1.561 -14.784 0.169 429 HG3 PRO 88 HG3 PRO 88 1.148 -16.238 1.135 430 HD2 PRO 88 HD2 PRO 88 0.353 -13.795 1.957 431 HD3 PRO 88 HD3 PRO 88 1.039 -14.937 3.152 432 HA PRO 89 HA PRO 89 5.280 -10.621 -0.429 433 HB2 PRO 89 HB2 PRO 89 6.982 -12.723 -1.809 434 HB3 PRO 89 HB3 PRO 89 7.382 -11.053 -1.291 435 HG2 PRO 89 HG2 PRO 89 8.184 -13.224 0.308 436 HG3 PRO 89 HG3 PRO 89 7.646 -11.547 0.644 437 HD2 PRO 89 HD2 PRO 89 6.168 -14.194 0.956 438 HD3 PRO 89 HD3 PRO 89 6.134 -12.751 2.013 439 H ALA 90 HN ALA 90 4.770 -13.937 -1.887 440 HA ALA 90 HA ALA 90 4.060 -13.029 -4.407 441 HB1 ALA 90 HB1 ALA 90 4.608 -15.366 -3.833 442 HB2 ALA 90 HB2 ALA 90 3.113 -15.485 -2.875 443 HB3 ALA 90 HB3 ALA 90 3.024 -15.260 -4.638 444 H ASP 91 HN ASP 91 2.115 -13.503 -1.408 445 HA ASP 91 HA ASP 91 -0.322 -12.970 -2.665 446 HB2 ASP 91 HB2 ASP 91 0.681 -12.987 0.192 447 HB3 ASP 91 HB3 ASP 91 -0.921 -12.358 -0.138 448 HD2 ASP 91 HD2 ASP 91 0.637 -15.157 -1.575 449 H ALA 92 HN ALA 92 2.391 -11.018 -1.909 450 HA ALA 92 HA ALA 92 0.943 -8.628 -1.230 451 HB1 ALA 92 HB1 ALA 92 3.060 -7.695 -0.887 452 HB2 ALA 92 HB2 ALA 92 3.347 -9.414 -0.526 453 HB3 ALA 92 HB3 ALA 92 3.832 -8.742 -2.101 454 H LEU 93 HN LEU 93 2.475 -10.143 -4.100 455 HA LEU 93 HA LEU 93 2.318 -7.887 -5.753 456 HB2 LEU 93 HB2 LEU 93 2.366 -10.837 -6.399 457 HB3 LEU 93 HB3 LEU 93 2.540 -9.557 -7.583 458 HG LEU 93 HG LEU 93 4.412 -9.898 -5.228 459 HD11 LEU 93 HD1 LEU 93 4.155 -11.628 -7.436 460 HD11 LEU 93 HD1 LEU 93 5.596 -10.632 -7.748 461 HD11 LEU 93 HD1 LEU 93 5.470 -11.565 -6.238 462 HD22 LEU 93 HD2 LEU 93 4.123 -7.919 -7.343 463 HD22 LEU 93 HD2 LEU 93 5.104 -7.879 -5.858 464 HD22 LEU 93 HD2 LEU 93 5.744 -8.655 -7.327 465 H LYS 94 HN LYS 94 -0.126 -9.807 -4.319 466 HA LYS 94 HA LYS 94 -2.000 -9.408 -6.493 467 HB2 LYS 94 HB2 LYS 94 -2.163 -11.527 -5.453 468 HB3 LYS 94 HB3 LYS 94 -2.107 -10.845 -3.840 469 HG2 LYS 94 HG2 LYS 94 -4.309 -9.580 -5.151 470 HG3 LYS 94 HG3 LYS 94 -4.418 -11.281 -5.558 471 HD2 LYS 94 HD2 LYS 94 -3.945 -10.378 -2.691 472 HD3 LYS 94 HD3 LYS 94 -5.564 -10.471 -3.356 473 HE2 LYS 94 HE2 LYS 94 -5.200 -12.592 -2.303 474 HE3 LYS 94 HE3 LYS 94 -5.032 -12.902 -4.019 475 HZ1 LYS 94 HZ1 LYS 94 -3.205 -13.744 -2.401 476 HZ2 LYS 94 HZ2 LYS 94 -2.732 -13.098 -3.819 477 H ILE 95 HN ILE 95 -1.080 -8.046 -3.337 478 HA ILE 95 HA ILE 95 -3.435 -6.511 -3.017 479 HB ILE 95 HB ILE 95 -0.685 -6.110 -1.837 480 HG12 ILE 95 HG1 ILE 95 -1.648 -8.414 -1.523 481 HG13 ILE 95 HG1 ILE 95 -1.303 -7.534 -0.047 482 HG22 ILE 95 HG2 ILE 95 -2.241 -5.184 0.062 483 HG22 ILE 95 HG2 ILE 95 -1.779 -4.157 -1.316 484 HG22 ILE 95 HG2 ILE 95 -3.382 -4.930 -1.280 485 HD11 ILE 95 HD1 ILE 95 -3.961 -6.808 -0.730 486 HD11 ILE 95 HD1 ILE 95 -3.851 -8.563 -1.009 487 HD11 ILE 95 HD1 ILE 95 -3.446 -7.889 0.588 488 H GLY 96 HN GLY 96 -0.131 -5.826 -4.327 489 HA2 GLY 96 HA1 GLY 96 -0.270 -3.167 -4.825 490 HA3 GLY 96 HA2 GLY 96 0.510 -4.323 -5.886 491 H GLU 97 HN GLU 97 -2.147 -5.758 -6.384 492 HA GLU 97 HA GLU 97 -2.811 -4.330 -8.681 493 HB2 GLU 97 HB2 GLU 97 -4.556 -6.441 -7.361 494 HB3 GLU 97 HB3 GLU 97 -4.437 -6.064 -9.068 495 HG2 GLU 97 HG2 GLU 97 -1.913 -6.721 -8.840 496 HG3 GLU 97 HG3 GLU 97 -2.372 -7.439 -7.308 497 HE2 GLU 97 HE2 GLU 97 -2.111 -8.099 -10.495 498 H TYR 98 HN TYR 98 -4.468 -4.815 -5.551 499 HA TYR 98 HA TYR 98 -6.842 -3.461 -5.982 500 HB2 TYR 98 HB2 TYR 98 -6.101 -4.690 -3.915 501 HB3 TYR 98 HB3 TYR 98 -5.127 -3.273 -3.486 502 HD1 TYR 98 HD1 TYR 98 -6.054 -1.667 -2.096 503 HD2 TYR 98 HD2 TYR 98 -8.654 -4.166 -4.431 504 HE1 TYR 98 HE1 TYR 98 -8.027 -0.642 -0.997 505 HE2 TYR 98 HE2 TYR 98 -10.626 -3.141 -3.331 506 HH TYR 98 HH TYR 98 -10.424 -1.148 -0.542 507 H VAL 99 HN VAL 99 -3.546 -2.112 -5.702 508 HA VAL 99 HA VAL 99 -4.697 0.568 -5.566 509 HB VAL 99 HB VAL 99 -1.895 -0.516 -5.253 510 HG11 VAL 99 HG1 VAL 99 -2.849 2.230 -5.784 511 HG11 VAL 99 HG1 VAL 99 -1.752 2.072 -4.391 512 HG11 VAL 99 HG1 VAL 99 -1.235 1.509 -5.999 513 HG22 VAL 99 HG2 VAL 99 -3.722 0.867 -3.260 514 HG22 VAL 99 HG2 VAL 99 -3.465 -0.891 -3.362 515 HG22 VAL 99 HG2 VAL 99 -2.110 0.184 -2.939 516 H VAL 100 HN VAL 100 -5.137 -1.062 -7.937 517 HA VAL 100 HA VAL 100 -3.845 0.717 -9.839 518 HB VAL 100 HB VAL 100 -3.684 -2.299 -9.907 519 HG11 VAL 100 HG1 VAL 100 -2.358 -1.624 -12.125 520 HG11 VAL 100 HG1 VAL 100 -4.105 -1.964 -12.130 521 HG11 VAL 100 HG1 VAL 100 -3.525 -0.281 -12.104 522 HG22 VAL 100 HG2 VAL 100 -1.303 -1.992 -9.939 523 HG22 VAL 100 HG2 VAL 100 -1.475 -0.228 -10.106 524 HG22 VAL 100 HG2 VAL 100 -1.956 -1.031 -8.591 525 H ALA 101 HN ALA 101 -6.573 0.045 -8.489 526 HA ALA 101 HA ALA 101 -8.033 -0.094 -11.031 527 HB1 ALA 101 HB1 ALA 101 -8.044 -2.012 -8.886 528 HB2 ALA 101 HB2 ALA 101 -9.633 -1.211 -8.945 529 HB3 ALA 101 HB3 ALA 101 -8.990 -2.021 -10.393 530 H SER 102 HN SER 102 -7.084 2.244 -9.601 531 HA SER 102 HA SER 102 -9.520 3.601 -9.435 532 HB2 SER 102 HB2 SER 102 -9.307 4.326 -7.014 533 HB3 SER 102 HB3 SER 102 -9.796 2.658 -7.239 534 HG SER 102 HG SER 102 -7.833 1.924 -6.545 535 H PHE 103 HN PHE 103 -6.038 3.401 -8.542 536 HA PHE 103 HA PHE 103 -5.548 5.850 -9.938 537 HB2 PHE 103 HB2 PHE 103 -4.271 6.513 -7.609 538 HB3 PHE 103 HB3 PHE 103 -5.912 7.032 -7.938 539 HD1 PHE 103 HD1 PHE 103 -4.508 3.750 -6.834 540 HD2 PHE 103 HD2 PHE 103 -7.114 6.985 -5.973 541 HE1 PHE 103 HE1 PHE 103 -5.297 2.563 -4.768 542 HE2 PHE 103 HE2 PHE 103 -7.904 5.799 -3.907 543 HZ PHE 103 HZ PHE 103 -6.986 3.602 -3.329 544 HA PRO 104 HA PRO 104 -2.429 2.411 -10.250 545 HB2 PRO 104 HB2 PRO 104 -2.222 3.973 -12.849 546 HB3 PRO 104 HB3 PRO 104 -2.152 2.207 -12.540 547 HG2 PRO 104 HG2 PRO 104 -4.506 3.259 -13.465 548 HG3 PRO 104 HG3 PRO 104 -4.485 1.990 -12.197 549 HD2 PRO 104 HD2 PRO 104 -4.775 5.022 -11.948 550 HD3 PRO 104 HD3 PRO 104 -5.666 3.732 -11.085 Start of MODEL 9 1 H ALA 25 HN ALA 25 -9.995 -7.330 -6.959 2 HA ALA 25 HA ALA 25 -12.080 -8.016 -5.184 3 HB1 ALA 25 HB1 ALA 25 -12.684 -8.597 -7.836 4 HB2 ALA 25 HB2 ALA 25 -12.024 -10.131 -7.222 5 HB3 ALA 25 HB3 ALA 25 -13.411 -9.370 -6.407 6 H GLY 26 HN GLY 26 -11.318 -9.529 -3.707 7 HA2 GLY 26 HA1 GLY 26 -9.987 -11.267 -2.974 8 HA3 GLY 26 HA2 GLY 26 -9.009 -11.160 -4.425 9 H GLY 27 HN GLY 27 -7.503 -9.269 -4.658 10 HA2 GLY 27 HA1 GLY 27 -5.827 -8.952 -2.507 11 HA3 GLY 27 HA2 GLY 27 -5.931 -7.863 -3.876 12 H GLY 28 HN GLY 28 -8.872 -7.270 -3.252 13 HA2 GLY 28 HA1 GLY 28 -8.419 -4.984 -1.628 14 HA3 GLY 28 HA2 GLY 28 -9.953 -5.569 -2.242 15 H GLU 29 HN GLU 29 -10.093 -8.164 -1.116 16 HA GLU 29 HA GLU 29 -11.134 -7.615 1.341 17 HB2 GLU 29 HB2 GLU 29 -11.649 -9.636 -0.003 18 HB3 GLU 29 HB3 GLU 29 -10.042 -10.266 0.299 19 HG2 GLU 29 HG2 GLU 29 -11.439 -11.353 1.905 20 HG3 GLU 29 HG3 GLU 29 -10.582 -10.123 2.813 21 HE2 GLU 29 HE2 GLU 29 -11.785 -8.812 3.896 22 H LEU 30 HN LEU 30 -7.799 -8.029 0.394 23 HA LEU 30 HA LEU 30 -6.954 -8.657 3.096 24 HB2 LEU 30 HB2 LEU 30 -5.319 -8.188 0.601 25 HB3 LEU 30 HB3 LEU 30 -4.736 -8.816 2.130 26 HG LEU 30 HG LEU 30 -6.566 -10.163 0.139 27 HD11 LEU 30 HD1 LEU 30 -4.808 -11.427 -0.435 28 HD11 LEU 30 HD1 LEU 30 -3.837 -10.137 0.314 29 HD11 LEU 30 HD1 LEU 30 -4.248 -11.596 1.247 30 HD22 LEU 30 HD2 LEU 30 -6.384 -10.579 3.050 31 HD22 LEU 30 HD2 LEU 30 -7.651 -11.048 1.891 32 HD22 LEU 30 HD2 LEU 30 -6.193 -12.052 2.069 33 H PHE 31 HN PHE 31 -6.842 -5.980 0.684 34 HA PHE 31 HA PHE 31 -5.332 -4.279 2.363 35 HB2 PHE 31 HB2 PHE 31 -5.410 -3.968 -0.070 36 HB3 PHE 31 HB3 PHE 31 -7.162 -3.996 -0.081 37 HD1 PHE 31 HD1 PHE 31 -4.325 -1.926 -0.151 38 HD2 PHE 31 HD2 PHE 31 -8.317 -2.059 1.281 39 HE1 PHE 31 HE1 PHE 31 -4.366 0.581 -0.030 40 HE2 PHE 31 HE2 PHE 31 -8.358 0.447 1.403 41 HZ PHE 31 HZ PHE 31 -6.382 1.738 0.746 42 H ALA 32 HN ALA 32 -8.695 -5.229 2.253 43 HA ALA 32 HA ALA 32 -9.520 -2.828 3.687 44 HB1 ALA 32 HB1 ALA 32 -11.719 -4.488 3.481 45 HB2 ALA 32 HB2 ALA 32 -11.275 -3.223 2.310 46 HB3 ALA 32 HB3 ALA 32 -10.788 -4.911 2.023 47 H THR 33 HN THR 33 -7.602 -4.292 5.089 48 HA THR 33 HA THR 33 -8.974 -4.813 7.491 49 HB THR 33 HB THR 33 -8.286 -7.148 5.687 50 HG1 THR 33 HG1 THR 33 -10.496 -6.725 5.970 51 HG22 THR 33 HG2 THR 33 -6.960 -7.535 7.797 52 HG22 THR 33 HG2 THR 33 -8.436 -7.238 8.747 53 HG22 THR 33 HG2 THR 33 -8.344 -8.648 7.664 54 H HIS 34 HN HIS 34 -6.056 -5.280 5.459 55 HA HIS 34 HA HIS 34 -4.463 -4.949 7.883 56 HB2 HIS 34 HB2 HIS 34 -3.572 -5.823 5.122 57 HB3 HIS 34 HB3 HIS 34 -2.603 -5.819 6.582 58 HD1 HIS 34 HD1 HIS 34 -3.313 -7.588 8.486 59 HD2 HIS 34 HD2 HIS 34 -5.136 -8.085 4.741 60 HE1 HIS 34 HE1 HIS 34 -4.298 -9.942 8.476 61 H CYS 35 HN CYS 35 -5.898 -3.138 5.449 62 HA CYS 35 HA CYS 35 -3.837 -1.087 5.759 63 HB2 CYS 35 HB2 CYS 35 -5.367 -1.362 3.189 64 HB3 CYS 35 HB3 CYS 35 -3.903 -0.456 3.512 65 H ALA 36 HN ALA 36 -7.238 -1.962 4.857 66 HA ALA 36 HA ALA 36 -8.486 0.391 4.788 67 HB1 ALA 36 HB1 ALA 36 -9.150 -2.347 5.585 68 HB2 ALA 36 HB2 ALA 36 -10.162 -1.143 6.417 69 HB3 ALA 36 HB3 ALA 36 -10.099 -1.176 4.639 70 H GLY 37 HN GLY 37 -7.100 -1.182 7.691 71 HA2 GLY 37 HA1 GLY 37 -8.218 0.770 9.499 72 HA3 GLY 37 HA2 GLY 37 -7.090 -0.519 9.870 73 H CYS 38 HN CYS 38 -6.916 2.214 7.480 74 HA CYS 38 HA CYS 38 -5.326 3.909 8.849 75 HB2 CYS 38 HB2 CYS 38 -3.808 1.520 8.167 76 HB3 CYS 38 HB3 CYS 38 -3.115 2.942 7.414 77 H HIS 39 HN HIS 39 -6.033 2.124 5.846 78 HA HIS 39 HA HIS 39 -5.693 4.641 4.381 79 HB2 HIS 39 HB2 HIS 39 -5.213 1.781 3.540 80 HB3 HIS 39 HB3 HIS 39 -5.485 3.050 2.361 81 HD1 HIS 39 HD1 HIS 39 -3.759 5.267 2.816 82 HD2 HIS 39 HD2 HIS 39 -2.570 1.459 4.114 83 HE1 HIS 39 HE1 HIS 39 -1.226 5.369 3.108 84 HA PRO 40 HA PRO 40 -10.168 3.334 4.546 85 HB2 PRO 40 HB2 PRO 40 -11.159 5.542 5.770 86 HB3 PRO 40 HB3 PRO 40 -10.337 4.250 6.704 87 HG2 PRO 40 HG2 PRO 40 -8.873 6.929 5.690 88 HG3 PRO 40 HG3 PRO 40 -9.121 6.164 7.293 89 HD2 PRO 40 HD2 PRO 40 -6.947 5.630 5.649 90 HD3 PRO 40 HD3 PRO 40 -7.639 4.413 6.764 91 H GLN 41 HN GLN 41 -11.207 3.671 2.582 92 HA GLN 41 HA GLN 41 -11.606 4.550 0.622 93 HB2 GLN 41 HB2 GLN 41 -12.634 6.810 0.660 94 HB3 GLN 41 HB3 GLN 41 -13.200 5.820 1.991 95 HG2 GLN 41 HG2 GLN 41 -11.723 6.943 3.568 96 HG3 GLN 41 HG3 GLN 41 -10.867 7.764 2.278 97 HE21 GLN 41 HE2 GLN 41 -12.450 8.959 0.718 98 HE21 GLN 41 HE2 GLN 41 -13.600 10.008 1.479 99 H GLY 42 HN GLY 42 -8.897 4.259 0.845 100 HA2 GLY 42 HA1 GLY 42 -6.928 4.954 0.015 101 HA3 GLY 42 HA2 GLY 42 -7.854 5.977 -1.064 102 H GLY 43 HN GLY 43 -8.164 6.345 2.458 103 HA2 GLY 43 HA1 GLY 43 -6.909 8.996 2.223 104 HA3 GLY 43 HA2 GLY 43 -8.067 8.486 3.435 105 H ASN 44 HN ASN 44 -6.545 9.293 5.079 106 HA ASN 44 HA ASN 44 -4.703 7.201 5.783 107 HB2 ASN 44 HB2 ASN 44 -3.869 10.133 5.469 108 HB3 ASN 44 HB3 ASN 44 -2.897 8.937 6.304 109 HD21 ASN 44 HD2 ASN 44 -1.367 8.048 5.166 110 HD21 ASN 44 HD2 ASN 44 -1.337 7.790 3.453 111 H THR 45 HN THR 45 -4.401 7.129 8.112 112 HA THR 45 HA THR 45 -6.101 9.033 9.582 113 HB THR 45 HB THR 45 -6.052 7.040 11.277 114 HG1 THR 45 HG1 THR 45 -4.575 5.582 10.471 115 HG22 THR 45 HG2 THR 45 -7.867 5.912 10.200 116 HG22 THR 45 HG2 THR 45 -7.958 7.565 9.547 117 HG22 THR 45 HG2 THR 45 -7.229 6.263 8.576 118 H VAL 46 HN VAL 46 -2.901 8.385 8.800 119 HA VAL 46 HA VAL 46 -2.007 9.393 11.411 120 HB VAL 46 HB VAL 46 -0.564 7.775 9.304 121 HG11 VAL 46 HG1 VAL 46 1.354 7.760 10.800 122 HG11 VAL 46 HG1 VAL 46 0.919 9.438 10.393 123 HG11 VAL 46 HG1 VAL 46 0.477 8.764 11.980 124 HG22 VAL 46 HG2 VAL 46 -1.288 5.973 10.397 125 HG22 VAL 46 HG2 VAL 46 -0.543 6.574 11.898 126 HG22 VAL 46 HG2 VAL 46 -2.222 7.013 11.500 127 H HIS 47 HN HIS 47 -1.248 9.505 7.855 128 HA HIS 47 HA HIS 47 -0.511 12.308 8.294 129 HB2 HIS 47 HB2 HIS 47 0.634 10.239 6.412 130 HB3 HIS 47 HB3 HIS 47 0.900 11.956 6.189 131 HD1 HIS 47 HD1 HIS 47 3.473 10.833 6.561 132 HD2 HIS 47 HD2 HIS 47 1.017 11.408 9.912 133 HE1 HIS 47 HE1 HIS 47 5.019 10.824 8.591 134 HA PRO 48 HA PRO 48 -4.088 12.784 5.655 135 HB2 PRO 48 HB2 PRO 48 -4.747 15.271 6.408 136 HB3 PRO 48 HB3 PRO 48 -4.863 13.924 7.588 137 HG2 PRO 48 HG2 PRO 48 -2.750 15.674 7.066 138 HG3 PRO 48 HG3 PRO 48 -3.186 15.573 8.803 139 HD2 PRO 48 HD2 PRO 48 -1.075 14.202 8.005 140 HD3 PRO 48 HD3 PRO 48 -2.320 13.288 8.908 141 H GLU 49 HN GLU 49 -0.976 13.444 5.113 142 HA GLU 49 HA GLU 49 -1.649 15.266 2.942 143 HB2 GLU 49 HB2 GLU 49 0.587 16.330 3.198 144 HB3 GLU 49 HB3 GLU 49 -0.414 16.554 4.619 145 HG2 GLU 49 HG2 GLU 49 0.845 15.060 5.924 146 HG3 GLU 49 HG3 GLU 49 1.402 14.145 4.536 147 HE2 GLU 49 HE2 GLU 49 3.429 14.546 5.669 148 H LYS 50 HN LYS 50 -0.895 12.181 3.724 149 HA LYS 50 HA LYS 50 0.706 11.843 1.288 150 HB2 LYS 50 HB2 LYS 50 1.022 10.160 3.785 151 HB3 LYS 50 HB3 LYS 50 1.996 10.109 2.330 152 HG2 LYS 50 HG2 LYS 50 2.035 12.830 3.197 153 HG3 LYS 50 HG3 LYS 50 2.254 11.865 4.643 154 HD2 LYS 50 HD2 LYS 50 4.371 11.289 4.043 155 HD3 LYS 50 HD3 LYS 50 3.850 10.769 2.452 156 HE2 LYS 50 HE2 LYS 50 3.694 13.367 1.940 157 HE3 LYS 50 HE3 LYS 50 4.738 13.530 3.338 158 HZ1 LYS 50 HZ1 LYS 50 5.531 11.535 1.356 159 HZ2 LYS 50 HZ2 LYS 50 5.703 13.093 0.916 160 H THR 51 HN THR 51 -1.518 11.701 0.340 161 HA THR 51 HA THR 51 -3.034 9.352 1.110 162 HB THR 51 HB THR 51 -4.730 10.323 -0.283 163 HG1 THR 51 HG1 THR 51 -2.363 11.650 -1.390 164 HG22 THR 51 HG2 THR 51 -4.920 12.581 0.430 165 HG22 THR 51 HG2 THR 51 -3.860 11.883 1.677 166 HG22 THR 51 HG2 THR 51 -3.162 12.848 0.354 167 H LEU 52 HN LEU 52 -4.011 8.229 -1.092 168 HA LEU 52 HA LEU 52 -1.627 6.997 -2.206 169 HB2 LEU 52 HB2 LEU 52 -4.546 6.223 -2.256 170 HB3 LEU 52 HB3 LEU 52 -3.272 5.321 -3.052 171 HG LEU 52 HG LEU 52 -3.506 5.810 -0.070 172 HD11 LEU 52 HD1 LEU 52 -4.362 3.701 0.187 173 HD11 LEU 52 HD1 LEU 52 -5.084 4.152 -1.376 174 HD11 LEU 52 HD1 LEU 52 -3.649 3.100 -1.329 175 HD22 LEU 52 HD2 LEU 52 -1.251 4.993 -1.711 176 HD22 LEU 52 HD2 LEU 52 -1.319 5.418 0.016 177 HD22 LEU 52 HD2 LEU 52 -1.679 3.755 -0.506 178 H ALA 53 HN ALA 53 -2.821 9.787 -2.896 179 HA ALA 53 HA ALA 53 -3.828 9.554 -5.526 180 HB1 ALA 53 HB1 ALA 53 -3.004 12.082 -5.456 181 HB2 ALA 53 HB2 ALA 53 -4.412 11.549 -4.506 182 HB3 ALA 53 HB3 ALA 53 -2.827 11.736 -3.719 183 H ARG 54 HN ARG 54 -2.784 9.337 -7.461 184 HA ARG 54 HA ARG 54 -0.260 8.430 -7.594 185 HB2 ARG 54 HB2 ARG 54 -1.876 8.305 -9.467 186 HB3 ARG 54 HB3 ARG 54 -1.800 10.041 -9.691 187 HG2 ARG 54 HG2 ARG 54 0.809 9.611 -9.981 188 HG3 ARG 54 HG3 ARG 54 0.315 7.961 -10.306 189 HD2 ARG 54 HD2 ARG 54 -0.370 8.509 -12.403 190 HD3 ARG 54 HD3 ARG 54 -1.407 9.782 -11.790 191 HE ARG 54 HE ARG 54 1.293 10.102 -12.872 192 H ALA 55 HN ALA 55 -1.387 11.837 -8.199 193 HA ALA 55 HA ALA 55 0.903 13.054 -8.889 194 HB1 ALA 55 HB1 ALA 55 -0.132 15.037 -8.222 195 HB2 ALA 55 HB2 ALA 55 -1.521 13.933 -8.367 196 HB3 ALA 55 HB3 ALA 55 -0.839 14.299 -6.764 197 H ARG 56 HN ARG 56 0.068 11.679 -5.716 198 HA ARG 56 HA ARG 56 2.429 12.870 -4.579 199 HB2 ARG 56 HB2 ARG 56 -0.050 11.570 -3.552 200 HB3 ARG 56 HB3 ARG 56 1.388 11.181 -2.631 201 HG2 ARG 56 HG2 ARG 56 0.426 13.173 -1.645 202 HG3 ARG 56 HG3 ARG 56 1.895 13.661 -2.466 203 HD2 ARG 56 HD2 ARG 56 0.642 14.532 -4.369 204 HD3 ARG 56 HD3 ARG 56 -0.851 13.820 -3.790 205 HE ARG 56 HE ARG 56 0.272 16.341 -2.945 206 H ARG 57 HN ARG 57 0.950 9.590 -5.116 207 HA ARG 57 HA ARG 57 3.053 8.132 -4.165 208 HB2 ARG 57 HB2 ARG 57 0.724 7.668 -5.960 209 HB3 ARG 57 HB3 ARG 57 2.047 6.550 -6.227 210 HG2 ARG 57 HG2 ARG 57 1.993 6.470 -3.512 211 HG3 ARG 57 HG3 ARG 57 0.320 6.908 -3.792 212 HD2 ARG 57 HD2 ARG 57 1.387 4.702 -5.518 213 HD3 ARG 57 HD3 ARG 57 1.230 4.324 -3.814 214 HE ARG 57 HE ARG 57 -1.114 4.449 -4.005 215 H GLU 58 HN GLU 58 2.875 10.157 -6.955 216 HA GLU 58 HA GLU 58 4.772 8.659 -8.480 217 HB2 GLU 58 HB2 GLU 58 4.278 10.107 -10.210 218 HB3 GLU 58 HB3 GLU 58 2.823 10.318 -9.256 219 HG2 GLU 58 HG2 GLU 58 3.773 12.335 -8.181 220 HG3 GLU 58 HG3 GLU 58 5.294 12.099 -9.018 221 HE2 GLU 58 HE2 GLU 58 2.408 14.132 -10.421 222 H ALA 59 HN ALA 59 4.678 11.775 -6.628 223 HA ALA 59 HA ALA 59 7.198 12.679 -7.098 224 HB1 ALA 59 HB1 ALA 59 6.334 14.204 -5.693 225 HB2 ALA 59 HB2 ALA 59 5.089 13.052 -5.152 226 HB3 ALA 59 HB3 ALA 59 6.673 13.098 -4.340 227 H ASN 60 HN ASN 60 6.130 10.096 -4.823 228 HA ASN 60 HA ASN 60 8.747 9.775 -3.794 229 HB2 ASN 60 HB2 ASN 60 6.110 8.289 -3.556 230 HB3 ASN 60 HB3 ASN 60 7.571 7.503 -2.990 231 HD21 ASN 60 HD2 ASN 60 6.501 10.899 -2.978 232 HD21 ASN 60 HD2 ASN 60 6.622 11.163 -1.270 233 H GLY 61 HN GLY 61 6.792 8.536 -6.477 234 HA2 GLY 61 HA1 GLY 61 7.605 7.447 -8.336 235 HA3 GLY 61 HA2 GLY 61 9.071 7.023 -7.474 236 H ILE 62 HN ILE 62 5.516 6.484 -6.885 237 HA ILE 62 HA ILE 62 6.156 3.625 -6.649 238 HB ILE 62 HB ILE 62 4.385 5.365 -4.950 239 HG12 ILE 62 HG1 ILE 62 6.763 3.575 -4.430 240 HG13 ILE 62 HG1 ILE 62 6.619 5.298 -4.146 241 HG22 ILE 62 HG2 ILE 62 4.214 2.684 -4.064 242 HG22 ILE 62 HG2 ILE 62 2.916 3.725 -4.696 243 HG22 ILE 62 HG2 ILE 62 3.839 2.681 -5.804 244 HD11 ILE 62 HD1 ILE 62 6.017 4.785 -2.020 245 HD11 ILE 62 HD1 ILE 62 4.475 4.201 -2.688 246 HD11 ILE 62 HD1 ILE 62 5.818 3.063 -2.427 247 H ARG 63 HN ARG 63 5.725 4.092 -9.120 248 HA ARG 63 HA ARG 63 2.846 3.938 -9.507 249 HB2 ARG 63 HB2 ARG 63 4.781 4.467 -11.777 250 HB3 ARG 63 HB3 ARG 63 3.110 4.971 -11.623 251 HG2 ARG 63 HG2 ARG 63 4.200 6.269 -9.462 252 HG3 ARG 63 HG3 ARG 63 5.587 6.245 -10.533 253 HD2 ARG 63 HD2 ARG 63 3.007 7.015 -11.834 254 HD3 ARG 63 HD3 ARG 63 3.594 8.146 -10.631 255 HE ARG 63 HE ARG 63 5.427 8.669 -12.017 256 H THR 64 HN THR 64 3.718 1.577 -8.656 257 HA THR 64 HA THR 64 3.541 -0.105 -10.969 258 HB THR 64 HB THR 64 5.759 -1.305 -10.166 259 HG1 THR 64 HG1 THR 64 5.667 0.416 -8.320 260 HG22 THR 64 HG2 THR 64 6.414 1.404 -11.311 261 HG22 THR 64 HG2 THR 64 6.963 -0.205 -11.838 262 HG22 THR 64 HG2 THR 64 5.332 0.362 -12.267 263 H VAL 65 HN VAL 65 3.578 -2.493 -10.262 264 HA VAL 65 HA VAL 65 1.845 -2.636 -7.971 265 HB VAL 65 HB VAL 65 2.797 -4.568 -10.076 266 HG11 VAL 65 HG1 VAL 65 0.924 -5.223 -7.777 267 HG11 VAL 65 HG1 VAL 65 1.422 -6.307 -9.098 268 HG11 VAL 65 HG1 VAL 65 2.617 -5.760 -7.898 269 HG22 VAL 65 HG2 VAL 65 1.044 -2.864 -10.631 270 HG22 VAL 65 HG2 VAL 65 0.505 -4.551 -10.809 271 HG22 VAL 65 HG2 VAL 65 0.004 -3.602 -9.389 272 H ARG 66 HN ARG 66 4.997 -4.128 -8.999 273 HA ARG 66 HA ARG 66 5.551 -5.575 -6.854 274 HB2 ARG 66 HB2 ARG 66 7.314 -3.822 -8.594 275 HB3 ARG 66 HB3 ARG 66 8.037 -4.692 -7.256 276 HG2 ARG 66 HG2 ARG 66 6.907 -6.817 -8.193 277 HG3 ARG 66 HG3 ARG 66 6.525 -5.878 -9.623 278 HD2 ARG 66 HD2 ARG 66 8.819 -5.597 -10.211 279 HD3 ARG 66 HD3 ARG 66 9.380 -5.962 -8.592 280 HE ARG 66 HE ARG 66 8.577 -7.915 -10.656 281 H ASP 67 HN ASP 67 6.654 -2.112 -7.200 282 HA ASP 67 HA ASP 67 7.749 -1.612 -4.902 283 HB2 ASP 67 HB2 ASP 67 5.654 -0.003 -6.395 284 HB3 ASP 67 HB3 ASP 67 6.353 0.641 -4.923 285 HD2 ASP 67 HD2 ASP 67 8.767 2.064 -6.304 286 H VAL 68 HN VAL 68 4.189 -1.955 -5.451 287 HA VAL 68 HA VAL 68 3.613 -1.497 -2.662 288 HB VAL 68 HB VAL 68 1.864 -2.312 -4.992 289 HG11 VAL 68 HG1 VAL 68 1.265 -1.613 -2.122 290 HG11 VAL 68 HG1 VAL 68 0.074 -1.285 -3.404 291 HG11 VAL 68 HG1 VAL 68 0.637 -2.949 -3.116 292 HG22 VAL 68 HG2 VAL 68 1.107 0.137 -4.749 293 HG22 VAL 68 HG2 VAL 68 2.612 0.375 -3.829 294 HG22 VAL 68 HG2 VAL 68 2.681 -0.171 -5.521 295 H ALA 69 HN ALA 69 5.429 -3.496 -2.666 296 HA ALA 69 HA ALA 69 3.930 -5.646 -1.566 297 HB1 ALA 69 HB1 ALA 69 5.588 -6.949 -3.510 298 HB2 ALA 69 HB2 ALA 69 3.818 -7.027 -3.332 299 HB3 ALA 69 HB3 ALA 69 4.555 -5.774 -4.359 300 H ALA 70 HN ALA 70 7.051 -4.412 -2.889 301 HA ALA 70 HA ALA 70 8.593 -5.999 -1.080 302 HB1 ALA 70 HB1 ALA 70 9.042 -3.995 -3.240 303 HB2 ALA 70 HB2 ALA 70 10.309 -4.106 -1.994 304 HB3 ALA 70 HB3 ALA 70 9.855 -5.549 -2.933 305 H TYR 71 HN TYR 71 8.194 -2.456 -1.488 306 HA TYR 71 HA TYR 71 9.346 -1.570 0.845 307 HB2 TYR 71 HB2 TYR 71 7.297 -0.619 -1.028 308 HB3 TYR 71 HB3 TYR 71 7.100 0.040 0.605 309 HD1 TYR 71 HD1 TYR 71 7.992 2.157 0.813 310 HD2 TYR 71 HD2 TYR 71 10.050 -0.739 -1.601 311 HE1 TYR 71 HE1 TYR 71 9.789 3.807 0.365 312 HE2 TYR 71 HE2 TYR 71 11.847 0.910 -2.049 313 HH TYR 71 HH TYR 71 12.550 3.074 -1.779 314 H ILE 72 HN ILE 72 5.802 -2.427 0.485 315 HA ILE 72 HA ILE 72 4.983 -2.000 2.998 316 HB ILE 72 HB ILE 72 3.408 -3.880 2.663 317 HG12 ILE 72 HG1 ILE 72 4.539 -4.382 -0.060 318 HG13 ILE 72 HG1 ILE 72 5.313 -5.160 1.306 319 HG22 ILE 72 HG2 ILE 72 2.470 -2.030 1.761 320 HG22 ILE 72 HG2 ILE 72 3.874 -1.679 0.725 321 HG22 ILE 72 HG2 ILE 72 2.708 -2.936 0.248 322 HD11 ILE 72 HD1 ILE 72 2.298 -5.265 0.907 323 HD11 ILE 72 HD1 ILE 72 3.397 -6.460 0.176 324 HD11 ILE 72 HD1 ILE 72 3.304 -6.301 1.947 325 H ARG 73 HN ARG 73 7.108 -4.644 1.864 326 HA ARG 73 HA ARG 73 6.961 -6.231 4.081 327 HB2 ARG 73 HB2 ARG 73 8.175 -6.656 1.844 328 HB3 ARG 73 HB3 ARG 73 9.506 -5.706 2.473 329 HG2 ARG 73 HG2 ARG 73 10.263 -7.448 3.719 330 HG3 ARG 73 HG3 ARG 73 8.690 -7.683 4.456 331 HD2 ARG 73 HD2 ARG 73 7.978 -9.202 2.773 332 HD3 ARG 73 HD3 ARG 73 9.155 -8.624 1.610 333 HE ARG 73 HE ARG 73 10.316 -9.838 4.033 334 H ASN 74 HN ASN 74 9.627 -3.864 3.299 335 HA ASN 74 HA ASN 74 9.843 -3.431 6.174 336 HB2 ASN 74 HB2 ASN 74 11.774 -4.726 4.909 337 HB3 ASN 74 HB3 ASN 74 12.193 -3.155 4.255 338 HD21 ASN 74 HD2 ASN 74 11.313 -4.677 7.353 339 HD21 ASN 74 HD2 ASN 74 12.475 -3.856 8.341 340 HA PRO 75 HA PRO 75 9.091 0.552 3.902 341 HB2 PRO 75 HB2 PRO 75 6.859 1.321 5.278 342 HB3 PRO 75 HB3 PRO 75 6.794 0.117 3.950 343 HG2 PRO 75 HG2 PRO 75 6.820 -0.272 6.840 344 HG3 PRO 75 HG3 PRO 75 5.823 -1.168 5.648 345 HD2 PRO 75 HD2 PRO 75 8.183 -2.138 6.800 346 HD3 PRO 75 HD3 PRO 75 7.584 -2.646 5.192 347 H GLY 76 HN GLY 76 8.809 2.864 5.035 348 HA2 GLY 76 HA1 GLY 76 10.787 2.931 7.150 349 HA3 GLY 76 HA2 GLY 76 10.075 4.288 6.298 350 HA PRO 77 HA PRO 77 8.380 4.089 10.651 351 HB2 PRO 77 HB2 PRO 77 8.692 6.824 11.032 352 HB3 PRO 77 HB3 PRO 77 9.964 5.607 11.374 353 HG2 PRO 77 HG2 PRO 77 9.528 7.235 9.049 354 HG3 PRO 77 HG3 PRO 77 11.149 7.062 9.797 355 HD2 PRO 77 HD2 PRO 77 10.612 5.636 7.617 356 HD3 PRO 77 HD3 PRO 77 11.302 4.764 9.019 357 H GLY 78 HN GLY 78 6.277 4.982 11.359 358 HA2 GLY 78 HA1 GLY 78 4.372 6.274 11.019 359 HA3 GLY 78 HA2 GLY 78 4.850 6.579 9.361 360 H MET 79 HN MET 79 5.529 3.752 8.737 361 HA MET 79 HA MET 79 2.815 2.675 8.801 362 HB2 MET 79 HB2 MET 79 3.943 3.574 6.549 363 HB3 MET 79 HB3 MET 79 4.836 2.067 6.603 364 HG2 MET 79 HG2 MET 79 2.855 0.740 6.406 365 HG3 MET 79 HG3 MET 79 1.809 2.062 6.886 366 HE1 MET 79 HE1 MET 79 4.012 0.464 4.272 367 HE2 MET 79 HE2 MET 79 2.326 -0.001 3.945 368 HE3 MET 79 HE3 MET 79 3.227 0.970 2.757 369 HA PRO 80 HA PRO 80 4.475 -0.743 11.021 370 HB2 PRO 80 HB2 PRO 80 2.250 -2.216 9.610 371 HB3 PRO 80 HB3 PRO 80 2.622 -2.055 11.357 372 HG2 PRO 80 HG2 PRO 80 0.550 -0.651 10.233 373 HG3 PRO 80 HG3 PRO 80 1.667 -0.190 11.559 374 HD2 PRO 80 HD2 PRO 80 1.668 0.615 8.611 375 HD3 PRO 80 HD3 PRO 80 1.956 1.632 10.056 376 H ALA 81 HN ALA 81 3.871 -3.458 9.715 377 HA ALA 81 HA ALA 81 5.309 -3.328 7.228 378 HB1 ALA 81 HB1 ALA 81 7.104 -3.187 8.980 379 HB2 ALA 81 HB2 ALA 81 6.552 -4.756 9.612 380 HB3 ALA 81 HB3 ALA 81 7.213 -4.644 7.964 381 H PHE 82 HN PHE 82 5.421 -5.528 6.209 382 HA PHE 82 HA PHE 82 3.633 -7.456 7.459 383 HB2 PHE 82 HB2 PHE 82 3.444 -6.363 4.588 384 HB3 PHE 82 HB3 PHE 82 2.409 -7.611 5.251 385 HD1 PHE 82 HD1 PHE 82 0.647 -7.052 6.844 386 HD2 PHE 82 HD2 PHE 82 3.123 -4.033 5.183 387 HE1 PHE 82 HE1 PHE 82 -0.975 -5.299 7.614 388 HE2 PHE 82 HE2 PHE 82 1.501 -2.279 5.954 389 HZ PHE 82 HZ PHE 82 -0.529 -2.933 7.160 390 H GLY 83 HN GLY 83 5.091 -9.122 7.682 391 HA2 GLY 83 HA1 GLY 83 6.927 -9.684 5.470 392 HA3 GLY 83 HA2 GLY 83 6.990 -10.334 7.096 393 H GLU 84 HN GLU 84 7.299 -12.402 5.742 394 HA GLU 84 HA GLU 84 4.956 -13.354 4.441 395 HB2 GLU 84 HB2 GLU 84 6.276 -15.366 4.004 396 HB3 GLU 84 HB3 GLU 84 7.255 -13.949 3.681 397 HG2 GLU 84 HG2 GLU 84 8.660 -14.322 5.489 398 HG3 GLU 84 HG3 GLU 84 7.389 -15.012 6.479 399 HE2 GLU 84 HE2 GLU 84 7.793 -18.208 5.391 400 H ALA 85 HN ALA 85 5.483 -12.793 7.604 401 HA ALA 85 HA ALA 85 4.935 -15.278 8.818 402 HB1 ALA 85 HB1 ALA 85 4.056 -13.370 10.590 403 HB2 ALA 85 HB2 ALA 85 5.752 -13.880 10.410 404 HB3 ALA 85 HB3 ALA 85 5.166 -12.425 9.570 405 H MET 86 HN MET 86 2.909 -12.540 7.640 406 HA MET 86 HA MET 86 0.596 -14.237 8.182 407 HB2 MET 86 HB2 MET 86 0.848 -11.913 9.343 408 HB3 MET 86 HB3 MET 86 0.611 -11.203 7.758 409 HG2 MET 86 HG2 MET 86 -1.619 -12.125 7.566 410 HG3 MET 86 HG3 MET 86 -1.372 -13.203 8.925 411 HE1 MET 86 HE1 MET 86 -0.295 -12.288 10.990 412 HE2 MET 86 HE2 MET 86 -0.664 -10.726 11.758 413 HE3 MET 86 HE3 MET 86 -1.876 -12.030 11.766 414 H ILE 87 HN ILE 87 1.869 -11.688 5.921 415 HA ILE 87 HA ILE 87 0.348 -13.036 3.798 416 HB ILE 87 HB ILE 87 1.079 -10.114 4.017 417 HG12 ILE 87 HG1 ILE 87 -1.374 -11.656 4.767 418 HG13 ILE 87 HG1 ILE 87 -0.605 -10.307 5.580 419 HG22 ILE 87 HG2 ILE 87 -0.315 -9.813 2.043 420 HG22 ILE 87 HG2 ILE 87 1.024 -10.936 1.704 421 HG22 ILE 87 HG2 ILE 87 -0.619 -11.566 1.969 422 HD11 ILE 87 HD1 ILE 87 -2.662 -9.491 4.585 423 HD11 ILE 87 HD1 ILE 87 -1.310 -8.819 3.642 424 HD11 ILE 87 HD1 ILE 87 -2.239 -10.198 3.007 425 HA PRO 88 HA PRO 88 4.437 -13.974 2.372 426 HB2 PRO 88 HB2 PRO 88 3.666 -15.542 0.282 427 HB3 PRO 88 HB3 PRO 88 3.461 -16.069 1.985 428 HG2 PRO 88 HG2 PRO 88 1.794 -14.754 0.276 429 HG3 PRO 88 HG3 PRO 88 1.022 -16.177 1.049 430 HD2 PRO 88 HD2 PRO 88 0.366 -13.872 2.066 431 HD3 PRO 88 HD3 PRO 88 1.102 -15.010 3.235 432 HA PRO 89 HA PRO 89 5.226 -10.641 -0.396 433 HB2 PRO 89 HB2 PRO 89 7.007 -12.710 -1.727 434 HB3 PRO 89 HB3 PRO 89 7.351 -11.022 -1.225 435 HG2 PRO 89 HG2 PRO 89 8.184 -13.167 0.376 436 HG3 PRO 89 HG3 PRO 89 7.634 -11.499 0.741 437 HD2 PRO 89 HD2 PRO 89 6.204 -14.164 1.059 438 HD3 PRO 89 HD3 PRO 89 6.115 -12.702 2.087 439 H ALA 90 HN ALA 90 4.814 -13.993 -1.798 440 HA ALA 90 HA ALA 90 4.104 -13.130 -4.343 441 HB1 ALA 90 HB1 ALA 90 3.913 -15.356 -4.707 442 HB2 ALA 90 HB2 ALA 90 4.500 -15.535 -3.036 443 HB3 ALA 90 HB3 ALA 90 2.753 -15.566 -3.375 444 H ASP 91 HN ASP 91 2.163 -13.663 -1.352 445 HA ASP 91 HA ASP 91 -0.277 -13.189 -2.665 446 HB2 ASP 91 HB2 ASP 91 0.585 -13.169 0.257 447 HB3 ASP 91 HB3 ASP 91 -1.070 -12.837 -0.214 448 HD2 ASP 91 HD2 ASP 91 -1.610 -14.663 0.974 449 H ALA 92 HN ALA 92 2.345 -11.189 -1.948 450 HA ALA 92 HA ALA 92 0.789 -8.876 -1.146 451 HB1 ALA 92 HB1 ALA 92 3.474 -9.795 -0.835 452 HB2 ALA 92 HB2 ALA 92 3.534 -8.287 -1.778 453 HB3 ALA 92 HB3 ALA 92 2.738 -8.309 -0.187 454 H LEU 93 HN LEU 93 2.392 -10.314 -3.990 455 HA LEU 93 HA LEU 93 2.382 -8.002 -5.576 456 HB2 LEU 93 HB2 LEU 93 2.424 -10.947 -6.220 457 HB3 LEU 93 HB3 LEU 93 2.515 -9.704 -7.451 458 HG LEU 93 HG LEU 93 4.481 -9.897 -5.158 459 HD11 LEU 93 HD1 LEU 93 5.869 -10.725 -7.365 460 HD11 LEU 93 HD1 LEU 93 5.189 -11.794 -6.114 461 HD11 LEU 93 HD1 LEU 93 4.285 -11.495 -7.618 462 HD22 LEU 93 HD2 LEU 93 5.741 -8.704 -7.291 463 HD22 LEU 93 HD2 LEU 93 4.086 -8.059 -7.406 464 HD22 LEU 93 HD2 LEU 93 5.016 -7.860 -5.902 465 H LYS 94 HN LYS 94 -0.171 -9.953 -4.334 466 HA LYS 94 HA LYS 94 -1.952 -9.364 -6.539 467 HB2 LYS 94 HB2 LYS 94 -3.506 -10.787 -5.448 468 HB3 LYS 94 HB3 LYS 94 -1.941 -11.566 -5.330 469 HG2 LYS 94 HG2 LYS 94 -2.115 -11.603 -3.073 470 HG3 LYS 94 HG3 LYS 94 -2.184 -9.852 -3.040 471 HD2 LYS 94 HD2 LYS 94 -4.233 -10.386 -2.046 472 HD3 LYS 94 HD3 LYS 94 -4.722 -10.195 -3.718 473 HE2 LYS 94 HE2 LYS 94 -4.069 -12.830 -3.792 474 HE3 LYS 94 HE3 LYS 94 -4.463 -12.709 -2.089 475 HZ1 LYS 94 HZ1 LYS 94 -6.642 -12.513 -2.586 476 HZ2 LYS 94 HZ2 LYS 94 -6.404 -11.390 -3.741 477 H ILE 95 HN ILE 95 -0.836 -7.929 -3.586 478 HA ILE 95 HA ILE 95 -3.248 -6.459 -3.088 479 HB ILE 95 HB ILE 95 -0.475 -6.052 -1.968 480 HG12 ILE 95 HG1 ILE 95 -1.400 -8.405 -1.730 481 HG13 ILE 95 HG1 ILE 95 -0.947 -7.584 -0.250 482 HG22 ILE 95 HG2 ILE 95 -1.551 -4.182 -1.258 483 HG22 ILE 95 HG2 ILE 95 -3.166 -4.921 -1.380 484 HG22 ILE 95 HG2 ILE 95 -2.113 -5.305 0.003 485 HD11 ILE 95 HD1 ILE 95 -3.522 -8.652 -0.987 486 HD11 ILE 95 HD1 ILE 95 -3.040 -7.890 0.548 487 HD11 ILE 95 HD1 ILE 95 -3.681 -6.891 -0.778 488 H GLY 96 HN GLY 96 0.023 -5.805 -4.488 489 HA2 GLY 96 HA1 GLY 96 -0.134 -3.121 -4.942 490 HA3 GLY 96 HA2 GLY 96 0.668 -4.264 -6.001 491 H GLU 97 HN GLU 97 -2.011 -5.716 -6.469 492 HA GLU 97 HA GLU 97 -2.668 -4.298 -8.785 493 HB2 GLU 97 HB2 GLU 97 -4.409 -6.424 -7.489 494 HB3 GLU 97 HB3 GLU 97 -4.249 -6.057 -9.195 495 HG2 GLU 97 HG2 GLU 97 -1.732 -6.697 -8.908 496 HG3 GLU 97 HG3 GLU 97 -2.212 -7.397 -7.375 497 HE2 GLU 97 HE2 GLU 97 -2.074 -8.135 -10.684 498 H TYR 98 HN TYR 98 -4.327 -4.814 -5.661 499 HA TYR 98 HA TYR 98 -6.713 -3.469 -6.113 500 HB2 TYR 98 HB2 TYR 98 -6.004 -4.743 -4.062 501 HB3 TYR 98 HB3 TYR 98 -5.043 -3.333 -3.583 502 HD1 TYR 98 HD1 TYR 98 -6.004 -1.707 -2.230 503 HD2 TYR 98 HD2 TYR 98 -8.546 -4.272 -4.556 504 HE1 TYR 98 HE1 TYR 98 -8.000 -0.714 -1.143 505 HE2 TYR 98 HE2 TYR 98 -10.542 -3.279 -3.469 506 HH TYR 98 HH TYR 98 -11.296 -1.899 -1.780 507 H VAL 99 HN VAL 99 -3.424 -2.120 -5.734 508 HA VAL 99 HA VAL 99 -4.562 0.552 -5.511 509 HB VAL 99 HB VAL 99 -1.760 -0.557 -5.321 510 HG11 VAL 99 HG1 VAL 99 -1.097 1.483 -6.017 511 HG11 VAL 99 HG1 VAL 99 -2.701 2.208 -5.750 512 HG11 VAL 99 HG1 VAL 99 -1.577 2.007 -4.385 513 HG22 VAL 99 HG2 VAL 99 -2.833 -1.061 -3.315 514 HG22 VAL 99 HG2 VAL 99 -2.057 0.501 -2.963 515 HG22 VAL 99 HG2 VAL 99 -3.797 0.435 -3.334 516 H VAL 100 HN VAL 100 -4.954 -1.126 -7.940 517 HA VAL 100 HA VAL 100 -3.759 0.767 -9.814 518 HB VAL 100 HB VAL 100 -3.586 -2.244 -9.945 519 HG11 VAL 100 HG1 VAL 100 -3.634 -0.227 -12.130 520 HG11 VAL 100 HG1 VAL 100 -2.364 -1.470 -12.224 521 HG11 VAL 100 HG1 VAL 100 -4.076 -1.951 -12.145 522 HG22 VAL 100 HG2 VAL 100 -1.521 -1.900 -9.179 523 HG22 VAL 100 HG2 VAL 100 -1.158 -0.982 -10.660 524 HG22 VAL 100 HG2 VAL 100 -1.758 -0.137 -9.213 525 H ALA 101 HN ALA 101 -6.460 -0.087 -8.401 526 HA ALA 101 HA ALA 101 -7.984 -0.047 -10.910 527 HB1 ALA 101 HB1 ALA 101 -8.997 -1.475 -8.453 528 HB2 ALA 101 HB2 ALA 101 -9.436 -1.714 -10.161 529 HB3 ALA 101 HB3 ALA 101 -7.869 -2.300 -9.555 530 H SER 102 HN SER 102 -7.155 2.284 -9.631 531 HA SER 102 HA SER 102 -9.594 3.504 -9.172 532 HB2 SER 102 HB2 SER 102 -8.403 2.302 -6.805 533 HB3 SER 102 HB3 SER 102 -8.432 4.045 -6.623 534 HG SER 102 HG SER 102 -10.792 2.824 -7.641 535 H PHE 103 HN PHE 103 -6.050 3.410 -8.598 536 HA PHE 103 HA PHE 103 -5.739 5.900 -9.936 537 HB2 PHE 103 HB2 PHE 103 -4.404 6.625 -7.659 538 HB3 PHE 103 HB3 PHE 103 -6.082 7.061 -7.919 539 HD1 PHE 103 HD1 PHE 103 -4.574 3.789 -6.951 540 HD2 PHE 103 HD2 PHE 103 -7.093 7.017 -5.837 541 HE1 PHE 103 HE1 PHE 103 -5.218 2.564 -4.857 542 HE2 PHE 103 HE2 PHE 103 -7.737 5.792 -3.743 543 HZ PHE 103 HZ PHE 103 -6.792 3.580 -3.278 544 HA PRO 104 HA PRO 104 -2.153 3.053 -10.118 545 HB2 PRO 104 HB2 PRO 104 -2.165 2.582 -12.783 546 HB3 PRO 104 HB3 PRO 104 -3.360 1.794 -11.702 547 HG2 PRO 104 HG2 PRO 104 -3.665 4.094 -13.365 548 HG3 PRO 104 HG3 PRO 104 -4.929 2.832 -13.201 549 HD2 PRO 104 HD2 PRO 104 -5.018 5.285 -11.900 550 HD3 PRO 104 HD3 PRO 104 -5.729 3.795 -11.207 Start of MODEL 10 1 H ALA 25 HN ALA 25 -11.074 -8.000 -7.854 2 HA ALA 25 HA ALA 25 -11.815 -8.765 -5.655 3 HB1 ALA 25 HB1 ALA 25 -13.058 -9.593 -7.533 4 HB2 ALA 25 HB2 ALA 25 -11.773 -10.751 -7.956 5 HB3 ALA 25 HB3 ALA 25 -12.736 -10.991 -6.479 6 H GLY 26 HN GLY 26 -10.610 -9.151 -3.849 7 HA2 GLY 26 HA1 GLY 26 -9.834 -11.166 -2.618 8 HA3 GLY 26 HA2 GLY 26 -8.738 -11.441 -3.958 9 H GLY 27 HN GLY 27 -7.171 -9.597 -4.505 10 HA2 GLY 27 HA1 GLY 27 -5.504 -8.998 -2.452 11 HA3 GLY 27 HA2 GLY 27 -5.650 -8.038 -3.910 12 H GLY 28 HN GLY 28 -8.539 -7.339 -3.352 13 HA2 GLY 28 HA1 GLY 28 -8.047 -4.974 -1.839 14 HA3 GLY 28 HA2 GLY 28 -9.574 -5.521 -2.503 15 H GLU 29 HN GLU 29 -10.044 -7.967 -1.291 16 HA GLU 29 HA GLU 29 -11.110 -7.269 1.092 17 HB2 GLU 29 HB2 GLU 29 -11.622 -9.334 -0.252 18 HB3 GLU 29 HB3 GLU 29 -10.126 -10.050 0.315 19 HG2 GLU 29 HG2 GLU 29 -11.320 -9.206 2.693 20 HG3 GLU 29 HG3 GLU 29 -12.703 -9.697 1.736 21 HE2 GLU 29 HE2 GLU 29 -12.967 -11.947 1.541 22 H LEU 30 HN LEU 30 -7.768 -7.963 0.335 23 HA LEU 30 HA LEU 30 -7.076 -8.573 3.070 24 HB2 LEU 30 HB2 LEU 30 -5.323 -8.120 0.651 25 HB3 LEU 30 HB3 LEU 30 -4.808 -8.748 2.204 26 HG LEU 30 HG LEU 30 -6.576 -10.082 0.150 27 HD11 LEU 30 HD1 LEU 30 -3.800 -10.455 1.169 28 HD11 LEU 30 HD1 LEU 30 -4.731 -11.908 0.734 29 HD11 LEU 30 HD1 LEU 30 -4.458 -10.631 -0.475 30 HD22 LEU 30 HD2 LEU 30 -6.025 -11.089 2.954 31 HD22 LEU 30 HD2 LEU 30 -7.567 -10.399 2.394 32 HD22 LEU 30 HD2 LEU 30 -6.958 -11.912 1.681 33 H PHE 31 HN PHE 31 -6.825 -5.858 0.718 34 HA PHE 31 HA PHE 31 -5.323 -4.214 2.450 35 HB2 PHE 31 HB2 PHE 31 -5.358 -3.804 0.047 36 HB3 PHE 31 HB3 PHE 31 -7.108 -3.886 -0.015 37 HD1 PHE 31 HD1 PHE 31 -8.363 -2.020 1.354 38 HD2 PHE 31 HD2 PHE 31 -4.335 -1.728 0.049 39 HE1 PHE 31 HE1 PHE 31 -8.486 0.480 1.533 40 HE2 PHE 31 HE2 PHE 31 -4.459 0.772 0.228 41 HZ PHE 31 HZ PHE 31 -6.533 1.847 0.968 42 H ALA 32 HN ALA 32 -8.724 -5.065 2.232 43 HA ALA 32 HA ALA 32 -9.509 -2.709 3.750 44 HB1 ALA 32 HB1 ALA 32 -10.841 -3.562 1.789 45 HB2 ALA 32 HB2 ALA 32 -11.182 -5.036 2.726 46 HB3 ALA 32 HB3 ALA 32 -11.770 -3.458 3.304 47 H THR 33 HN THR 33 -7.643 -4.231 5.143 48 HA THR 33 HA THR 33 -9.069 -4.815 7.500 49 HB THR 33 HB THR 33 -8.344 -7.097 5.642 50 HG1 THR 33 HG1 THR 33 -10.482 -7.572 6.255 51 HG22 THR 33 HG2 THR 33 -8.880 -8.407 7.964 52 HG22 THR 33 HG2 THR 33 -7.214 -8.067 7.439 53 HG22 THR 33 HG2 THR 33 -8.004 -7.009 8.633 54 H HIS 34 HN HIS 34 -6.107 -5.254 5.522 55 HA HIS 34 HA HIS 34 -4.570 -4.973 7.989 56 HB2 HIS 34 HB2 HIS 34 -3.625 -5.825 5.239 57 HB3 HIS 34 HB3 HIS 34 -2.684 -5.839 6.718 58 HD1 HIS 34 HD1 HIS 34 -3.439 -7.622 8.591 59 HD2 HIS 34 HD2 HIS 34 -5.198 -8.072 4.809 60 HE1 HIS 34 HE1 HIS 34 -4.438 -9.969 8.542 61 H CYS 35 HN CYS 35 -5.901 -3.144 5.487 62 HA CYS 35 HA CYS 35 -3.826 -1.116 5.874 63 HB2 CYS 35 HB2 CYS 35 -5.354 -1.354 3.296 64 HB3 CYS 35 HB3 CYS 35 -3.898 -0.440 3.632 65 H ALA 36 HN ALA 36 -7.240 -1.924 4.965 66 HA ALA 36 HA ALA 36 -8.444 0.457 4.925 67 HB1 ALA 36 HB1 ALA 36 -9.162 -2.283 5.670 68 HB2 ALA 36 HB2 ALA 36 -10.156 -1.074 6.517 69 HB3 ALA 36 HB3 ALA 36 -10.084 -1.079 4.738 70 H GLY 37 HN GLY 37 -7.037 -1.161 7.780 71 HA2 GLY 37 HA1 GLY 37 -8.157 0.742 9.641 72 HA3 GLY 37 HA2 GLY 37 -7.018 -0.547 9.975 73 H CYS 38 HN CYS 38 -6.863 2.215 7.620 74 HA CYS 38 HA CYS 38 -5.279 3.902 9.013 75 HB2 CYS 38 HB2 CYS 38 -3.754 1.531 8.294 76 HB3 CYS 38 HB3 CYS 38 -3.073 2.962 7.546 77 H HIS 39 HN HIS 39 -5.997 2.162 5.987 78 HA HIS 39 HA HIS 39 -5.678 4.702 4.560 79 HB2 HIS 39 HB2 HIS 39 -5.189 1.861 3.664 80 HB3 HIS 39 HB3 HIS 39 -5.463 3.154 2.514 81 HD1 HIS 39 HD1 HIS 39 -3.751 5.388 3.118 82 HD2 HIS 39 HD2 HIS 39 -2.534 1.503 4.130 83 HE1 HIS 39 HE1 HIS 39 -1.215 5.480 3.383 84 HA PRO 40 HA PRO 40 -10.141 3.350 4.709 85 HB2 PRO 40 HB2 PRO 40 -11.158 5.484 6.027 86 HB3 PRO 40 HB3 PRO 40 -10.295 4.181 6.907 87 HG2 PRO 40 HG2 PRO 40 -8.853 6.944 6.037 88 HG3 PRO 40 HG3 PRO 40 -9.161 6.032 7.550 89 HD2 PRO 40 HD2 PRO 40 -6.946 5.657 5.865 90 HD3 PRO 40 HD3 PRO 40 -7.601 4.394 6.951 91 H GLN 41 HN GLN 41 -11.376 3.839 2.883 92 HA GLN 41 HA GLN 41 -11.833 4.778 0.963 93 HB2 GLN 41 HB2 GLN 41 -12.683 6.445 3.023 94 HB3 GLN 41 HB3 GLN 41 -11.856 7.565 1.958 95 HG2 GLN 41 HG2 GLN 41 -13.224 6.830 0.042 96 HG3 GLN 41 HG3 GLN 41 -13.977 5.581 1.013 97 HE21 GLN 41 HE2 GLN 41 -15.783 6.966 -0.023 98 HE21 GLN 41 HE2 GLN 41 -16.466 8.202 0.980 99 H GLY 42 HN GLY 42 -9.149 4.274 0.990 100 HA2 GLY 42 HA1 GLY 42 -7.172 4.847 0.086 101 HA3 GLY 42 HA2 GLY 42 -8.096 5.890 -0.977 102 H GLY 43 HN GLY 43 -8.409 6.520 2.461 103 HA2 GLY 43 HA1 GLY 43 -6.888 9.007 2.105 104 HA3 GLY 43 HA2 GLY 43 -8.098 8.674 3.328 105 H ASN 44 HN ASN 44 -6.762 9.226 5.114 106 HA ASN 44 HA ASN 44 -5.131 7.101 5.986 107 HB2 ASN 44 HB2 ASN 44 -3.840 9.288 4.574 108 HB3 ASN 44 HB3 ASN 44 -3.373 9.376 6.260 109 HD21 ASN 44 HD2 ASN 44 -1.521 8.843 4.360 110 HD21 ASN 44 HD2 ASN 44 -0.956 7.209 4.465 111 H THR 45 HN THR 45 -4.521 7.460 8.311 112 HA THR 45 HA THR 45 -5.978 9.733 9.495 113 HB THR 45 HB THR 45 -6.468 8.165 11.378 114 HG1 THR 45 HG1 THR 45 -5.302 6.198 9.553 115 HG22 THR 45 HG2 THR 45 -7.879 6.483 10.169 116 HG22 THR 45 HG2 THR 45 -8.109 8.115 9.498 117 HG22 THR 45 HG2 THR 45 -7.089 6.935 8.640 118 H VAL 46 HN VAL 46 -2.955 8.665 8.713 119 HA VAL 46 HA VAL 46 -1.817 9.647 11.234 120 HB VAL 46 HB VAL 46 -0.607 7.965 9.030 121 HG11 VAL 46 HG1 VAL 46 1.349 7.754 10.431 122 HG11 VAL 46 HG1 VAL 46 1.013 9.483 10.176 123 HG11 VAL 46 HG1 VAL 46 0.582 8.711 11.722 124 HG22 VAL 46 HG2 VAL 46 -2.399 7.016 10.722 125 HG22 VAL 46 HG2 VAL 46 -0.936 6.084 10.321 126 HG22 VAL 46 HG2 VAL 46 -1.016 7.004 11.842 127 H HIS 47 HN HIS 47 -1.297 9.719 7.635 128 HA HIS 47 HA HIS 47 -0.319 12.455 8.023 129 HB2 HIS 47 HB2 HIS 47 0.535 10.350 6.021 130 HB3 HIS 47 HB3 HIS 47 0.978 12.041 5.893 131 HD1 HIS 47 HD1 HIS 47 3.361 10.382 6.098 132 HD2 HIS 47 HD2 HIS 47 1.242 11.484 9.546 133 HE1 HIS 47 HE1 HIS 47 4.991 10.141 8.046 134 HA PRO 48 HA PRO 48 -3.919 13.286 5.538 135 HB2 PRO 48 HB2 PRO 48 -4.230 15.860 6.206 136 HB3 PRO 48 HB3 PRO 48 -4.405 14.592 7.463 137 HG2 PRO 48 HG2 PRO 48 -2.087 16.118 6.739 138 HG3 PRO 48 HG3 PRO 48 -2.503 16.040 8.482 139 HD2 PRO 48 HD2 PRO 48 -0.556 14.464 7.498 140 HD3 PRO 48 HD3 PRO 48 -1.763 13.753 8.612 141 H GLU 49 HN GLU 49 -0.772 13.588 4.794 142 HA GLU 49 HA GLU 49 -1.408 15.290 2.522 143 HB2 GLU 49 HB2 GLU 49 0.905 16.232 2.620 144 HB3 GLU 49 HB3 GLU 49 -0.058 16.663 4.019 145 HG2 GLU 49 HG2 GLU 49 1.113 15.203 5.456 146 HG3 GLU 49 HG3 GLU 49 1.638 14.163 4.147 147 HE2 GLU 49 HE2 GLU 49 3.194 16.040 6.188 148 H LYS 50 HN LYS 50 -0.849 12.244 3.500 149 HA LYS 50 HA LYS 50 0.664 11.617 1.068 150 HB2 LYS 50 HB2 LYS 50 1.013 10.228 3.741 151 HB3 LYS 50 HB3 LYS 50 1.846 9.845 2.248 152 HG2 LYS 50 HG2 LYS 50 2.097 12.699 2.883 153 HG3 LYS 50 HG3 LYS 50 2.660 11.711 4.216 154 HD2 LYS 50 HD2 LYS 50 4.126 10.427 2.640 155 HD3 LYS 50 HD3 LYS 50 3.570 11.427 1.313 156 HE2 LYS 50 HE2 LYS 50 4.577 13.418 2.262 157 HE3 LYS 50 HE3 LYS 50 4.866 12.625 3.798 158 HZ1 LYS 50 HZ1 LYS 50 6.665 12.760 1.773 159 HZ2 LYS 50 HZ2 LYS 50 6.749 11.692 2.999 160 H THR 51 HN THR 51 -1.243 11.187 -0.098 161 HA THR 51 HA THR 51 -2.946 9.072 1.025 162 HB THR 51 HB THR 51 -4.637 9.947 -0.525 163 HG1 THR 51 HG1 THR 51 -3.909 11.191 -2.245 164 HG22 THR 51 HG2 THR 51 -4.984 12.110 0.357 165 HG22 THR 51 HG2 THR 51 -3.896 11.416 1.583 166 HG22 THR 51 HG2 THR 51 -3.248 12.502 0.331 167 H LEU 52 HN LEU 52 -4.060 8.024 -1.269 168 HA LEU 52 HA LEU 52 -1.740 6.591 -2.312 169 HB2 LEU 52 HB2 LEU 52 -4.686 5.922 -2.323 170 HB3 LEU 52 HB3 LEU 52 -3.427 4.927 -3.027 171 HG LEU 52 HG LEU 52 -3.729 5.619 -0.092 172 HD11 LEU 52 HD1 LEU 52 -4.789 3.483 -1.756 173 HD11 LEU 52 HD1 LEU 52 -3.801 2.856 -0.414 174 HD11 LEU 52 HD1 LEU 52 -5.178 3.931 -0.078 175 HD22 LEU 52 HD2 LEU 52 -1.570 5.164 0.140 176 HD22 LEU 52 HD2 LEU 52 -1.909 3.502 -0.400 177 HD22 LEU 52 HD2 LEU 52 -1.418 4.739 -1.582 178 H ALA 53 HN ALA 53 -2.698 9.392 -3.107 179 HA ALA 53 HA ALA 53 -3.716 9.001 -5.768 180 HB1 ALA 53 HB1 ALA 53 -2.838 11.390 -4.114 181 HB2 ALA 53 HB2 ALA 53 -3.327 11.538 -5.819 182 HB3 ALA 53 HB3 ALA 53 -4.485 10.935 -4.610 183 H ARG 54 HN ARG 54 -2.560 8.990 -7.674 184 HA ARG 54 HA ARG 54 0.050 8.248 -7.619 185 HB2 ARG 54 HB2 ARG 54 -1.391 7.901 -9.582 186 HB3 ARG 54 HB3 ARG 54 -1.547 9.629 -9.831 187 HG2 ARG 54 HG2 ARG 54 0.926 9.780 -10.246 188 HG3 ARG 54 HG3 ARG 54 1.060 8.046 -10.029 189 HD2 ARG 54 HD2 ARG 54 0.455 7.689 -12.189 190 HD3 ARG 54 HD3 ARG 54 -1.054 8.546 -11.942 191 HE ARG 54 HE ARG 54 1.415 9.641 -13.107 192 H ALA 55 HN ALA 55 -1.409 11.524 -8.060 193 HA ALA 55 HA ALA 55 0.689 13.017 -8.823 194 HB1 ALA 55 HB1 ALA 55 -0.743 14.679 -8.312 195 HB2 ALA 55 HB2 ALA 55 -1.831 13.428 -7.663 196 HB3 ALA 55 HB3 ALA 55 -0.698 14.272 -6.579 197 H ARG 56 HN ARG 56 0.078 11.675 -5.535 198 HA ARG 56 HA ARG 56 2.466 12.921 -4.578 199 HB2 ARG 56 HB2 ARG 56 0.218 11.302 -3.397 200 HB3 ARG 56 HB3 ARG 56 1.748 11.257 -2.543 201 HG2 ARG 56 HG2 ARG 56 0.783 13.126 -1.540 202 HG3 ARG 56 HG3 ARG 56 1.665 13.903 -2.839 203 HD2 ARG 56 HD2 ARG 56 -0.262 14.685 -3.754 204 HD3 ARG 56 HD3 ARG 56 -0.927 13.066 -3.848 205 HE ARG 56 HE ARG 56 -2.282 13.658 -2.054 206 H ARG 57 HN ARG 57 1.199 9.590 -5.242 207 HA ARG 57 HA ARG 57 3.364 8.191 -4.368 208 HB2 ARG 57 HB2 ARG 57 1.001 7.705 -5.972 209 HB3 ARG 57 HB3 ARG 57 2.355 6.913 -6.754 210 HG2 ARG 57 HG2 ARG 57 2.181 5.234 -5.243 211 HG3 ARG 57 HG3 ARG 57 2.699 6.353 -3.998 212 HD2 ARG 57 HD2 ARG 57 0.589 5.440 -3.257 213 HD3 ARG 57 HD3 ARG 57 0.264 7.089 -3.753 214 HE ARG 57 HE ARG 57 -1.108 6.265 -5.451 215 H GLU 58 HN GLU 58 3.075 10.353 -7.074 216 HA GLU 58 HA GLU 58 5.073 9.108 -8.659 217 HB2 GLU 58 HB2 GLU 58 4.495 10.657 -10.245 218 HB3 GLU 58 HB3 GLU 58 3.087 10.865 -9.222 219 HG2 GLU 58 HG2 GLU 58 4.219 12.745 -8.030 220 HG3 GLU 58 HG3 GLU 58 5.643 12.529 -9.028 221 HE2 GLU 58 HE2 GLU 58 2.553 14.596 -9.950 222 H ALA 59 HN ALA 59 4.885 11.956 -6.434 223 HA ALA 59 HA ALA 59 7.394 12.977 -6.791 224 HB1 ALA 59 HB1 ALA 59 5.251 13.098 -4.848 225 HB2 ALA 59 HB2 ALA 59 6.824 13.095 -4.015 226 HB3 ALA 59 HB3 ALA 59 6.473 14.327 -5.250 227 H ASN 60 HN ASN 60 6.367 10.337 -4.518 228 HA ASN 60 HA ASN 60 9.053 9.889 -3.746 229 HB2 ASN 60 HB2 ASN 60 6.686 7.990 -3.374 230 HB3 ASN 60 HB3 ASN 60 8.132 8.080 -2.388 231 HD21 ASN 60 HD2 ASN 60 8.224 11.010 -2.499 232 HD21 ASN 60 HD2 ASN 60 7.008 11.600 -1.415 233 H GLY 61 HN GLY 61 6.678 8.570 -6.078 234 HA2 GLY 61 HA1 GLY 61 7.204 7.438 -8.019 235 HA3 GLY 61 HA2 GLY 61 8.796 7.059 -7.393 236 H ILE 62 HN ILE 62 5.282 6.340 -6.872 237 HA ILE 62 HA ILE 62 6.062 3.572 -6.357 238 HB ILE 62 HB ILE 62 4.237 5.240 -4.627 239 HG12 ILE 62 HG1 ILE 62 6.953 3.995 -4.217 240 HG13 ILE 62 HG1 ILE 62 6.459 5.658 -3.969 241 HG22 ILE 62 HG2 ILE 62 3.970 2.518 -5.264 242 HG22 ILE 62 HG2 ILE 62 4.715 2.568 -3.648 243 HG22 ILE 62 HG2 ILE 62 3.178 3.414 -3.946 244 HD11 ILE 62 HD1 ILE 62 6.160 3.309 -2.174 245 HD11 ILE 62 HD1 ILE 62 6.294 5.038 -1.773 246 HD11 ILE 62 HD1 ILE 62 4.725 4.358 -2.267 247 H ARG 63 HN ARG 63 5.382 4.187 -8.835 248 HA ARG 63 HA ARG 63 2.511 3.735 -8.954 249 HB2 ARG 63 HB2 ARG 63 4.121 4.509 -11.393 250 HB3 ARG 63 HB3 ARG 63 2.455 4.892 -11.008 251 HG2 ARG 63 HG2 ARG 63 3.302 6.953 -10.469 252 HG3 ARG 63 HG3 ARG 63 3.710 6.188 -8.947 253 HD2 ARG 63 HD2 ARG 63 5.849 6.857 -9.419 254 HD3 ARG 63 HD3 ARG 63 5.889 5.460 -10.475 255 HE ARG 63 HE ARG 63 4.766 7.382 -12.096 256 H THR 64 HN THR 64 3.655 1.441 -8.295 257 HA THR 64 HA THR 64 3.495 -0.140 -10.697 258 HB THR 64 HB THR 64 5.770 -1.189 -10.249 259 HG1 THR 64 HG1 THR 64 5.999 1.248 -8.636 260 HG22 THR 64 HG2 THR 64 6.035 1.835 -10.592 261 HG22 THR 64 HG2 THR 64 7.105 0.568 -11.239 262 HG22 THR 64 HG2 THR 64 5.470 0.779 -11.909 263 H VAL 65 HN VAL 65 3.225 -2.417 -10.263 264 HA VAL 65 HA VAL 65 1.701 -2.833 -7.935 265 HB VAL 65 HB VAL 65 2.795 -4.600 -10.113 266 HG11 VAL 65 HG1 VAL 65 0.951 -6.207 -8.996 267 HG11 VAL 65 HG1 VAL 65 2.678 -6.270 -8.568 268 HG11 VAL 65 HG1 VAL 65 1.535 -5.384 -7.530 269 HG22 VAL 65 HG2 VAL 65 0.991 -3.099 -10.759 270 HG22 VAL 65 HG2 VAL 65 0.402 -4.779 -10.727 271 HG22 VAL 65 HG2 VAL 65 -0.005 -3.667 -9.397 272 H ARG 66 HN ARG 66 4.881 -4.259 -8.985 273 HA ARG 66 HA ARG 66 5.461 -5.660 -6.812 274 HB2 ARG 66 HB2 ARG 66 7.352 -3.861 -8.407 275 HB3 ARG 66 HB3 ARG 66 7.908 -5.094 -7.293 276 HG2 ARG 66 HG2 ARG 66 5.894 -6.076 -9.243 277 HG3 ARG 66 HG3 ARG 66 7.369 -5.497 -9.991 278 HD2 ARG 66 HD2 ARG 66 8.571 -6.949 -8.115 279 HD3 ARG 66 HD3 ARG 66 7.021 -7.760 -8.002 280 HE ARG 66 HE ARG 66 8.943 -8.055 -10.133 281 H ASP 67 HN ASP 67 6.516 -2.197 -7.276 282 HA ASP 67 HA ASP 67 7.681 -1.638 -5.018 283 HB2 ASP 67 HB2 ASP 67 5.580 -0.090 -6.550 284 HB3 ASP 67 HB3 ASP 67 6.220 0.599 -5.072 285 HD2 ASP 67 HD2 ASP 67 8.387 -1.220 -7.019 286 H VAL 68 HN VAL 68 4.140 -2.130 -5.470 287 HA VAL 68 HA VAL 68 3.605 -1.546 -2.688 288 HB VAL 68 HB VAL 68 1.832 -2.460 -4.962 289 HG11 VAL 68 HG1 VAL 68 0.078 -1.381 -3.305 290 HG11 VAL 68 HG1 VAL 68 0.584 -3.078 -3.127 291 HG11 VAL 68 HG1 VAL 68 1.292 -1.824 -2.081 292 HG22 VAL 68 HG2 VAL 68 2.317 -0.343 -5.650 293 HG22 VAL 68 HG2 VAL 68 1.046 0.064 -4.473 294 HG22 VAL 68 HG2 VAL 68 2.760 0.209 -4.017 295 H ALA 69 HN ALA 69 5.461 -3.514 -2.675 296 HA ALA 69 HA ALA 69 4.024 -5.654 -1.469 297 HB1 ALA 69 HB1 ALA 69 4.940 -7.426 -2.981 298 HB2 ALA 69 HB2 ALA 69 3.754 -6.369 -3.783 299 HB3 ALA 69 HB3 ALA 69 5.494 -6.148 -4.089 300 H ALA 70 HN ALA 70 7.092 -4.386 -2.879 301 HA ALA 70 HA ALA 70 8.715 -5.895 -1.084 302 HB1 ALA 70 HB1 ALA 70 10.533 -4.721 -2.127 303 HB2 ALA 70 HB2 ALA 70 9.342 -5.065 -3.404 304 HB3 ALA 70 HB3 ALA 70 9.451 -3.431 -2.706 305 H TYR 71 HN TYR 71 8.178 -2.369 -1.484 306 HA TYR 71 HA TYR 71 9.333 -1.462 0.850 307 HB2 TYR 71 HB2 TYR 71 7.268 -0.545 -1.026 308 HB3 TYR 71 HB3 TYR 71 7.068 0.115 0.606 309 HD1 TYR 71 HD1 TYR 71 8.068 2.155 1.002 310 HD2 TYR 71 HD2 TYR 71 9.886 -0.541 -1.804 311 HE1 TYR 71 HE1 TYR 71 9.842 3.827 0.544 312 HE2 TYR 71 HE2 TYR 71 11.660 1.131 -2.262 313 HH TYR 71 HH TYR 71 11.585 4.400 -0.901 314 H ILE 72 HN ILE 72 5.799 -2.360 0.480 315 HA ILE 72 HA ILE 72 4.976 -1.953 2.996 316 HB ILE 72 HB ILE 72 3.411 -3.834 2.649 317 HG12 ILE 72 HG1 ILE 72 4.589 -4.334 -0.060 318 HG13 ILE 72 HG1 ILE 72 5.310 -5.129 1.325 319 HG22 ILE 72 HG2 ILE 72 3.196 -1.491 1.638 320 HG22 ILE 72 HG2 ILE 72 3.672 -2.245 0.098 321 HG22 ILE 72 HG2 ILE 72 2.199 -2.788 0.937 322 HD11 ILE 72 HD1 ILE 72 2.649 -5.568 1.847 323 HD11 ILE 72 HD1 ILE 72 2.647 -5.560 0.068 324 HD11 ILE 72 HD1 ILE 72 3.687 -6.703 0.951 325 H ARG 73 HN ARG 73 7.116 -4.579 1.845 326 HA ARG 73 HA ARG 73 6.983 -6.172 4.061 327 HB2 ARG 73 HB2 ARG 73 8.231 -6.470 1.760 328 HB3 ARG 73 HB3 ARG 73 9.583 -5.688 2.554 329 HG2 ARG 73 HG2 ARG 73 8.277 -7.935 4.056 330 HG3 ARG 73 HG3 ARG 73 9.178 -8.380 2.621 331 HD2 ARG 73 HD2 ARG 73 10.699 -6.436 4.188 332 HD3 ARG 73 HD3 ARG 73 10.232 -7.787 5.201 333 HE ARG 73 HE ARG 73 11.172 -8.891 2.766 334 H ASN 74 HN ASN 74 9.657 -3.819 3.267 335 HA ASN 74 HA ASN 74 9.883 -3.382 6.141 336 HB2 ASN 74 HB2 ASN 74 11.808 -4.666 4.834 337 HB3 ASN 74 HB3 ASN 74 12.227 -3.077 4.223 338 HD21 ASN 74 HD2 ASN 74 11.340 -4.679 7.280 339 HD21 ASN 74 HD2 ASN 74 12.503 -3.887 8.289 340 HA PRO 75 HA PRO 75 9.100 0.601 3.873 341 HB2 PRO 75 HB2 PRO 75 6.884 1.367 5.273 342 HB3 PRO 75 HB3 PRO 75 6.805 0.160 3.948 343 HG2 PRO 75 HG2 PRO 75 6.881 -0.248 6.869 344 HG3 PRO 75 HG3 PRO 75 5.857 -1.099 5.666 345 HD2 PRO 75 HD2 PRO 75 8.223 -2.126 6.756 346 HD3 PRO 75 HD3 PRO 75 7.594 -2.583 5.145 347 H GLY 76 HN GLY 76 8.825 2.912 5.012 348 HA2 GLY 76 HA1 GLY 76 10.831 2.984 7.098 349 HA3 GLY 76 HA2 GLY 76 10.099 4.339 6.262 350 HA PRO 77 HA PRO 77 8.477 4.103 10.646 351 HB2 PRO 77 HB2 PRO 77 8.793 6.838 11.040 352 HB3 PRO 77 HB3 PRO 77 10.068 5.617 11.359 353 HG2 PRO 77 HG2 PRO 77 9.601 7.258 9.052 354 HG3 PRO 77 HG3 PRO 77 11.236 7.084 9.771 355 HD2 PRO 77 HD2 PRO 77 10.670 5.670 7.594 356 HD3 PRO 77 HD3 PRO 77 11.374 4.786 8.982 357 H GLY 78 HN GLY 78 6.374 4.949 11.377 358 HA2 GLY 78 HA1 GLY 78 4.466 6.259 11.080 359 HA3 GLY 78 HA2 GLY 78 4.919 6.574 9.417 360 H MET 79 HN MET 79 5.592 3.755 8.762 361 HA MET 79 HA MET 79 2.880 2.675 8.858 362 HB2 MET 79 HB2 MET 79 3.987 3.581 6.597 363 HB3 MET 79 HB3 MET 79 4.874 2.071 6.636 364 HG2 MET 79 HG2 MET 79 2.885 0.752 6.460 365 HG3 MET 79 HG3 MET 79 1.850 2.079 6.949 366 HE1 MET 79 HE1 MET 79 3.754 1.033 3.061 367 HE2 MET 79 HE2 MET 79 3.576 0.154 4.598 368 HE3 MET 79 HE3 MET 79 2.204 0.261 3.470 369 HA PRO 80 HA PRO 80 4.563 -0.754 11.042 370 HB2 PRO 80 HB2 PRO 80 2.320 -2.220 9.654 371 HB3 PRO 80 HB3 PRO 80 2.714 -2.064 11.397 372 HG2 PRO 80 HG2 PRO 80 0.626 -0.650 10.307 373 HG3 PRO 80 HG3 PRO 80 1.770 -0.201 11.613 374 HD2 PRO 80 HD2 PRO 80 1.732 0.607 8.664 375 HD3 PRO 80 HD3 PRO 80 2.030 1.626 10.105 376 H ALA 81 HN ALA 81 3.922 -3.461 9.717 377 HA ALA 81 HA ALA 81 5.358 -3.314 7.227 378 HB1 ALA 81 HB1 ALA 81 7.101 -3.249 9.108 379 HB2 ALA 81 HB2 ALA 81 6.585 -4.906 9.502 380 HB3 ALA 81 HB3 ALA 81 7.282 -4.547 7.904 381 H PHE 82 HN PHE 82 5.401 -5.472 6.149 382 HA PHE 82 HA PHE 82 3.611 -7.413 7.378 383 HB2 PHE 82 HB2 PHE 82 3.383 -6.231 4.544 384 HB3 PHE 82 HB3 PHE 82 2.347 -7.491 5.187 385 HD1 PHE 82 HD1 PHE 82 3.105 -3.918 5.235 386 HD2 PHE 82 HD2 PHE 82 0.611 -6.967 6.813 387 HE1 PHE 82 HE1 PHE 82 1.514 -2.174 6.090 388 HE2 PHE 82 HE2 PHE 82 -0.979 -5.224 7.669 389 HZ PHE 82 HZ PHE 82 -0.509 -2.848 7.297 390 H GLY 83 HN GLY 83 5.008 -9.133 7.508 391 HA2 GLY 83 HA1 GLY 83 6.792 -9.653 5.235 392 HA3 GLY 83 HA2 GLY 83 6.910 -10.326 6.848 393 H GLU 84 HN GLU 84 7.152 -12.377 5.455 394 HA GLU 84 HA GLU 84 4.773 -13.295 4.207 395 HB2 GLU 84 HB2 GLU 84 6.068 -15.370 3.821 396 HB3 GLU 84 HB3 GLU 84 6.990 -13.953 3.362 397 HG2 GLU 84 HG2 GLU 84 8.229 -14.019 5.505 398 HG3 GLU 84 HG3 GLU 84 7.253 -15.364 6.059 399 HE2 GLU 84 HE2 GLU 84 7.518 -17.385 4.463 400 H ALA 85 HN ALA 85 5.412 -12.780 7.379 401 HA ALA 85 HA ALA 85 4.835 -15.243 8.596 402 HB1 ALA 85 HB1 ALA 85 4.153 -12.525 9.742 403 HB2 ALA 85 HB2 ALA 85 4.730 -13.982 10.587 404 HB3 ALA 85 HB3 ALA 85 5.843 -13.052 9.556 405 H MET 86 HN MET 86 2.798 -12.497 7.450 406 HA MET 86 HA MET 86 0.493 -14.205 7.991 407 HB2 MET 86 HB2 MET 86 0.758 -11.904 9.200 408 HB3 MET 86 HB3 MET 86 0.491 -11.163 7.635 409 HG2 MET 86 HG2 MET 86 -1.735 -12.116 7.456 410 HG3 MET 86 HG3 MET 86 -1.461 -13.189 8.814 411 HE1 MET 86 HE1 MET 86 -0.411 -12.312 10.863 412 HE2 MET 86 HE2 MET 86 -0.118 -10.579 11.145 413 HE3 MET 86 HE3 MET 86 -1.545 -11.368 11.858 414 H ILE 87 HN ILE 87 1.738 -11.602 5.776 415 HA ILE 87 HA ILE 87 0.184 -12.894 3.642 416 HB ILE 87 HB ILE 87 0.958 -9.986 3.899 417 HG12 ILE 87 HG1 ILE 87 -1.490 -11.504 4.701 418 HG13 ILE 87 HG1 ILE 87 -0.688 -10.165 5.497 419 HG22 ILE 87 HG2 ILE 87 -0.812 -11.383 1.873 420 HG22 ILE 87 HG2 ILE 87 -0.482 -9.636 1.966 421 HG22 ILE 87 HG2 ILE 87 0.833 -10.770 1.577 422 HD11 ILE 87 HD1 ILE 87 -2.282 -9.972 2.899 423 HD11 ILE 87 HD1 ILE 87 -2.839 -9.441 4.504 424 HD11 ILE 87 HD1 ILE 87 -1.474 -8.613 3.717 425 HA PRO 88 HA PRO 88 4.252 -13.820 2.144 426 HB2 PRO 88 HB2 PRO 88 3.457 -15.409 0.085 427 HB3 PRO 88 HB3 PRO 88 3.271 -15.922 1.793 428 HG2 PRO 88 HG2 PRO 88 1.573 -14.628 0.086 429 HG3 PRO 88 HG3 PRO 88 0.829 -16.045 0.896 430 HD2 PRO 88 HD2 PRO 88 0.181 -13.704 1.866 431 HD3 PRO 88 HD3 PRO 88 0.891 -14.843 3.049 432 HA PRO 89 HA PRO 89 4.950 -10.675 -0.841 433 HB2 PRO 89 HB2 PRO 89 6.804 -12.078 -2.451 434 HB3 PRO 89 HB3 PRO 89 7.177 -11.188 -0.939 435 HG2 PRO 89 HG2 PRO 89 6.662 -14.073 -1.321 436 HG3 PRO 89 HG3 PRO 89 7.959 -13.413 -0.272 437 HD2 PRO 89 HD2 PRO 89 5.706 -14.250 0.875 438 HD3 PRO 89 HD3 PRO 89 6.313 -12.629 1.333 439 H ALA 90 HN ALA 90 4.450 -14.078 -2.054 440 HA ALA 90 HA ALA 90 3.717 -13.294 -4.642 441 HB1 ALA 90 HB1 ALA 90 3.155 -15.559 -4.931 442 HB2 ALA 90 HB2 ALA 90 4.390 -15.608 -3.651 443 HB3 ALA 90 HB3 ALA 90 2.667 -15.755 -3.230 444 H ASP 91 HN ASP 91 2.053 -13.239 -1.537 445 HA ASP 91 HA ASP 91 -0.511 -13.037 -2.809 446 HB2 ASP 91 HB2 ASP 91 0.471 -12.969 0.068 447 HB3 ASP 91 HB3 ASP 91 -1.184 -12.545 -0.320 448 HD2 ASP 91 HD2 ASP 91 -0.436 -16.307 -1.389 449 H ALA 92 HN ALA 92 2.158 -11.029 -2.035 450 HA ALA 92 HA ALA 92 0.612 -8.682 -1.371 451 HB1 ALA 92 HB1 ALA 92 2.609 -7.835 -0.669 452 HB2 ALA 92 HB2 ALA 92 3.116 -9.541 -0.714 453 HB3 ALA 92 HB3 ALA 92 3.491 -8.464 -2.081 454 H LEU 93 HN LEU 93 2.121 -10.257 -4.175 455 HA LEU 93 HA LEU 93 2.220 -8.010 -5.842 456 HB2 LEU 93 HB2 LEU 93 1.992 -10.961 -6.440 457 HB3 LEU 93 HB3 LEU 93 2.255 -9.732 -7.661 458 HG LEU 93 HG LEU 93 4.119 -10.254 -5.329 459 HD11 LEU 93 HD1 LEU 93 4.158 -12.197 -6.715 460 HD11 LEU 93 HD1 LEU 93 4.236 -11.214 -8.197 461 HD11 LEU 93 HD1 LEU 93 5.618 -11.245 -7.076 462 HD22 LEU 93 HD2 LEU 93 5.339 -8.940 -7.569 463 HD22 LEU 93 HD2 LEU 93 3.893 -8.033 -7.063 464 HD22 LEU 93 HD2 LEU 93 5.179 -8.389 -5.884 465 H LYS 94 HN LYS 94 -0.429 -9.868 -4.567 466 HA LYS 94 HA LYS 94 -2.206 -9.124 -6.724 467 HB2 LYS 94 HB2 LYS 94 -3.654 -10.668 -5.877 468 HB3 LYS 94 HB3 LYS 94 -2.151 -11.329 -5.264 469 HG2 LYS 94 HG2 LYS 94 -2.742 -9.598 -3.231 470 HG3 LYS 94 HG3 LYS 94 -4.365 -9.950 -3.787 471 HD2 LYS 94 HD2 LYS 94 -2.660 -12.366 -3.575 472 HD3 LYS 94 HD3 LYS 94 -2.869 -11.535 -2.046 473 HE2 LYS 94 HE2 LYS 94 -5.246 -11.768 -2.098 474 HE3 LYS 94 HE3 LYS 94 -5.271 -12.089 -3.821 475 HZ1 LYS 94 HZ1 LYS 94 -3.689 -14.077 -2.745 476 HZ2 LYS 94 HZ2 LYS 94 -4.923 -13.946 -1.690 477 H ILE 95 HN ILE 95 -1.092 -7.937 -3.615 478 HA ILE 95 HA ILE 95 -3.381 -6.325 -3.099 479 HB ILE 95 HB ILE 95 -0.574 -6.115 -2.005 480 HG12 ILE 95 HG1 ILE 95 -1.660 -8.394 -1.792 481 HG13 ILE 95 HG1 ILE 95 -1.155 -7.630 -0.298 482 HG22 ILE 95 HG2 ILE 95 -3.110 -4.711 -1.455 483 HG22 ILE 95 HG2 ILE 95 -2.253 -5.320 -0.019 484 HG22 ILE 95 HG2 ILE 95 -1.426 -4.222 -1.148 485 HD11 ILE 95 HD1 ILE 95 -3.266 -7.823 0.488 486 HD11 ILE 95 HD1 ILE 95 -3.827 -6.733 -0.803 487 HD11 ILE 95 HD1 ILE 95 -3.802 -8.492 -1.072 488 H GLY 96 HN GLY 96 -0.151 -5.836 -4.629 489 HA2 GLY 96 HA1 GLY 96 -0.208 -3.100 -4.969 490 HA3 GLY 96 HA2 GLY 96 0.579 -4.244 -6.037 491 H GLU 97 HN GLU 97 -2.063 -5.650 -6.627 492 HA GLU 97 HA GLU 97 -2.695 -4.111 -8.877 493 HB2 GLU 97 HB2 GLU 97 -4.413 -6.349 -7.748 494 HB3 GLU 97 HB3 GLU 97 -4.230 -5.875 -9.425 495 HG2 GLU 97 HG2 GLU 97 -1.714 -6.485 -9.149 496 HG3 GLU 97 HG3 GLU 97 -2.181 -7.261 -7.649 497 HE2 GLU 97 HE2 GLU 97 -3.591 -7.294 -10.949 498 H TYR 98 HN TYR 98 -4.450 -4.892 -5.856 499 HA TYR 98 HA TYR 98 -6.838 -3.558 -6.272 500 HB2 TYR 98 HB2 TYR 98 -6.201 -4.942 -4.293 501 HB3 TYR 98 HB3 TYR 98 -5.211 -3.594 -3.708 502 HD1 TYR 98 HD1 TYR 98 -8.725 -4.378 -4.774 503 HD2 TYR 98 HD2 TYR 98 -6.147 -2.035 -2.260 504 HE1 TYR 98 HE1 TYR 98 -10.708 -3.414 -3.639 505 HE2 TYR 98 HE2 TYR 98 -8.130 -1.071 -1.125 506 HH TYR 98 HH TYR 98 -11.386 -2.252 -1.660 507 H VAL 99 HN VAL 99 -3.592 -2.165 -5.755 508 HA VAL 99 HA VAL 99 -4.819 0.466 -5.435 509 HB VAL 99 HB VAL 99 -2.002 -0.569 -5.089 510 HG11 VAL 99 HG1 VAL 99 -1.401 1.541 -5.644 511 HG11 VAL 99 HG1 VAL 99 -3.035 2.194 -5.372 512 HG11 VAL 99 HG1 VAL 99 -1.946 1.916 -3.991 513 HG22 VAL 99 HG2 VAL 99 -3.201 0.764 -2.808 514 HG22 VAL 99 HG2 VAL 99 -4.219 -0.585 -3.366 515 HG22 VAL 99 HG2 VAL 99 -2.516 -0.873 -2.937 516 H VAL 100 HN VAL 100 -5.094 -0.981 -7.954 517 HA VAL 100 HA VAL 100 -3.832 1.011 -9.641 518 HB VAL 100 HB VAL 100 -3.416 -1.966 -9.953 519 HG11 VAL 100 HG1 VAL 100 -3.243 0.275 -11.923 520 HG11 VAL 100 HG1 VAL 100 -1.984 -0.982 -11.979 521 HG11 VAL 100 HG1 VAL 100 -3.697 -1.429 -12.161 522 HG22 VAL 100 HG2 VAL 100 -1.046 -1.440 -9.823 523 HG22 VAL 100 HG2 VAL 100 -1.408 0.298 -9.696 524 HG22 VAL 100 HG2 VAL 100 -1.882 -0.808 -8.385 525 H ALA 101 HN ALA 101 -6.560 0.104 -8.522 526 HA ALA 101 HA ALA 101 -7.852 -0.074 -11.153 527 HB1 ALA 101 HB1 ALA 101 -7.976 -2.272 -10.096 528 HB2 ALA 101 HB2 ALA 101 -8.588 -1.546 -8.590 529 HB3 ALA 101 HB3 ALA 101 -9.584 -1.510 -10.065 530 H SER 102 HN SER 102 -7.073 2.234 -9.409 531 HA SER 102 HA SER 102 -9.604 3.490 -9.473 532 HB2 SER 102 HB2 SER 102 -9.261 4.235 -6.946 533 HB3 SER 102 HB3 SER 102 -10.122 2.759 -7.333 534 HG SER 102 HG SER 102 -8.418 2.570 -5.645 535 H PHE 103 HN PHE 103 -6.187 3.490 -8.309 536 HA PHE 103 HA PHE 103 -5.782 6.009 -9.649 537 HB2 PHE 103 HB2 PHE 103 -4.573 6.591 -7.255 538 HB3 PHE 103 HB3 PHE 103 -6.223 7.070 -7.600 539 HD1 PHE 103 HD1 PHE 103 -4.804 3.738 -6.699 540 HD2 PHE 103 HD2 PHE 103 -7.395 6.918 -5.613 541 HE1 PHE 103 HE1 PHE 103 -5.602 2.412 -4.722 542 HE2 PHE 103 HE2 PHE 103 -8.193 5.593 -3.636 543 HZ PHE 103 HZ PHE 103 -7.287 3.356 -3.214 544 HA PRO 104 HA PRO 104 -2.430 2.787 -9.928 545 HB2 PRO 104 HB2 PRO 104 -2.401 4.006 -12.683 546 HB3 PRO 104 HB3 PRO 104 -2.393 2.289 -12.164 547 HG2 PRO 104 HG2 PRO 104 -4.706 3.339 -13.176 548 HG3 PRO 104 HG3 PRO 104 -4.631 2.146 -11.838 549 HD2 PRO 104 HD2 PRO 104 -4.921 5.193 -11.746 550 HD3 PRO 104 HD3 PRO 104 -5.826 3.952 -10.828 Start of MODEL 11 1 H ALA 25 HN ALA 25 -12.063 -6.532 -6.322 2 HA ALA 25 HA ALA 25 -12.805 -8.504 -5.067 3 HB1 ALA 25 HB1 ALA 25 -13.605 -9.615 -6.954 4 HB2 ALA 25 HB2 ALA 25 -13.186 -8.022 -7.628 5 HB3 ALA 25 HB3 ALA 25 -12.084 -9.401 -7.854 6 H GLY 26 HN GLY 26 -11.087 -9.016 -3.513 7 HA2 GLY 26 HA1 GLY 26 -10.155 -11.284 -3.062 8 HA3 GLY 26 HA2 GLY 26 -9.220 -11.074 -4.530 9 H GLY 27 HN GLY 27 -7.739 -9.099 -4.640 10 HA2 GLY 27 HA1 GLY 27 -6.014 -9.059 -2.437 11 HA3 GLY 27 HA2 GLY 27 -6.005 -7.949 -3.793 12 H GLY 28 HN GLY 28 -8.935 -7.194 -3.203 13 HA2 GLY 28 HA1 GLY 28 -8.379 -4.930 -1.594 14 HA3 GLY 28 HA2 GLY 28 -9.944 -5.460 -2.180 15 H GLU 29 HN GLU 29 -10.157 -8.042 -1.022 16 HA GLU 29 HA GLU 29 -11.159 -7.438 1.433 17 HB2 GLU 29 HB2 GLU 29 -11.724 -9.471 0.133 18 HB3 GLU 29 HB3 GLU 29 -10.124 -10.124 0.422 19 HG2 GLU 29 HG2 GLU 29 -11.420 -11.175 2.093 20 HG3 GLU 29 HG3 GLU 29 -10.676 -9.848 2.964 21 HE2 GLU 29 HE2 GLU 29 -13.748 -8.703 3.909 22 H LEU 30 HN LEU 30 -7.835 -8.052 0.471 23 HA LEU 30 HA LEU 30 -6.986 -8.621 3.173 24 HB2 LEU 30 HB2 LEU 30 -5.389 -8.210 0.641 25 HB3 LEU 30 HB3 LEU 30 -4.763 -8.779 2.176 26 HG LEU 30 HG LEU 30 -6.583 -10.204 0.242 27 HD11 LEU 30 HD1 LEU 30 -4.781 -11.398 -0.278 28 HD11 LEU 30 HD1 LEU 30 -3.826 -10.226 0.662 29 HD11 LEU 30 HD1 LEU 30 -4.412 -11.719 1.434 30 HD22 LEU 30 HD2 LEU 30 -6.413 -12.033 2.185 31 HD22 LEU 30 HD2 LEU 30 -6.405 -10.564 3.190 32 HD22 LEU 30 HD2 LEU 30 -7.754 -10.868 2.069 33 H PHE 31 HN PHE 31 -6.930 -5.940 0.777 34 HA PHE 31 HA PHE 31 -5.360 -4.260 2.445 35 HB2 PHE 31 HB2 PHE 31 -5.411 -3.956 0.013 36 HB3 PHE 31 HB3 PHE 31 -7.163 -3.967 -0.017 37 HD1 PHE 31 HD1 PHE 31 -4.307 -1.924 -0.070 38 HD2 PHE 31 HD2 PHE 31 -8.313 -2.014 1.328 39 HE1 PHE 31 HE1 PHE 31 -4.325 0.584 0.040 40 HE2 PHE 31 HE2 PHE 31 -8.331 0.494 1.437 41 HZ PHE 31 HZ PHE 31 -6.337 1.763 0.791 42 H ALA 32 HN ALA 32 -8.715 -5.193 2.361 43 HA ALA 32 HA ALA 32 -9.522 -2.765 3.765 44 HB1 ALA 32 HB1 ALA 32 -11.215 -5.122 2.861 45 HB2 ALA 32 HB2 ALA 32 -11.771 -3.496 3.325 46 HB3 ALA 32 HB3 ALA 32 -10.843 -3.724 1.824 47 H THR 33 HN THR 33 -7.637 -4.266 5.178 48 HA THR 33 HA THR 33 -9.018 -4.748 7.576 49 HB THR 33 HB THR 33 -8.430 -7.107 5.769 50 HG1 THR 33 HG1 THR 33 -10.619 -6.571 6.087 51 HG22 THR 33 HG2 THR 33 -8.048 -6.963 8.767 52 HG22 THR 33 HG2 THR 33 -8.881 -8.384 8.092 53 HG22 THR 33 HG2 THR 33 -7.221 -7.998 7.579 54 H HIS 34 HN HIS 34 -6.125 -5.323 5.537 55 HA HIS 34 HA HIS 34 -4.514 -5.050 7.956 56 HB2 HIS 34 HB2 HIS 34 -3.664 -5.952 5.192 57 HB3 HIS 34 HB3 HIS 34 -2.689 -5.983 6.648 58 HD1 HIS 34 HD1 HIS 34 -3.460 -7.725 8.556 59 HD2 HIS 34 HD2 HIS 34 -5.301 -8.160 4.813 60 HE1 HIS 34 HE1 HIS 34 -4.524 -10.044 8.549 61 H CYS 35 HN CYS 35 -5.891 -3.185 5.531 62 HA CYS 35 HA CYS 35 -3.760 -1.208 5.840 63 HB2 CYS 35 HB2 CYS 35 -5.297 -1.471 3.268 64 HB3 CYS 35 HB3 CYS 35 -3.839 -0.553 3.587 65 H ALA 36 HN ALA 36 -7.188 -1.963 4.931 66 HA ALA 36 HA ALA 36 -8.352 0.433 4.865 67 HB1 ALA 36 HB1 ALA 36 -9.114 -2.283 5.655 68 HB2 ALA 36 HB2 ALA 36 -10.088 -1.044 6.483 69 HB3 ALA 36 HB3 ALA 36 -10.017 -1.079 4.705 70 H GLY 37 HN GLY 37 -6.930 -1.145 7.727 71 HA2 GLY 37 HA1 GLY 37 -8.030 0.789 9.572 72 HA3 GLY 37 HA2 GLY 37 -6.896 -0.503 9.916 73 H CYS 38 HN CYS 38 -6.736 2.213 7.510 74 HA CYS 38 HA CYS 38 -5.138 3.920 8.861 75 HB2 CYS 38 HB2 CYS 38 -3.629 1.525 8.194 76 HB3 CYS 38 HB3 CYS 38 -2.941 2.933 7.410 77 H HIS 39 HN HIS 39 -5.865 2.116 5.874 78 HA HIS 39 HA HIS 39 -5.539 4.624 4.392 79 HB2 HIS 39 HB2 HIS 39 -5.068 1.762 3.552 80 HB3 HIS 39 HB3 HIS 39 -5.324 3.038 2.379 81 HD1 HIS 39 HD1 HIS 39 -3.598 5.276 3.001 82 HD2 HIS 39 HD2 HIS 39 -2.412 1.375 3.987 83 HE1 HIS 39 HE1 HIS 39 -1.061 5.345 3.262 84 HA PRO 40 HA PRO 40 -10.005 3.289 4.570 85 HB2 PRO 40 HB2 PRO 40 -11.017 5.445 5.852 86 HB3 PRO 40 HB3 PRO 40 -10.154 4.158 6.755 87 HG2 PRO 40 HG2 PRO 40 -8.697 6.910 5.852 88 HG3 PRO 40 HG3 PRO 40 -9.030 6.001 7.362 89 HD2 PRO 40 HD2 PRO 40 -6.804 5.608 5.682 90 HD3 PRO 40 HD3 PRO 40 -7.459 4.368 6.793 91 H GLN 41 HN GLN 41 -11.178 3.716 2.695 92 HA GLN 41 HA GLN 41 -11.620 4.628 0.758 93 HB2 GLN 41 HB2 GLN 41 -12.560 6.287 2.785 94 HB3 GLN 41 HB3 GLN 41 -11.741 7.421 1.730 95 HG2 GLN 41 HG2 GLN 41 -13.831 7.376 0.708 96 HG3 GLN 41 HG3 GLN 41 -13.034 6.105 -0.198 97 HE21 GLN 41 HE2 GLN 41 -15.175 5.337 -0.617 98 HE21 GLN 41 HE2 GLN 41 -16.002 4.330 0.525 99 H GLY 42 HN GLY 42 -8.953 4.180 0.778 100 HA2 GLY 42 HA1 GLY 42 -6.979 4.792 -0.105 101 HA3 GLY 42 HA2 GLY 42 -7.906 5.856 -1.144 102 H GLY 43 HN GLY 43 -8.247 6.394 2.305 103 HA2 GLY 43 HA1 GLY 43 -6.721 8.891 2.025 104 HA3 GLY 43 HA2 GLY 43 -7.959 8.539 3.214 105 H ASN 44 HN ASN 44 -6.373 9.308 4.843 106 HA ASN 44 HA ASN 44 -4.865 7.073 5.795 107 HB2 ASN 44 HB2 ASN 44 -3.572 9.285 4.409 108 HB3 ASN 44 HB3 ASN 44 -3.092 9.322 6.094 109 HD21 ASN 44 HD2 ASN 44 -1.321 8.799 4.048 110 HD21 ASN 44 HD2 ASN 44 -0.748 7.167 4.144 111 H THR 45 HN THR 45 -4.315 7.387 8.124 112 HA THR 45 HA THR 45 -5.761 9.665 9.311 113 HB THR 45 HB THR 45 -6.209 8.073 11.203 114 HG1 THR 45 HG1 THR 45 -5.141 6.114 9.318 115 HG22 THR 45 HG2 THR 45 -7.161 7.634 8.428 116 HG22 THR 45 HG2 THR 45 -7.228 6.165 9.430 117 HG22 THR 45 HG2 THR 45 -8.087 7.636 9.949 118 H VAL 46 HN VAL 46 -2.732 8.656 8.519 119 HA VAL 46 HA VAL 46 -1.608 9.644 11.045 120 HB VAL 46 HB VAL 46 -0.386 7.932 8.871 121 HG11 VAL 46 HG1 VAL 46 0.988 9.647 10.475 122 HG11 VAL 46 HG1 VAL 46 0.963 8.188 11.495 123 HG11 VAL 46 HG1 VAL 46 1.644 8.114 9.852 124 HG22 VAL 46 HG2 VAL 46 -2.102 7.216 10.984 125 HG22 VAL 46 HG2 VAL 46 -1.116 6.134 9.972 126 HG22 VAL 46 HG2 VAL 46 -0.467 6.748 11.512 127 H HIS 47 HN HIS 47 -1.069 9.670 7.448 128 HA HIS 47 HA HIS 47 -0.095 12.411 7.805 129 HB2 HIS 47 HB2 HIS 47 0.782 10.253 5.876 130 HB3 HIS 47 HB3 HIS 47 1.179 11.945 5.646 131 HD1 HIS 47 HD1 HIS 47 3.641 10.498 5.896 132 HD2 HIS 47 HD2 HIS 47 1.460 11.472 9.344 133 HE1 HIS 47 HE1 HIS 47 5.287 10.375 7.841 134 HA PRO 48 HA PRO 48 -3.650 13.222 5.255 135 HB2 PRO 48 HB2 PRO 48 -3.992 15.793 5.918 136 HB3 PRO 48 HB3 PRO 48 -4.173 14.525 7.174 137 HG2 PRO 48 HG2 PRO 48 -1.715 16.167 6.571 138 HG3 PRO 48 HG3 PRO 48 -2.390 15.917 8.214 139 HD2 PRO 48 HD2 PRO 48 -0.287 14.436 7.181 140 HD3 PRO 48 HD3 PRO 48 -1.469 13.751 8.338 141 H GLU 49 HN GLU 49 -0.480 13.582 4.583 142 HA GLU 49 HA GLU 49 -1.091 15.313 2.320 143 HB2 GLU 49 HB2 GLU 49 1.212 16.219 2.432 144 HB3 GLU 49 HB3 GLU 49 0.319 16.567 3.899 145 HG2 GLU 49 HG2 GLU 49 1.556 15.051 5.189 146 HG3 GLU 49 HG3 GLU 49 1.926 14.019 3.822 147 HE2 GLU 49 HE2 GLU 49 4.686 15.599 5.117 148 H LYS 50 HN LYS 50 -0.527 12.225 3.289 149 HA LYS 50 HA LYS 50 0.875 11.603 0.789 150 HB2 LYS 50 HB2 LYS 50 1.298 10.027 3.329 151 HB3 LYS 50 HB3 LYS 50 2.213 9.958 1.837 152 HG2 LYS 50 HG2 LYS 50 2.456 12.640 2.499 153 HG3 LYS 50 HG3 LYS 50 2.405 11.898 4.085 154 HD2 LYS 50 HD2 LYS 50 4.685 11.731 3.662 155 HD3 LYS 50 HD3 LYS 50 4.159 10.193 3.006 156 HE2 LYS 50 HE2 LYS 50 5.283 10.888 1.128 157 HE3 LYS 50 HE3 LYS 50 3.806 11.771 0.797 158 HZ1 LYS 50 HZ1 LYS 50 5.266 13.387 2.504 159 HZ2 LYS 50 HZ2 LYS 50 6.365 12.820 1.446 160 H THR 51 HN THR 51 -1.049 11.160 -0.326 161 HA THR 51 HA THR 51 -2.727 9.054 0.858 162 HB THR 51 HB THR 51 -4.487 9.958 -0.573 163 HG1 THR 51 HG1 THR 51 -2.414 11.777 -1.543 164 HG22 THR 51 HG2 THR 51 -4.161 11.429 1.370 165 HG22 THR 51 HG2 THR 51 -2.772 12.216 0.584 166 HG22 THR 51 HG2 THR 51 -4.413 12.451 -0.065 167 H LEU 52 HN LEU 52 -3.926 7.958 -1.321 168 HA LEU 52 HA LEU 52 -1.661 6.558 -2.499 169 HB2 LEU 52 HB2 LEU 52 -4.605 5.899 -2.359 170 HB3 LEU 52 HB3 LEU 52 -3.402 4.913 -3.167 171 HG LEU 52 HG LEU 52 -3.524 5.535 -0.204 172 HD11 LEU 52 HD1 LEU 52 -4.516 3.542 0.136 173 HD11 LEU 52 HD1 LEU 52 -5.049 3.750 -1.550 174 HD11 LEU 52 HD1 LEU 52 -3.625 2.746 -1.184 175 HD22 LEU 52 HD2 LEU 52 -1.298 4.693 -1.852 176 HD22 LEU 52 HD2 LEU 52 -1.344 5.122 -0.125 177 HD22 LEU 52 HD2 LEU 52 -1.702 3.456 -0.638 178 H ALA 53 HN ALA 53 -2.711 9.368 -3.229 179 HA ALA 53 HA ALA 53 -3.758 8.942 -5.884 180 HB1 ALA 53 HB1 ALA 53 -3.946 10.945 -3.964 181 HB2 ALA 53 HB2 ALA 53 -2.842 11.643 -5.173 182 HB3 ALA 53 HB3 ALA 53 -4.457 11.079 -5.664 183 H ARG 54 HN ARG 54 -2.617 9.052 -7.799 184 HA ARG 54 HA ARG 54 0.023 8.466 -7.790 185 HB2 ARG 54 HB2 ARG 54 -1.475 8.167 -9.750 186 HB3 ARG 54 HB3 ARG 54 -1.597 9.903 -9.953 187 HG2 ARG 54 HG2 ARG 54 1.125 9.637 -9.991 188 HG3 ARG 54 HG3 ARG 54 0.674 8.065 -10.621 189 HD2 ARG 54 HD2 ARG 54 -0.465 10.667 -11.740 190 HD3 ARG 54 HD3 ARG 54 0.997 9.932 -12.367 191 HE ARG 54 HE ARG 54 -1.027 7.921 -12.286 192 H ALA 55 HN ALA 55 -1.612 11.662 -7.881 193 HA ALA 55 HA ALA 55 0.412 13.307 -8.650 194 HB1 ALA 55 HB1 ALA 55 -1.749 13.634 -6.539 195 HB2 ALA 55 HB2 ALA 55 -0.714 14.973 -7.088 196 HB3 ALA 55 HB3 ALA 55 -1.794 14.153 -8.241 197 H ARG 56 HN ARG 56 -0.267 12.129 -5.279 198 HA ARG 56 HA ARG 56 2.183 13.268 -4.397 199 HB2 ARG 56 HB2 ARG 56 -0.108 11.759 -3.148 200 HB3 ARG 56 HB3 ARG 56 1.420 11.729 -2.291 201 HG2 ARG 56 HG2 ARG 56 0.522 13.668 -1.381 202 HG3 ARG 56 HG3 ARG 56 1.369 14.366 -2.747 203 HD2 ARG 56 HD2 ARG 56 -0.605 15.212 -3.483 204 HD3 ARG 56 HD3 ARG 56 -1.158 13.576 -3.782 205 HE ARG 56 HE ARG 56 -2.613 13.875 -1.994 206 H ARG 57 HN ARG 57 0.982 10.157 -5.571 207 HA ARG 57 HA ARG 57 2.999 8.596 -4.416 208 HB2 ARG 57 HB2 ARG 57 0.652 8.164 -5.945 209 HB3 ARG 57 HB3 ARG 57 1.943 7.536 -6.951 210 HG2 ARG 57 HG2 ARG 57 2.407 5.800 -5.513 211 HG3 ARG 57 HG3 ARG 57 2.170 6.782 -4.081 212 HD2 ARG 57 HD2 ARG 57 0.269 5.495 -3.861 213 HD3 ARG 57 HD3 ARG 57 -0.408 6.694 -4.946 214 HE ARG 57 HE ARG 57 0.873 4.638 -6.495 215 H GLU 58 HN GLU 58 2.964 10.894 -6.982 216 HA GLU 58 HA GLU 58 4.981 9.597 -8.534 217 HB2 GLU 58 HB2 GLU 58 4.524 11.186 -10.125 218 HB3 GLU 58 HB3 GLU 58 3.056 11.378 -9.188 219 HG2 GLU 58 HG2 GLU 58 4.105 13.234 -7.895 220 HG3 GLU 58 HG3 GLU 58 5.598 13.027 -8.790 221 HE2 GLU 58 HE2 GLU 58 2.289 13.197 -10.432 222 H ALA 59 HN ALA 59 4.722 12.424 -6.289 223 HA ALA 59 HA ALA 59 7.258 13.410 -6.500 224 HB1 ALA 59 HB1 ALA 59 6.697 14.616 -4.630 225 HB2 ALA 59 HB2 ALA 59 5.080 13.976 -5.012 226 HB3 ALA 59 HB3 ALA 59 6.076 13.190 -3.764 227 H ASN 60 HN ASN 60 6.081 10.742 -4.338 228 HA ASN 60 HA ASN 60 8.708 10.250 -3.414 229 HB2 ASN 60 HB2 ASN 60 6.028 8.826 -3.151 230 HB3 ASN 60 HB3 ASN 60 7.489 8.064 -2.553 231 HD21 ASN 60 HD2 ASN 60 6.522 11.482 -2.647 232 HD21 ASN 60 HD2 ASN 60 6.583 11.779 -0.942 233 H GLY 61 HN GLY 61 6.553 9.118 -6.009 234 HA2 GLY 61 HA1 GLY 61 7.133 7.976 -7.900 235 HA3 GLY 61 HA2 GLY 61 8.716 7.634 -7.230 236 H ILE 62 HN ILE 62 5.212 6.815 -6.736 237 HA ILE 62 HA ILE 62 6.079 4.055 -6.267 238 HB ILE 62 HB ILE 62 4.161 5.693 -4.619 239 HG12 ILE 62 HG1 ILE 62 6.733 4.216 -4.028 240 HG13 ILE 62 HG1 ILE 62 6.415 5.932 -3.875 241 HG22 ILE 62 HG2 ILE 62 2.904 3.900 -4.275 242 HG22 ILE 62 HG2 ILE 62 3.957 2.911 -5.313 243 HG22 ILE 62 HG2 ILE 62 4.319 3.075 -3.579 244 HD11 ILE 62 HD1 ILE 62 5.932 5.499 -1.696 245 HD11 ILE 62 HD1 ILE 62 4.411 4.792 -2.292 246 HD11 ILE 62 HD1 ILE 62 5.820 3.747 -1.993 247 H ARG 63 HN ARG 63 5.534 4.643 -8.778 248 HA ARG 63 HA ARG 63 2.692 4.120 -9.090 249 HB2 ARG 63 HB2 ARG 63 4.484 4.872 -11.410 250 HB3 ARG 63 HB3 ARG 63 2.779 5.210 -11.187 251 HG2 ARG 63 HG2 ARG 63 3.734 6.618 -9.077 252 HG3 ARG 63 HG3 ARG 63 5.168 6.668 -10.083 253 HD2 ARG 63 HD2 ARG 63 2.528 7.301 -11.397 254 HD3 ARG 63 HD3 ARG 63 3.199 8.502 -10.311 255 HE ARG 63 HE ARG 63 5.092 7.432 -12.308 256 H THR 64 HN THR 64 3.721 1.844 -8.313 257 HA THR 64 HA THR 64 3.762 0.206 -10.665 258 HB THR 64 HB THR 64 6.043 -0.818 -9.875 259 HG1 THR 64 HG1 THR 64 5.728 0.743 -7.906 260 HG22 THR 64 HG2 THR 64 6.349 2.056 -10.820 261 HG22 THR 64 HG2 THR 64 7.301 0.626 -11.285 262 HG22 THR 64 HG2 THR 64 5.646 0.834 -11.906 263 H VAL 65 HN VAL 65 3.720 -2.130 -10.115 264 HA VAL 65 HA VAL 65 2.051 -2.474 -7.823 265 HB VAL 65 HB VAL 65 3.084 -4.203 -10.049 266 HG11 VAL 65 HG1 VAL 65 3.193 -5.754 -8.272 267 HG11 VAL 65 HG1 VAL 65 1.713 -5.120 -7.512 268 HG11 VAL 65 HG1 VAL 65 1.609 -6.037 -9.034 269 HG22 VAL 65 HG2 VAL 65 1.135 -3.677 -10.993 270 HG22 VAL 65 HG2 VAL 65 0.249 -4.314 -9.588 271 HG22 VAL 65 HG2 VAL 65 0.773 -2.614 -9.613 272 H ARG 66 HN ARG 66 5.312 -3.689 -8.861 273 HA ARG 66 HA ARG 66 5.925 -5.230 -6.796 274 HB2 ARG 66 HB2 ARG 66 7.638 -3.205 -8.296 275 HB3 ARG 66 HB3 ARG 66 8.347 -4.258 -7.089 276 HG2 ARG 66 HG2 ARG 66 7.143 -6.197 -8.420 277 HG3 ARG 66 HG3 ARG 66 7.033 -5.022 -9.715 278 HD2 ARG 66 HD2 ARG 66 9.224 -5.308 -10.253 279 HD3 ARG 66 HD3 ARG 66 9.728 -4.981 -8.607 280 HE ARG 66 HE ARG 66 9.367 -7.612 -9.825 281 H ASP 67 HN ASP 67 6.872 -1.706 -6.895 282 HA ASP 67 HA ASP 67 7.833 -1.311 -4.515 283 HB2 ASP 67 HB2 ASP 67 5.744 0.334 -5.988 284 HB3 ASP 67 HB3 ASP 67 6.429 0.912 -4.482 285 HD2 ASP 67 HD2 ASP 67 8.841 0.605 -7.673 286 H VAL 68 HN VAL 68 4.305 -1.646 -5.276 287 HA VAL 68 HA VAL 68 3.582 -1.399 -2.497 288 HB VAL 68 HB VAL 68 1.953 -2.091 -4.951 289 HG11 VAL 68 HG1 VAL 68 0.649 -2.812 -3.159 290 HG11 VAL 68 HG1 VAL 68 1.225 -1.516 -2.083 291 HG11 VAL 68 HG1 VAL 68 0.091 -1.140 -3.402 292 HG22 VAL 68 HG2 VAL 68 2.381 0.576 -3.561 293 HG22 VAL 68 HG2 VAL 68 2.990 0.111 -5.167 294 HG22 VAL 68 HG2 VAL 68 1.239 0.272 -4.892 295 H ALA 69 HN ALA 69 5.422 -3.373 -2.538 296 HA ALA 69 HA ALA 69 3.921 -5.598 -1.633 297 HB1 ALA 69 HB1 ALA 69 4.542 -7.234 -3.268 298 HB2 ALA 69 HB2 ALA 69 3.857 -5.861 -4.170 299 HB3 ALA 69 HB3 ALA 69 5.621 -6.091 -4.103 300 H ALA 70 HN ALA 70 7.058 -4.282 -2.836 301 HA ALA 70 HA ALA 70 8.569 -5.976 -1.090 302 HB1 ALA 70 HB1 ALA 70 9.660 -3.486 -2.377 303 HB2 ALA 70 HB2 ALA 70 10.413 -5.086 -2.180 304 HB3 ALA 70 HB3 ALA 70 9.156 -4.840 -3.416 305 H TYR 71 HN TYR 71 8.225 -2.413 -1.356 306 HA TYR 71 HA TYR 71 9.355 -1.622 1.010 307 HB2 TYR 71 HB2 TYR 71 7.299 -0.603 -0.817 308 HB3 TYR 71 HB3 TYR 71 7.095 -0.019 0.843 309 HD1 TYR 71 HD1 TYR 71 7.830 2.188 0.890 310 HD2 TYR 71 HD2 TYR 71 10.196 -0.771 -1.135 311 HE1 TYR 71 HE1 TYR 71 9.614 3.869 0.518 312 HE2 TYR 71 HE2 TYR 71 11.981 0.910 -1.506 313 HH TYR 71 HH TYR 71 12.778 3.057 -0.641 314 H ILE 72 HN ILE 72 5.822 -2.511 0.622 315 HA ILE 72 HA ILE 72 5.001 -2.182 3.152 316 HB ILE 72 HB ILE 72 3.455 -4.079 2.747 317 HG12 ILE 72 HG1 ILE 72 4.559 -4.434 -0.006 318 HG13 ILE 72 HG1 ILE 72 5.381 -5.248 1.310 319 HG22 ILE 72 HG2 ILE 72 2.347 -3.060 0.796 320 HG22 ILE 72 HG2 ILE 72 2.905 -1.847 1.973 321 HG22 ILE 72 HG2 ILE 72 3.819 -2.114 0.469 322 HD11 ILE 72 HD1 ILE 72 3.313 -6.367 2.000 323 HD11 ILE 72 HD1 ILE 72 2.376 -5.437 0.805 324 HD11 ILE 72 HD1 ILE 72 3.568 -6.641 0.259 325 H ARG 73 HN ARG 73 7.149 -4.763 1.916 326 HA ARG 73 HA ARG 73 7.024 -6.389 4.129 327 HB2 ARG 73 HB2 ARG 73 8.129 -6.839 1.842 328 HB3 ARG 73 HB3 ARG 73 9.507 -5.916 2.410 329 HG2 ARG 73 HG2 ARG 73 10.283 -7.669 3.628 330 HG3 ARG 73 HG3 ARG 73 8.738 -7.879 4.427 331 HD2 ARG 73 HD2 ARG 73 7.888 -9.253 2.588 332 HD3 ARG 73 HD3 ARG 73 9.287 -8.889 1.597 333 HE ARG 73 HE ARG 73 10.019 -10.099 4.153 334 H ASN 74 HN ASN 74 9.631 -3.995 3.238 335 HA ASN 74 HA ASN 74 10.010 -3.609 6.102 336 HB2 ASN 74 HB2 ASN 74 11.866 -4.927 4.762 337 HB3 ASN 74 HB3 ASN 74 12.271 -3.368 4.072 338 HD21 ASN 74 HD2 ASN 74 11.509 -4.831 7.230 339 HD21 ASN 74 HD2 ASN 74 12.733 -4.021 8.150 340 HA PRO 75 HA PRO 75 9.223 0.390 3.860 341 HB2 PRO 75 HB2 PRO 75 7.016 1.175 5.236 342 HB3 PRO 75 HB3 PRO 75 6.923 -0.070 3.948 343 HG2 PRO 75 HG2 PRO 75 7.007 -0.410 6.805 344 HG3 PRO 75 HG3 PRO 75 5.967 -1.337 5.675 345 HD2 PRO 75 HD2 PRO 75 8.346 -2.301 6.764 346 HD3 PRO 75 HD3 PRO 75 7.722 -2.814 5.166 347 H GLY 76 HN GLY 76 8.938 2.695 5.033 348 HA2 GLY 76 HA1 GLY 76 10.908 2.694 7.183 349 HA3 GLY 76 HA2 GLY 76 10.330 4.068 6.261 350 HA PRO 77 HA PRO 77 8.540 4.053 10.621 351 HB2 PRO 77 HB2 PRO 77 9.190 6.963 10.142 352 HB3 PRO 77 HB3 PRO 77 9.458 5.926 11.580 353 HG2 PRO 77 HG2 PRO 77 11.556 6.591 9.941 354 HG3 PRO 77 HG3 PRO 77 11.263 5.060 10.829 355 HD2 PRO 77 HD2 PRO 77 10.803 5.750 7.886 356 HD3 PRO 77 HD3 PRO 77 11.519 4.271 8.595 357 H GLY 78 HN GLY 78 6.433 4.992 11.231 358 HA2 GLY 78 HA1 GLY 78 4.553 6.294 10.791 359 HA3 GLY 78 HA2 GLY 78 5.073 6.518 9.132 360 H MET 79 HN MET 79 5.724 3.667 8.633 361 HA MET 79 HA MET 79 3.004 2.606 8.721 362 HB2 MET 79 HB2 MET 79 4.116 3.447 6.439 363 HB3 MET 79 HB3 MET 79 5.010 1.942 6.525 364 HG2 MET 79 HG2 MET 79 3.030 0.609 6.376 365 HG3 MET 79 HG3 MET 79 1.986 1.942 6.829 366 HE1 MET 79 HE1 MET 79 4.178 0.306 4.128 367 HE2 MET 79 HE2 MET 79 2.481 -0.228 4.077 368 HE3 MET 79 HE3 MET 79 3.172 0.674 2.706 369 HA PRO 80 HA PRO 80 4.688 -0.755 11.010 370 HB2 PRO 80 HB2 PRO 80 2.433 -2.258 9.683 371 HB3 PRO 80 HB3 PRO 80 2.833 -2.042 11.418 372 HG2 PRO 80 HG2 PRO 80 0.746 -0.660 10.285 373 HG3 PRO 80 HG3 PRO 80 1.894 -0.169 11.573 374 HD2 PRO 80 HD2 PRO 80 1.852 0.533 8.597 375 HD3 PRO 80 HD3 PRO 80 2.155 1.603 10.000 376 H ALA 81 HN ALA 81 4.040 -3.502 9.787 377 HA ALA 81 HA ALA 81 5.495 -3.426 7.295 378 HB1 ALA 81 HB1 ALA 81 7.490 -4.210 8.026 379 HB2 ALA 81 HB2 ALA 81 6.982 -3.594 9.617 380 HB3 ALA 81 HB3 ALA 81 6.731 -5.307 9.205 381 H PHE 82 HN PHE 82 5.628 -5.712 6.359 382 HA PHE 82 HA PHE 82 3.719 -7.543 7.544 383 HB2 PHE 82 HB2 PHE 82 3.563 -6.384 4.696 384 HB3 PHE 82 HB3 PHE 82 2.511 -7.643 5.311 385 HD1 PHE 82 HD1 PHE 82 0.623 -7.117 6.670 386 HD2 PHE 82 HD2 PHE 82 3.383 -4.073 5.607 387 HE1 PHE 82 HE1 PHE 82 -0.985 -5.372 7.487 388 HE2 PHE 82 HE2 PHE 82 1.774 -2.329 6.424 389 HZ PHE 82 HZ PHE 82 -0.391 -2.999 7.355 390 H GLY 83 HN GLY 83 5.109 -9.267 7.743 391 HA2 GLY 83 HA1 GLY 83 6.902 -9.876 5.502 392 HA3 GLY 83 HA2 GLY 83 6.994 -10.509 7.133 393 H GLU 84 HN GLU 84 7.221 -12.592 5.774 394 HA GLU 84 HA GLU 84 4.844 -13.509 4.529 395 HB2 GLU 84 HB2 GLU 84 7.218 -14.159 3.881 396 HB3 GLU 84 HB3 GLU 84 7.299 -15.122 5.342 397 HG2 GLU 84 HG2 GLU 84 4.868 -15.917 4.174 398 HG3 GLU 84 HG3 GLU 84 5.929 -15.701 2.796 399 HE2 GLU 84 HE2 GLU 84 5.516 -17.919 5.559 400 H ALA 85 HN ALA 85 5.463 -12.929 7.699 401 HA ALA 85 HA ALA 85 4.828 -15.345 8.972 402 HB1 ALA 85 HB1 ALA 85 4.174 -13.693 10.853 403 HB2 ALA 85 HB2 ALA 85 5.853 -13.647 10.263 404 HB3 ALA 85 HB3 ALA 85 4.688 -12.413 9.727 405 H MET 86 HN MET 86 2.845 -12.625 7.688 406 HA MET 86 HA MET 86 0.514 -14.297 8.231 407 HB2 MET 86 HB2 MET 86 0.794 -11.975 9.419 408 HB3 MET 86 HB3 MET 86 0.517 -11.262 7.842 409 HG2 MET 86 HG2 MET 86 -1.706 -12.218 7.690 410 HG3 MET 86 HG3 MET 86 -1.421 -13.279 9.056 411 HE1 MET 86 HE1 MET 86 -1.366 -10.920 12.098 412 HE2 MET 86 HE2 MET 86 -1.616 -12.593 11.544 413 HE3 MET 86 HE3 MET 86 -0.072 -11.770 11.221 414 H ILE 87 HN ILE 87 1.801 -11.705 6.025 415 HA ILE 87 HA ILE 87 0.307 -13.025 3.865 416 HB ILE 87 HB ILE 87 1.007 -10.098 4.117 417 HG12 ILE 87 HG1 ILE 87 -1.397 -11.667 4.943 418 HG13 ILE 87 HG1 ILE 87 -0.644 -10.279 5.703 419 HG22 ILE 87 HG2 ILE 87 0.904 -10.927 1.801 420 HG22 ILE 87 HG2 ILE 87 -0.740 -11.539 2.102 421 HG22 ILE 87 HG2 ILE 87 -0.415 -9.790 2.173 422 HD11 ILE 87 HD1 ILE 87 -1.469 -8.819 3.841 423 HD11 ILE 87 HD1 ILE 87 -2.274 -10.235 3.121 424 HD11 ILE 87 HD1 ILE 87 -2.798 -9.625 4.709 425 HA PRO 88 HA PRO 88 4.427 -13.866 2.461 426 HB2 PRO 88 HB2 PRO 88 3.698 -15.437 0.356 427 HB3 PRO 88 HB3 PRO 88 3.506 -15.981 2.055 428 HG2 PRO 88 HG2 PRO 88 1.787 -14.710 0.339 429 HG3 PRO 88 HG3 PRO 88 1.092 -16.159 1.134 430 HD2 PRO 88 HD2 PRO 88 0.359 -13.848 2.120 431 HD3 PRO 88 HD3 PRO 88 1.098 -14.975 3.297 432 HA PRO 89 HA PRO 89 5.173 -10.694 -0.480 433 HB2 PRO 89 HB2 PRO 89 7.028 -12.085 -2.101 434 HB3 PRO 89 HB3 PRO 89 7.397 -11.214 -0.577 435 HG2 PRO 89 HG2 PRO 89 6.877 -14.111 -0.983 436 HG3 PRO 89 HG3 PRO 89 8.165 -13.445 0.073 437 HD2 PRO 89 HD2 PRO 89 5.901 -14.288 1.202 438 HD3 PRO 89 HD3 PRO 89 6.511 -12.672 1.671 439 H ALA 90 HN ALA 90 4.672 -14.073 -1.759 440 HA ALA 90 HA ALA 90 3.950 -13.234 -4.333 441 HB1 ALA 90 HB1 ALA 90 4.131 -15.672 -2.782 442 HB2 ALA 90 HB2 ALA 90 2.614 -15.658 -3.713 443 HB3 ALA 90 HB3 ALA 90 4.173 -15.459 -4.549 444 H ASP 91 HN ASP 91 2.244 -13.340 -1.235 445 HA ASP 91 HA ASP 91 -0.306 -13.106 -2.501 446 HB2 ASP 91 HB2 ASP 91 0.691 -13.050 0.369 447 HB3 ASP 91 HB3 ASP 91 -0.966 -12.613 -0.000 448 HD2 ASP 91 HD2 ASP 91 -1.503 -14.570 1.296 449 H ALA 92 HN ALA 92 2.341 -11.069 -1.765 450 HA ALA 92 HA ALA 92 0.767 -8.739 -1.086 451 HB1 ALA 92 HB1 ALA 92 3.604 -9.576 -1.066 452 HB2 ALA 92 HB2 ALA 92 3.343 -7.883 -1.548 453 HB3 ALA 92 HB3 ALA 92 2.731 -8.467 0.018 454 H LEU 93 HN LEU 93 2.448 -10.224 -3.871 455 HA LEU 93 HA LEU 93 2.408 -7.969 -5.525 456 HB2 LEU 93 HB2 LEU 93 2.497 -10.932 -6.074 457 HB3 LEU 93 HB3 LEU 93 2.566 -9.731 -7.349 458 HG LEU 93 HG LEU 93 4.531 -9.787 -5.049 459 HD11 LEU 93 HD1 LEU 93 4.635 -11.231 -7.700 460 HD11 LEU 93 HD1 LEU 93 6.095 -10.833 -6.763 461 HD11 LEU 93 HD1 LEU 93 4.847 -11.891 -6.060 462 HD22 LEU 93 HD2 LEU 93 4.229 -8.200 -7.553 463 HD22 LEU 93 HD2 LEU 93 4.821 -7.717 -5.946 464 HD22 LEU 93 HD2 LEU 93 5.876 -8.642 -7.042 465 H LYS 94 HN LYS 94 -0.133 -9.930 -4.262 466 HA LYS 94 HA LYS 94 -1.900 -9.396 -6.494 467 HB2 LYS 94 HB2 LYS 94 -3.406 -10.874 -5.467 468 HB3 LYS 94 HB3 LYS 94 -1.826 -11.581 -5.194 469 HG2 LYS 94 HG2 LYS 94 -2.208 -11.552 -2.962 470 HG3 LYS 94 HG3 LYS 94 -2.281 -9.802 -3.004 471 HD2 LYS 94 HD2 LYS 94 -4.371 -10.580 -2.060 472 HD3 LYS 94 HD3 LYS 94 -4.725 -9.970 -3.665 473 HE2 LYS 94 HE2 LYS 94 -4.295 -12.503 -4.396 474 HE3 LYS 94 HE3 LYS 94 -4.623 -12.840 -2.708 475 HZ1 LYS 94 HZ1 LYS 94 -6.643 -12.859 -4.136 476 HZ2 LYS 94 HZ2 LYS 94 -6.769 -11.780 -2.923 477 H ILE 95 HN ILE 95 -0.854 -7.939 -3.516 478 HA ILE 95 HA ILE 95 -3.293 -6.481 -3.099 479 HB ILE 95 HB ILE 95 -0.570 -6.057 -1.868 480 HG12 ILE 95 HG1 ILE 95 -1.472 -8.430 -1.695 481 HG13 ILE 95 HG1 ILE 95 -1.071 -7.622 -0.193 482 HG22 ILE 95 HG2 ILE 95 -3.334 -5.056 -1.288 483 HG22 ILE 95 HG2 ILE 95 -2.191 -5.309 0.054 484 HG22 ILE 95 HG2 ILE 95 -1.776 -4.194 -1.271 485 HD11 ILE 95 HD1 ILE 95 -3.848 -7.081 -0.990 486 HD11 ILE 95 HD1 ILE 95 -3.526 -8.824 -0.822 487 HD11 ILE 95 HD1 ILE 95 -3.217 -7.726 0.545 488 H GLY 96 HN GLY 96 -0.053 -5.940 -4.560 489 HA2 GLY 96 HA1 GLY 96 -0.143 -3.212 -4.950 490 HA3 GLY 96 HA2 GLY 96 0.666 -4.365 -5.994 491 H GLU 97 HN GLU 97 -2.088 -5.757 -6.437 492 HA GLU 97 HA GLU 97 -2.674 -4.326 -8.785 493 HB2 GLU 97 HB2 GLU 97 -4.448 -6.462 -7.557 494 HB3 GLU 97 HB3 GLU 97 -4.223 -6.087 -9.254 495 HG2 GLU 97 HG2 GLU 97 -1.722 -6.740 -8.882 496 HG3 GLU 97 HG3 GLU 97 -2.258 -7.442 -7.368 497 HE2 GLU 97 HE2 GLU 97 -4.630 -9.068 -8.334 498 H TYR 98 HN TYR 98 -4.470 -4.973 -5.752 499 HA TYR 98 HA TYR 98 -6.809 -3.574 -6.228 500 HB2 TYR 98 HB2 TYR 98 -6.221 -4.937 -4.211 501 HB3 TYR 98 HB3 TYR 98 -5.227 -3.588 -3.637 502 HD1 TYR 98 HD1 TYR 98 -6.174 -2.030 -2.203 503 HD2 TYR 98 HD2 TYR 98 -8.727 -4.311 -4.796 504 HE1 TYR 98 HE1 TYR 98 -8.168 -1.015 -1.133 505 HE2 TYR 98 HE2 TYR 98 -10.721 -3.297 -3.726 506 HH TYR 98 HH TYR 98 -11.343 -1.272 -2.404 507 H VAL 99 HN VAL 99 -3.528 -2.272 -5.710 508 HA VAL 99 HA VAL 99 -4.666 0.400 -5.426 509 HB VAL 99 HB VAL 99 -1.875 -0.715 -5.114 510 HG11 VAL 99 HG1 VAL 99 -1.853 1.825 -4.020 511 HG11 VAL 99 HG1 VAL 99 -1.152 1.356 -5.588 512 HG11 VAL 99 HG1 VAL 99 -2.793 2.042 -5.516 513 HG22 VAL 99 HG2 VAL 99 -3.209 -1.334 -3.246 514 HG22 VAL 99 HG2 VAL 99 -2.249 0.071 -2.727 515 HG22 VAL 99 HG2 VAL 99 -3.964 0.275 -3.157 516 H VAL 100 HN VAL 100 -4.998 -1.099 -7.924 517 HA VAL 100 HA VAL 100 -3.701 0.839 -9.655 518 HB VAL 100 HB VAL 100 -3.399 -2.156 -9.923 519 HG11 VAL 100 HG1 VAL 100 -1.951 -1.143 -11.986 520 HG11 VAL 100 HG1 VAL 100 -3.619 -1.743 -12.138 521 HG11 VAL 100 HG1 VAL 100 -3.315 0.001 -11.954 522 HG22 VAL 100 HG2 VAL 100 -1.020 -1.732 -9.827 523 HG22 VAL 100 HG2 VAL 100 -1.293 0.027 -9.788 524 HG22 VAL 100 HG2 VAL 100 -1.798 -0.983 -8.411 525 H ALA 101 HN ALA 101 -6.446 -0.002 -8.477 526 HA ALA 101 HA ALA 101 -7.791 -0.035 -11.080 527 HB1 ALA 101 HB1 ALA 101 -9.145 -1.816 -10.527 528 HB2 ALA 101 HB2 ALA 101 -7.677 -2.289 -9.638 529 HB3 ALA 101 HB3 ALA 101 -9.025 -1.506 -8.778 530 H SER 102 HN SER 102 -7.153 2.309 -9.752 531 HA SER 102 HA SER 102 -9.649 3.436 -9.439 532 HB2 SER 102 HB2 SER 102 -8.601 2.231 -7.006 533 HB3 SER 102 HB3 SER 102 -8.711 3.967 -6.800 534 HG SER 102 HG SER 102 -10.690 2.374 -6.441 535 H PHE 103 HN PHE 103 -6.157 3.439 -8.618 536 HA PHE 103 HA PHE 103 -5.861 5.997 -9.847 537 HB2 PHE 103 HB2 PHE 103 -4.628 6.626 -7.484 538 HB3 PHE 103 HB3 PHE 103 -6.303 7.042 -7.789 539 HD1 PHE 103 HD1 PHE 103 -4.704 3.788 -6.891 540 HD2 PHE 103 HD2 PHE 103 -7.453 6.831 -5.799 541 HE1 PHE 103 HE1 PHE 103 -5.403 2.440 -4.892 542 HE2 PHE 103 HE2 PHE 103 -8.152 5.482 -3.800 543 HZ PHE 103 HZ PHE 103 -7.118 3.303 -3.371 544 HA PRO 104 HA PRO 104 -2.157 3.318 -10.005 545 HB2 PRO 104 HB2 PRO 104 -2.140 2.708 -12.623 546 HB3 PRO 104 HB3 PRO 104 -3.347 1.953 -11.532 547 HG2 PRO 104 HG2 PRO 104 -3.739 4.263 -13.338 548 HG3 PRO 104 HG3 PRO 104 -4.915 2.932 -13.088 549 HD2 PRO 104 HD2 PRO 104 -5.031 5.460 -11.853 550 HD3 PRO 104 HD3 PRO 104 -5.780 3.978 -11.185 Start of MODEL 12 1 H ALA 25 HN ALA 25 -11.975 -6.595 -6.945 2 HA ALA 25 HA ALA 25 -12.585 -8.181 -5.117 3 HB1 ALA 25 HB1 ALA 25 -13.759 -8.478 -7.146 4 HB2 ALA 25 HB2 ALA 25 -12.300 -9.008 -8.018 5 HB3 ALA 25 HB3 ALA 25 -13.058 -10.081 -6.817 6 H GLY 26 HN GLY 26 -11.423 -9.169 -3.542 7 HA2 GLY 26 HA1 GLY 26 -10.291 -11.196 -2.958 8 HA3 GLY 26 HA2 GLY 26 -9.316 -11.049 -4.407 9 H GLY 27 HN GLY 27 -7.920 -8.979 -4.576 10 HA2 GLY 27 HA1 GLY 27 -6.189 -8.839 -2.393 11 HA3 GLY 27 HA2 GLY 27 -6.255 -7.723 -3.743 12 H GLY 28 HN GLY 28 -9.172 -7.051 -3.175 13 HA2 GLY 28 HA1 GLY 28 -8.714 -4.809 -1.513 14 HA3 GLY 28 HA2 GLY 28 -10.254 -5.378 -2.126 15 H GLU 29 HN GLU 29 -10.217 -8.053 -0.993 16 HA GLU 29 HA GLU 29 -11.315 -7.492 1.470 17 HB2 GLU 29 HB2 GLU 29 -11.858 -9.501 0.136 18 HB3 GLU 29 HB3 GLU 29 -10.239 -10.127 0.373 19 HG2 GLU 29 HG2 GLU 29 -11.603 -11.243 2.001 20 HG3 GLU 29 HG3 GLU 29 -10.683 -10.051 2.899 21 HE2 GLU 29 HE2 GLU 29 -12.503 -9.878 4.490 22 H LEU 30 HN LEU 30 -7.983 -8.113 0.478 23 HA LEU 30 HA LEU 30 -7.127 -8.663 3.181 24 HB2 LEU 30 HB2 LEU 30 -5.462 -8.232 0.701 25 HB3 LEU 30 HB3 LEU 30 -4.947 -8.945 2.217 26 HG LEU 30 HG LEU 30 -6.927 -10.128 0.252 27 HD11 LEU 30 HD1 LEU 30 -5.080 -10.833 -0.775 28 HD11 LEU 30 HD1 LEU 30 -4.034 -10.336 0.577 29 HD11 LEU 30 HD1 LEU 30 -4.850 -11.917 0.618 30 HD22 LEU 30 HD2 LEU 30 -7.600 -10.672 2.528 31 HD22 LEU 30 HD2 LEU 30 -6.948 -12.109 1.704 32 HD22 LEU 30 HD2 LEU 30 -5.955 -11.241 2.899 33 H PHE 31 HN PHE 31 -6.899 -6.031 0.717 34 HA PHE 31 HA PHE 31 -5.348 -4.346 2.353 35 HB2 PHE 31 HB2 PHE 31 -5.498 -4.081 -0.093 36 HB3 PHE 31 HB3 PHE 31 -7.248 -4.011 -0.034 37 HD1 PHE 31 HD1 PHE 31 -8.240 -2.001 1.350 38 HD2 PHE 31 HD2 PHE 31 -4.305 -2.103 -0.236 39 HE1 PHE 31 HE1 PHE 31 -8.136 0.505 1.446 40 HE2 PHE 31 HE2 PHE 31 -4.202 0.403 -0.140 41 HZ PHE 31 HZ PHE 31 -6.118 1.677 0.700 42 H ALA 32 HN ALA 32 -8.826 -5.018 2.091 43 HA ALA 32 HA ALA 32 -9.480 -2.663 3.656 44 HB1 ALA 32 HB1 ALA 32 -11.648 -3.022 2.953 45 HB2 ALA 32 HB2 ALA 32 -10.778 -3.835 1.630 46 HB3 ALA 32 HB3 ALA 32 -11.473 -4.793 2.959 47 H THR 33 HN THR 33 -7.691 -4.240 5.059 48 HA THR 33 HA THR 33 -9.161 -4.796 7.401 49 HB THR 33 HB THR 33 -8.435 -7.088 5.552 50 HG1 THR 33 HG1 THR 33 -10.509 -6.368 7.503 51 HG22 THR 33 HG2 THR 33 -7.373 -8.070 7.387 52 HG22 THR 33 HG2 THR 33 -8.194 -7.007 8.554 53 HG22 THR 33 HG2 THR 33 -9.061 -8.393 7.850 54 H HIS 34 HN HIS 34 -6.180 -5.285 5.463 55 HA HIS 34 HA HIS 34 -4.674 -5.023 7.952 56 HB2 HIS 34 HB2 HIS 34 -3.705 -5.920 5.225 57 HB3 HIS 34 HB3 HIS 34 -2.788 -5.940 6.718 58 HD1 HIS 34 HD1 HIS 34 -3.595 -7.695 8.589 59 HD2 HIS 34 HD2 HIS 34 -5.334 -8.131 4.797 60 HE1 HIS 34 HE1 HIS 34 -4.646 -10.020 8.547 61 H CYS 35 HN CYS 35 -5.933 -3.184 5.425 62 HA CYS 35 HA CYS 35 -3.815 -1.202 5.817 63 HB2 CYS 35 HB2 CYS 35 -5.326 -1.413 3.227 64 HB3 CYS 35 HB3 CYS 35 -3.844 -0.544 3.571 65 H ALA 36 HN ALA 36 -7.240 -1.937 4.884 66 HA ALA 36 HA ALA 36 -8.396 0.460 4.808 67 HB1 ALA 36 HB1 ALA 36 -9.169 -2.250 5.600 68 HB2 ALA 36 HB2 ALA 36 -10.136 -1.009 6.432 69 HB3 ALA 36 HB3 ALA 36 -10.070 -1.042 4.653 70 H GLY 37 HN GLY 37 -7.035 -1.135 7.700 71 HA2 GLY 37 HA1 GLY 37 -8.110 0.838 9.516 72 HA3 GLY 37 HA2 GLY 37 -7.011 -0.477 9.883 73 H CYS 38 HN CYS 38 -6.760 2.224 7.467 74 HA CYS 38 HA CYS 38 -5.138 3.898 8.831 75 HB2 CYS 38 HB2 CYS 38 -3.677 1.467 8.178 76 HB3 CYS 38 HB3 CYS 38 -2.947 2.862 7.410 77 H HIS 39 HN HIS 39 -5.885 2.105 5.843 78 HA HIS 39 HA HIS 39 -5.473 4.597 4.355 79 HB2 HIS 39 HB2 HIS 39 -5.074 1.717 3.541 80 HB3 HIS 39 HB3 HIS 39 -5.306 2.982 2.351 81 HD1 HIS 39 HD1 HIS 39 -3.517 5.153 2.795 82 HD2 HIS 39 HD2 HIS 39 -2.442 1.321 4.120 83 HE1 HIS 39 HE1 HIS 39 -0.983 5.184 3.090 84 HA PRO 40 HA PRO 40 -9.989 3.420 4.575 85 HB2 PRO 40 HB2 PRO 40 -10.876 5.765 5.652 86 HB3 PRO 40 HB3 PRO 40 -10.165 4.464 6.661 87 HG2 PRO 40 HG2 PRO 40 -8.552 7.013 5.679 88 HG3 PRO 40 HG3 PRO 40 -8.900 6.206 7.242 89 HD2 PRO 40 HD2 PRO 40 -6.698 5.635 5.608 90 HD3 PRO 40 HD3 PRO 40 -7.430 4.453 6.736 91 H GLN 41 HN GLN 41 -10.967 3.645 2.566 92 HA GLN 41 HA GLN 41 -11.330 4.422 0.556 93 HB2 GLN 41 HB2 GLN 41 -12.330 6.698 0.458 94 HB3 GLN 41 HB3 GLN 41 -12.938 5.773 1.817 95 HG2 GLN 41 HG2 GLN 41 -11.462 6.945 3.373 96 HG3 GLN 41 HG3 GLN 41 -10.604 7.724 2.059 97 HE21 GLN 41 HE2 GLN 41 -11.084 9.760 1.848 98 HE21 GLN 41 HE2 GLN 41 -12.628 10.512 2.076 99 H GLY 42 HN GLY 42 -8.645 4.104 0.782 100 HA2 GLY 42 HA1 GLY 42 -6.664 4.730 -0.073 101 HA3 GLY 42 HA2 GLY 42 -7.567 5.754 -1.173 102 H GLY 43 HN GLY 43 -7.908 6.230 2.324 103 HA2 GLY 43 HA1 GLY 43 -6.558 8.828 2.038 104 HA3 GLY 43 HA2 GLY 43 -7.747 8.389 3.248 105 H ASN 44 HN ASN 44 -6.223 9.189 4.892 106 HA ASN 44 HA ASN 44 -4.461 7.060 5.679 107 HB2 ASN 44 HB2 ASN 44 -3.520 9.951 5.296 108 HB3 ASN 44 HB3 ASN 44 -2.599 8.741 6.168 109 HD21 ASN 44 HD2 ASN 44 -1.011 7.963 5.029 110 HD21 ASN 44 HD2 ASN 44 -1.005 7.596 3.336 111 H THR 45 HN THR 45 -4.196 7.044 8.013 112 HA THR 45 HA THR 45 -5.847 9.046 9.402 113 HB THR 45 HB THR 45 -5.910 7.123 11.155 114 HG1 THR 45 HG1 THR 45 -4.219 5.812 10.350 115 HG22 THR 45 HG2 THR 45 -7.133 5.663 9.033 116 HG22 THR 45 HG2 THR 45 -7.944 6.759 10.177 117 HG22 THR 45 HG2 THR 45 -7.346 7.381 8.620 118 H VAL 46 HN VAL 46 -2.675 8.372 8.644 119 HA VAL 46 HA VAL 46 -1.772 9.389 11.250 120 HB VAL 46 HB VAL 46 -0.347 7.703 9.183 121 HG11 VAL 46 HG1 VAL 46 0.683 9.434 11.295 122 HG11 VAL 46 HG1 VAL 46 1.189 7.741 11.509 123 HG11 VAL 46 HG1 VAL 46 1.545 8.591 9.986 124 HG22 VAL 46 HG2 VAL 46 -0.715 6.842 12.019 125 HG22 VAL 46 HG2 VAL 46 -2.133 6.783 10.945 126 HG22 VAL 46 HG2 VAL 46 -0.659 5.878 10.524 127 H HIS 47 HN HIS 47 -0.951 9.404 7.705 128 HA HIS 47 HA HIS 47 -0.198 12.211 8.087 129 HB2 HIS 47 HB2 HIS 47 0.963 10.092 6.268 130 HB3 HIS 47 HB3 HIS 47 1.265 11.803 6.038 131 HD1 HIS 47 HD1 HIS 47 3.805 10.620 6.488 132 HD2 HIS 47 HD2 HIS 47 1.277 11.305 9.765 133 HE1 HIS 47 HE1 HIS 47 5.298 10.609 8.557 134 HA PRO 48 HA PRO 48 -3.688 12.665 5.335 135 HB2 PRO 48 HB2 PRO 48 -4.346 15.172 6.012 136 HB3 PRO 48 HB3 PRO 48 -4.497 13.858 7.224 137 HG2 PRO 48 HG2 PRO 48 -2.345 15.601 6.719 138 HG3 PRO 48 HG3 PRO 48 -2.846 15.511 8.439 139 HD2 PRO 48 HD2 PRO 48 -0.702 14.133 7.683 140 HD3 PRO 48 HD3 PRO 48 -1.952 13.256 8.616 141 H GLU 49 HN GLU 49 -0.553 13.295 4.870 142 HA GLU 49 HA GLU 49 -1.143 15.125 2.676 143 HB2 GLU 49 HB2 GLU 49 1.526 14.995 4.134 144 HB3 GLU 49 HB3 GLU 49 1.015 16.187 2.955 145 HG2 GLU 49 HG2 GLU 49 -0.838 15.964 5.258 146 HG3 GLU 49 HG3 GLU 49 0.782 16.441 5.724 147 HE2 GLU 49 HE2 GLU 49 -1.440 17.322 3.082 148 H LYS 50 HN LYS 50 -0.464 11.994 3.502 149 HA LYS 50 HA LYS 50 1.010 11.574 1.000 150 HB2 LYS 50 HB2 LYS 50 1.406 9.912 3.497 151 HB3 LYS 50 HB3 LYS 50 2.324 9.849 2.006 152 HG2 LYS 50 HG2 LYS 50 2.174 12.479 3.487 153 HG3 LYS 50 HG3 LYS 50 3.215 11.222 4.126 154 HD2 LYS 50 HD2 LYS 50 4.728 11.409 2.405 155 HD3 LYS 50 HD3 LYS 50 3.480 11.621 1.192 156 HE2 LYS 50 HE2 LYS 50 3.130 13.994 2.237 157 HE3 LYS 50 HE3 LYS 50 4.664 13.728 3.041 158 HZ1 LYS 50 HZ1 LYS 50 4.243 13.645 0.101 159 HZ2 LYS 50 HZ2 LYS 50 5.006 14.830 0.916 160 H THR 51 HN THR 51 -1.258 11.465 0.159 161 HA THR 51 HA THR 51 -2.752 9.127 1.031 162 HB THR 51 HB THR 51 -4.451 10.099 -0.566 163 HG1 THR 51 HG1 THR 51 -2.379 11.038 -1.749 164 HG22 THR 51 HG2 THR 51 -3.746 12.639 0.670 165 HG22 THR 51 HG2 THR 51 -5.094 11.550 1.077 166 HG22 THR 51 HG2 THR 51 -3.505 11.326 1.847 167 H LEU 52 HN LEU 52 -3.906 8.060 -1.114 168 HA LEU 52 HA LEU 52 -1.620 6.859 -2.453 169 HB2 LEU 52 HB2 LEU 52 -4.522 6.048 -2.257 170 HB3 LEU 52 HB3 LEU 52 -3.305 5.171 -3.163 171 HG LEU 52 HG LEU 52 -3.256 5.648 -0.169 172 HD11 LEU 52 HD1 LEU 52 -4.603 3.659 -1.793 173 HD11 LEU 52 HD1 LEU 52 -3.431 2.909 -0.683 174 HD11 LEU 52 HD1 LEU 52 -4.708 3.971 -0.043 175 HD22 LEU 52 HD2 LEU 52 -1.102 5.128 -0.250 176 HD22 LEU 52 HD2 LEU 52 -1.545 3.527 -0.891 177 HD22 LEU 52 HD2 LEU 52 -1.185 4.865 -2.009 178 H ALA 53 HN ALA 53 -2.750 9.649 -3.009 179 HA ALA 53 HA ALA 53 -3.977 9.382 -5.588 180 HB1 ALA 53 HB1 ALA 53 -4.125 11.753 -5.512 181 HB2 ALA 53 HB2 ALA 53 -4.352 11.223 -3.828 182 HB3 ALA 53 HB3 ALA 53 -2.783 11.881 -4.351 183 H ARG 54 HN ARG 54 -2.984 9.351 -7.564 184 HA ARG 54 HA ARG 54 -0.375 8.706 -7.785 185 HB2 ARG 54 HB2 ARG 54 -2.128 8.491 -9.584 186 HB3 ARG 54 HB3 ARG 54 -2.056 10.223 -9.846 187 HG2 ARG 54 HG2 ARG 54 0.616 9.573 -10.047 188 HG3 ARG 54 HG3 ARG 54 -0.117 8.100 -10.650 189 HD2 ARG 54 HD2 ARG 54 -0.264 9.188 -12.653 190 HD3 ARG 54 HD3 ARG 54 -1.625 10.040 -11.950 191 HE ARG 54 HE ARG 54 0.858 11.317 -11.194 192 H ALA 55 HN ALA 55 -1.905 11.974 -8.225 193 HA ALA 55 HA ALA 55 0.159 13.481 -9.012 194 HB1 ALA 55 HB1 ALA 55 -2.286 13.846 -7.460 195 HB2 ALA 55 HB2 ALA 55 -1.019 14.992 -6.959 196 HB3 ALA 55 HB3 ALA 55 -1.534 14.923 -8.661 197 H ARG 56 HN ARG 56 -0.297 11.998 -5.786 198 HA ARG 56 HA ARG 56 2.043 13.359 -4.830 199 HB2 ARG 56 HB2 ARG 56 -0.221 11.847 -3.651 200 HB3 ARG 56 HB3 ARG 56 1.311 11.475 -2.887 201 HG2 ARG 56 HG2 ARG 56 0.501 13.339 -1.656 202 HG3 ARG 56 HG3 ARG 56 1.692 14.035 -2.736 203 HD2 ARG 56 HD2 ARG 56 0.043 14.980 -4.166 204 HD3 ARG 56 HD3 ARG 56 -1.208 13.883 -3.614 205 HE ARG 56 HE ARG 56 -0.562 16.421 -2.441 206 H ARG 57 HN ARG 57 0.858 9.960 -5.355 207 HA ARG 57 HA ARG 57 3.131 8.672 -4.614 208 HB2 ARG 57 HB2 ARG 57 0.732 8.077 -6.217 209 HB3 ARG 57 HB3 ARG 57 2.123 7.186 -6.803 210 HG2 ARG 57 HG2 ARG 57 2.455 6.786 -4.126 211 HG3 ARG 57 HG3 ARG 57 0.715 6.993 -4.159 212 HD2 ARG 57 HD2 ARG 57 1.679 5.234 -6.332 213 HD3 ARG 57 HD3 ARG 57 2.099 4.624 -4.744 214 HE ARG 57 HE ARG 57 -0.173 4.232 -4.306 215 H GLU 58 HN GLU 58 2.586 10.760 -7.335 216 HA GLU 58 HA GLU 58 4.519 9.550 -9.026 217 HB2 GLU 58 HB2 GLU 58 3.808 11.066 -10.602 218 HB3 GLU 58 HB3 GLU 58 2.437 11.191 -9.517 219 HG2 GLU 58 HG2 GLU 58 3.073 13.450 -9.908 220 HG3 GLU 58 HG3 GLU 58 3.733 13.090 -8.325 221 HE2 GLU 58 HE2 GLU 58 6.268 14.755 -9.787 222 H ALA 59 HN ALA 59 4.392 12.293 -6.701 223 HA ALA 59 HA ALA 59 6.841 13.438 -7.295 224 HB1 ALA 59 HB1 ALA 59 4.880 14.153 -5.717 225 HB2 ALA 59 HB2 ALA 59 5.762 13.224 -4.481 226 HB3 ALA 59 HB3 ALA 59 6.547 14.606 -5.284 227 H ASN 60 HN ASN 60 6.052 10.987 -4.721 228 HA ASN 60 HA ASN 60 8.796 10.566 -4.221 229 HB2 ASN 60 HB2 ASN 60 6.235 9.130 -3.382 230 HB3 ASN 60 HB3 ASN 60 7.810 8.531 -2.899 231 HD21 ASN 60 HD2 ASN 60 7.031 11.920 -3.392 232 HD21 ASN 60 HD2 ASN 60 7.155 12.438 -1.744 233 H GLY 61 HN GLY 61 6.264 9.192 -6.301 234 HA2 GLY 61 HA1 GLY 61 6.504 7.826 -8.106 235 HA3 GLY 61 HA2 GLY 61 8.197 7.590 -7.719 236 H ILE 62 HN ILE 62 4.860 6.511 -7.064 237 HA ILE 62 HA ILE 62 5.957 3.963 -6.188 238 HB ILE 62 HB ILE 62 3.886 5.487 -4.602 239 HG12 ILE 62 HG1 ILE 62 6.839 5.058 -4.197 240 HG13 ILE 62 HG1 ILE 62 5.916 6.544 -4.101 241 HG22 ILE 62 HG2 ILE 62 4.251 2.733 -4.848 242 HG22 ILE 62 HG2 ILE 62 5.074 3.164 -3.329 243 HG22 ILE 62 HG2 ILE 62 3.362 3.592 -3.566 244 HD11 ILE 62 HD1 ILE 62 6.264 4.386 -2.062 245 HD11 ILE 62 HD1 ILE 62 6.071 6.141 -1.839 246 HD11 ILE 62 HD1 ILE 62 4.646 5.122 -2.154 247 H ARG 63 HN ARG 63 4.892 4.819 -8.718 248 HA ARG 63 HA ARG 63 2.210 3.747 -8.656 249 HB2 ARG 63 HB2 ARG 63 3.526 4.694 -11.205 250 HB3 ARG 63 HB3 ARG 63 1.850 4.839 -10.712 251 HG2 ARG 63 HG2 ARG 63 2.408 7.013 -10.255 252 HG3 ARG 63 HG3 ARG 63 3.044 6.354 -8.761 253 HD2 ARG 63 HD2 ARG 63 4.943 7.476 -9.486 254 HD3 ARG 63 HD3 ARG 63 5.231 5.937 -10.272 255 HE ARG 63 HE ARG 63 3.737 7.268 -12.158 256 H THR 64 HN THR 64 3.455 1.597 -8.066 257 HA THR 64 HA THR 64 3.591 0.041 -10.482 258 HB THR 64 HB THR 64 5.934 -0.776 -9.934 259 HG1 THR 64 HG1 THR 64 5.609 1.531 -8.147 260 HG22 THR 64 HG2 THR 64 5.919 2.267 -10.202 261 HG22 THR 64 HG2 THR 64 7.133 1.124 -10.825 262 HG22 THR 64 HG2 THR 64 5.517 1.198 -11.567 263 H VAL 65 HN VAL 65 3.373 -2.210 -10.113 264 HA VAL 65 HA VAL 65 1.884 -2.792 -7.797 265 HB VAL 65 HB VAL 65 3.052 -4.415 -10.049 266 HG11 VAL 65 HG1 VAL 65 1.831 -6.369 -9.231 267 HG11 VAL 65 HG1 VAL 65 3.037 -5.838 -8.034 268 HG11 VAL 65 HG1 VAL 65 1.314 -5.463 -7.789 269 HG22 VAL 65 HG2 VAL 65 1.042 -4.188 -11.057 270 HG22 VAL 65 HG2 VAL 65 0.140 -4.352 -9.531 271 HG22 VAL 65 HG2 VAL 65 0.864 -2.787 -9.973 272 H ARG 66 HN ARG 66 5.169 -3.892 -8.906 273 HA ARG 66 HA ARG 66 5.837 -5.402 -6.819 274 HB2 ARG 66 HB2 ARG 66 7.456 -3.478 -8.518 275 HB3 ARG 66 HB3 ARG 66 8.252 -4.347 -7.221 276 HG2 ARG 66 HG2 ARG 66 6.904 -6.422 -8.380 277 HG3 ARG 66 HG3 ARG 66 7.100 -5.392 -9.784 278 HD2 ARG 66 HD2 ARG 66 9.465 -5.492 -9.702 279 HD3 ARG 66 HD3 ARG 66 9.494 -5.900 -7.998 280 HE ARG 66 HE ARG 66 9.243 -7.764 -10.216 281 H ASP 67 HN ASP 67 6.750 -1.877 -7.062 282 HA ASP 67 HA ASP 67 7.811 -1.405 -4.735 283 HB2 ASP 67 HB2 ASP 67 5.653 0.178 -6.175 284 HB3 ASP 67 HB3 ASP 67 6.383 0.806 -4.711 285 HD2 ASP 67 HD2 ASP 67 8.713 -0.826 -6.676 286 H VAL 68 HN VAL 68 4.312 -2.003 -5.343 287 HA VAL 68 HA VAL 68 3.665 -1.590 -2.550 288 HB VAL 68 HB VAL 68 1.988 -2.414 -4.930 289 HG11 VAL 68 HG1 VAL 68 0.757 -3.172 -3.106 290 HG11 VAL 68 HG1 VAL 68 1.319 -1.856 -2.046 291 HG11 VAL 68 HG1 VAL 68 0.131 -1.520 -3.329 292 HG22 VAL 68 HG2 VAL 68 2.325 0.287 -3.580 293 HG22 VAL 68 HG2 VAL 68 2.914 -0.168 -5.197 294 HG22 VAL 68 HG2 VAL 68 1.165 -0.088 -4.878 295 H ALA 69 HN ALA 69 5.569 -3.503 -2.576 296 HA ALA 69 HA ALA 69 4.158 -5.747 -1.554 297 HB1 ALA 69 HB1 ALA 69 4.161 -7.122 -3.329 298 HB2 ALA 69 HB2 ALA 69 4.752 -5.780 -4.337 299 HB3 ALA 69 HB3 ALA 69 5.910 -6.879 -3.549 300 H ALA 70 HN ALA 70 7.228 -4.327 -2.803 301 HA ALA 70 HA ALA 70 8.838 -5.902 -1.050 302 HB1 ALA 70 HB1 ALA 70 10.577 -4.993 -2.224 303 HB2 ALA 70 HB2 ALA 70 9.283 -4.578 -3.373 304 HB3 ALA 70 HB3 ALA 70 9.870 -3.360 -2.216 305 H TYR 71 HN TYR 71 8.240 -2.371 -1.284 306 HA TYR 71 HA TYR 71 9.319 -1.554 1.115 307 HB2 TYR 71 HB2 TYR 71 7.263 -0.600 -0.752 308 HB3 TYR 71 HB3 TYR 71 7.009 -0.033 0.908 309 HD1 TYR 71 HD1 TYR 71 9.991 -0.547 -1.335 310 HD2 TYR 71 HD2 TYR 71 7.841 2.082 1.294 311 HE1 TYR 71 HE1 TYR 71 11.720 1.199 -1.669 312 HE2 TYR 71 HE2 TYR 71 9.569 3.829 0.961 313 HH TYR 71 HH TYR 71 12.533 3.388 -0.113 314 H ILE 72 HN ILE 72 5.820 -2.535 0.636 315 HA ILE 72 HA ILE 72 4.937 -2.279 3.149 316 HB ILE 72 HB ILE 72 3.453 -4.205 2.683 317 HG12 ILE 72 HG1 ILE 72 4.696 -4.502 -0.028 318 HG13 ILE 72 HG1 ILE 72 5.415 -5.354 1.324 319 HG22 ILE 72 HG2 ILE 72 2.770 -2.052 1.922 320 HG22 ILE 72 HG2 ILE 72 3.853 -2.135 0.512 321 HG22 ILE 72 HG2 ILE 72 2.440 -3.212 0.613 322 HD11 ILE 72 HD1 ILE 72 3.852 -6.958 0.891 323 HD11 ILE 72 HD1 ILE 72 2.719 -5.865 1.722 324 HD11 ILE 72 HD1 ILE 72 2.840 -5.839 -0.054 325 H ARG 73 HN ARG 73 7.179 -4.785 1.922 326 HA ARG 73 HA ARG 73 7.055 -6.411 4.151 327 HB2 ARG 73 HB2 ARG 73 8.139 -6.874 1.849 328 HB3 ARG 73 HB3 ARG 73 9.525 -5.961 2.409 329 HG2 ARG 73 HG2 ARG 73 10.281 -7.695 3.675 330 HG3 ARG 73 HG3 ARG 73 8.710 -7.939 4.414 331 HD2 ARG 73 HD2 ARG 73 8.010 -9.470 2.762 332 HD3 ARG 73 HD3 ARG 73 9.095 -8.822 1.548 333 HE ARG 73 HE ARG 73 10.451 -10.042 3.860 334 H ASN 74 HN ASN 74 9.635 -4.011 3.198 335 HA ASN 74 HA ASN 74 10.062 -3.605 6.052 336 HB2 ASN 74 HB2 ASN 74 11.905 -4.898 4.650 337 HB3 ASN 74 HB3 ASN 74 12.286 -3.319 3.991 338 HD21 ASN 74 HD2 ASN 74 11.573 -4.854 7.127 339 HD21 ASN 74 HD2 ASN 74 12.804 -4.056 8.048 340 HA PRO 75 HA PRO 75 9.209 0.396 3.870 341 HB2 PRO 75 HB2 PRO 75 7.012 1.144 5.297 342 HB3 PRO 75 HB3 PRO 75 6.916 -0.071 3.981 343 HG2 PRO 75 HG2 PRO 75 6.965 -0.482 6.867 344 HG3 PRO 75 HG3 PRO 75 6.022 -1.400 5.647 345 HD2 PRO 75 HD2 PRO 75 8.453 -2.232 6.842 346 HD3 PRO 75 HD3 PRO 75 7.805 -2.858 5.295 347 H GLY 76 HN GLY 76 8.945 2.694 5.036 348 HA2 GLY 76 HA1 GLY 76 10.947 2.719 7.145 349 HA3 GLY 76 HA2 GLY 76 10.298 4.088 6.265 350 HA PRO 77 HA PRO 77 8.555 4.058 10.596 351 HB2 PRO 77 HB2 PRO 77 8.880 6.809 10.861 352 HB3 PRO 77 HB3 PRO 77 10.136 5.597 11.273 353 HG2 PRO 77 HG2 PRO 77 9.731 7.120 8.884 354 HG3 PRO 77 HG3 PRO 77 11.356 6.978 9.632 355 HD2 PRO 77 HD2 PRO 77 10.829 5.458 7.524 356 HD3 PRO 77 HD3 PRO 77 11.487 4.635 8.971 357 H GLY 78 HN GLY 78 6.439 4.931 11.240 358 HA2 GLY 78 HA1 GLY 78 4.548 6.245 10.846 359 HA3 GLY 78 HA2 GLY 78 5.033 6.472 9.177 360 H MET 79 HN MET 79 5.697 3.627 8.665 361 HA MET 79 HA MET 79 2.982 2.557 8.784 362 HB2 MET 79 HB2 MET 79 4.107 3.366 6.494 363 HB3 MET 79 HB3 MET 79 4.988 1.855 6.602 364 HG2 MET 79 HG2 MET 79 2.992 0.538 6.472 365 HG3 MET 79 HG3 MET 79 1.961 1.892 6.893 366 HE1 MET 79 HE1 MET 79 3.039 0.492 2.806 367 HE2 MET 79 HE2 MET 79 4.203 0.249 4.131 368 HE3 MET 79 HE3 MET 79 2.537 -0.359 4.287 369 HA PRO 80 HA PRO 80 4.635 -0.792 11.106 370 HB2 PRO 80 HB2 PRO 80 2.426 -2.322 9.735 371 HB3 PRO 80 HB3 PRO 80 2.783 -2.093 11.477 372 HG2 PRO 80 HG2 PRO 80 0.714 -0.745 10.282 373 HG3 PRO 80 HG3 PRO 80 1.815 -0.230 11.601 374 HD2 PRO 80 HD2 PRO 80 1.844 0.465 8.625 375 HD3 PRO 80 HD3 PRO 80 2.106 1.538 10.033 376 H ALA 81 HN ALA 81 4.050 -3.550 9.888 377 HA ALA 81 HA ALA 81 5.621 -3.446 7.453 378 HB1 ALA 81 HB1 ALA 81 6.539 -4.829 10.003 379 HB2 ALA 81 HB2 ALA 81 7.238 -5.129 8.394 380 HB3 ALA 81 HB3 ALA 81 7.367 -3.515 9.134 381 H PHE 82 HN PHE 82 5.862 -5.835 6.607 382 HA PHE 82 HA PHE 82 3.797 -7.594 7.562 383 HB2 PHE 82 HB2 PHE 82 3.809 -6.284 4.776 384 HB3 PHE 82 HB3 PHE 82 2.753 -7.611 5.217 385 HD1 PHE 82 HD1 PHE 82 3.480 -4.050 5.795 386 HD2 PHE 82 HD2 PHE 82 0.781 -7.242 6.524 387 HE1 PHE 82 HE1 PHE 82 1.769 -2.413 6.626 388 HE2 PHE 82 HE2 PHE 82 -0.931 -5.605 7.355 389 HZ PHE 82 HZ PHE 82 -0.416 -3.210 7.396 390 H GLY 83 HN GLY 83 5.042 -9.413 7.731 391 HA2 GLY 83 HA1 GLY 83 6.948 -9.986 5.560 392 HA3 GLY 83 HA2 GLY 83 6.985 -10.640 7.185 393 H GLU 84 HN GLU 84 7.207 -12.721 5.844 394 HA GLU 84 HA GLU 84 4.832 -13.576 4.532 395 HB2 GLU 84 HB2 GLU 84 6.080 -15.693 4.191 396 HB3 GLU 84 HB3 GLU 84 7.037 -14.301 3.722 397 HG2 GLU 84 HG2 GLU 84 8.594 -14.656 5.364 398 HG3 GLU 84 HG3 GLU 84 7.380 -15.023 6.573 399 HE2 GLU 84 HE2 GLU 84 6.426 -17.358 6.230 400 H ALA 85 HN ALA 85 5.356 -13.025 7.693 401 HA ALA 85 HA ALA 85 4.723 -15.475 8.926 402 HB1 ALA 85 HB1 ALA 85 5.769 -13.742 10.204 403 HB2 ALA 85 HB2 ALA 85 4.513 -12.561 9.761 404 HB3 ALA 85 HB3 ALA 85 4.120 -13.911 10.852 405 H MET 86 HN MET 86 2.767 -12.697 7.711 406 HA MET 86 HA MET 86 0.417 -14.357 8.205 407 HB2 MET 86 HB2 MET 86 0.699 -12.048 9.398 408 HB3 MET 86 HB3 MET 86 0.480 -11.320 7.819 409 HG2 MET 86 HG2 MET 86 -1.757 -12.243 7.600 410 HG3 MET 86 HG3 MET 86 -1.533 -13.295 8.983 411 HE1 MET 86 HE1 MET 86 -1.045 -10.848 11.873 412 HE2 MET 86 HE2 MET 86 -2.184 -12.205 11.701 413 HE3 MET 86 HE3 MET 86 -0.521 -12.356 11.085 414 H ILE 87 HN ILE 87 1.756 -11.790 6.001 415 HA ILE 87 HA ILE 87 0.241 -13.080 3.838 416 HB ILE 87 HB ILE 87 1.056 -10.182 4.065 417 HG12 ILE 87 HG1 ILE 87 -1.377 -11.646 4.958 418 HG13 ILE 87 HG1 ILE 87 -0.601 -10.228 5.635 419 HG22 ILE 87 HG2 ILE 87 -0.929 -11.350 2.125 420 HG22 ILE 87 HG2 ILE 87 -0.077 -9.788 2.066 421 HG22 ILE 87 HG2 ILE 87 0.812 -11.299 1.759 422 HD11 ILE 87 HD1 ILE 87 -1.396 -8.927 3.576 423 HD11 ILE 87 HD1 ILE 87 -2.367 -10.358 3.155 424 HD11 ILE 87 HD1 ILE 87 -2.683 -9.483 4.673 425 HA PRO 88 HA PRO 88 4.332 -14.098 2.466 426 HB2 PRO 88 HB2 PRO 88 3.547 -15.643 0.360 427 HB3 PRO 88 HB3 PRO 88 3.333 -16.175 2.059 428 HG2 PRO 88 HG2 PRO 88 1.659 -14.847 0.332 429 HG3 PRO 88 HG3 PRO 88 0.923 -16.269 1.141 430 HD2 PRO 88 HD2 PRO 88 0.269 -13.921 2.107 431 HD3 PRO 88 HD3 PRO 88 0.964 -15.069 3.292 432 HA PRO 89 HA PRO 89 5.241 -10.804 -0.305 433 HB2 PRO 89 HB2 PRO 89 6.933 -12.934 -1.657 434 HB3 PRO 89 HB3 PRO 89 7.344 -11.262 -1.153 435 HG2 PRO 89 HG2 PRO 89 8.120 -13.424 0.472 436 HG3 PRO 89 HG3 PRO 89 7.593 -11.739 0.790 437 HD2 PRO 89 HD2 PRO 89 6.093 -14.371 1.119 438 HD3 PRO 89 HD3 PRO 89 6.064 -12.916 2.161 439 H ALA 90 HN ALA 90 4.737 -14.127 -1.754 440 HA ALA 90 HA ALA 90 4.026 -13.217 -4.275 441 HB1 ALA 90 HB1 ALA 90 3.672 -15.431 -4.673 442 HB2 ALA 90 HB2 ALA 90 4.404 -15.637 -3.063 443 HB3 ALA 90 HB3 ALA 90 2.632 -15.627 -3.241 444 H ASP 91 HN ASP 91 2.086 -13.713 -1.278 445 HA ASP 91 HA ASP 91 -0.356 -13.198 -2.539 446 HB2 ASP 91 HB2 ASP 91 0.614 -13.146 0.340 447 HB3 ASP 91 HB3 ASP 91 -1.024 -12.660 -0.048 448 HD2 ASP 91 HD2 ASP 91 -1.481 -15.213 1.288 449 H ALA 92 HN ALA 92 2.339 -11.228 -1.780 450 HA ALA 92 HA ALA 92 0.841 -8.851 -1.119 451 HB1 ALA 92 HB1 ALA 92 3.475 -9.814 -0.743 452 HB2 ALA 92 HB2 ALA 92 3.618 -8.416 -1.836 453 HB3 ALA 92 HB3 ALA 92 2.821 -8.232 -0.255 454 H LEU 93 HN LEU 93 2.535 -10.342 -3.914 455 HA LEU 93 HA LEU 93 2.454 -8.098 -5.574 456 HB2 LEU 93 HB2 LEU 93 2.565 -11.060 -6.122 457 HB3 LEU 93 HB3 LEU 93 2.630 -9.857 -7.395 458 HG LEU 93 HG LEU 93 4.592 -9.914 -5.091 459 HD11 LEU 93 HD1 LEU 93 5.440 -11.784 -5.951 460 HD11 LEU 93 HD1 LEU 93 4.406 -11.685 -7.397 461 HD11 LEU 93 HD1 LEU 93 5.949 -10.799 -7.344 462 HD22 LEU 93 HD2 LEU 93 4.104 -7.864 -6.736 463 HD22 LEU 93 HD2 LEU 93 5.731 -8.247 -6.126 464 HD22 LEU 93 HD2 LEU 93 5.248 -8.767 -7.758 465 H LYS 94 HN LYS 94 -0.069 -10.049 -4.281 466 HA LYS 94 HA LYS 94 -1.845 -9.582 -6.517 467 HB2 LYS 94 HB2 LYS 94 -2.006 -11.724 -5.455 468 HB3 LYS 94 HB3 LYS 94 -2.151 -11.006 -3.864 469 HG2 LYS 94 HG2 LYS 94 -4.204 -9.846 -5.518 470 HG3 LYS 94 HG3 LYS 94 -4.245 -11.578 -5.777 471 HD2 LYS 94 HD2 LYS 94 -3.905 -10.889 -2.927 472 HD3 LYS 94 HD3 LYS 94 -5.369 -10.202 -3.602 473 HE2 LYS 94 HE2 LYS 94 -4.794 -13.062 -4.314 474 HE3 LYS 94 HE3 LYS 94 -5.228 -12.750 -2.645 475 HZ1 LYS 94 HZ1 LYS 94 -7.161 -11.409 -3.687 476 HZ2 LYS 94 HZ2 LYS 94 -6.848 -12.235 -5.055 477 H ILE 95 HN ILE 95 -0.941 -8.174 -3.410 478 HA ILE 95 HA ILE 95 -3.330 -6.652 -3.124 479 HB ILE 95 HB ILE 95 -0.622 -6.247 -1.852 480 HG12 ILE 95 HG1 ILE 95 -1.520 -8.574 -1.597 481 HG13 ILE 95 HG1 ILE 95 -1.276 -7.705 -0.095 482 HG22 ILE 95 HG2 ILE 95 -3.226 -5.551 -0.554 483 HG22 ILE 95 HG2 ILE 95 -1.608 -4.843 -0.334 484 HG22 ILE 95 HG2 ILE 95 -2.557 -4.459 -1.790 485 HD11 ILE 95 HD1 ILE 95 -3.496 -7.743 0.421 486 HD11 ILE 95 HD1 ILE 95 -3.973 -7.279 -1.229 487 HD11 ILE 95 HD1 ILE 95 -3.627 -8.983 -0.849 488 H GLY 96 HN GLY 96 -0.019 -6.073 -4.436 489 HA2 GLY 96 HA1 GLY 96 -0.093 -3.384 -4.896 490 HA3 GLY 96 HA2 GLY 96 0.701 -4.552 -5.933 491 H GLU 97 HN GLU 97 -1.976 -5.948 -6.482 492 HA GLU 97 HA GLU 97 -2.557 -4.510 -8.802 493 HB2 GLU 97 HB2 GLU 97 -4.369 -6.605 -7.553 494 HB3 GLU 97 HB3 GLU 97 -4.162 -6.237 -9.254 495 HG2 GLU 97 HG2 GLU 97 -1.660 -6.922 -8.898 496 HG3 GLU 97 HG3 GLU 97 -2.203 -7.630 -7.390 497 HE2 GLU 97 HE2 GLU 97 -3.994 -10.021 -8.428 498 H TYR 98 HN TYR 98 -4.330 -5.027 -5.738 499 HA TYR 98 HA TYR 98 -6.664 -3.617 -6.248 500 HB2 TYR 98 HB2 TYR 98 -6.093 -4.929 -4.197 501 HB3 TYR 98 HB3 TYR 98 -5.061 -3.588 -3.671 502 HD1 TYR 98 HD1 TYR 98 -5.958 -2.004 -2.239 503 HD2 TYR 98 HD2 TYR 98 -8.587 -4.222 -4.812 504 HE1 TYR 98 HE1 TYR 98 -7.916 -0.911 -1.180 505 HE2 TYR 98 HE2 TYR 98 -10.545 -3.129 -3.753 506 HH TYR 98 HH TYR 98 -10.216 -0.511 -1.399 507 H VAL 99 HN VAL 99 -3.360 -2.353 -5.788 508 HA VAL 99 HA VAL 99 -4.431 0.341 -5.522 509 HB VAL 99 HB VAL 99 -1.646 -0.823 -5.367 510 HG11 VAL 99 HG1 VAL 99 -1.330 1.644 -4.345 511 HG11 VAL 99 HG1 VAL 99 -1.051 1.264 -6.061 512 HG11 VAL 99 HG1 VAL 99 -2.591 1.997 -5.551 513 HG22 VAL 99 HG2 VAL 99 -2.007 -1.074 -3.178 514 HG22 VAL 99 HG2 VAL 99 -2.598 0.599 -3.026 515 HG22 VAL 99 HG2 VAL 99 -3.723 -0.705 -3.478 516 H VAL 100 HN VAL 100 -4.867 -1.264 -7.985 517 HA VAL 100 HA VAL 100 -3.658 0.651 -9.815 518 HB VAL 100 HB VAL 100 -3.433 -2.353 -10.013 519 HG11 VAL 100 HG1 VAL 100 -2.207 -1.612 -12.247 520 HG11 VAL 100 HG1 VAL 100 -3.960 -1.920 -12.207 521 HG11 VAL 100 HG1 VAL 100 -3.348 -0.249 -12.143 522 HG22 VAL 100 HG2 VAL 100 -0.984 -1.248 -10.620 523 HG22 VAL 100 HG2 VAL 100 -1.599 -0.148 -9.364 524 HG22 VAL 100 HG2 VAL 100 -1.463 -1.891 -9.031 525 H ALA 101 HN ALA 101 -6.353 -0.183 -8.453 526 HA ALA 101 HA ALA 101 -7.852 -0.161 -10.974 527 HB1 ALA 101 HB1 ALA 101 -8.010 -2.428 -10.192 528 HB2 ALA 101 HB2 ALA 101 -8.315 -1.896 -8.521 529 HB3 ALA 101 HB3 ALA 101 -9.546 -1.630 -9.779 530 H SER 102 HN SER 102 -7.111 2.176 -9.719 531 HA SER 102 HA SER 102 -9.568 3.328 -9.224 532 HB2 SER 102 HB2 SER 102 -8.340 2.138 -6.871 533 HB3 SER 102 HB3 SER 102 -8.412 3.877 -6.675 534 HG SER 102 HG SER 102 -10.498 1.987 -6.786 535 H PHE 103 HN PHE 103 -6.021 3.313 -8.676 536 HA PHE 103 HA PHE 103 -5.787 5.832 -9.980 537 HB2 PHE 103 HB2 PHE 103 -4.426 6.536 -7.708 538 HB3 PHE 103 HB3 PHE 103 -6.113 6.951 -7.938 539 HD1 PHE 103 HD1 PHE 103 -4.439 3.748 -6.984 540 HD2 PHE 103 HD2 PHE 103 -7.201 6.787 -5.914 541 HE1 PHE 103 HE1 PHE 103 -5.036 2.473 -4.907 542 HE2 PHE 103 HE2 PHE 103 -7.798 5.511 -3.836 543 HZ PHE 103 HZ PHE 103 -6.708 3.370 -3.357 544 HA PRO 104 HA PRO 104 -2.137 3.066 -10.245 545 HB2 PRO 104 HB2 PRO 104 -2.248 2.527 -12.904 546 HB3 PRO 104 HB3 PRO 104 -3.336 1.707 -11.738 547 HG2 PRO 104 HG2 PRO 104 -3.771 3.890 -13.437 548 HG3 PRO 104 HG3 PRO 104 -5.069 2.674 -13.204 549 HD2 PRO 104 HD2 PRO 104 -5.091 5.169 -12.007 550 HD3 PRO 104 HD3 PRO 104 -5.792 3.723 -11.218 Start of MODEL 13 1 H ALA 25 HN ALA 25 -12.609 -7.205 -7.550 2 HA ALA 25 HA ALA 25 -12.108 -7.524 -5.276 3 HB1 ALA 25 HB1 ALA 25 -14.401 -8.322 -6.285 4 HB2 ALA 25 HB2 ALA 25 -13.796 -9.949 -5.889 5 HB3 ALA 25 HB3 ALA 25 -13.989 -8.733 -4.603 6 H GLY 26 HN GLY 26 -10.961 -8.636 -3.668 7 HA2 GLY 26 HA1 GLY 26 -10.208 -11.085 -3.254 8 HA3 GLY 26 HA2 GLY 26 -9.245 -10.791 -4.687 9 H GLY 27 HN GLY 27 -7.655 -8.980 -4.665 10 HA2 GLY 27 HA1 GLY 27 -6.066 -8.983 -2.374 11 HA3 GLY 27 HA2 GLY 27 -5.950 -7.865 -3.718 12 H GLY 28 HN GLY 28 -8.875 -7.010 -3.283 13 HA2 GLY 28 HA1 GLY 28 -8.341 -4.773 -1.642 14 HA3 GLY 28 HA2 GLY 28 -9.893 -5.267 -2.289 15 H GLU 29 HN GLU 29 -10.103 -7.892 -1.124 16 HA GLU 29 HA GLU 29 -11.225 -7.248 1.289 17 HB2 GLU 29 HB2 GLU 29 -11.747 -9.277 -0.076 18 HB3 GLU 29 HB3 GLU 29 -10.198 -9.969 0.365 19 HG2 GLU 29 HG2 GLU 29 -11.154 -10.825 2.232 20 HG3 GLU 29 HG3 GLU 29 -11.383 -9.192 2.828 21 HE2 GLU 29 HE2 GLU 29 -14.129 -11.603 1.691 22 H LEU 30 HN LEU 30 -7.892 -8.128 0.447 23 HA LEU 30 HA LEU 30 -7.154 -8.647 3.173 24 HB2 LEU 30 HB2 LEU 30 -5.422 -8.261 0.729 25 HB3 LEU 30 HB3 LEU 30 -4.921 -8.920 2.273 26 HG LEU 30 HG LEU 30 -6.860 -10.175 0.314 27 HD11 LEU 30 HD1 LEU 30 -4.642 -10.436 -0.484 28 HD11 LEU 30 HD1 LEU 30 -4.029 -10.847 1.136 29 HD11 LEU 30 HD1 LEU 30 -5.097 -11.981 0.275 30 HD22 LEU 30 HD2 LEU 30 -6.005 -11.129 3.059 31 HD22 LEU 30 HD2 LEU 30 -7.642 -10.662 2.541 32 HD22 LEU 30 HD2 LEU 30 -6.874 -12.116 1.860 33 H PHE 31 HN PHE 31 -6.875 -5.976 0.773 34 HA PHE 31 HA PHE 31 -5.302 -4.347 2.459 35 HB2 PHE 31 HB2 PHE 31 -5.346 -3.969 0.054 36 HB3 PHE 31 HB3 PHE 31 -7.097 -4.020 0.003 37 HD1 PHE 31 HD1 PHE 31 -4.207 -1.927 0.333 38 HD2 PHE 31 HD2 PHE 31 -8.390 -2.093 1.028 39 HE1 PHE 31 HE1 PHE 31 -4.283 0.578 0.468 40 HE2 PHE 31 HE2 PHE 31 -8.466 0.412 1.164 41 HZ PHE 31 HZ PHE 31 -6.412 1.718 0.882 42 H ALA 32 HN ALA 32 -8.776 -4.985 2.145 43 HA ALA 32 HA ALA 32 -9.434 -2.634 3.716 44 HB1 ALA 32 HB1 ALA 32 -10.705 -3.847 1.660 45 HB2 ALA 32 HB2 ALA 32 -11.473 -4.700 3.021 46 HB3 ALA 32 HB3 ALA 32 -11.561 -2.925 2.918 47 H THR 33 HN THR 33 -7.683 -4.245 5.130 48 HA THR 33 HA THR 33 -9.210 -4.822 7.437 49 HB THR 33 HB THR 33 -8.403 -7.094 5.591 50 HG1 THR 33 HG1 THR 33 -10.622 -6.702 5.657 51 HG22 THR 33 HG2 THR 33 -9.212 -8.286 7.979 52 HG22 THR 33 HG2 THR 33 -7.533 -8.236 7.391 53 HG22 THR 33 HG2 THR 33 -8.108 -7.010 8.547 54 H HIS 34 HN HIS 34 -6.177 -5.276 5.569 55 HA HIS 34 HA HIS 34 -4.737 -5.029 8.099 56 HB2 HIS 34 HB2 HIS 34 -3.692 -5.892 5.388 57 HB3 HIS 34 HB3 HIS 34 -2.815 -5.925 6.905 58 HD1 HIS 34 HD1 HIS 34 -3.700 -7.688 8.748 59 HD2 HIS 34 HD2 HIS 34 -5.260 -8.122 4.879 60 HE1 HIS 34 HE1 HIS 34 -4.728 -10.022 8.649 61 H CYS 35 HN CYS 35 -5.929 -3.183 5.535 62 HA CYS 35 HA CYS 35 -3.824 -1.198 5.989 63 HB2 CYS 35 HB2 CYS 35 -5.326 -1.363 3.392 64 HB3 CYS 35 HB3 CYS 35 -3.837 -0.513 3.754 65 H ALA 36 HN ALA 36 -7.249 -1.933 5.075 66 HA ALA 36 HA ALA 36 -8.419 0.453 4.999 67 HB1 ALA 36 HB1 ALA 36 -10.128 -1.006 4.925 68 HB2 ALA 36 HB2 ALA 36 -9.166 -2.251 5.757 69 HB3 ALA 36 HB3 ALA 36 -10.087 -1.058 6.704 70 H GLY 37 HN GLY 37 -6.986 -1.091 7.879 71 HA2 GLY 37 HA1 GLY 37 -8.051 0.890 9.694 72 HA3 GLY 37 HA2 GLY 37 -6.934 -0.410 10.056 73 H CYS 38 HN CYS 38 -6.757 2.270 7.610 74 HA CYS 38 HA CYS 38 -5.127 3.974 8.921 75 HB2 CYS 38 HB2 CYS 38 -3.653 1.549 8.292 76 HB3 CYS 38 HB3 CYS 38 -2.952 2.930 7.474 77 H HIS 39 HN HIS 39 -5.914 2.137 5.974 78 HA HIS 39 HA HIS 39 -5.538 4.607 4.442 79 HB2 HIS 39 HB2 HIS 39 -5.149 1.717 3.665 80 HB3 HIS 39 HB3 HIS 39 -5.409 2.962 2.459 81 HD1 HIS 39 HD1 HIS 39 -3.616 5.138 2.810 82 HD2 HIS 39 HD2 HIS 39 -2.507 1.345 4.217 83 HE1 HIS 39 HE1 HIS 39 -1.077 5.181 3.058 84 HA PRO 40 HA PRO 40 -10.041 3.420 4.706 85 HB2 PRO 40 HB2 PRO 40 -10.964 5.651 5.931 86 HB3 PRO 40 HB3 PRO 40 -10.137 4.361 6.862 87 HG2 PRO 40 HG2 PRO 40 -8.606 7.026 5.844 88 HG3 PRO 40 HG3 PRO 40 -8.929 6.198 7.402 89 HD2 PRO 40 HD2 PRO 40 -6.750 5.661 5.714 90 HD3 PRO 40 HD3 PRO 40 -7.438 4.476 6.865 91 H GLN 41 HN GLN 41 -10.913 3.686 2.651 92 HA GLN 41 HA GLN 41 -11.385 4.585 0.726 93 HB2 GLN 41 HB2 GLN 41 -12.051 6.649 2.737 94 HB3 GLN 41 HB3 GLN 41 -11.842 7.304 1.125 95 HG2 GLN 41 HG2 GLN 41 -13.483 5.703 0.210 96 HG3 GLN 41 HG3 GLN 41 -13.621 4.905 1.764 97 HE21 GLN 41 HE2 GLN 41 -15.618 5.294 2.400 98 HE21 GLN 41 HE2 GLN 41 -16.363 6.848 2.576 99 H GLY 42 HN GLY 42 -8.801 4.167 0.630 100 HA2 GLY 42 HA1 GLY 42 -6.770 4.851 -0.083 101 HA3 GLY 42 HA2 GLY 42 -7.700 5.819 -1.209 102 H GLY 43 HN GLY 43 -7.862 6.311 2.328 103 HA2 GLY 43 HA1 GLY 43 -6.643 8.966 1.928 104 HA3 GLY 43 HA2 GLY 43 -7.784 8.524 3.183 105 H ASN 44 HN ASN 44 -6.298 9.333 4.818 106 HA ASN 44 HA ASN 44 -4.411 7.294 5.547 107 HB2 ASN 44 HB2 ASN 44 -3.636 10.222 5.105 108 HB3 ASN 44 HB3 ASN 44 -2.654 9.119 6.049 109 HD21 ASN 44 HD2 ASN 44 -1.253 7.835 5.073 110 HD21 ASN 44 HD2 ASN 44 -1.103 7.583 3.366 111 H THR 45 HN THR 45 -4.091 7.278 7.876 112 HA THR 45 HA THR 45 -5.796 9.200 9.317 113 HB THR 45 HB THR 45 -5.758 7.233 11.041 114 HG1 THR 45 HG1 THR 45 -4.637 5.478 10.273 115 HG22 THR 45 HG2 THR 45 -6.947 6.508 8.322 116 HG22 THR 45 HG2 THR 45 -7.543 6.035 9.931 117 HG22 THR 45 HG2 THR 45 -7.693 7.723 9.387 118 H VAL 46 HN VAL 46 -2.595 8.486 8.555 119 HA VAL 46 HA VAL 46 -1.699 9.561 11.139 120 HB VAL 46 HB VAL 46 -0.277 7.844 9.096 121 HG11 VAL 46 HG1 VAL 46 1.611 8.771 9.868 122 HG11 VAL 46 HG1 VAL 46 0.759 9.604 11.190 123 HG11 VAL 46 HG1 VAL 46 1.283 7.915 11.394 124 HG22 VAL 46 HG2 VAL 46 -1.418 6.248 10.230 125 HG22 VAL 46 HG2 VAL 46 -0.135 6.487 11.441 126 HG22 VAL 46 HG2 VAL 46 -1.707 7.300 11.637 127 H HIS 47 HN HIS 47 -0.948 9.552 7.580 128 HA HIS 47 HA HIS 47 -0.131 12.344 7.938 129 HB2 HIS 47 HB2 HIS 47 0.914 10.221 6.052 130 HB3 HIS 47 HB3 HIS 47 1.265 11.927 5.860 131 HD1 HIS 47 HD1 HIS 47 3.758 10.550 6.215 132 HD2 HIS 47 HD2 HIS 47 1.385 11.425 9.561 133 HE1 HIS 47 HE1 HIS 47 5.312 10.458 8.237 134 HA PRO 48 HA PRO 48 -3.702 12.893 5.316 135 HB2 PRO 48 HB2 PRO 48 -4.231 15.436 5.969 136 HB3 PRO 48 HB3 PRO 48 -4.380 14.153 7.213 137 HG2 PRO 48 HG2 PRO 48 -2.187 15.789 6.573 138 HG3 PRO 48 HG3 PRO 48 -2.606 15.769 8.317 139 HD2 PRO 48 HD2 PRO 48 -0.567 14.274 7.522 140 HD3 PRO 48 HD3 PRO 48 -1.823 13.468 8.509 141 H GLU 49 HN GLU 49 -0.583 13.352 4.674 142 HA GLU 49 HA GLU 49 -1.202 15.129 2.451 143 HB2 GLU 49 HB2 GLU 49 1.116 16.047 2.612 144 HB3 GLU 49 HB3 GLU 49 0.147 16.416 4.025 145 HG2 GLU 49 HG2 GLU 49 1.309 14.900 5.399 146 HG3 GLU 49 HG3 GLU 49 1.806 13.892 4.054 147 HE2 GLU 49 HE2 GLU 49 3.774 16.639 2.892 148 H LYS 50 HN LYS 50 -0.623 12.035 3.328 149 HA LYS 50 HA LYS 50 0.901 11.511 0.875 150 HB2 LYS 50 HB2 LYS 50 1.162 9.899 3.424 151 HB3 LYS 50 HB3 LYS 50 2.101 9.737 1.954 152 HG2 LYS 50 HG2 LYS 50 2.298 12.484 2.766 153 HG3 LYS 50 HG3 LYS 50 2.551 11.513 4.202 154 HD2 LYS 50 HD2 LYS 50 4.341 10.242 3.109 155 HD3 LYS 50 HD3 LYS 50 4.006 11.005 1.567 156 HE2 LYS 50 HE2 LYS 50 5.240 12.850 2.095 157 HE3 LYS 50 HE3 LYS 50 4.476 13.012 3.664 158 HZ1 LYS 50 HZ1 LYS 50 6.461 12.316 4.451 159 HZ2 LYS 50 HZ2 LYS 50 6.053 10.814 3.972 160 H THR 51 HN THR 51 -1.121 11.290 -0.248 161 HA THR 51 HA THR 51 -2.837 9.116 0.701 162 HB THR 51 HB THR 51 -4.505 10.129 -0.710 163 HG1 THR 51 HG1 THR 51 -2.262 11.692 -1.770 164 HG22 THR 51 HG2 THR 51 -3.180 12.740 -0.342 165 HG22 THR 51 HG2 THR 51 -4.703 12.146 0.363 166 HG22 THR 51 HG2 THR 51 -3.151 11.762 1.145 167 H LEU 52 HN LEU 52 -3.886 7.940 -1.403 168 HA LEU 52 HA LEU 52 -1.570 6.636 -2.581 169 HB2 LEU 52 HB2 LEU 52 -4.494 5.891 -2.462 170 HB3 LEU 52 HB3 LEU 52 -3.265 4.947 -3.280 171 HG LEU 52 HG LEU 52 -3.325 5.563 -0.313 172 HD11 LEU 52 HD1 LEU 52 -3.499 2.774 -0.897 173 HD11 LEU 52 HD1 LEU 52 -4.670 3.821 -0.061 174 HD11 LEU 52 HD1 LEU 52 -4.752 3.628 -1.828 175 HD22 LEU 52 HD2 LEU 52 -1.483 3.959 -0.126 176 HD22 LEU 52 HD2 LEU 52 -1.442 3.794 -1.898 177 HD22 LEU 52 HD2 LEU 52 -1.039 5.353 -1.139 178 H ALA 53 HN ALA 53 -2.782 9.413 -3.310 179 HA ALA 53 HA ALA 53 -3.771 8.970 -5.970 180 HB1 ALA 53 HB1 ALA 53 -4.571 10.816 -4.519 181 HB2 ALA 53 HB2 ALA 53 -2.933 11.512 -4.518 182 HB3 ALA 53 HB3 ALA 53 -3.862 11.425 -6.034 183 H ARG 54 HN ARG 54 -2.603 8.919 -7.845 184 HA ARG 54 HA ARG 54 0.035 8.436 -7.838 185 HB2 ARG 54 HB2 ARG 54 -1.526 8.109 -9.781 186 HB3 ARG 54 HB3 ARG 54 -1.541 9.840 -10.055 187 HG2 ARG 54 HG2 ARG 54 1.056 9.653 -10.237 188 HG3 ARG 54 HG3 ARG 54 0.803 7.923 -10.361 189 HD2 ARG 54 HD2 ARG 54 0.778 8.553 -12.624 190 HD3 ARG 54 HD3 ARG 54 -0.934 8.558 -12.253 191 HE ARG 54 HE ARG 54 0.789 10.943 -12.639 192 H ALA 55 HN ALA 55 -1.629 11.620 -8.309 193 HA ALA 55 HA ALA 55 0.400 13.239 -8.997 194 HB1 ALA 55 HB1 ALA 55 -0.809 14.995 -7.660 195 HB2 ALA 55 HB2 ALA 55 -1.876 14.021 -8.700 196 HB3 ALA 55 HB3 ALA 55 -1.804 13.701 -6.951 197 H ARG 56 HN ARG 56 -0.326 12.019 -5.667 198 HA ARG 56 HA ARG 56 1.997 13.346 -4.679 199 HB2 ARG 56 HB2 ARG 56 -0.139 11.554 -3.464 200 HB3 ARG 56 HB3 ARG 56 1.304 11.939 -2.547 201 HG2 ARG 56 HG2 ARG 56 -0.152 14.228 -3.858 202 HG3 ARG 56 HG3 ARG 56 -0.910 13.486 -2.463 203 HD2 ARG 56 HD2 ARG 56 1.345 13.771 -1.237 204 HD3 ARG 56 HD3 ARG 56 1.862 14.756 -2.591 205 HE ARG 56 HE ARG 56 0.576 16.499 -1.735 206 H ARG 57 HN ARG 57 0.874 9.993 -5.405 207 HA ARG 57 HA ARG 57 2.997 8.651 -4.324 208 HB2 ARG 57 HB2 ARG 57 0.749 8.071 -6.023 209 HB3 ARG 57 HB3 ARG 57 2.155 7.355 -6.787 210 HG2 ARG 57 HG2 ARG 57 2.131 5.664 -5.281 211 HG3 ARG 57 HG3 ARG 57 2.366 6.808 -3.974 212 HD2 ARG 57 HD2 ARG 57 0.279 6.269 -3.250 213 HD3 ARG 57 HD3 ARG 57 -0.351 7.129 -4.641 214 HE ARG 57 HE ARG 57 -0.065 4.200 -4.364 215 H GLU 58 HN GLU 58 2.878 10.799 -7.038 216 HA GLU 58 HA GLU 58 4.997 9.570 -8.480 217 HB2 GLU 58 HB2 GLU 58 4.502 11.096 -10.116 218 HB3 GLU 58 HB3 GLU 58 3.025 11.290 -9.193 219 HG2 GLU 58 HG2 GLU 58 4.039 13.199 -7.946 220 HG3 GLU 58 HG3 GLU 58 5.535 12.995 -8.835 221 HE2 GLU 58 HE2 GLU 58 5.313 15.022 -9.998 222 H ALA 59 HN ALA 59 4.602 12.431 -6.299 223 HA ALA 59 HA ALA 59 7.129 13.473 -6.489 224 HB1 ALA 59 HB1 ALA 59 6.490 14.742 -4.685 225 HB2 ALA 59 HB2 ALA 59 4.896 14.070 -5.105 226 HB3 ALA 59 HB3 ALA 59 5.849 13.343 -3.789 227 H ASN 60 HN ASN 60 5.929 10.918 -4.201 228 HA ASN 60 HA ASN 60 8.528 10.503 -3.189 229 HB2 ASN 60 HB2 ASN 60 5.860 9.056 -2.948 230 HB3 ASN 60 HB3 ASN 60 7.309 8.325 -2.287 231 HD21 ASN 60 HD2 ASN 60 6.303 11.726 -2.523 232 HD21 ASN 60 HD2 ASN 60 6.327 12.084 -0.829 233 H GLY 61 HN GLY 61 6.469 9.186 -5.784 234 HA2 GLY 61 HA1 GLY 61 7.158 7.990 -7.611 235 HA3 GLY 61 HA2 GLY 61 8.709 7.687 -6.854 236 H ILE 62 HN ILE 62 5.205 6.805 -6.681 237 HA ILE 62 HA ILE 62 6.049 4.090 -6.024 238 HB ILE 62 HB ILE 62 3.957 5.646 -4.498 239 HG12 ILE 62 HG1 ILE 62 6.777 4.816 -3.869 240 HG13 ILE 62 HG1 ILE 62 5.999 6.368 -3.634 241 HG22 ILE 62 HG2 ILE 62 3.126 3.740 -3.691 242 HG22 ILE 62 HG2 ILE 62 3.940 2.945 -5.060 243 HG22 ILE 62 HG2 ILE 62 4.740 3.022 -3.472 244 HD11 ILE 62 HD1 ILE 62 5.899 3.912 -1.926 245 HD11 ILE 62 HD1 ILE 62 5.891 5.628 -1.453 246 HD11 ILE 62 HD1 ILE 62 4.397 4.860 -2.040 247 H ARG 63 HN ARG 63 5.555 4.636 -8.559 248 HA ARG 63 HA ARG 63 2.724 4.064 -8.907 249 HB2 ARG 63 HB2 ARG 63 2.947 4.974 -11.180 250 HB3 ARG 63 HB3 ARG 63 3.586 6.139 -10.038 251 HG2 ARG 63 HG2 ARG 63 5.669 6.024 -10.944 252 HG3 ARG 63 HG3 ARG 63 5.683 4.273 -10.867 253 HD2 ARG 63 HD2 ARG 63 5.798 4.677 -13.192 254 HD3 ARG 63 HD3 ARG 63 4.089 4.372 -12.952 255 HE ARG 63 HE ARG 63 4.849 7.202 -12.697 256 H THR 64 HN THR 64 3.934 1.836 -8.113 257 HA THR 64 HA THR 64 4.018 0.211 -10.489 258 HB THR 64 HB THR 64 6.299 -0.700 -9.937 259 HG1 THR 64 HG1 THR 64 6.117 1.581 -8.095 260 HG22 THR 64 HG2 THR 64 6.057 1.332 -11.514 261 HG22 THR 64 HG2 THR 64 6.439 2.349 -10.105 262 HG22 THR 64 HG2 THR 64 7.635 1.175 -10.705 263 H VAL 65 HN VAL 65 3.502 -1.945 -10.101 264 HA VAL 65 HA VAL 65 2.007 -2.401 -7.787 265 HB VAL 65 HB VAL 65 3.083 -4.127 -10.003 266 HG11 VAL 65 HG1 VAL 65 2.112 -5.014 -7.398 267 HG11 VAL 65 HG1 VAL 65 1.112 -5.634 -8.734 268 HG11 VAL 65 HG1 VAL 65 2.865 -5.944 -8.715 269 HG22 VAL 65 HG2 VAL 65 0.789 -4.209 -10.731 270 HG22 VAL 65 HG2 VAL 65 0.236 -3.399 -9.245 271 HG22 VAL 65 HG2 VAL 65 1.220 -2.508 -10.431 272 H ARG 66 HN ARG 66 5.237 -3.717 -8.814 273 HA ARG 66 HA ARG 66 5.787 -5.249 -6.722 274 HB2 ARG 66 HB2 ARG 66 7.604 -3.322 -8.236 275 HB3 ARG 66 HB3 ARG 66 8.247 -4.440 -7.049 276 HG2 ARG 66 HG2 ARG 66 6.839 -6.241 -8.436 277 HG3 ARG 66 HG3 ARG 66 6.944 -5.043 -9.711 278 HD2 ARG 66 HD2 ARG 66 9.226 -5.330 -9.991 279 HD3 ARG 66 HD3 ARG 66 9.513 -5.609 -8.285 280 HE ARG 66 HE ARG 66 9.148 -7.639 -10.260 281 H ASP 67 HN ASP 67 6.720 -1.726 -6.911 282 HA ASP 67 HA ASP 67 7.795 -1.288 -4.579 283 HB2 ASP 67 HB2 ASP 67 5.713 0.285 -6.103 284 HB3 ASP 67 HB3 ASP 67 6.222 0.889 -4.538 285 HD2 ASP 67 HD2 ASP 67 7.553 2.641 -5.239 286 H VAL 68 HN VAL 68 4.298 -1.894 -5.190 287 HA VAL 68 HA VAL 68 3.651 -1.520 -2.392 288 HB VAL 68 HB VAL 68 2.000 -2.288 -4.808 289 HG11 VAL 68 HG1 VAL 68 0.134 -1.466 -3.119 290 HG11 VAL 68 HG1 VAL 68 0.703 -3.152 -3.115 291 HG11 VAL 68 HG1 VAL 68 1.318 -2.003 -1.903 292 HG22 VAL 68 HG2 VAL 68 3.104 0.127 -4.366 293 HG22 VAL 68 HG2 VAL 68 1.508 -0.089 -5.123 294 HG22 VAL 68 HG2 VAL 68 1.626 0.304 -3.391 295 H ALA 69 HN ALA 69 5.569 -3.422 -2.454 296 HA ALA 69 HA ALA 69 4.170 -5.689 -1.457 297 HB1 ALA 69 HB1 ALA 69 5.937 -6.228 -3.859 298 HB2 ALA 69 HB2 ALA 69 4.781 -7.319 -3.057 299 HB3 ALA 69 HB3 ALA 69 4.187 -5.954 -4.033 300 H ALA 70 HN ALA 70 7.233 -4.226 -2.675 301 HA ALA 70 HA ALA 70 8.846 -5.812 -0.932 302 HB1 ALA 70 HB1 ALA 70 10.299 -5.152 -2.517 303 HB2 ALA 70 HB2 ALA 70 9.168 -3.913 -3.113 304 HB3 ALA 70 HB3 ALA 70 10.279 -3.534 -1.775 305 H TYR 71 HN TYR 71 8.221 -2.283 -1.137 306 HA TYR 71 HA TYR 71 9.287 -1.487 1.279 307 HB2 TYR 71 HB2 TYR 71 7.258 -0.514 -0.603 308 HB3 TYR 71 HB3 TYR 71 6.974 0.032 1.059 309 HD1 TYR 71 HD1 TYR 71 7.644 2.249 1.217 310 HD2 TYR 71 HD2 TYR 71 10.145 -0.552 -0.871 311 HE1 TYR 71 HE1 TYR 71 9.375 4.003 0.937 312 HE2 TYR 71 HE2 TYR 71 11.875 1.202 -1.151 313 HH TYR 71 HH TYR 71 12.010 3.751 -1.181 314 H ILE 72 HN ILE 72 5.798 -2.475 0.753 315 HA ILE 72 HA ILE 72 4.879 -2.236 3.254 316 HB ILE 72 HB ILE 72 3.416 -4.173 2.761 317 HG12 ILE 72 HG1 ILE 72 4.667 -4.454 0.058 318 HG13 ILE 72 HG1 ILE 72 5.421 -5.280 1.407 319 HG22 ILE 72 HG2 ILE 72 3.265 -2.834 0.190 320 HG22 ILE 72 HG2 ILE 72 2.154 -2.776 1.580 321 HG22 ILE 72 HG2 ILE 72 3.558 -1.682 1.515 322 HD11 ILE 72 HD1 ILE 72 3.900 -6.925 0.931 323 HD11 ILE 72 HD1 ILE 72 2.783 -5.903 1.867 324 HD11 ILE 72 HD1 ILE 72 2.805 -5.803 0.090 325 H ARG 73 HN ARG 73 7.162 -4.716 2.052 326 HA ARG 73 HA ARG 73 7.016 -6.311 4.325 327 HB2 ARG 73 HB2 ARG 73 8.022 -6.883 2.018 328 HB3 ARG 73 HB3 ARG 73 9.442 -5.974 2.496 329 HG2 ARG 73 HG2 ARG 73 10.207 -7.666 3.816 330 HG3 ARG 73 HG3 ARG 73 8.651 -7.868 4.596 331 HD2 ARG 73 HD2 ARG 73 7.931 -9.490 3.074 332 HD3 ARG 73 HD3 ARG 73 8.882 -8.837 1.755 333 HE ARG 73 HE ARG 73 10.518 -9.922 3.932 334 H ASN 74 HN ASN 74 9.551 -3.924 3.236 335 HA ASN 74 HA ASN 74 10.106 -3.491 6.063 336 HB2 ASN 74 HB2 ASN 74 11.886 -4.812 4.589 337 HB3 ASN 74 HB3 ASN 74 12.260 -3.232 3.930 338 HD21 ASN 74 HD2 ASN 74 14.306 -4.222 5.042 339 HD21 ASN 74 HD2 ASN 74 14.640 -3.637 6.638 340 HA PRO 75 HA PRO 75 9.194 0.469 3.812 341 HB2 PRO 75 HB2 PRO 75 7.006 1.233 5.247 342 HB3 PRO 75 HB3 PRO 75 6.904 -0.000 3.948 343 HG2 PRO 75 HG2 PRO 75 6.983 -0.365 6.839 344 HG3 PRO 75 HG3 PRO 75 6.024 -1.304 5.648 345 HD2 PRO 75 HD2 PRO 75 8.464 -2.122 6.826 346 HD3 PRO 75 HD3 PRO 75 7.806 -2.764 5.290 347 H GLY 76 HN GLY 76 8.941 2.784 4.939 348 HA2 GLY 76 HA1 GLY 76 10.956 2.846 7.034 349 HA3 GLY 76 HA2 GLY 76 10.299 4.200 6.136 350 HA PRO 77 HA PRO 77 8.598 4.226 10.490 351 HB2 PRO 77 HB2 PRO 77 8.923 6.986 10.701 352 HB3 PRO 77 HB3 PRO 77 10.175 5.778 11.137 353 HG2 PRO 77 HG2 PRO 77 9.764 7.251 8.726 354 HG3 PRO 77 HG3 PRO 77 11.400 7.130 9.452 355 HD2 PRO 77 HD2 PRO 77 10.868 5.564 7.390 356 HD3 PRO 77 HD3 PRO 77 11.515 4.763 8.854 357 H GLY 78 HN GLY 78 6.481 5.084 11.130 358 HA2 GLY 78 HA1 GLY 78 4.588 6.402 10.733 359 HA3 GLY 78 HA2 GLY 78 5.057 6.598 9.056 360 H MET 79 HN MET 79 5.719 3.745 8.591 361 HA MET 79 HA MET 79 3.009 2.671 8.764 362 HB2 MET 79 HB2 MET 79 4.096 3.451 6.444 363 HB3 MET 79 HB3 MET 79 4.978 1.941 6.559 364 HG2 MET 79 HG2 MET 79 2.978 0.623 6.485 365 HG3 MET 79 HG3 MET 79 1.956 1.986 6.898 366 HE1 MET 79 HE1 MET 79 2.251 -0.138 3.744 367 HE2 MET 79 HE2 MET 79 3.622 0.669 2.944 368 HE3 MET 79 HE3 MET 79 3.818 -0.006 4.579 369 HA PRO 80 HA PRO 80 4.715 -0.637 11.106 370 HB2 PRO 80 HB2 PRO 80 2.484 -2.194 9.800 371 HB3 PRO 80 HB3 PRO 80 2.873 -1.937 11.532 372 HG2 PRO 80 HG2 PRO 80 0.778 -0.613 10.355 373 HG3 PRO 80 HG3 PRO 80 1.902 -0.074 11.645 374 HD2 PRO 80 HD2 PRO 80 1.875 0.572 8.657 375 HD3 PRO 80 HD3 PRO 80 2.158 1.669 10.042 376 H ALA 81 HN ALA 81 4.114 -3.415 9.941 377 HA ALA 81 HA ALA 81 5.646 -3.342 7.479 378 HB1 ALA 81 HB1 ALA 81 7.511 -3.487 8.877 379 HB2 ALA 81 HB2 ALA 81 6.639 -4.424 10.115 380 HB3 ALA 81 HB3 ALA 81 7.133 -5.203 8.592 381 H PHE 82 HN PHE 82 5.846 -5.716 6.626 382 HA PHE 82 HA PHE 82 3.810 -7.478 7.641 383 HB2 PHE 82 HB2 PHE 82 3.749 -6.180 4.850 384 HB3 PHE 82 HB3 PHE 82 2.700 -7.498 5.331 385 HD1 PHE 82 HD1 PHE 82 3.508 -3.951 5.976 386 HD2 PHE 82 HD2 PHE 82 0.722 -7.095 6.575 387 HE1 PHE 82 HE1 PHE 82 1.830 -2.299 6.843 388 HE2 PHE 82 HE2 PHE 82 -0.957 -5.443 7.442 389 HZ PHE 82 HZ PHE 82 -0.383 -3.064 7.566 390 H GLY 83 HN GLY 83 5.050 -9.302 7.777 391 HA2 GLY 83 HA1 GLY 83 6.921 -9.869 5.577 392 HA3 GLY 83 HA2 GLY 83 6.964 -10.546 7.193 393 H GLU 84 HN GLU 84 7.161 -12.605 5.803 394 HA GLU 84 HA GLU 84 4.785 -13.424 4.486 395 HB2 GLU 84 HB2 GLU 84 5.999 -15.535 4.109 396 HB3 GLU 84 HB3 GLU 84 7.018 -14.163 3.723 397 HG2 GLU 84 HG2 GLU 84 8.163 -14.341 5.904 398 HG3 GLU 84 HG3 GLU 84 7.075 -15.619 6.408 399 HE2 GLU 84 HE2 GLU 84 10.196 -15.857 5.618 400 H ALA 85 HN ALA 85 5.341 -12.930 7.673 401 HA ALA 85 HA ALA 85 4.637 -15.366 8.875 402 HB1 ALA 85 HB1 ALA 85 4.705 -14.146 10.832 403 HB2 ALA 85 HB2 ALA 85 5.614 -13.043 9.772 404 HB3 ALA 85 HB3 ALA 85 3.894 -12.736 10.110 405 H MET 86 HN MET 86 2.735 -12.554 7.659 406 HA MET 86 HA MET 86 0.357 -14.186 8.115 407 HB2 MET 86 HB2 MET 86 0.669 -11.898 9.351 408 HB3 MET 86 HB3 MET 86 0.452 -11.145 7.783 409 HG2 MET 86 HG2 MET 86 -1.794 -12.027 7.557 410 HG3 MET 86 HG3 MET 86 -1.575 -13.129 8.902 411 HE1 MET 86 HE1 MET 86 -2.079 -12.195 11.634 412 HE2 MET 86 HE2 MET 86 -0.408 -12.135 11.022 413 HE3 MET 86 HE3 MET 86 -1.090 -10.736 11.886 414 H ILE 87 HN ILE 87 1.744 -11.592 5.974 415 HA ILE 87 HA ILE 87 0.256 -12.841 3.768 416 HB ILE 87 HB ILE 87 1.013 -9.934 4.085 417 HG12 ILE 87 HG1 ILE 87 -1.423 -11.470 4.858 418 HG13 ILE 87 HG1 ILE 87 -0.675 -10.083 5.624 419 HG22 ILE 87 HG2 ILE 87 -0.165 -9.513 2.087 420 HG22 ILE 87 HG2 ILE 87 0.878 -10.914 1.743 421 HG22 ILE 87 HG2 ILE 87 -0.859 -11.152 2.051 422 HD11 ILE 87 HD1 ILE 87 -1.418 -8.699 3.586 423 HD11 ILE 87 HD1 ILE 87 -2.396 -10.109 3.112 424 HD11 ILE 87 HD1 ILE 87 -2.719 -9.278 4.653 425 HA PRO 88 HA PRO 88 4.390 -13.733 2.428 426 HB2 PRO 88 HB2 PRO 88 3.679 -15.319 0.333 427 HB3 PRO 88 HB3 PRO 88 3.451 -15.844 2.033 428 HG2 PRO 88 HG2 PRO 88 1.778 -14.571 0.276 429 HG3 PRO 88 HG3 PRO 88 1.049 -16.003 1.071 430 HD2 PRO 88 HD2 PRO 88 0.330 -13.667 2.016 431 HD3 PRO 88 HD3 PRO 88 1.020 -14.798 3.220 432 HA PRO 89 HA PRO 89 5.170 -10.574 -0.521 433 HB2 PRO 89 HB2 PRO 89 7.075 -11.967 -2.081 434 HB3 PRO 89 HB3 PRO 89 7.401 -11.076 -0.559 435 HG2 PRO 89 HG2 PRO 89 6.901 -13.948 -0.971 436 HG3 PRO 89 HG3 PRO 89 8.170 -13.319 0.131 437 HD2 PRO 89 HD2 PRO 89 5.889 -14.150 1.206 438 HD3 PRO 89 HD3 PRO 89 6.472 -12.528 1.686 439 H ALA 90 HN ALA 90 4.709 -13.972 -1.760 440 HA ALA 90 HA ALA 90 4.056 -13.178 -4.367 441 HB1 ALA 90 HB1 ALA 90 2.813 -15.634 -3.220 442 HB2 ALA 90 HB2 ALA 90 3.776 -15.423 -4.703 443 HB3 ALA 90 HB3 ALA 90 4.587 -15.527 -3.122 444 H ASP 91 HN ASP 91 2.261 -13.252 -1.312 445 HA ASP 91 HA ASP 91 -0.252 -13.036 -2.646 446 HB2 ASP 91 HB2 ASP 91 0.673 -12.912 0.246 447 HB3 ASP 91 HB3 ASP 91 -0.975 -12.489 -0.175 448 HD2 ASP 91 HD2 ASP 91 -2.344 -14.752 -0.013 449 H ALA 92 HN ALA 92 2.373 -10.978 -1.818 450 HA ALA 92 HA ALA 92 0.796 -8.640 -1.230 451 HB1 ALA 92 HB1 ALA 92 3.194 -9.344 -0.390 452 HB2 ALA 92 HB2 ALA 92 3.730 -8.624 -1.927 453 HB3 ALA 92 HB3 ALA 92 2.843 -7.635 -0.742 454 H LEU 93 HN LEU 93 2.584 -10.101 -3.982 455 HA LEU 93 HA LEU 93 2.470 -7.885 -5.668 456 HB2 LEU 93 HB2 LEU 93 2.603 -10.848 -6.226 457 HB3 LEU 93 HB3 LEU 93 2.739 -9.620 -7.470 458 HG LEU 93 HG LEU 93 4.593 -9.734 -5.082 459 HD11 LEU 93 HD1 LEU 93 5.917 -10.620 -7.438 460 HD11 LEU 93 HD1 LEU 93 5.627 -11.505 -5.921 461 HD11 LEU 93 HD1 LEU 93 4.440 -11.593 -7.244 462 HD22 LEU 93 HD2 LEU 93 4.189 -7.698 -6.830 463 HD22 LEU 93 HD2 LEU 93 5.728 -8.021 -5.996 464 HD22 LEU 93 HD2 LEU 93 5.479 -8.599 -7.661 465 H LYS 94 HN LYS 94 -0.031 -9.886 -4.396 466 HA LYS 94 HA LYS 94 -1.789 -9.458 -6.654 467 HB2 LYS 94 HB2 LYS 94 -1.919 -11.601 -5.593 468 HB3 LYS 94 HB3 LYS 94 -2.097 -10.886 -4.004 469 HG2 LYS 94 HG2 LYS 94 -4.157 -9.757 -5.655 470 HG3 LYS 94 HG3 LYS 94 -4.153 -11.483 -5.960 471 HD2 LYS 94 HD2 LYS 94 -3.871 -10.827 -3.087 472 HD3 LYS 94 HD3 LYS 94 -5.359 -10.212 -3.780 473 HE2 LYS 94 HE2 LYS 94 -4.637 -13.023 -4.532 474 HE3 LYS 94 HE3 LYS 94 -5.071 -12.771 -2.853 475 HZ1 LYS 94 HZ1 LYS 94 -7.021 -11.409 -4.070 476 HZ2 LYS 94 HZ2 LYS 94 -6.752 -12.539 -5.212 477 H ILE 95 HN ILE 95 -0.974 -8.049 -3.515 478 HA ILE 95 HA ILE 95 -3.390 -6.569 -3.271 479 HB ILE 95 HB ILE 95 -0.710 -6.117 -1.957 480 HG12 ILE 95 HG1 ILE 95 -1.632 -8.465 -1.740 481 HG13 ILE 95 HG1 ILE 95 -1.323 -7.610 -0.241 482 HG22 ILE 95 HG2 ILE 95 -2.441 -5.313 -0.121 483 HG22 ILE 95 HG2 ILE 95 -1.864 -4.226 -1.407 484 HG22 ILE 95 HG2 ILE 95 -3.454 -5.012 -1.553 485 HD11 ILE 95 HD1 ILE 95 -3.819 -6.879 -0.339 486 HD11 ILE 95 HD1 ILE 95 -3.998 -8.146 -1.577 487 HD11 ILE 95 HD1 ILE 95 -3.474 -8.578 0.068 488 H GLY 96 HN GLY 96 -0.065 -5.911 -4.515 489 HA2 GLY 96 HA1 GLY 96 -0.200 -3.223 -4.978 490 HA3 GLY 96 HA2 GLY 96 0.650 -4.370 -5.994 491 H GLU 97 HN GLU 97 -2.018 -5.820 -6.564 492 HA GLU 97 HA GLU 97 -2.574 -4.384 -8.908 493 HB2 GLU 97 HB2 GLU 97 -4.336 -6.565 -7.742 494 HB3 GLU 97 HB3 GLU 97 -4.078 -6.173 -9.430 495 HG2 GLU 97 HG2 GLU 97 -1.571 -6.771 -8.995 496 HG3 GLU 97 HG3 GLU 97 -2.133 -7.500 -7.503 497 HE2 GLU 97 HE2 GLU 97 -2.891 -8.667 -11.158 498 H TYR 98 HN TYR 98 -4.449 -5.077 -5.935 499 HA TYR 98 HA TYR 98 -6.802 -3.726 -6.482 500 HB2 TYR 98 HB2 TYR 98 -6.273 -5.082 -4.454 501 HB3 TYR 98 HB3 TYR 98 -5.293 -3.736 -3.847 502 HD1 TYR 98 HD1 TYR 98 -6.285 -2.308 -2.326 503 HD2 TYR 98 HD2 TYR 98 -8.755 -4.331 -5.199 504 HE1 TYR 98 HE1 TYR 98 -8.304 -1.300 -1.299 505 HE2 TYR 98 HE2 TYR 98 -10.775 -3.322 -4.172 506 HH TYR 98 HH TYR 98 -10.983 -2.055 -1.239 507 H VAL 99 HN VAL 99 -3.569 -2.358 -5.834 508 HA VAL 99 HA VAL 99 -4.765 0.288 -5.572 509 HB VAL 99 HB VAL 99 -1.958 -0.774 -5.220 510 HG11 VAL 99 HG1 VAL 99 -3.002 2.021 -5.379 511 HG11 VAL 99 HG1 VAL 99 -1.770 1.662 -4.147 512 HG11 VAL 99 HG1 VAL 99 -1.424 1.356 -5.866 513 HG22 VAL 99 HG2 VAL 99 -2.303 -0.256 -2.857 514 HG22 VAL 99 HG2 VAL 99 -3.940 0.346 -3.210 515 HG22 VAL 99 HG2 VAL 99 -3.557 -1.377 -3.439 516 H VAL 100 HN VAL 100 -5.005 -1.216 -8.088 517 HA VAL 100 HA VAL 100 -3.659 0.742 -9.777 518 HB VAL 100 HB VAL 100 -3.470 -2.259 -10.052 519 HG11 VAL 100 HG1 VAL 100 -3.259 -0.102 -12.108 520 HG11 VAL 100 HG1 VAL 100 -2.076 -1.431 -12.174 521 HG11 VAL 100 HG1 VAL 100 -3.818 -1.785 -12.262 522 HG22 VAL 100 HG2 VAL 100 -1.817 -0.897 -8.615 523 HG22 VAL 100 HG2 VAL 100 -1.145 -2.000 -9.840 524 HG22 VAL 100 HG2 VAL 100 -1.216 -0.250 -10.160 525 H ALA 101 HN ALA 101 -6.452 -0.117 -8.616 526 HA ALA 101 HA ALA 101 -7.783 0.004 -11.228 527 HB1 ALA 101 HB1 ALA 101 -7.848 -2.307 -10.198 528 HB2 ALA 101 HB2 ALA 101 -8.756 -1.605 -8.838 529 HB3 ALA 101 HB3 ALA 101 -9.445 -1.573 -10.478 530 H SER 102 HN SER 102 -7.046 2.282 -9.801 531 HA SER 102 HA SER 102 -9.484 3.526 -9.516 532 HB2 SER 102 HB2 SER 102 -8.607 2.159 -7.107 533 HB3 SER 102 HB3 SER 102 -8.602 3.889 -6.823 534 HG SER 102 HG SER 102 -10.725 2.228 -6.878 535 H PHE 103 HN PHE 103 -6.029 3.306 -8.579 536 HA PHE 103 HA PHE 103 -5.541 5.878 -9.699 537 HB2 PHE 103 HB2 PHE 103 -4.400 6.377 -7.258 538 HB3 PHE 103 HB3 PHE 103 -6.031 6.895 -7.638 539 HD1 PHE 103 HD1 PHE 103 -4.658 3.539 -6.744 540 HD2 PHE 103 HD2 PHE 103 -7.304 6.696 -5.724 541 HE1 PHE 103 HE1 PHE 103 -5.537 2.182 -4.824 542 HE2 PHE 103 HE2 PHE 103 -8.183 5.339 -3.804 543 HZ PHE 103 HZ PHE 103 -7.289 3.098 -3.377 544 HA PRO 104 HA PRO 104 -2.011 2.956 -9.774 545 HB2 PRO 104 HB2 PRO 104 -1.832 2.652 -12.469 546 HB3 PRO 104 HB3 PRO 104 -3.082 1.795 -11.510 547 HG2 PRO 104 HG2 PRO 104 -3.258 4.155 -13.080 548 HG3 PRO 104 HG3 PRO 104 -4.574 2.937 -13.042 549 HD2 PRO 104 HD2 PRO 104 -4.643 5.360 -11.665 550 HD3 PRO 104 HD3 PRO 104 -5.487 3.888 -11.097 Start of MODEL 14 1 H ALA 25 HN ALA 25 -12.055 -7.107 -7.523 2 HA ALA 25 HA ALA 25 -12.130 -7.773 -5.115 3 HB1 ALA 25 HB1 ALA 25 -13.346 -10.036 -5.780 4 HB2 ALA 25 HB2 ALA 25 -14.029 -8.463 -6.255 5 HB3 ALA 25 HB3 ALA 25 -13.104 -9.425 -7.433 6 H GLY 26 HN GLY 26 -11.300 -9.111 -3.505 7 HA2 GLY 26 HA1 GLY 26 -10.261 -11.205 -2.920 8 HA3 GLY 26 HA2 GLY 26 -9.299 -11.102 -4.381 9 H GLY 27 HN GLY 27 -7.824 -9.098 -4.583 10 HA2 GLY 27 HA1 GLY 27 -6.081 -8.991 -2.403 11 HA3 GLY 27 HA2 GLY 27 -6.099 -7.905 -3.778 12 H GLY 28 HN GLY 28 -9.023 -7.157 -3.171 13 HA2 GLY 28 HA1 GLY 28 -8.460 -4.871 -1.589 14 HA3 GLY 28 HA2 GLY 28 -10.024 -5.403 -2.173 15 H GLU 29 HN GLU 29 -10.260 -7.966 -0.993 16 HA GLU 29 HA GLU 29 -11.256 -7.337 1.457 17 HB2 GLU 29 HB2 GLU 29 -11.830 -9.377 0.166 18 HB3 GLU 29 HB3 GLU 29 -10.238 -10.041 0.475 19 HG2 GLU 29 HG2 GLU 29 -11.431 -11.061 2.194 20 HG3 GLU 29 HG3 GLU 29 -10.881 -9.622 3.029 21 HE2 GLU 29 HE2 GLU 29 -12.578 -7.855 3.146 22 H LEU 30 HN LEU 30 -7.937 -8.041 0.501 23 HA LEU 30 HA LEU 30 -7.088 -8.590 3.199 24 HB2 LEU 30 HB2 LEU 30 -5.477 -8.151 0.681 25 HB3 LEU 30 HB3 LEU 30 -4.871 -8.760 2.209 26 HG LEU 30 HG LEU 30 -6.730 -10.125 0.260 27 HD11 LEU 30 HD1 LEU 30 -4.468 -11.618 1.351 28 HD11 LEU 30 HD1 LEU 30 -4.966 -11.352 -0.337 29 HD11 LEU 30 HD1 LEU 30 -3.977 -10.132 0.502 30 HD22 LEU 30 HD2 LEU 30 -7.048 -11.934 1.829 31 HD22 LEU 30 HD2 LEU 30 -6.060 -11.098 3.050 32 HD22 LEU 30 HD2 LEU 30 -7.624 -10.413 2.550 33 H PHE 31 HN PHE 31 -7.002 -5.896 0.813 34 HA PHE 31 HA PHE 31 -5.442 -4.230 2.501 35 HB2 PHE 31 HB2 PHE 31 -5.473 -3.896 0.078 36 HB3 PHE 31 HB3 PHE 31 -7.224 -3.930 0.027 37 HD1 PHE 31 HD1 PHE 31 -4.394 -1.849 0.025 38 HD2 PHE 31 HD2 PHE 31 -8.418 -2.000 1.365 39 HE1 PHE 31 HE1 PHE 31 -4.447 0.657 0.148 40 HE2 PHE 31 HE2 PHE 31 -8.470 0.506 1.488 41 HZ PHE 31 HZ PHE 31 -6.485 1.805 0.878 42 H ALA 32 HN ALA 32 -8.776 -5.188 2.454 43 HA ALA 32 HA ALA 32 -9.603 -2.750 3.831 44 HB1 ALA 32 HB1 ALA 32 -11.675 -4.744 3.522 45 HB2 ALA 32 HB2 ALA 32 -11.557 -3.125 2.790 46 HB3 ALA 32 HB3 ALA 32 -10.818 -4.525 1.977 47 H THR 33 HN THR 33 -7.686 -4.241 5.234 48 HA THR 33 HA THR 33 -9.024 -4.684 7.659 49 HB THR 33 HB THR 33 -8.527 -7.069 5.865 50 HG1 THR 33 HG1 THR 33 -10.696 -6.533 6.253 51 HG22 THR 33 HG2 THR 33 -8.601 -7.188 8.923 52 HG22 THR 33 HG2 THR 33 -8.486 -8.567 7.804 53 HG22 THR 33 HG2 THR 33 -7.121 -7.437 7.966 54 H HIS 34 HN HIS 34 -6.185 -5.303 5.563 55 HA HIS 34 HA HIS 34 -4.517 -5.044 7.946 56 HB2 HIS 34 HB2 HIS 34 -3.739 -5.970 5.168 57 HB3 HIS 34 HB3 HIS 34 -2.734 -6.008 6.604 58 HD1 HIS 34 HD1 HIS 34 -3.472 -7.739 8.529 59 HD2 HIS 34 HD2 HIS 34 -5.430 -8.150 4.842 60 HE1 HIS 34 HE1 HIS 34 -4.572 -10.041 8.556 61 H CYS 35 HN CYS 35 -5.936 -3.159 5.576 62 HA CYS 35 HA CYS 35 -3.775 -1.209 5.825 63 HB2 CYS 35 HB2 CYS 35 -5.347 -1.487 3.273 64 HB3 CYS 35 HB3 CYS 35 -3.889 -0.560 3.566 65 H ALA 36 HN ALA 36 -7.220 -1.932 4.950 66 HA ALA 36 HA ALA 36 -8.354 0.481 4.899 67 HB1 ALA 36 HB1 ALA 36 -10.111 -0.969 6.503 68 HB2 ALA 36 HB2 ALA 36 -10.026 -1.025 4.726 69 HB3 ALA 36 HB3 ALA 36 -9.147 -2.229 5.697 70 H GLY 37 HN GLY 37 -6.914 -1.118 7.734 71 HA2 GLY 37 HA1 GLY 37 -7.992 0.805 9.604 72 HA3 GLY 37 HA2 GLY 37 -6.861 -0.493 9.928 73 H CYS 38 HN CYS 38 -6.710 2.236 7.537 74 HA CYS 38 HA CYS 38 -5.095 3.930 8.885 75 HB2 CYS 38 HB2 CYS 38 -3.602 1.532 8.207 76 HB3 CYS 38 HB3 CYS 38 -2.917 2.931 7.405 77 H HIS 39 HN HIS 39 -5.867 2.148 5.898 78 HA HIS 39 HA HIS 39 -5.530 4.659 4.423 79 HB2 HIS 39 HB2 HIS 39 -5.095 1.795 3.571 80 HB3 HIS 39 HB3 HIS 39 -5.360 3.074 2.402 81 HD1 HIS 39 HD1 HIS 39 -3.607 5.294 2.974 82 HD2 HIS 39 HD2 HIS 39 -2.439 1.396 3.992 83 HE1 HIS 39 HE1 HIS 39 -1.066 5.346 3.205 84 HA PRO 40 HA PRO 40 -10.007 3.363 4.635 85 HB2 PRO 40 HB2 PRO 40 -10.990 5.492 5.982 86 HB3 PRO 40 HB3 PRO 40 -10.119 4.181 6.843 87 HG2 PRO 40 HG2 PRO 40 -8.667 6.946 5.976 88 HG3 PRO 40 HG3 PRO 40 -8.976 6.009 7.474 89 HD2 PRO 40 HD2 PRO 40 -6.779 5.647 5.747 90 HD3 PRO 40 HD3 PRO 40 -7.416 4.387 6.848 91 H GLN 41 HN GLN 41 -11.210 3.852 2.793 92 HA GLN 41 HA GLN 41 -11.675 4.815 0.888 93 HB2 GLN 41 HB2 GLN 41 -12.577 6.424 2.949 94 HB3 GLN 41 HB3 GLN 41 -11.708 7.583 1.963 95 HG2 GLN 41 HG2 GLN 41 -13.051 7.111 0.023 96 HG3 GLN 41 HG3 GLN 41 -13.684 5.633 0.718 97 HE21 GLN 41 HE2 GLN 41 -15.670 5.745 1.401 98 HE21 GLN 41 HE2 GLN 41 -16.491 7.128 2.042 99 H GLY 42 HN GLY 42 -8.991 4.328 0.908 100 HA2 GLY 42 HA1 GLY 42 -7.028 4.916 -0.013 101 HA3 GLY 42 HA2 GLY 42 -7.951 6.008 -1.025 102 H GLY 43 HN GLY 43 -8.259 6.523 2.425 103 HA2 GLY 43 HA1 GLY 43 -6.695 8.994 2.161 104 HA3 GLY 43 HA2 GLY 43 -7.919 8.641 3.365 105 H ASN 44 HN ASN 44 -6.281 9.380 4.965 106 HA ASN 44 HA ASN 44 -4.793 7.109 5.869 107 HB2 ASN 44 HB2 ASN 44 -3.493 9.319 4.485 108 HB3 ASN 44 HB3 ASN 44 -2.988 9.336 6.163 109 HD21 ASN 44 HD2 ASN 44 -1.312 8.785 3.993 110 HD21 ASN 44 HD2 ASN 44 -0.736 7.155 4.099 111 H THR 45 HN THR 45 -4.416 7.269 8.192 112 HA THR 45 HA THR 45 -5.753 9.580 9.432 113 HB THR 45 HB THR 45 -6.065 7.906 11.340 114 HG1 THR 45 HG1 THR 45 -4.924 6.038 11.023 115 HG22 THR 45 HG2 THR 45 -7.812 8.203 9.450 116 HG22 THR 45 HG2 THR 45 -7.076 6.772 8.689 117 HG22 THR 45 HG2 THR 45 -7.839 6.634 10.291 118 H VAL 46 HN VAL 46 -2.724 8.560 8.602 119 HA VAL 46 HA VAL 46 -1.580 9.552 11.119 120 HB VAL 46 HB VAL 46 -0.391 7.811 8.949 121 HG11 VAL 46 HG1 VAL 46 1.073 9.522 10.375 122 HG11 VAL 46 HG1 VAL 46 0.950 8.227 11.589 123 HG11 VAL 46 HG1 VAL 46 1.649 7.883 9.989 124 HG22 VAL 46 HG2 VAL 46 -0.551 5.988 10.447 125 HG22 VAL 46 HG2 VAL 46 -0.945 7.045 11.824 126 HG22 VAL 46 HG2 VAL 46 -2.134 6.798 10.523 127 H HIS 47 HN HIS 47 -1.075 9.558 7.517 128 HA HIS 47 HA HIS 47 -0.069 12.291 7.854 129 HB2 HIS 47 HB2 HIS 47 0.747 10.145 5.880 130 HB3 HIS 47 HB3 HIS 47 1.202 11.830 5.716 131 HD1 HIS 47 HD1 HIS 47 3.579 10.174 5.925 132 HD2 HIS 47 HD2 HIS 47 1.493 11.320 9.379 133 HE1 HIS 47 HE1 HIS 47 5.226 9.951 7.861 134 HA PRO 48 HA PRO 48 -3.704 13.081 5.394 135 HB2 PRO 48 HB2 PRO 48 -4.079 15.631 6.119 136 HB3 PRO 48 HB3 PRO 48 -4.233 14.331 7.345 137 HG2 PRO 48 HG2 PRO 48 -1.990 15.909 6.661 138 HG3 PRO 48 HG3 PRO 48 -2.353 15.805 8.415 139 HD2 PRO 48 HD2 PRO 48 -0.384 14.300 7.394 140 HD3 PRO 48 HD3 PRO 48 -1.565 13.523 8.492 141 H GLU 49 HN GLU 49 -0.568 13.455 4.670 142 HA GLU 49 HA GLU 49 -1.214 15.246 2.466 143 HB2 GLU 49 HB2 GLU 49 1.097 16.161 2.576 144 HB3 GLU 49 HB3 GLU 49 0.187 16.504 4.033 145 HG2 GLU 49 HG2 GLU 49 1.406 14.972 5.333 146 HG3 GLU 49 HG3 GLU 49 1.829 13.973 3.957 147 HE2 GLU 49 HE2 GLU 49 2.853 16.336 5.945 148 H LYS 50 HN LYS 50 -0.645 12.146 3.333 149 HA LYS 50 HA LYS 50 0.760 11.598 0.819 150 HB2 LYS 50 HB2 LYS 50 1.230 9.978 3.324 151 HB3 LYS 50 HB3 LYS 50 2.125 9.942 1.819 152 HG2 LYS 50 HG2 LYS 50 2.307 12.630 2.570 153 HG3 LYS 50 HG3 LYS 50 2.377 11.798 4.111 154 HD2 LYS 50 HD2 LYS 50 4.506 11.122 3.718 155 HD3 LYS 50 HD3 LYS 50 4.037 10.369 2.206 156 HE2 LYS 50 HE2 LYS 50 4.835 13.283 2.637 157 HE3 LYS 50 HE3 LYS 50 5.708 12.075 1.715 158 HZ1 LYS 50 HZ1 LYS 50 3.611 13.735 0.825 159 HZ2 LYS 50 HZ2 LYS 50 4.495 12.688 -0.055 160 H THR 51 HN THR 51 -1.201 11.186 -0.263 161 HA THR 51 HA THR 51 -2.849 9.046 0.890 162 HB THR 51 HB THR 51 -4.592 9.935 -0.595 163 HG1 THR 51 HG1 THR 51 -3.907 11.618 -2.109 164 HG22 THR 51 HG2 THR 51 -3.194 12.487 0.242 165 HG22 THR 51 HG2 THR 51 -4.922 12.071 0.343 166 HG22 THR 51 HG2 THR 51 -3.771 11.378 1.509 167 H LEU 52 HN LEU 52 -4.027 7.919 -1.265 168 HA LEU 52 HA LEU 52 -1.753 6.532 -2.437 169 HB2 LEU 52 HB2 LEU 52 -4.697 5.871 -2.308 170 HB3 LEU 52 HB3 LEU 52 -3.495 4.887 -3.119 171 HG LEU 52 HG LEU 52 -3.589 5.510 -0.155 172 HD11 LEU 52 HD1 LEU 52 -4.692 3.348 -1.814 173 HD11 LEU 52 HD1 LEU 52 -3.747 2.792 -0.412 174 HD11 LEU 52 HD1 LEU 52 -5.131 3.886 -0.175 175 HD22 LEU 52 HD2 LEU 52 -1.824 3.374 -0.665 176 HD22 LEU 52 HD2 LEU 52 -1.394 4.663 -1.814 177 HD22 LEU 52 HD2 LEU 52 -1.432 5.004 -0.067 178 H ALA 53 HN ALA 53 -2.945 9.339 -3.161 179 HA ALA 53 HA ALA 53 -3.925 8.905 -5.825 180 HB1 ALA 53 HB1 ALA 53 -4.867 10.781 -4.809 181 HB2 ALA 53 HB2 ALA 53 -3.335 11.264 -4.041 182 HB3 ALA 53 HB3 ALA 53 -3.573 11.515 -5.787 183 H ARG 54 HN ARG 54 -2.759 8.884 -7.708 184 HA ARG 54 HA ARG 54 -0.116 8.371 -7.682 185 HB2 ARG 54 HB2 ARG 54 -1.647 8.014 -9.630 186 HB3 ARG 54 HB3 ARG 54 -1.710 9.744 -9.906 187 HG2 ARG 54 HG2 ARG 54 1.015 9.346 -9.880 188 HG3 ARG 54 HG3 ARG 54 0.477 7.804 -10.515 189 HD2 ARG 54 HD2 ARG 54 -1.092 9.623 -11.947 190 HD3 ARG 54 HD3 ARG 54 0.428 10.480 -11.787 191 HE ARG 54 HE ARG 54 0.658 7.659 -12.636 192 H ALA 55 HN ALA 55 -1.733 11.551 -8.402 193 HA ALA 55 HA ALA 55 0.355 13.120 -8.992 194 HB1 ALA 55 HB1 ALA 55 -0.938 14.961 -8.034 195 HB2 ALA 55 HB2 ALA 55 -2.039 13.800 -8.814 196 HB3 ALA 55 HB3 ALA 55 -1.877 13.819 -7.042 197 H ARG 56 HN ARG 56 -0.430 11.704 -5.808 198 HA ARG 56 HA ARG 56 1.747 13.196 -4.645 199 HB2 ARG 56 HB2 ARG 56 -0.553 11.552 -3.587 200 HB3 ARG 56 HB3 ARG 56 0.873 11.682 -2.577 201 HG2 ARG 56 HG2 ARG 56 -0.283 14.197 -3.801 202 HG3 ARG 56 HG3 ARG 56 -1.082 13.489 -2.410 203 HD2 ARG 56 HD2 ARG 56 1.154 13.520 -1.189 204 HD3 ARG 56 HD3 ARG 56 1.840 14.375 -2.556 205 HE ARG 56 HE ARG 56 0.834 16.324 -1.771 206 H ARG 57 HN ARG 57 0.621 9.783 -5.158 207 HA ARG 57 HA ARG 57 2.776 8.552 -4.010 208 HB2 ARG 57 HB2 ARG 57 0.621 7.826 -5.924 209 HB3 ARG 57 HB3 ARG 57 2.059 6.840 -6.097 210 HG2 ARG 57 HG2 ARG 57 1.757 6.939 -3.330 211 HG3 ARG 57 HG3 ARG 57 0.092 6.933 -3.878 212 HD2 ARG 57 HD2 ARG 57 2.151 4.940 -4.927 213 HD3 ARG 57 HD3 ARG 57 1.190 4.623 -3.496 214 HE ARG 57 HE ARG 57 -0.727 5.333 -5.343 215 H GLU 58 HN GLU 58 2.619 10.492 -6.855 216 HA GLU 58 HA GLU 58 4.723 9.135 -8.226 217 HB2 GLU 58 HB2 GLU 58 4.272 10.567 -9.995 218 HB3 GLU 58 HB3 GLU 58 2.725 10.610 -9.172 219 HG2 GLU 58 HG2 GLU 58 3.372 12.698 -7.999 220 HG3 GLU 58 HG3 GLU 58 4.967 12.638 -8.723 221 HE2 GLU 58 HE2 GLU 58 4.739 12.460 -11.239 222 H ALA 59 HN ALA 59 4.285 12.242 -6.410 223 HA ALA 59 HA ALA 59 6.762 13.321 -6.728 224 HB1 ALA 59 HB1 ALA 59 5.095 14.570 -5.599 225 HB2 ALA 59 HB2 ALA 59 4.816 13.280 -4.405 226 HB3 ALA 59 HB3 ALA 59 6.319 14.232 -4.352 227 H ASN 60 HN ASN 60 5.719 10.760 -4.401 228 HA ASN 60 HA ASN 60 8.318 10.604 -3.286 229 HB2 ASN 60 HB2 ASN 60 6.106 8.502 -3.098 230 HB3 ASN 60 HB3 ASN 60 7.400 8.780 -1.949 231 HD21 ASN 60 HD2 ASN 60 7.227 11.699 -2.221 232 HD21 ASN 60 HD2 ASN 60 5.835 12.212 -1.326 233 H GLY 61 HN GLY 61 6.427 9.066 -5.883 234 HA2 GLY 61 HA1 GLY 61 7.319 7.917 -7.674 235 HA3 GLY 61 HA2 GLY 61 8.803 7.636 -6.785 236 H ILE 62 HN ILE 62 5.276 6.775 -6.744 237 HA ILE 62 HA ILE 62 6.080 4.039 -6.130 238 HB ILE 62 HB ILE 62 4.004 5.598 -4.586 239 HG12 ILE 62 HG1 ILE 62 6.791 4.661 -3.931 240 HG13 ILE 62 HG1 ILE 62 6.086 6.252 -3.727 241 HG22 ILE 62 HG2 ILE 62 3.857 2.950 -5.214 242 HG22 ILE 62 HG2 ILE 62 4.764 2.898 -3.684 243 HG22 ILE 62 HG2 ILE 62 3.172 3.691 -3.748 244 HD11 ILE 62 HD1 ILE 62 5.899 5.546 -1.541 245 HD11 ILE 62 HD1 ILE 62 4.384 4.837 -2.148 246 HD11 ILE 62 HD1 ILE 62 5.840 3.826 -1.993 247 H ARG 63 HN ARG 63 5.640 4.488 -8.639 248 HA ARG 63 HA ARG 63 2.793 4.019 -9.025 249 HB2 ARG 63 HB2 ARG 63 4.713 4.914 -11.213 250 HB3 ARG 63 HB3 ARG 63 2.965 5.041 -11.198 251 HG2 ARG 63 HG2 ARG 63 3.077 7.087 -10.231 252 HG3 ARG 63 HG3 ARG 63 3.980 6.435 -8.877 253 HD2 ARG 63 HD2 ARG 63 5.130 7.436 -11.524 254 HD3 ARG 63 HD3 ARG 63 5.326 8.178 -9.949 255 HE ARG 63 HE ARG 63 6.284 5.388 -10.171 256 H THR 64 HN THR 64 3.920 1.760 -8.244 257 HA THR 64 HA THR 64 4.012 0.154 -10.627 258 HB THR 64 HB THR 64 6.276 -0.813 -10.017 259 HG1 THR 64 HG1 THR 64 6.940 -0.123 -8.024 260 HG22 THR 64 HG2 THR 64 6.049 1.170 -11.673 261 HG22 THR 64 HG2 THR 64 6.480 2.222 -10.304 262 HG22 THR 64 HG2 THR 64 7.633 0.994 -10.880 263 H VAL 65 HN VAL 65 3.482 -2.007 -10.253 264 HA VAL 65 HA VAL 65 1.952 -2.453 -7.958 265 HB VAL 65 HB VAL 65 3.036 -4.191 -10.163 266 HG11 VAL 65 HG1 VAL 65 1.755 -6.068 -9.349 267 HG11 VAL 65 HG1 VAL 65 2.867 -5.538 -8.064 268 HG11 VAL 65 HG1 VAL 65 1.140 -5.113 -7.978 269 HG22 VAL 65 HG2 VAL 65 0.222 -3.298 -9.448 270 HG22 VAL 65 HG2 VAL 65 1.247 -2.593 -10.720 271 HG22 VAL 65 HG2 VAL 65 0.689 -4.278 -10.858 272 H ARG 66 HN ARG 66 5.217 -3.698 -8.944 273 HA ARG 66 HA ARG 66 5.725 -5.290 -6.869 274 HB2 ARG 66 HB2 ARG 66 7.534 -3.356 -8.373 275 HB3 ARG 66 HB3 ARG 66 8.192 -4.411 -7.138 276 HG2 ARG 66 HG2 ARG 66 6.693 -6.211 -8.592 277 HG3 ARG 66 HG3 ARG 66 7.156 -5.087 -9.854 278 HD2 ARG 66 HD2 ARG 66 9.583 -5.305 -8.838 279 HD3 ARG 66 HD3 ARG 66 8.961 -6.747 -8.060 280 HE ARG 66 HE ARG 66 9.105 -7.828 -10.116 281 H ASP 67 HN ASP 67 6.716 -1.778 -6.988 282 HA ASP 67 HA ASP 67 7.722 -1.382 -4.623 283 HB2 ASP 67 HB2 ASP 67 5.725 0.235 -6.203 284 HB3 ASP 67 HB3 ASP 67 6.150 0.810 -4.604 285 HD2 ASP 67 HD2 ASP 67 7.635 2.286 -4.764 286 H VAL 68 HN VAL 68 4.220 -1.874 -5.334 287 HA VAL 68 HA VAL 68 3.510 -1.544 -2.551 288 HB VAL 68 HB VAL 68 1.894 -2.288 -4.998 289 HG11 VAL 68 HG1 VAL 68 1.160 -1.868 -2.115 290 HG11 VAL 68 HG1 VAL 68 0.012 -1.398 -3.391 291 HG11 VAL 68 HG1 VAL 68 0.573 -3.084 -3.274 292 HG22 VAL 68 HG2 VAL 68 2.128 0.369 -3.544 293 HG22 VAL 68 HG2 VAL 68 2.886 -0.026 -5.106 294 HG22 VAL 68 HG2 VAL 68 1.112 0.023 -4.964 295 H ALA 69 HN ALA 69 5.401 -3.480 -2.594 296 HA ALA 69 HA ALA 69 3.964 -5.719 -1.618 297 HB1 ALA 69 HB1 ALA 69 3.835 -6.975 -3.474 298 HB2 ALA 69 HB2 ALA 69 4.645 -5.705 -4.422 299 HB3 ALA 69 HB3 ALA 69 5.611 -6.945 -3.589 300 H ALA 70 HN ALA 70 7.050 -4.357 -2.898 301 HA ALA 70 HA ALA 70 8.634 -5.987 -1.162 302 HB1 ALA 70 HB1 ALA 70 9.230 -4.978 -3.474 303 HB2 ALA 70 HB2 ALA 70 9.517 -3.463 -2.585 304 HB3 ALA 70 HB3 ALA 70 10.468 -4.916 -2.197 305 H TYR 71 HN TYR 71 8.164 -2.438 -1.430 306 HA TYR 71 HA TYR 71 9.308 -1.631 0.939 307 HB2 TYR 71 HB2 TYR 71 7.256 -0.630 -0.904 308 HB3 TYR 71 HB3 TYR 71 7.042 -0.040 0.753 309 HD1 TYR 71 HD1 TYR 71 7.672 2.221 0.577 310 HD2 TYR 71 HD2 TYR 71 10.248 -0.836 -0.993 311 HE1 TYR 71 HE1 TYR 71 9.450 3.910 0.205 312 HE2 TYR 71 HE2 TYR 71 12.026 0.852 -1.364 313 HH TYR 71 HH TYR 71 12.250 3.707 0.007 314 H ILE 72 HN ILE 72 5.779 -2.528 0.531 315 HA ILE 72 HA ILE 72 4.940 -2.203 3.053 316 HB ILE 72 HB ILE 72 3.405 -4.106 2.642 317 HG12 ILE 72 HG1 ILE 72 4.561 -4.465 -0.094 318 HG13 ILE 72 HG1 ILE 72 5.332 -5.293 1.244 319 HG22 ILE 72 HG2 ILE 72 2.161 -2.653 1.518 320 HG22 ILE 72 HG2 ILE 72 3.612 -1.643 1.309 321 HG22 ILE 72 HG2 ILE 72 3.169 -2.833 0.061 322 HD11 ILE 72 HD1 ILE 72 3.746 -6.898 0.957 323 HD11 ILE 72 HD1 ILE 72 2.624 -5.756 1.734 324 HD11 ILE 72 HD1 ILE 72 2.733 -5.828 -0.041 325 H ARG 73 HN ARG 73 7.107 -4.779 1.838 326 HA ARG 73 HA ARG 73 6.975 -6.371 4.090 327 HB2 ARG 73 HB2 ARG 73 8.217 -6.534 1.645 328 HB3 ARG 73 HB3 ARG 73 9.604 -6.186 2.658 329 HG2 ARG 73 HG2 ARG 73 7.649 -8.322 3.540 330 HG3 ARG 73 HG3 ARG 73 8.799 -8.699 2.272 331 HD2 ARG 73 HD2 ARG 73 10.278 -7.350 4.325 332 HD3 ARG 73 HD3 ARG 73 9.253 -8.515 5.140 333 HE ARG 73 HE ARG 73 10.697 -9.542 2.774 334 H ASN 74 HN ASN 74 9.540 -3.979 3.084 335 HA ASN 74 HA ASN 74 10.025 -3.569 5.927 336 HB2 ASN 74 HB2 ASN 74 11.833 -4.901 4.510 337 HB3 ASN 74 HB3 ASN 74 12.232 -3.329 3.844 338 HD21 ASN 74 HD2 ASN 74 11.543 -4.870 6.982 339 HD21 ASN 74 HD2 ASN 74 12.786 -4.080 7.893 340 HA PRO 75 HA PRO 75 9.178 0.399 3.650 341 HB2 PRO 75 HB2 PRO 75 6.992 1.188 5.077 342 HB3 PRO 75 HB3 PRO 75 6.881 -0.040 3.774 343 HG2 PRO 75 HG2 PRO 75 7.005 -0.405 6.691 344 HG3 PRO 75 HG3 PRO 75 5.969 -1.289 5.524 345 HD2 PRO 75 HD2 PRO 75 8.370 -2.264 6.603 346 HD3 PRO 75 HD3 PRO 75 7.699 -2.784 5.028 347 H GLY 76 HN GLY 76 8.941 2.718 4.777 348 HA2 GLY 76 HA1 GLY 76 10.967 2.775 6.853 349 HA3 GLY 76 HA2 GLY 76 10.276 4.133 5.987 350 HA PRO 77 HA PRO 77 8.644 4.058 10.368 351 HB2 PRO 77 HB2 PRO 77 8.981 6.806 10.657 352 HB3 PRO 77 HB3 PRO 77 10.243 5.586 11.029 353 HG2 PRO 77 HG2 PRO 77 9.802 7.144 8.657 354 HG3 PRO 77 HG3 PRO 77 11.432 6.977 9.388 355 HD2 PRO 77 HD2 PRO 77 10.856 5.488 7.264 356 HD3 PRO 77 HD3 PRO 77 11.542 4.648 8.688 357 H GLY 78 HN GLY 78 6.552 4.958 11.077 358 HA2 GLY 78 HA1 GLY 78 4.652 6.265 10.737 359 HA3 GLY 78 HA2 GLY 78 5.104 6.519 9.063 360 H MET 79 HN MET 79 5.755 3.673 8.506 361 HA MET 79 HA MET 79 3.037 2.613 8.649 362 HB2 MET 79 HB2 MET 79 4.119 3.447 6.353 363 HB3 MET 79 HB3 MET 79 5.016 1.943 6.430 364 HG2 MET 79 HG2 MET 79 3.032 0.608 6.312 365 HG3 MET 79 HG3 MET 79 1.994 1.944 6.767 366 HE1 MET 79 HE1 MET 79 3.634 0.741 2.775 367 HE2 MET 79 HE2 MET 79 3.827 0.017 4.389 368 HE3 MET 79 HE3 MET 79 2.257 -0.072 3.556 369 HA PRO 80 HA PRO 80 4.728 -0.753 10.923 370 HB2 PRO 80 HB2 PRO 80 2.460 -2.250 9.610 371 HB3 PRO 80 HB3 PRO 80 2.874 -2.039 11.342 372 HG2 PRO 80 HG2 PRO 80 0.784 -0.654 10.224 373 HG3 PRO 80 HG3 PRO 80 1.936 -0.163 11.509 374 HD2 PRO 80 HD2 PRO 80 1.877 0.549 8.536 375 HD3 PRO 80 HD3 PRO 80 2.197 1.611 9.941 376 H ALA 81 HN ALA 81 4.071 -3.499 9.707 377 HA ALA 81 HA ALA 81 5.523 -3.419 7.210 378 HB1 ALA 81 HB1 ALA 81 7.269 -3.401 9.031 379 HB2 ALA 81 HB2 ALA 81 6.624 -4.963 9.590 380 HB3 ALA 81 HB3 ALA 81 7.340 -4.825 7.966 381 H PHE 82 HN PHE 82 5.634 -5.700 6.257 382 HA PHE 82 HA PHE 82 3.709 -7.524 7.420 383 HB2 PHE 82 HB2 PHE 82 3.543 -6.312 4.594 384 HB3 PHE 82 HB3 PHE 82 2.490 -7.581 5.187 385 HD1 PHE 82 HD1 PHE 82 3.402 -4.026 5.617 386 HD2 PHE 82 HD2 PHE 82 0.583 -7.072 6.503 387 HE1 PHE 82 HE1 PHE 82 1.802 -2.295 6.480 388 HE2 PHE 82 HE2 PHE 82 -1.017 -5.341 7.366 389 HZ PHE 82 HZ PHE 82 -0.388 -2.973 7.344 390 H GLY 83 HN GLY 83 5.095 -9.256 7.588 391 HA2 GLY 83 HA1 GLY 83 6.824 -9.866 5.290 392 HA3 GLY 83 HA2 GLY 83 6.995 -10.470 6.926 393 H GLU 84 HN GLU 84 7.177 -12.583 5.624 394 HA GLU 84 HA GLU 84 4.788 -13.544 4.457 395 HB2 GLU 84 HB2 GLU 84 7.154 -14.230 3.820 396 HB3 GLU 84 HB3 GLU 84 7.243 -15.132 5.320 397 HG2 GLU 84 HG2 GLU 84 5.296 -16.514 4.641 398 HG3 GLU 84 HG3 GLU 84 5.114 -15.574 3.173 399 HE2 GLU 84 HE2 GLU 84 7.619 -15.560 2.054 400 H ALA 85 HN ALA 85 5.482 -12.875 7.612 401 HA ALA 85 HA ALA 85 4.820 -15.228 8.971 402 HB1 ALA 85 HB1 ALA 85 3.942 -12.875 10.386 403 HB2 ALA 85 HB2 ALA 85 5.378 -13.885 10.681 404 HB3 ALA 85 HB3 ALA 85 5.470 -12.514 9.549 405 H MET 86 HN MET 86 2.851 -12.547 7.594 406 HA MET 86 HA MET 86 0.511 -14.181 8.213 407 HB2 MET 86 HB2 MET 86 0.827 -11.828 9.341 408 HB3 MET 86 HB3 MET 86 0.520 -11.156 7.752 409 HG2 MET 86 HG2 MET 86 -1.706 -12.122 7.667 410 HG3 MET 86 HG3 MET 86 -1.396 -13.134 9.063 411 HE1 MET 86 HE1 MET 86 -0.335 -12.186 11.066 412 HE2 MET 86 HE2 MET 86 0.018 -10.448 11.224 413 HE3 MET 86 HE3 MET 86 -1.407 -11.145 12.032 414 H ILE 87 HN ILE 87 1.781 -11.636 5.943 415 HA ILE 87 HA ILE 87 0.266 -12.997 3.824 416 HB ILE 87 HB ILE 87 0.979 -10.069 4.008 417 HG12 ILE 87 HG1 ILE 87 -1.427 -11.610 4.884 418 HG13 ILE 87 HG1 ILE 87 -0.657 -10.217 5.616 419 HG22 ILE 87 HG2 ILE 87 0.678 -11.353 1.724 420 HG22 ILE 87 HG2 ILE 87 -1.050 -11.193 2.119 421 HG22 ILE 87 HG2 ILE 87 -0.031 -9.740 1.980 422 HD11 ILE 87 HD1 ILE 87 -2.644 -9.312 4.712 423 HD11 ILE 87 HD1 ILE 87 -1.432 -8.923 3.468 424 HD11 ILE 87 HD1 ILE 87 -2.533 -10.302 3.237 425 HA PRO 88 HA PRO 88 4.363 -13.894 2.392 426 HB2 PRO 88 HB2 PRO 88 3.599 -15.466 0.300 427 HB3 PRO 88 HB3 PRO 88 3.412 -15.999 2.002 428 HG2 PRO 88 HG2 PRO 88 1.697 -14.710 0.296 429 HG3 PRO 88 HG3 PRO 88 0.985 -16.149 1.096 430 HD2 PRO 88 HD2 PRO 88 0.290 -13.836 2.094 431 HD3 PRO 88 HD3 PRO 88 1.042 -14.965 3.263 432 HA PRO 89 HA PRO 89 5.153 -10.589 -0.401 433 HB2 PRO 89 HB2 PRO 89 6.863 -12.676 -1.793 434 HB3 PRO 89 HB3 PRO 89 7.251 -11.002 -1.279 435 HG2 PRO 89 HG2 PRO 89 8.057 -13.206 0.216 436 HG3 PRO 89 HG3 PRO 89 7.622 -11.537 0.707 437 HD2 PRO 89 HD2 PRO 89 6.102 -14.137 1.012 438 HD3 PRO 89 HD3 PRO 89 6.070 -12.677 2.047 439 H ALA 90 HN ALA 90 4.698 -13.921 -1.847 440 HA ALA 90 HA ALA 90 3.914 -13.021 -4.351 441 HB1 ALA 90 HB1 ALA 90 2.584 -15.464 -3.342 442 HB2 ALA 90 HB2 ALA 90 3.658 -15.242 -4.744 443 HB3 ALA 90 HB3 ALA 90 4.349 -15.441 -3.115 444 H ASP 91 HN ASP 91 2.051 -13.571 -1.315 445 HA ASP 91 HA ASP 91 -0.429 -13.114 -2.527 446 HB2 ASP 91 HB2 ASP 91 0.591 -13.045 0.336 447 HB3 ASP 91 HB3 ASP 91 -1.069 -12.615 -0.025 448 HD2 ASP 91 HD2 ASP 91 0.008 -16.412 -0.757 449 H ALA 92 HN ALA 92 2.228 -11.081 -1.861 450 HA ALA 92 HA ALA 92 0.672 -8.744 -1.157 451 HB1 ALA 92 HB1 ALA 92 3.485 -8.347 -1.890 452 HB2 ALA 92 HB2 ALA 92 2.644 -7.988 -0.363 453 HB3 ALA 92 HB3 ALA 92 3.272 -9.625 -0.669 454 H LEU 93 HN LEU 93 2.331 -10.235 -3.958 455 HA LEU 93 HA LEU 93 2.272 -7.995 -5.623 456 HB2 LEU 93 HB2 LEU 93 2.332 -10.961 -6.149 457 HB3 LEU 93 HB3 LEU 93 2.374 -9.776 -7.440 458 HG LEU 93 HG LEU 93 4.397 -9.858 -5.188 459 HD11 LEU 93 HD1 LEU 93 4.391 -11.960 -6.534 460 HD11 LEU 93 HD1 LEU 93 4.739 -10.982 -7.979 461 HD11 LEU 93 HD1 LEU 93 5.905 -11.030 -6.636 462 HD22 LEU 93 HD2 LEU 93 4.500 -7.720 -6.076 463 HD22 LEU 93 HD2 LEU 93 5.732 -8.592 -7.019 464 HD22 LEU 93 HD2 LEU 93 4.132 -8.271 -7.728 465 H LYS 94 HN LYS 94 -0.264 -9.971 -4.340 466 HA LYS 94 HA LYS 94 -2.060 -9.419 -6.537 467 HB2 LYS 94 HB2 LYS 94 -3.574 -10.862 -5.458 468 HB3 LYS 94 HB3 LYS 94 -1.998 -11.594 -5.235 469 HG2 LYS 94 HG2 LYS 94 -2.297 -11.550 -2.991 470 HG3 LYS 94 HG3 LYS 94 -2.364 -9.800 -3.035 471 HD2 LYS 94 HD2 LYS 94 -4.437 -10.444 -2.052 472 HD3 LYS 94 HD3 LYS 94 -4.848 -10.044 -3.708 473 HE2 LYS 94 HE2 LYS 94 -4.650 -12.505 -4.299 474 HE3 LYS 94 HE3 LYS 94 -4.378 -12.854 -2.603 475 HZ1 LYS 94 HZ1 LYS 94 -6.645 -11.314 -2.609 476 HZ2 LYS 94 HZ2 LYS 94 -6.849 -12.260 -3.919 477 H ILE 95 HN ILE 95 -0.956 -7.937 -3.595 478 HA ILE 95 HA ILE 95 -3.379 -6.447 -3.172 479 HB ILE 95 HB ILE 95 -0.651 -6.052 -1.944 480 HG12 ILE 95 HG1 ILE 95 -1.571 -8.418 -1.766 481 HG13 ILE 95 HG1 ILE 95 -1.163 -7.610 -0.266 482 HG22 ILE 95 HG2 ILE 95 -3.199 -4.718 -1.660 483 HG22 ILE 95 HG2 ILE 95 -2.699 -5.460 -0.121 484 HG22 ILE 95 HG2 ILE 95 -1.616 -4.318 -0.951 485 HD11 ILE 95 HD1 ILE 95 -3.927 -7.023 -1.027 486 HD11 ILE 95 HD1 ILE 95 -3.643 -8.777 -0.928 487 HD11 ILE 95 HD1 ILE 95 -3.301 -7.740 0.477 488 H GLY 96 HN GLY 96 -0.178 -6.018 -4.722 489 HA2 GLY 96 HA1 GLY 96 -0.209 -3.270 -5.102 490 HA3 GLY 96 HA2 GLY 96 0.584 -4.444 -6.133 491 H GLU 97 HN GLU 97 -2.225 -5.784 -6.521 492 HA GLU 97 HA GLU 97 -2.789 -4.348 -8.888 493 HB2 GLU 97 HB2 GLU 97 -4.576 -6.494 -7.708 494 HB3 GLU 97 HB3 GLU 97 -4.289 -6.123 -9.397 495 HG2 GLU 97 HG2 GLU 97 -1.807 -6.784 -8.937 496 HG3 GLU 97 HG3 GLU 97 -2.393 -7.475 -7.438 497 HE2 GLU 97 HE2 GLU 97 -2.043 -8.227 -10.731 498 H TYR 98 HN TYR 98 -4.555 -5.024 -5.846 499 HA TYR 98 HA TYR 98 -6.914 -3.645 -6.306 500 HB2 TYR 98 HB2 TYR 98 -6.351 -5.018 -4.309 501 HB3 TYR 98 HB3 TYR 98 -5.306 -3.710 -3.731 502 HD1 TYR 98 HD1 TYR 98 -6.180 -2.141 -2.262 503 HD2 TYR 98 HD2 TYR 98 -8.846 -4.308 -4.841 504 HE1 TYR 98 HE1 TYR 98 -8.123 -1.081 -1.144 505 HE2 TYR 98 HE2 TYR 98 -10.789 -3.248 -3.723 506 HH TYR 98 HH TYR 98 -10.427 -1.119 -0.900 507 H VAL 99 HN VAL 99 -3.642 -2.324 -5.768 508 HA VAL 99 HA VAL 99 -4.795 0.336 -5.454 509 HB VAL 99 HB VAL 99 -1.994 -0.764 -5.186 510 HG11 VAL 99 HG1 VAL 99 -2.001 1.775 -4.063 511 HG11 VAL 99 HG1 VAL 99 -1.274 1.314 -5.621 512 HG11 VAL 99 HG1 VAL 99 -2.922 1.984 -5.573 513 HG22 VAL 99 HG2 VAL 99 -4.082 -0.905 -3.414 514 HG22 VAL 99 HG2 VAL 99 -2.358 -0.921 -2.968 515 HG22 VAL 99 HG2 VAL 99 -3.279 0.601 -2.910 516 H VAL 100 HN VAL 100 -5.098 -1.184 -7.971 517 HA VAL 100 HA VAL 100 -3.913 0.823 -9.695 518 HB VAL 100 HB VAL 100 -3.417 -2.145 -9.993 519 HG11 VAL 100 HG1 VAL 100 -3.507 -1.770 -12.204 520 HG11 VAL 100 HG1 VAL 100 -3.539 -0.003 -11.993 521 HG11 VAL 100 HG1 VAL 100 -1.985 -0.871 -11.988 522 HG22 VAL 100 HG2 VAL 100 -1.902 -0.976 -8.430 523 HG22 VAL 100 HG2 VAL 100 -1.053 -1.542 -9.888 524 HG22 VAL 100 HG2 VAL 100 -1.479 0.178 -9.717 525 H ALA 101 HN ALA 101 -6.598 -0.182 -8.532 526 HA ALA 101 HA ALA 101 -7.914 -0.420 -11.147 527 HB1 ALA 101 HB1 ALA 101 -8.972 -2.314 -10.527 528 HB2 ALA 101 HB2 ALA 101 -7.777 -2.426 -9.212 529 HB3 ALA 101 HB3 ALA 101 -9.358 -1.663 -8.917 530 H SER 102 HN SER 102 -7.174 1.869 -9.255 531 HA SER 102 HA SER 102 -9.795 3.019 -9.302 532 HB2 SER 102 HB2 SER 102 -9.467 3.858 -6.873 533 HB3 SER 102 HB3 SER 102 -9.998 2.203 -7.093 534 HG SER 102 HG SER 102 -7.844 1.466 -6.730 535 H PHE 103 HN PHE 103 -6.316 3.289 -8.347 536 HA PHE 103 HA PHE 103 -6.158 5.758 -9.832 537 HB2 PHE 103 HB2 PHE 103 -4.826 6.504 -7.543 538 HB3 PHE 103 HB3 PHE 103 -6.514 6.891 -7.810 539 HD1 PHE 103 HD1 PHE 103 -4.919 3.651 -6.878 540 HD2 PHE 103 HD2 PHE 103 -7.533 6.792 -5.733 541 HE1 PHE 103 HE1 PHE 103 -5.539 2.379 -4.805 542 HE2 PHE 103 HE2 PHE 103 -8.153 5.520 -3.660 543 HZ PHE 103 HZ PHE 103 -7.149 3.328 -3.221 544 HA PRO 104 HA PRO 104 -2.359 3.270 -10.147 545 HB2 PRO 104 HB2 PRO 104 -2.351 2.826 -12.793 546 HB3 PRO 104 HB3 PRO 104 -3.549 1.991 -11.752 547 HG2 PRO 104 HG2 PRO 104 -4.086 4.451 -13.452 548 HG3 PRO 104 HG3 PRO 104 -5.077 2.981 -13.179 549 HD2 PRO 104 HD2 PRO 104 -5.307 5.475 -11.808 550 HD3 PRO 104 HD3 PRO 104 -5.996 3.915 -11.262 Start of MODEL 15 1 H ALA 25 HN ALA 25 -12.008 -6.386 -6.357 2 HA ALA 25 HA ALA 25 -12.666 -8.172 -5.027 3 HB1 ALA 25 HB1 ALA 25 -13.775 -9.531 -6.557 4 HB2 ALA 25 HB2 ALA 25 -13.376 -8.124 -7.571 5 HB3 ALA 25 HB3 ALA 25 -12.385 -9.599 -7.666 6 H GLY 26 HN GLY 26 -11.325 -9.039 -3.488 7 HA2 GLY 26 HA1 GLY 26 -10.311 -11.201 -2.991 8 HA3 GLY 26 HA2 GLY 26 -9.353 -11.027 -4.448 9 H GLY 27 HN GLY 27 -7.885 -9.026 -4.575 10 HA2 GLY 27 HA1 GLY 27 -6.162 -8.969 -2.375 11 HA3 GLY 27 HA2 GLY 27 -6.167 -7.854 -3.727 12 H GLY 28 HN GLY 28 -9.089 -7.107 -3.148 13 HA2 GLY 28 HA1 GLY 28 -8.557 -4.853 -1.525 14 HA3 GLY 28 HA2 GLY 28 -10.117 -5.394 -2.112 15 H GLU 29 HN GLU 29 -10.149 -8.047 -0.946 16 HA GLU 29 HA GLU 29 -11.207 -7.438 1.515 17 HB2 GLU 29 HB2 GLU 29 -11.745 -9.471 0.179 18 HB3 GLU 29 HB3 GLU 29 -10.150 -10.117 0.508 19 HG2 GLU 29 HG2 GLU 29 -11.519 -11.161 2.141 20 HG3 GLU 29 HG3 GLU 29 -10.739 -9.865 3.027 21 HE2 GLU 29 HE2 GLU 29 -13.864 -10.127 4.031 22 H LEU 30 HN LEU 30 -7.888 -8.139 0.519 23 HA LEU 30 HA LEU 30 -7.016 -8.670 3.213 24 HB2 LEU 30 HB2 LEU 30 -5.404 -8.238 0.695 25 HB3 LEU 30 HB3 LEU 30 -4.819 -8.884 2.216 26 HG LEU 30 HG LEU 30 -6.781 -10.188 0.313 27 HD11 LEU 30 HD1 LEU 30 -3.882 -10.423 0.809 28 HD11 LEU 30 HD1 LEU 30 -4.762 -11.966 0.703 29 HD11 LEU 30 HD1 LEU 30 -4.842 -10.802 -0.641 30 HD22 LEU 30 HD2 LEU 30 -5.976 -10.963 3.117 31 HD22 LEU 30 HD2 LEU 30 -7.608 -10.787 2.428 32 HD22 LEU 30 HD2 LEU 30 -6.575 -12.150 1.934 33 H PHE 31 HN PHE 31 -6.891 -6.002 0.792 34 HA PHE 31 HA PHE 31 -5.317 -4.327 2.436 35 HB2 PHE 31 HB2 PHE 31 -5.430 -4.004 0.011 36 HB3 PHE 31 HB3 PHE 31 -7.182 -4.027 0.023 37 HD1 PHE 31 HD1 PHE 31 -8.312 -2.086 1.403 38 HD2 PHE 31 HD2 PHE 31 -4.343 -1.965 -0.094 39 HE1 PHE 31 HE1 PHE 31 -8.344 0.421 1.521 40 HE2 PHE 31 HE2 PHE 31 -4.375 0.542 0.024 41 HZ PHE 31 HZ PHE 31 -6.375 1.705 0.830 42 H ALA 32 HN ALA 32 -8.753 -5.111 2.262 43 HA ALA 32 HA ALA 32 -9.457 -2.736 3.787 44 HB1 ALA 32 HB1 ALA 32 -11.774 -3.617 3.469 45 HB2 ALA 32 HB2 ALA 32 -10.907 -3.381 1.933 46 HB3 ALA 32 HB3 ALA 32 -11.093 -5.018 2.608 47 H THR 33 HN THR 33 -7.615 -4.285 5.170 48 HA THR 33 HA THR 33 -9.051 -4.853 7.535 49 HB THR 33 HB THR 33 -8.269 -7.142 5.699 50 HG1 THR 33 HG1 THR 33 -10.390 -7.786 6.705 51 HG22 THR 33 HG2 THR 33 -8.733 -7.395 8.712 52 HG22 THR 33 HG2 THR 33 -8.322 -8.696 7.569 53 HG22 THR 33 HG2 THR 33 -7.111 -7.458 7.981 54 H HIS 34 HN HIS 34 -6.078 -5.279 5.570 55 HA HIS 34 HA HIS 34 -4.554 -4.981 8.043 56 HB2 HIS 34 HB2 HIS 34 -3.583 -5.832 5.302 57 HB3 HIS 34 HB3 HIS 34 -2.659 -5.847 6.792 58 HD1 HIS 34 HD1 HIS 34 -3.471 -7.618 8.668 59 HD2 HIS 34 HD2 HIS 34 -5.108 -8.097 4.836 60 HE1 HIS 34 HE1 HIS 34 -4.454 -9.972 8.600 61 H CYS 35 HN CYS 35 -5.878 -3.173 5.518 62 HA CYS 35 HA CYS 35 -3.814 -1.133 5.905 63 HB2 CYS 35 HB2 CYS 35 -5.345 -1.350 3.331 64 HB3 CYS 35 HB3 CYS 35 -3.862 -0.479 3.666 65 H ALA 36 HN ALA 36 -7.227 -1.956 5.006 66 HA ALA 36 HA ALA 36 -8.450 0.407 4.948 67 HB1 ALA 36 HB1 ALA 36 -10.135 -1.096 6.589 68 HB2 ALA 36 HB2 ALA 36 -10.075 -1.152 4.811 69 HB3 ALA 36 HB3 ALA 36 -9.137 -2.322 5.771 70 H GLY 37 HN GLY 37 -6.997 -1.140 7.819 71 HA2 GLY 37 HA1 GLY 37 -8.103 0.806 9.648 72 HA3 GLY 37 HA2 GLY 37 -6.966 -0.479 10.002 73 H CYS 38 HN CYS 38 -6.806 2.208 7.566 74 HA CYS 38 HA CYS 38 -5.213 3.932 8.907 75 HB2 CYS 38 HB2 CYS 38 -3.700 1.536 8.246 76 HB3 CYS 38 HB3 CYS 38 -3.017 2.944 7.459 77 H HIS 39 HN HIS 39 -5.951 2.110 5.935 78 HA HIS 39 HA HIS 39 -5.623 4.606 4.433 79 HB2 HIS 39 HB2 HIS 39 -5.175 1.735 3.613 80 HB3 HIS 39 HB3 HIS 39 -5.432 3.003 2.432 81 HD1 HIS 39 HD1 HIS 39 -3.679 5.211 2.922 82 HD2 HIS 39 HD2 HIS 39 -2.529 1.363 4.133 83 HE1 HIS 39 HE1 HIS 39 -1.143 5.275 3.192 84 HA PRO 40 HA PRO 40 -10.100 3.315 4.667 85 HB2 PRO 40 HB2 PRO 40 -11.070 5.543 5.872 86 HB3 PRO 40 HB3 PRO 40 -10.243 4.260 6.814 87 HG2 PRO 40 HG2 PRO 40 -8.748 6.946 5.810 88 HG3 PRO 40 HG3 PRO 40 -9.060 6.118 7.370 89 HD2 PRO 40 HD2 PRO 40 -6.862 5.618 5.701 90 HD3 PRO 40 HD3 PRO 40 -7.541 4.416 6.841 91 H GLN 41 HN GLN 41 -10.665 3.481 2.474 92 HA GLN 41 HA GLN 41 -11.220 4.381 0.578 93 HB2 GLN 41 HB2 GLN 41 -12.084 6.365 2.572 94 HB3 GLN 41 HB3 GLN 41 -11.784 7.098 1.009 95 HG2 GLN 41 HG2 GLN 41 -14.023 6.429 0.787 96 HG3 GLN 41 HG3 GLN 41 -13.181 5.081 0.048 97 HE21 GLN 41 HE2 GLN 41 -15.700 5.690 1.839 98 HE21 GLN 41 HE2 GLN 41 -15.742 4.354 2.940 99 H GLY 42 HN GLY 42 -8.703 4.057 0.363 100 HA2 GLY 42 HA1 GLY 42 -6.666 4.824 -0.264 101 HA3 GLY 42 HA2 GLY 42 -7.616 5.808 -1.360 102 H GLY 43 HN GLY 43 -7.874 6.201 2.173 103 HA2 GLY 43 HA1 GLY 43 -6.659 8.873 1.885 104 HA3 GLY 43 HA2 GLY 43 -7.849 8.396 3.080 105 H ASN 44 HN ASN 44 -6.365 9.246 4.738 106 HA ASN 44 HA ASN 44 -4.569 7.165 5.566 107 HB2 ASN 44 HB2 ASN 44 -3.660 10.064 5.163 108 HB3 ASN 44 HB3 ASN 44 -2.727 8.861 6.032 109 HD21 ASN 44 HD2 ASN 44 -1.147 8.065 4.896 110 HD21 ASN 44 HD2 ASN 44 -1.136 7.712 3.200 111 H THR 45 HN THR 45 -4.312 7.198 7.902 112 HA THR 45 HA THR 45 -5.993 9.209 9.246 113 HB THR 45 HB THR 45 -5.946 7.239 11.034 114 HG1 THR 45 HG1 THR 45 -5.557 5.853 8.496 115 HG22 THR 45 HG2 THR 45 -7.543 7.568 8.536 116 HG22 THR 45 HG2 THR 45 -7.544 5.915 9.196 117 HG22 THR 45 HG2 THR 45 -8.100 7.275 10.201 118 H VAL 46 HN VAL 46 -2.806 8.470 8.552 119 HA VAL 46 HA VAL 46 -1.933 9.530 11.150 120 HB VAL 46 HB VAL 46 -0.480 7.830 9.114 121 HG11 VAL 46 HG1 VAL 46 0.864 9.622 10.422 122 HG11 VAL 46 HG1 VAL 46 0.594 8.571 11.834 123 HG11 VAL 46 HG1 VAL 46 1.461 7.945 10.410 124 HG22 VAL 46 HG2 VAL 46 -1.631 6.207 10.187 125 HG22 VAL 46 HG2 VAL 46 -0.409 6.448 11.459 126 HG22 VAL 46 HG2 VAL 46 -1.996 7.243 11.588 127 H HIS 47 HN HIS 47 -1.130 9.529 7.603 128 HA HIS 47 HA HIS 47 -0.326 12.323 7.977 129 HB2 HIS 47 HB2 HIS 47 0.774 10.200 6.123 130 HB3 HIS 47 HB3 HIS 47 1.119 11.907 5.930 131 HD1 HIS 47 HD1 HIS 47 3.609 10.539 6.348 132 HD2 HIS 47 HD2 HIS 47 1.160 11.434 9.634 133 HE1 HIS 47 HE1 HIS 47 5.119 10.471 8.405 134 HA PRO 48 HA PRO 48 -3.861 12.809 5.281 135 HB2 PRO 48 HB2 PRO 48 -4.503 15.311 5.991 136 HB3 PRO 48 HB3 PRO 48 -4.647 13.985 7.190 137 HG2 PRO 48 HG2 PRO 48 -2.497 15.703 6.665 138 HG3 PRO 48 HG3 PRO 48 -2.958 15.638 8.398 139 HD2 PRO 48 HD2 PRO 48 -0.858 14.221 7.648 140 HD3 PRO 48 HD3 PRO 48 -2.128 13.344 8.554 141 H GLU 49 HN GLU 49 -0.765 13.336 4.711 142 HA GLU 49 HA GLU 49 -1.365 15.172 2.534 143 HB2 GLU 49 HB2 GLU 49 1.023 16.059 2.821 144 HB3 GLU 49 HB3 GLU 49 -0.137 16.559 4.035 145 HG2 GLU 49 HG2 GLU 49 0.732 15.052 5.671 146 HG3 GLU 49 HG3 GLU 49 1.556 14.076 4.471 147 HE2 GLU 49 HE2 GLU 49 3.347 17.036 6.233 148 H LYS 50 HN LYS 50 -0.726 12.084 3.332 149 HA LYS 50 HA LYS 50 0.889 11.679 0.919 150 HB2 LYS 50 HB2 LYS 50 1.225 10.080 3.470 151 HB3 LYS 50 HB3 LYS 50 2.165 9.945 1.998 152 HG2 LYS 50 HG2 LYS 50 2.050 12.686 3.187 153 HG3 LYS 50 HG3 LYS 50 2.895 11.490 4.150 154 HD2 LYS 50 HD2 LYS 50 4.446 10.996 2.360 155 HD3 LYS 50 HD3 LYS 50 3.476 11.858 1.182 156 HE2 LYS 50 HE2 LYS 50 4.074 13.993 2.058 157 HE3 LYS 50 HE3 LYS 50 4.577 13.328 3.599 158 HZ1 LYS 50 HZ1 LYS 50 6.336 13.940 1.755 159 HZ2 LYS 50 HZ2 LYS 50 6.587 12.655 2.725 160 H THR 51 HN THR 51 -1.400 11.559 0.059 161 HA THR 51 HA THR 51 -2.888 9.217 0.882 162 HB THR 51 HB THR 51 -4.539 10.125 -0.743 163 HG1 THR 51 HG1 THR 51 -3.536 11.213 -2.388 164 HG22 THR 51 HG2 THR 51 -3.174 12.065 1.151 165 HG22 THR 51 HG2 THR 51 -4.432 12.667 0.045 166 HG22 THR 51 HG2 THR 51 -4.823 11.399 1.232 167 H LEU 52 HN LEU 52 -3.926 8.094 -1.310 168 HA LEU 52 HA LEU 52 -1.564 6.843 -2.465 169 HB2 LEU 52 HB2 LEU 52 -4.474 6.032 -2.415 170 HB3 LEU 52 HB3 LEU 52 -3.202 5.126 -3.208 171 HG LEU 52 HG LEU 52 -3.324 5.720 -0.238 172 HD11 LEU 52 HD1 LEU 52 -5.049 4.098 -1.352 173 HD11 LEU 52 HD1 LEU 52 -3.663 2.984 -1.418 174 HD11 LEU 52 HD1 LEU 52 -4.212 3.631 0.147 175 HD22 LEU 52 HD2 LEU 52 -1.190 4.757 -1.954 176 HD22 LEU 52 HD2 LEU 52 -1.156 5.233 -0.240 177 HD22 LEU 52 HD2 LEU 52 -1.606 3.571 -0.693 178 H ALA 53 HN ALA 53 -2.739 9.610 -3.167 179 HA ALA 53 HA ALA 53 -3.774 9.239 -5.813 180 HB1 ALA 53 HB1 ALA 53 -4.390 11.111 -4.236 181 HB2 ALA 53 HB2 ALA 53 -2.748 11.763 -4.458 182 HB3 ALA 53 HB3 ALA 53 -3.858 11.656 -5.845 183 H ARG 54 HN ARG 54 -2.648 9.150 -7.713 184 HA ARG 54 HA ARG 54 -0.028 8.556 -7.755 185 HB2 ARG 54 HB2 ARG 54 -1.626 8.271 -9.667 186 HB3 ARG 54 HB3 ARG 54 -1.614 10.002 -9.939 187 HG2 ARG 54 HG2 ARG 54 0.982 9.753 -10.171 188 HG3 ARG 54 HG3 ARG 54 0.674 8.034 -10.318 189 HD2 ARG 54 HD2 ARG 54 0.366 8.436 -12.543 190 HD3 ARG 54 HD3 ARG 54 -1.193 9.096 -12.089 191 HE ARG 54 HE ARG 54 0.834 11.115 -11.761 192 H ALA 55 HN ALA 55 -1.580 11.799 -8.214 193 HA ALA 55 HA ALA 55 0.490 13.339 -8.949 194 HB1 ALA 55 HB1 ALA 55 -0.622 15.146 -7.613 195 HB2 ALA 55 HB2 ALA 55 -1.762 14.189 -8.589 196 HB3 ALA 55 HB3 ALA 55 -1.630 13.901 -6.837 197 H ARG 56 HN ARG 56 -0.168 12.074 -5.630 198 HA ARG 56 HA ARG 56 2.197 13.355 -4.673 199 HB2 ARG 56 HB2 ARG 56 -0.203 12.305 -3.523 200 HB3 ARG 56 HB3 ARG 56 1.103 11.349 -2.852 201 HG2 ARG 56 HG2 ARG 56 1.025 14.404 -2.869 202 HG3 ARG 56 HG3 ARG 56 0.589 13.406 -1.495 203 HD2 ARG 56 HD2 ARG 56 2.866 12.500 -1.346 204 HD3 ARG 56 HD3 ARG 56 3.327 13.282 -2.845 205 HE ARG 56 HE ARG 56 3.272 14.510 -0.239 206 H ARG 57 HN ARG 57 0.975 10.002 -5.298 207 HA ARG 57 HA ARG 57 3.119 8.631 -4.341 208 HB2 ARG 57 HB2 ARG 57 0.816 8.108 -6.018 209 HB3 ARG 57 HB3 ARG 57 2.201 7.316 -6.744 210 HG2 ARG 57 HG2 ARG 57 2.013 5.659 -5.212 211 HG3 ARG 57 HG3 ARG 57 2.436 6.807 -3.957 212 HD2 ARG 57 HD2 ARG 57 0.349 6.540 -3.100 213 HD3 ARG 57 HD3 ARG 57 -0.285 7.357 -4.515 214 HE ARG 57 HE ARG 57 -0.226 4.439 -4.046 215 H GLU 58 HN GLU 58 2.909 10.756 -7.083 216 HA GLU 58 HA GLU 58 4.974 9.504 -8.578 217 HB2 GLU 58 HB2 GLU 58 4.426 11.011 -10.213 218 HB3 GLU 58 HB3 GLU 58 2.987 11.232 -9.237 219 HG2 GLU 58 HG2 GLU 58 4.074 13.145 -8.054 220 HG3 GLU 58 HG3 GLU 58 5.527 12.916 -9.006 221 HE2 GLU 58 HE2 GLU 58 2.246 12.746 -10.384 222 H ALA 59 HN ALA 59 4.671 12.384 -6.408 223 HA ALA 59 HA ALA 59 7.183 13.427 -6.697 224 HB1 ALA 59 HB1 ALA 59 5.275 14.388 -5.398 225 HB2 ALA 59 HB2 ALA 59 5.574 13.182 -4.124 226 HB3 ALA 59 HB3 ALA 59 6.809 14.408 -4.496 227 H ASN 60 HN ASN 60 6.102 10.889 -4.328 228 HA ASN 60 HA ASN 60 8.767 10.464 -3.491 229 HB2 ASN 60 HB2 ASN 60 6.108 9.055 -3.019 230 HB3 ASN 60 HB3 ASN 60 7.596 8.338 -2.435 231 HD21 ASN 60 HD2 ASN 60 6.628 11.743 -2.719 232 HD21 ASN 60 HD2 ASN 60 6.754 12.153 -1.041 233 H GLY 61 HN GLY 61 6.493 9.122 -5.886 234 HA2 GLY 61 HA1 GLY 61 7.032 7.880 -7.737 235 HA3 GLY 61 HA2 GLY 61 8.623 7.550 -7.078 236 H ILE 62 HN ILE 62 5.139 6.690 -6.850 237 HA ILE 62 HA ILE 62 5.961 4.004 -6.089 238 HB ILE 62 HB ILE 62 3.885 5.578 -4.560 239 HG12 ILE 62 HG1 ILE 62 6.757 4.900 -3.959 240 HG13 ILE 62 HG1 ILE 62 5.938 6.444 -3.833 241 HG22 ILE 62 HG2 ILE 62 4.908 2.746 -4.222 242 HG22 ILE 62 HG2 ILE 62 3.835 3.596 -3.086 243 HG22 ILE 62 HG2 ILE 62 3.279 3.241 -4.739 244 HD11 ILE 62 HD1 ILE 62 4.430 5.250 -2.041 245 HD11 ILE 62 HD1 ILE 62 5.738 4.043 -1.994 246 HD11 ILE 62 HD1 ILE 62 6.079 5.742 -1.584 247 H ARG 63 HN ARG 63 5.419 4.397 -8.609 248 HA ARG 63 HA ARG 63 2.569 3.852 -8.856 249 HB2 ARG 63 HB2 ARG 63 4.277 4.676 -11.218 250 HB3 ARG 63 HB3 ARG 63 2.560 4.924 -10.969 251 HG2 ARG 63 HG2 ARG 63 3.324 6.447 -8.946 252 HG3 ARG 63 HG3 ARG 63 4.882 6.450 -9.749 253 HD2 ARG 63 HD2 ARG 63 2.396 7.082 -11.363 254 HD3 ARG 63 HD3 ARG 63 3.071 8.318 -10.321 255 HE ARG 63 HE ARG 63 5.013 6.984 -12.103 256 H THR 64 HN THR 64 3.740 1.630 -8.094 257 HA THR 64 HA THR 64 3.830 0.002 -10.470 258 HB THR 64 HB THR 64 6.104 -0.945 -9.815 259 HG1 THR 64 HG1 THR 64 7.087 0.063 -8.060 260 HG22 THR 64 HG2 THR 64 5.856 0.962 -11.552 261 HG22 THR 64 HG2 THR 64 6.267 2.078 -10.227 262 HG22 THR 64 HG2 THR 64 7.440 0.845 -10.748 263 H VAL 65 HN VAL 65 3.506 -2.237 -10.042 264 HA VAL 65 HA VAL 65 1.905 -2.665 -7.764 265 HB VAL 65 HB VAL 65 3.064 -4.444 -9.903 266 HG11 VAL 65 HG1 VAL 65 2.597 -6.266 -8.707 267 HG11 VAL 65 HG1 VAL 65 2.057 -5.258 -7.344 268 HG11 VAL 65 HG1 VAL 65 0.897 -5.749 -8.601 269 HG22 VAL 65 HG2 VAL 65 0.585 -2.885 -9.530 270 HG22 VAL 65 HG2 VAL 65 1.386 -3.434 -11.021 271 HG22 VAL 65 HG2 VAL 65 0.339 -4.549 -10.111 272 H ARG 66 HN ARG 66 5.209 -3.824 -8.718 273 HA ARG 66 HA ARG 66 5.740 -5.380 -6.614 274 HB2 ARG 66 HB2 ARG 66 7.483 -3.474 -8.211 275 HB3 ARG 66 HB3 ARG 66 8.192 -4.392 -6.898 276 HG2 ARG 66 HG2 ARG 66 7.229 -6.507 -7.975 277 HG3 ARG 66 HG3 ARG 66 6.765 -5.522 -9.348 278 HD2 ARG 66 HD2 ARG 66 9.243 -4.773 -9.473 279 HD3 ARG 66 HD3 ARG 66 9.589 -6.050 -8.324 280 HE ARG 66 HE ARG 66 9.284 -7.635 -10.023 281 H ASP 67 HN ASP 67 6.737 -1.874 -6.797 282 HA ASP 67 HA ASP 67 7.695 -1.440 -4.415 283 HB2 ASP 67 HB2 ASP 67 5.755 0.178 -6.072 284 HB3 ASP 67 HB3 ASP 67 6.185 0.785 -4.486 285 HD2 ASP 67 HD2 ASP 67 8.543 -0.739 -6.717 286 H VAL 68 HN VAL 68 4.188 -1.814 -5.210 287 HA VAL 68 HA VAL 68 3.434 -1.454 -2.442 288 HB VAL 68 HB VAL 68 1.796 -2.183 -4.878 289 HG11 VAL 68 HG1 VAL 68 0.645 -0.805 -2.489 290 HG11 VAL 68 HG1 VAL 68 -0.105 -1.953 -3.624 291 HG11 VAL 68 HG1 VAL 68 0.997 -2.546 -2.357 292 HG22 VAL 68 HG2 VAL 68 3.068 0.032 -4.959 293 HG22 VAL 68 HG2 VAL 68 1.304 0.110 -5.182 294 HG22 VAL 68 HG2 VAL 68 2.024 0.558 -3.617 295 H ALA 69 HN ALA 69 5.228 -3.460 -2.407 296 HA ALA 69 HA ALA 69 3.688 -5.631 -1.463 297 HB1 ALA 69 HB1 ALA 69 3.430 -6.169 -3.822 298 HB2 ALA 69 HB2 ALA 69 5.180 -5.994 -4.092 299 HB3 ALA 69 HB3 ALA 69 4.563 -7.328 -3.088 300 H ALA 70 HN ALA 70 6.839 -4.407 -2.720 301 HA ALA 70 HA ALA 70 8.329 -6.108 -0.959 302 HB1 ALA 70 HB1 ALA 70 10.255 -4.864 -1.880 303 HB2 ALA 70 HB2 ALA 70 9.170 -5.423 -3.176 304 HB3 ALA 70 HB3 ALA 70 9.142 -3.719 -2.665 305 H TYR 71 HN TYR 71 8.050 -2.546 -1.299 306 HA TYR 71 HA TYR 71 9.240 -1.709 1.015 307 HB2 TYR 71 HB2 TYR 71 7.130 -0.722 -0.768 308 HB3 TYR 71 HB3 TYR 71 6.984 -0.098 0.883 309 HD1 TYR 71 HD1 TYR 71 7.584 2.169 0.530 310 HD2 TYR 71 HD2 TYR 71 10.159 -0.978 -0.854 311 HE1 TYR 71 HE1 TYR 71 9.363 3.832 0.061 312 HE2 TYR 71 HE2 TYR 71 11.939 0.685 -1.323 313 HH TYR 71 HH TYR 71 11.747 3.580 -1.832 314 H ILE 72 HN ILE 72 5.690 -2.581 0.756 315 HA ILE 72 HA ILE 72 4.942 -2.196 3.296 316 HB ILE 72 HB ILE 72 3.398 -4.121 2.984 317 HG12 ILE 72 HG1 ILE 72 4.411 -4.501 0.199 318 HG13 ILE 72 HG1 ILE 72 5.281 -5.294 1.497 319 HG22 ILE 72 HG2 ILE 72 2.053 -2.860 1.690 320 HG22 ILE 72 HG2 ILE 72 3.364 -1.667 1.847 321 HG22 ILE 72 HG2 ILE 72 3.264 -2.694 0.396 322 HD11 ILE 72 HD1 ILE 72 3.103 -6.385 0.287 323 HD11 ILE 72 HD1 ILE 72 3.548 -6.735 1.974 324 HD11 ILE 72 HD1 ILE 72 2.301 -5.517 1.617 325 H ARG 73 HN ARG 73 7.060 -4.807 2.071 326 HA ARG 73 HA ARG 73 7.000 -6.383 4.317 327 HB2 ARG 73 HB2 ARG 73 8.062 -6.885 2.031 328 HB3 ARG 73 HB3 ARG 73 9.433 -5.912 2.525 329 HG2 ARG 73 HG2 ARG 73 10.283 -7.592 3.800 330 HG3 ARG 73 HG3 ARG 73 8.753 -7.841 4.618 331 HD2 ARG 73 HD2 ARG 73 8.056 -9.497 3.126 332 HD3 ARG 73 HD3 ARG 73 8.938 -8.811 1.776 333 HE ARG 73 HE ARG 73 10.695 -9.818 3.890 334 H ASN 74 HN ASN 74 9.534 -3.946 3.337 335 HA ASN 74 HA ASN 74 9.966 -3.510 6.185 336 HB2 ASN 74 HB2 ASN 74 11.813 -4.842 4.831 337 HB3 ASN 74 HB3 ASN 74 12.205 -3.283 4.133 338 HD21 ASN 74 HD2 ASN 74 11.485 -4.753 7.297 339 HD21 ASN 74 HD2 ASN 74 12.708 -3.928 8.206 340 HA PRO 75 HA PRO 75 9.132 0.436 3.875 341 HB2 PRO 75 HB2 PRO 75 6.930 1.224 5.280 342 HB3 PRO 75 HB3 PRO 75 6.837 -0.010 3.982 343 HG2 PRO 75 HG2 PRO 75 6.917 -0.330 6.860 344 HG3 PRO 75 HG3 PRO 75 5.910 -1.286 5.724 345 HD2 PRO 75 HD2 PRO 75 8.314 -2.169 6.866 346 HD3 PRO 75 HD3 PRO 75 7.680 -2.761 5.300 347 H GLY 76 HN GLY 76 8.871 2.763 4.981 348 HA2 GLY 76 HA1 GLY 76 10.877 2.847 7.077 349 HA3 GLY 76 HA2 GLY 76 10.195 4.194 6.188 350 HA PRO 77 HA PRO 77 8.509 4.173 10.547 351 HB2 PRO 77 HB2 PRO 77 8.829 6.927 10.799 352 HB3 PRO 77 HB3 PRO 77 10.091 5.719 11.205 353 HG2 PRO 77 HG2 PRO 77 9.673 7.238 8.806 354 HG3 PRO 77 HG3 PRO 77 11.295 7.090 9.558 355 HD2 PRO 77 HD2 PRO 77 10.752 5.568 7.450 356 HD3 PRO 77 HD3 PRO 77 11.424 4.752 8.894 357 H GLY 78 HN GLY 78 6.406 5.076 11.221 358 HA2 GLY 78 HA1 GLY 78 4.503 6.366 10.840 359 HA3 GLY 78 HA2 GLY 78 4.973 6.598 9.167 360 H MET 79 HN MET 79 5.643 3.749 8.656 361 HA MET 79 HA MET 79 2.932 2.674 8.792 362 HB2 MET 79 HB2 MET 79 4.024 3.491 6.493 363 HB3 MET 79 HB3 MET 79 4.922 1.989 6.590 364 HG2 MET 79 HG2 MET 79 2.937 0.651 6.483 365 HG3 MET 79 HG3 MET 79 1.898 1.997 6.907 366 HE1 MET 79 HE1 MET 79 3.223 0.679 2.824 367 HE2 MET 79 HE2 MET 79 4.031 0.236 4.347 368 HE3 MET 79 HE3 MET 79 2.326 -0.204 4.083 369 HA PRO 80 HA PRO 80 4.628 -0.664 11.103 370 HB2 PRO 80 HB2 PRO 80 2.394 -2.195 9.775 371 HB3 PRO 80 HB3 PRO 80 2.783 -1.964 11.511 372 HG2 PRO 80 HG2 PRO 80 0.696 -0.621 10.348 373 HG3 PRO 80 HG3 PRO 80 1.813 -0.097 11.650 374 HD2 PRO 80 HD2 PRO 80 1.792 0.593 8.673 375 HD3 PRO 80 HD3 PRO 80 2.084 1.666 10.075 376 H ALA 81 HN ALA 81 4.046 -3.427 9.926 377 HA ALA 81 HA ALA 81 5.463 -3.371 7.416 378 HB1 ALA 81 HB1 ALA 81 7.410 -3.289 8.737 379 HB2 ALA 81 HB2 ALA 81 6.705 -4.318 10.007 380 HB3 ALA 81 HB3 ALA 81 7.182 -5.031 8.448 381 H PHE 82 HN PHE 82 5.600 -5.629 6.487 382 HA PHE 82 HA PHE 82 3.803 -7.512 7.775 383 HB2 PHE 82 HB2 PHE 82 3.547 -6.447 4.898 384 HB3 PHE 82 HB3 PHE 82 2.534 -7.698 5.591 385 HD1 PHE 82 HD1 PHE 82 3.368 -4.106 5.759 386 HD2 PHE 82 HD2 PHE 82 0.659 -7.149 6.946 387 HE1 PHE 82 HE1 PHE 82 1.752 -2.357 6.553 388 HE2 PHE 82 HE2 PHE 82 -0.957 -5.400 7.740 389 HZ PHE 82 HZ PHE 82 -0.391 -3.025 7.534 390 H GLY 83 HN GLY 83 5.115 -9.279 7.926 391 HA2 GLY 83 HA1 GLY 83 6.985 -9.825 5.731 392 HA3 GLY 83 HA2 GLY 83 7.019 -10.507 7.345 393 H GLU 84 HN GLU 84 7.291 -12.548 5.928 394 HA GLU 84 HA GLU 84 4.933 -13.418 4.601 395 HB2 GLU 84 HB2 GLU 84 7.326 -14.018 3.951 396 HB3 GLU 84 HB3 GLU 84 7.388 -15.058 5.360 397 HG2 GLU 84 HG2 GLU 84 4.960 -15.740 4.054 398 HG3 GLU 84 HG3 GLU 84 6.127 -15.541 2.761 399 HE2 GLU 84 HE2 GLU 84 7.071 -18.799 3.480 400 H ALA 85 HN ALA 85 5.470 -12.946 7.783 401 HA ALA 85 HA ALA 85 4.858 -15.436 8.945 402 HB1 ALA 85 HB1 ALA 85 5.360 -12.701 9.742 403 HB2 ALA 85 HB2 ALA 85 3.937 -13.326 10.609 404 HB3 ALA 85 HB3 ALA 85 5.489 -14.193 10.706 405 H MET 86 HN MET 86 2.880 -12.642 7.810 406 HA MET 86 HA MET 86 0.541 -14.325 8.277 407 HB2 MET 86 HB2 MET 86 0.815 -12.042 9.519 408 HB3 MET 86 HB3 MET 86 0.587 -11.280 7.957 409 HG2 MET 86 HG2 MET 86 -1.646 -12.206 7.725 410 HG3 MET 86 HG3 MET 86 -1.412 -13.291 9.082 411 HE1 MET 86 HE1 MET 86 -0.521 -12.517 11.201 412 HE2 MET 86 HE2 MET 86 -0.069 -10.815 11.458 413 HE3 MET 86 HE3 MET 86 -1.583 -11.448 12.148 414 H ILE 87 HN ILE 87 1.850 -11.701 6.124 415 HA ILE 87 HA ILE 87 0.358 -12.973 3.935 416 HB ILE 87 HB ILE 87 1.064 -10.054 4.256 417 HG12 ILE 87 HG1 ILE 87 -1.373 -11.633 4.979 418 HG13 ILE 87 HG1 ILE 87 -0.607 -10.303 5.825 419 HG22 ILE 87 HG2 ILE 87 -0.730 -11.371 2.204 420 HG22 ILE 87 HG2 ILE 87 -0.228 -9.665 2.283 421 HG22 ILE 87 HG2 ILE 87 0.969 -10.929 1.913 422 HD11 ILE 87 HD1 ILE 87 -2.725 -9.548 4.829 423 HD11 ILE 87 HD1 ILE 87 -1.363 -8.732 4.023 424 HD11 ILE 87 HD1 ILE 87 -2.188 -10.091 3.221 425 HA PRO 88 HA PRO 88 4.490 -13.788 2.540 426 HB2 PRO 88 HB2 PRO 88 3.764 -15.376 0.441 427 HB3 PRO 88 HB3 PRO 88 3.601 -15.916 2.144 428 HG2 PRO 88 HG2 PRO 88 1.737 -14.743 0.403 429 HG3 PRO 88 HG3 PRO 88 1.275 -16.200 1.342 430 HD2 PRO 88 HD2 PRO 88 0.428 -13.794 2.162 431 HD3 PRO 88 HD3 PRO 88 1.137 -14.902 3.376 432 HA PRO 89 HA PRO 89 5.172 -10.608 -0.411 433 HB2 PRO 89 HB2 PRO 89 7.088 -11.960 -1.995 434 HB3 PRO 89 HB3 PRO 89 7.412 -11.065 -0.474 435 HG2 PRO 89 HG2 PRO 89 6.951 -13.930 -0.897 436 HG3 PRO 89 HG3 PRO 89 8.231 -13.319 0.200 437 HD2 PRO 89 HD2 PRO 89 5.982 -14.171 1.303 438 HD3 PRO 89 HD3 PRO 89 6.537 -12.537 1.778 439 H ALA 90 HN ALA 90 4.739 -14.013 -1.633 440 HA ALA 90 HA ALA 90 4.061 -13.243 -4.240 441 HB1 ALA 90 HB1 ALA 90 4.771 -15.526 -3.435 442 HB2 ALA 90 HB2 ALA 90 3.159 -15.708 -2.702 443 HB3 ALA 90 HB3 ALA 90 3.320 -15.534 -4.466 444 H ASP 91 HN ASP 91 2.294 -13.288 -1.172 445 HA ASP 91 HA ASP 91 -0.231 -13.095 -2.495 446 HB2 ASP 91 HB2 ASP 91 0.727 -13.025 0.381 447 HB3 ASP 91 HB3 ASP 91 -0.907 -12.515 0.006 448 HD2 ASP 91 HD2 ASP 91 0.539 -16.118 -0.560 449 H ALA 92 HN ALA 92 2.391 -11.028 -1.652 450 HA ALA 92 HA ALA 92 0.800 -8.696 -1.076 451 HB1 ALA 92 HB1 ALA 92 2.841 -8.758 0.087 452 HB2 ALA 92 HB2 ALA 92 3.743 -9.340 -1.333 453 HB3 ALA 92 HB3 ALA 92 3.183 -7.652 -1.265 454 H LEU 93 HN LEU 93 2.658 -10.127 -3.804 455 HA LEU 93 HA LEU 93 2.552 -7.920 -5.489 456 HB2 LEU 93 HB2 LEU 93 2.707 -10.884 -6.023 457 HB3 LEU 93 HB3 LEU 93 2.809 -9.678 -7.291 458 HG LEU 93 HG LEU 93 4.688 -9.697 -4.922 459 HD11 LEU 93 HD1 LEU 93 5.190 -10.983 -7.618 460 HD11 LEU 93 HD1 LEU 93 6.298 -10.920 -6.226 461 HD11 LEU 93 HD1 LEU 93 4.795 -11.868 -6.125 462 HD22 LEU 93 HD2 LEU 93 5.610 -7.890 -5.826 463 HD22 LEU 93 HD2 LEU 93 5.726 -8.669 -7.422 464 HD22 LEU 93 HD2 LEU 93 4.231 -7.825 -6.950 465 H LYS 94 HN LYS 94 0.039 -9.972 -4.285 466 HA LYS 94 HA LYS 94 -1.692 -9.503 -6.551 467 HB2 LYS 94 HB2 LYS 94 -1.837 -11.660 -5.524 468 HB3 LYS 94 HB3 LYS 94 -2.027 -10.969 -3.925 469 HG2 LYS 94 HG2 LYS 94 -4.065 -9.850 -5.658 470 HG3 LYS 94 HG3 LYS 94 -4.078 -11.593 -5.838 471 HD2 LYS 94 HD2 LYS 94 -3.793 -10.798 -3.017 472 HD3 LYS 94 HD3 LYS 94 -5.238 -10.117 -3.735 473 HE2 LYS 94 HE2 LYS 94 -4.716 -12.993 -4.380 474 HE3 LYS 94 HE3 LYS 94 -5.102 -12.655 -2.704 475 HZ1 LYS 94 HZ1 LYS 94 -6.971 -12.970 -4.570 476 HZ2 LYS 94 HZ2 LYS 94 -7.218 -12.041 -3.255 477 H ILE 95 HN ILE 95 -0.852 -8.062 -3.458 478 HA ILE 95 HA ILE 95 -3.295 -6.626 -3.167 479 HB ILE 95 HB ILE 95 -0.601 -6.118 -1.904 480 HG12 ILE 95 HG1 ILE 95 -1.549 -8.495 -1.694 481 HG13 ILE 95 HG1 ILE 95 -1.081 -7.659 -0.226 482 HG22 ILE 95 HG2 ILE 95 -2.241 -4.273 -1.721 483 HG22 ILE 95 HG2 ILE 95 -3.386 -5.397 -0.951 484 HG22 ILE 95 HG2 ILE 95 -1.843 -5.012 -0.152 485 HD11 ILE 95 HD1 ILE 95 -3.293 -7.320 0.465 486 HD11 ILE 95 HD1 ILE 95 -3.929 -7.381 -1.196 487 HD11 ILE 95 HD1 ILE 95 -3.433 -8.882 -0.377 488 H GLY 96 HN GLY 96 -0.080 -6.039 -4.645 489 HA2 GLY 96 HA1 GLY 96 -0.190 -3.324 -5.066 490 HA3 GLY 96 HA2 GLY 96 0.590 -4.483 -6.124 491 H GLU 97 HN GLU 97 -2.144 -5.894 -6.514 492 HA GLU 97 HA GLU 97 -2.798 -4.495 -8.850 493 HB2 GLU 97 HB2 GLU 97 -4.550 -6.587 -7.513 494 HB3 GLU 97 HB3 GLU 97 -4.406 -6.237 -9.224 495 HG2 GLU 97 HG2 GLU 97 -1.884 -6.900 -8.942 496 HG3 GLU 97 HG3 GLU 97 -2.380 -7.604 -7.416 497 HE2 GLU 97 HE2 GLU 97 -3.438 -10.444 -9.028 498 H TYR 98 HN TYR 98 -4.470 -5.003 -5.726 499 HA TYR 98 HA TYR 98 -6.822 -3.602 -6.170 500 HB2 TYR 98 HB2 TYR 98 -6.208 -4.900 -4.134 501 HB3 TYR 98 HB3 TYR 98 -5.132 -3.580 -3.648 502 HD1 TYR 98 HD1 TYR 98 -8.711 -4.186 -4.620 503 HD2 TYR 98 HD2 TYR 98 -5.944 -1.938 -2.223 504 HE1 TYR 98 HE1 TYR 98 -10.607 -3.056 -3.490 505 HE2 TYR 98 HE2 TYR 98 -7.841 -0.809 -1.093 506 HH TYR 98 HH TYR 98 -10.390 -0.287 -1.723 507 H VAL 99 HN VAL 99 -3.509 -2.322 -5.772 508 HA VAL 99 HA VAL 99 -4.606 0.371 -5.554 509 HB VAL 99 HB VAL 99 -1.819 -0.772 -5.304 510 HG11 VAL 99 HG1 VAL 99 -2.753 2.019 -5.654 511 HG11 VAL 99 HG1 VAL 99 -1.605 1.752 -4.320 512 HG11 VAL 99 HG1 VAL 99 -1.164 1.286 -5.981 513 HG22 VAL 99 HG2 VAL 99 -2.163 -0.872 -3.089 514 HG22 VAL 99 HG2 VAL 99 -2.955 0.721 -3.050 515 HG22 VAL 99 HG2 VAL 99 -3.895 -0.730 -3.476 516 H VAL 100 HN VAL 100 -4.993 -1.262 -7.992 517 HA VAL 100 HA VAL 100 -3.835 0.650 -9.835 518 HB VAL 100 HB VAL 100 -3.357 -2.330 -10.009 519 HG11 VAL 100 HG1 VAL 100 -3.259 -0.170 -12.075 520 HG11 VAL 100 HG1 VAL 100 -1.989 -1.417 -12.106 521 HG11 VAL 100 HG1 VAL 100 -3.701 -1.887 -12.231 522 HG22 VAL 100 HG2 VAL 100 -1.807 -1.109 -8.526 523 HG22 VAL 100 HG2 VAL 100 -0.988 -1.735 -9.977 524 HG22 VAL 100 HG2 VAL 100 -1.403 -0.008 -9.865 525 H ALA 101 HN ALA 101 -6.497 -0.271 -8.569 526 HA ALA 101 HA ALA 101 -7.856 -0.842 -11.115 527 HB1 ALA 101 HB1 ALA 101 -9.491 -2.082 -9.888 528 HB2 ALA 101 HB2 ALA 101 -7.907 -2.632 -9.289 529 HB3 ALA 101 HB3 ALA 101 -8.875 -1.489 -8.327 530 H SER 102 HN SER 102 -7.117 1.508 -8.802 531 HA SER 102 HA SER 102 -9.525 2.960 -9.558 532 HB2 SER 102 HB2 SER 102 -9.599 3.997 -7.324 533 HB3 SER 102 HB3 SER 102 -9.733 2.254 -7.197 534 HG SER 102 HG SER 102 -8.131 2.479 -5.781 535 H PHE 103 HN PHE 103 -6.100 3.041 -8.415 536 HA PHE 103 HA PHE 103 -5.671 5.341 -10.128 537 HB2 PHE 103 HB2 PHE 103 -4.242 6.081 -7.897 538 HB3 PHE 103 HB3 PHE 103 -5.879 6.637 -8.184 539 HD1 PHE 103 HD1 PHE 103 -4.506 3.382 -6.959 540 HD2 PHE 103 HD2 PHE 103 -7.022 6.712 -6.187 541 HE1 PHE 103 HE1 PHE 103 -5.244 2.325 -4.806 542 HE2 PHE 103 HE2 PHE 103 -7.760 5.655 -4.033 543 HZ PHE 103 HZ PHE 103 -6.862 3.474 -3.368 544 HA PRO 104 HA PRO 104 -2.518 1.990 -10.520 545 HB2 PRO 104 HB2 PRO 104 -2.403 3.378 -13.197 546 HB3 PRO 104 HB3 PRO 104 -2.493 1.634 -12.786 547 HG2 PRO 104 HG2 PRO 104 -4.793 2.826 -13.690 548 HG3 PRO 104 HG3 PRO 104 -4.671 1.584 -12.402 549 HD2 PRO 104 HD2 PRO 104 -4.878 4.635 -12.176 550 HD3 PRO 104 HD3 PRO 104 -5.810 3.384 -11.298 Start of MODEL 16 1 H ALA 25 HN ALA 25 -13.176 -6.851 -3.219 2 HA ALA 25 HA ALA 25 -12.872 -8.711 -5.298 3 HB1 ALA 25 HB1 ALA 25 -12.904 -6.645 -6.226 4 HB2 ALA 25 HB2 ALA 25 -12.297 -5.869 -4.743 5 HB3 ALA 25 HB3 ALA 25 -11.158 -6.625 -5.883 6 H GLY 26 HN GLY 26 -11.827 -10.226 -3.404 7 HA2 GLY 26 HA1 GLY 26 -10.010 -11.353 -2.707 8 HA3 GLY 26 HA2 GLY 26 -9.305 -10.925 -4.253 9 H GLY 27 HN GLY 27 -7.885 -9.092 -4.437 10 HA2 GLY 27 HA1 GLY 27 -6.136 -8.641 -2.387 11 HA3 GLY 27 HA2 GLY 27 -6.414 -7.543 -3.725 12 H GLY 28 HN GLY 28 -9.324 -7.141 -2.968 13 HA2 GLY 28 HA1 GLY 28 -8.958 -4.884 -1.293 14 HA3 GLY 28 HA2 GLY 28 -10.476 -5.558 -1.854 15 H GLU 29 HN GLU 29 -10.291 -8.215 -0.788 16 HA GLU 29 HA GLU 29 -11.274 -7.780 1.737 17 HB2 GLU 29 HB2 GLU 29 -11.688 -9.796 0.291 18 HB3 GLU 29 HB3 GLU 29 -10.064 -10.355 0.636 19 HG2 GLU 29 HG2 GLU 29 -11.309 -11.510 2.256 20 HG3 GLU 29 HG3 GLU 29 -10.764 -10.115 3.165 21 HE2 GLU 29 HE2 GLU 29 -14.393 -10.992 3.119 22 H LEU 30 HN LEU 30 -7.969 -8.087 0.584 23 HA LEU 30 HA LEU 30 -6.954 -8.674 3.233 24 HB2 LEU 30 HB2 LEU 30 -5.396 -8.082 0.721 25 HB3 LEU 30 HB3 LEU 30 -4.826 -8.862 2.183 26 HG LEU 30 HG LEU 30 -6.810 -9.996 0.193 27 HD11 LEU 30 HD1 LEU 30 -4.509 -9.990 -0.621 28 HD11 LEU 30 HD1 LEU 30 -3.968 -10.814 0.861 29 HD11 LEU 30 HD1 LEU 30 -5.060 -11.646 -0.272 30 HD22 LEU 30 HD2 LEU 30 -6.004 -12.048 1.888 31 HD22 LEU 30 HD2 LEU 30 -6.319 -10.677 2.979 32 HD22 LEU 30 HD2 LEU 30 -7.590 -11.239 1.866 33 H PHE 31 HN PHE 31 -6.979 -5.998 0.804 34 HA PHE 31 HA PHE 31 -5.479 -4.253 2.439 35 HB2 PHE 31 HB2 PHE 31 -5.686 -4.014 -0.022 36 HB3 PHE 31 HB3 PHE 31 -7.434 -3.956 0.087 37 HD1 PHE 31 HD1 PHE 31 -4.513 -2.028 -0.193 38 HD2 PHE 31 HD2 PHE 31 -8.395 -1.963 1.521 39 HE1 PHE 31 HE1 PHE 31 -4.423 0.478 -0.082 40 HE2 PHE 31 HE2 PHE 31 -8.304 0.543 1.632 41 HZ PHE 31 HZ PHE 31 -6.319 1.733 0.830 42 H ALA 32 HN ALA 32 -8.780 -5.338 2.511 43 HA ALA 32 HA ALA 32 -9.648 -2.937 3.925 44 HB1 ALA 32 HB1 ALA 32 -11.167 -3.682 2.227 45 HB2 ALA 32 HB2 ALA 32 -11.074 -5.369 2.789 46 HB3 ALA 32 HB3 ALA 32 -11.889 -4.142 3.788 47 H THR 33 HN THR 33 -7.611 -4.346 5.247 48 HA THR 33 HA THR 33 -8.813 -4.818 7.732 49 HB THR 33 HB THR 33 -8.355 -7.199 5.925 50 HG1 THR 33 HG1 THR 33 -10.074 -6.431 8.181 51 HG22 THR 33 HG2 THR 33 -6.863 -7.844 7.718 52 HG22 THR 33 HG2 THR 33 -7.910 -7.093 8.946 53 HG22 THR 33 HG2 THR 33 -8.434 -8.579 8.118 54 H HIS 34 HN HIS 34 -6.068 -5.363 5.499 55 HA HIS 34 HA HIS 34 -4.292 -5.043 7.796 56 HB2 HIS 34 HB2 HIS 34 -3.629 -5.988 4.995 57 HB3 HIS 34 HB3 HIS 34 -2.551 -5.977 6.377 58 HD1 HIS 34 HD1 HIS 34 -3.125 -7.705 8.352 59 HD2 HIS 34 HD2 HIS 34 -5.290 -8.210 4.795 60 HE1 HIS 34 HE1 HIS 34 -4.163 -10.033 8.471 61 H CYS 35 HN CYS 35 -5.938 -3.114 5.747 62 HA CYS 35 HA CYS 35 -3.815 -1.137 5.805 63 HB2 CYS 35 HB2 CYS 35 -5.421 -1.437 3.284 64 HB3 CYS 35 HB3 CYS 35 -3.950 -0.524 3.554 65 H ALA 36 HN ALA 36 -7.244 -1.997 4.987 66 HA ALA 36 HA ALA 36 -8.468 0.375 4.956 67 HB1 ALA 36 HB1 ALA 36 -10.158 -1.139 6.565 68 HB2 ALA 36 HB2 ALA 36 -10.076 -1.202 4.788 69 HB3 ALA 36 HB3 ALA 36 -9.149 -2.367 5.764 70 H GLY 37 HN GLY 37 -7.035 -1.241 7.808 71 HA2 GLY 37 HA1 GLY 37 -8.120 0.683 9.667 72 HA3 GLY 37 HA2 GLY 37 -6.985 -0.612 9.997 73 H CYS 38 HN CYS 38 -6.839 2.136 7.625 74 HA CYS 38 HA CYS 38 -5.226 3.817 8.997 75 HB2 CYS 38 HB2 CYS 38 -3.727 1.436 8.254 76 HB3 CYS 38 HB3 CYS 38 -3.049 2.864 7.497 77 H HIS 39 HN HIS 39 -5.997 2.080 5.981 78 HA HIS 39 HA HIS 39 -5.681 4.618 4.548 79 HB2 HIS 39 HB2 HIS 39 -5.230 1.770 3.654 80 HB3 HIS 39 HB3 HIS 39 -5.522 3.057 2.501 81 HD1 HIS 39 HD1 HIS 39 -3.781 5.269 2.977 82 HD2 HIS 39 HD2 HIS 39 -2.574 1.424 4.142 83 HE1 HIS 39 HE1 HIS 39 -1.242 5.357 3.209 84 HA PRO 40 HA PRO 40 -10.156 3.322 4.785 85 HB2 PRO 40 HB2 PRO 40 -11.120 5.499 6.077 86 HB3 PRO 40 HB3 PRO 40 -10.268 4.196 6.967 87 HG2 PRO 40 HG2 PRO 40 -8.774 6.927 6.056 88 HG3 PRO 40 HG3 PRO 40 -9.110 6.014 7.563 89 HD2 PRO 40 HD2 PRO 40 -6.907 5.592 5.859 90 HD3 PRO 40 HD3 PRO 40 -7.575 4.357 6.969 91 H GLN 41 HN GLN 41 -10.910 3.594 2.677 92 HA GLN 41 HA GLN 41 -11.449 4.549 0.802 93 HB2 GLN 41 HB2 GLN 41 -12.752 5.968 2.661 94 HB3 GLN 41 HB3 GLN 41 -11.733 7.267 2.075 95 HG2 GLN 41 HG2 GLN 41 -13.132 5.572 0.015 96 HG3 GLN 41 HG3 GLN 41 -14.116 6.688 0.942 97 HE21 GLN 41 HE2 GLN 41 -13.772 6.908 -1.784 98 HE21 GLN 41 HE2 GLN 41 -12.887 8.346 -2.169 99 H GLY 42 HN GLY 42 -8.880 4.193 0.650 100 HA2 GLY 42 HA1 GLY 42 -6.858 4.947 -0.025 101 HA3 GLY 42 HA2 GLY 42 -7.811 5.937 -1.112 102 H GLY 43 HN GLY 43 -7.998 6.305 2.435 103 HA2 GLY 43 HA1 GLY 43 -6.823 8.992 2.135 104 HA3 GLY 43 HA2 GLY 43 -7.956 8.482 3.371 105 H ASN 44 HN ASN 44 -6.559 9.175 5.095 106 HA ASN 44 HA ASN 44 -4.627 7.173 5.747 107 HB2 ASN 44 HB2 ASN 44 -3.841 10.120 5.445 108 HB3 ASN 44 HB3 ASN 44 -2.845 8.929 6.259 109 HD21 ASN 44 HD2 ASN 44 -1.339 8.012 5.106 110 HD21 ASN 44 HD2 ASN 44 -1.312 7.794 3.388 111 H THR 45 HN THR 45 -4.309 7.108 8.076 112 HA THR 45 HA THR 45 -6.022 8.994 9.555 113 HB THR 45 HB THR 45 -6.016 7.005 11.233 114 HG1 THR 45 HG1 THR 45 -4.470 5.584 10.479 115 HG22 THR 45 HG2 THR 45 -7.210 5.601 9.047 116 HG22 THR 45 HG2 THR 45 -8.044 6.596 10.264 117 HG22 THR 45 HG2 THR 45 -7.494 7.331 8.739 118 H VAL 46 HN VAL 46 -2.813 8.275 8.795 119 HA VAL 46 HA VAL 46 -1.925 9.301 11.400 120 HB VAL 46 HB VAL 46 -0.478 7.661 9.311 121 HG11 VAL 46 HG1 VAL 46 1.219 8.981 10.212 122 HG11 VAL 46 HG1 VAL 46 0.473 9.022 11.827 123 HG11 VAL 46 HG1 VAL 46 1.257 7.533 11.246 124 HG22 VAL 46 HG2 VAL 46 -1.540 5.972 10.350 125 HG22 VAL 46 HG2 VAL 46 -0.394 6.265 11.680 126 HG22 VAL 46 HG2 VAL 46 -2.018 6.992 11.729 127 H HIS 47 HN HIS 47 -1.150 9.384 7.847 128 HA HIS 47 HA HIS 47 -0.374 12.178 8.275 129 HB2 HIS 47 HB2 HIS 47 0.744 10.099 6.382 130 HB3 HIS 47 HB3 HIS 47 1.060 11.813 6.205 131 HD1 HIS 47 HD1 HIS 47 3.580 10.508 6.588 132 HD2 HIS 47 HD2 HIS 47 1.131 11.276 9.906 133 HE1 HIS 47 HE1 HIS 47 5.104 10.436 8.634 134 HA PRO 48 HA PRO 48 -3.881 12.711 5.562 135 HB2 PRO 48 HB2 PRO 48 -4.555 15.185 6.331 136 HB3 PRO 48 HB3 PRO 48 -4.681 13.831 7.501 137 HG2 PRO 48 HG2 PRO 48 -2.546 15.631 7.046 138 HG3 PRO 48 HG3 PRO 48 -3.032 15.440 8.762 139 HD2 PRO 48 HD2 PRO 48 -0.862 14.149 7.872 140 HD3 PRO 48 HD3 PRO 48 -2.053 13.231 8.842 141 H GLU 49 HN GLU 49 -0.764 13.346 5.072 142 HA GLU 49 HA GLU 49 -1.378 15.251 2.951 143 HB2 GLU 49 HB2 GLU 49 1.301 15.117 4.389 144 HB3 GLU 49 HB3 GLU 49 0.759 16.340 3.258 145 HG2 GLU 49 HG2 GLU 49 -1.078 16.013 5.556 146 HG3 GLU 49 HG3 GLU 49 0.540 16.479 6.043 147 HE2 GLU 49 HE2 GLU 49 1.309 18.523 5.111 148 H LYS 50 HN LYS 50 -0.770 12.107 3.604 149 HA LYS 50 HA LYS 50 0.741 11.781 1.114 150 HB2 LYS 50 HB2 LYS 50 1.169 10.041 3.552 151 HB3 LYS 50 HB3 LYS 50 2.078 10.039 2.054 152 HG2 LYS 50 HG2 LYS 50 1.905 12.592 3.676 153 HG3 LYS 50 HG3 LYS 50 3.009 11.329 4.183 154 HD2 LYS 50 HD2 LYS 50 4.432 11.664 2.404 155 HD3 LYS 50 HD3 LYS 50 3.124 11.949 1.273 156 HE2 LYS 50 HE2 LYS 50 3.279 14.096 3.275 157 HE3 LYS 50 HE3 LYS 50 4.806 13.902 2.438 158 HZ1 LYS 50 HZ1 LYS 50 3.590 14.067 0.319 159 HZ2 LYS 50 HZ2 LYS 50 2.176 14.262 1.102 160 H THR 51 HN THR 51 -1.445 11.618 0.185 161 HA THR 51 HA THR 51 -3.009 9.329 1.051 162 HB THR 51 HB THR 51 -4.683 10.281 -0.452 163 HG1 THR 51 HG1 THR 51 -3.822 12.158 -1.794 164 HG22 THR 51 HG2 THR 51 -4.449 11.681 1.568 165 HG22 THR 51 HG2 THR 51 -3.043 12.512 0.860 166 HG22 THR 51 HG2 THR 51 -4.661 12.743 0.156 167 H LEU 52 HN LEU 52 -4.075 8.248 -1.166 168 HA LEU 52 HA LEU 52 -1.744 6.916 -2.291 169 HB2 LEU 52 HB2 LEU 52 -4.682 6.214 -2.292 170 HB3 LEU 52 HB3 LEU 52 -3.431 5.263 -3.066 171 HG LEU 52 HG LEU 52 -3.693 5.819 -0.099 172 HD11 LEU 52 HD1 LEU 52 -5.297 4.180 -1.200 173 HD11 LEU 52 HD1 LEU 52 -3.876 3.151 -1.502 174 HD11 LEU 52 HD1 LEU 52 -4.334 3.568 0.167 175 HD22 LEU 52 HD2 LEU 52 -1.812 4.150 0.102 176 HD22 LEU 52 HD2 LEU 52 -1.544 4.357 -1.646 177 HD22 LEU 52 HD2 LEU 52 -1.363 5.746 -0.547 178 H ALA 53 HN ALA 53 -2.812 9.727 -3.000 179 HA ALA 53 HA ALA 53 -3.869 9.452 -5.630 180 HB1 ALA 53 HB1 ALA 53 -4.420 11.569 -5.125 181 HB2 ALA 53 HB2 ALA 53 -3.389 11.519 -3.675 182 HB3 ALA 53 HB3 ALA 53 -2.703 12.021 -5.238 183 H ARG 54 HN ARG 54 -2.805 9.263 -7.560 184 HA ARG 54 HA ARG 54 -0.264 8.391 -7.663 185 HB2 ARG 54 HB2 ARG 54 -1.906 8.264 -9.540 186 HB3 ARG 54 HB3 ARG 54 -1.761 9.991 -9.800 187 HG2 ARG 54 HG2 ARG 54 0.872 9.330 -9.954 188 HG3 ARG 54 HG3 ARG 54 0.185 7.798 -10.458 189 HD2 ARG 54 HD2 ARG 54 -0.382 8.629 -12.501 190 HD3 ARG 54 HD3 ARG 54 -1.199 10.006 -11.789 191 HE ARG 54 HE ARG 54 0.765 11.298 -12.024 192 H ALA 55 HN ALA 55 -1.451 11.778 -8.252 193 HA ALA 55 HA ALA 55 0.821 13.036 -8.945 194 HB1 ALA 55 HB1 ALA 55 -1.310 13.961 -6.976 195 HB2 ALA 55 HB2 ALA 55 -0.150 15.028 -7.803 196 HB3 ALA 55 HB3 ALA 55 -1.359 14.126 -8.748 197 H ARG 56 HN ARG 56 -0.058 11.765 -5.717 198 HA ARG 56 HA ARG 56 2.310 12.945 -4.606 199 HB2 ARG 56 HB2 ARG 56 -0.046 11.383 -3.503 200 HB3 ARG 56 HB3 ARG 56 1.408 11.526 -2.535 201 HG2 ARG 56 HG2 ARG 56 0.134 13.992 -3.772 202 HG3 ARG 56 HG3 ARG 56 -0.477 13.337 -2.266 203 HD2 ARG 56 HD2 ARG 56 1.724 13.590 -1.193 204 HD3 ARG 56 HD3 ARG 56 2.456 14.068 -2.712 205 HE ARG 56 HE ARG 56 1.665 16.231 -2.354 206 H ARG 57 HN ARG 57 0.879 9.683 -5.275 207 HA ARG 57 HA ARG 57 2.940 8.210 -4.222 208 HB2 ARG 57 HB2 ARG 57 0.636 7.769 -6.009 209 HB3 ARG 57 HB3 ARG 57 1.979 6.724 -6.427 210 HG2 ARG 57 HG2 ARG 57 1.904 6.611 -3.614 211 HG3 ARG 57 HG3 ARG 57 0.212 6.642 -4.070 212 HD2 ARG 57 HD2 ARG 57 2.298 4.701 -5.182 213 HD3 ARG 57 HD3 ARG 57 1.104 4.308 -3.961 214 HE ARG 57 HE ARG 57 0.617 4.666 -6.842 215 H GLU 58 HN GLU 58 2.880 10.284 -6.975 216 HA GLU 58 HA GLU 58 4.839 8.807 -8.447 217 HB2 GLU 58 HB2 GLU 58 4.363 10.238 -10.180 218 HB3 GLU 58 HB3 GLU 58 2.911 10.521 -9.241 219 HG2 GLU 58 HG2 GLU 58 3.949 12.503 -8.172 220 HG3 GLU 58 HG3 GLU 58 5.456 12.197 -9.012 221 HE2 GLU 58 HE2 GLU 58 4.529 12.269 -11.933 222 H ALA 59 HN ALA 59 4.656 11.880 -6.536 223 HA ALA 59 HA ALA 59 7.186 12.812 -6.894 224 HB1 ALA 59 HB1 ALA 59 5.026 13.459 -5.347 225 HB2 ALA 59 HB2 ALA 59 6.172 12.901 -4.105 226 HB3 ALA 59 HB3 ALA 59 6.624 14.228 -5.202 227 H ASN 60 HN ASN 60 6.055 10.241 -4.617 228 HA ASN 60 HA ASN 60 8.670 9.884 -3.592 229 HB2 ASN 60 HB2 ASN 60 6.023 8.402 -3.339 230 HB3 ASN 60 HB3 ASN 60 7.486 7.681 -2.696 231 HD21 ASN 60 HD2 ASN 60 6.325 11.042 -2.886 232 HD21 ASN 60 HD2 ASN 60 6.400 11.398 -1.192 233 H GLY 61 HN GLY 61 6.711 8.688 -6.277 234 HA2 GLY 61 HA1 GLY 61 7.435 7.510 -8.098 235 HA3 GLY 61 HA2 GLY 61 8.939 7.133 -7.281 236 H ILE 62 HN ILE 62 5.378 6.443 -7.029 237 HA ILE 62 HA ILE 62 6.092 3.643 -6.583 238 HB ILE 62 HB ILE 62 4.171 5.257 -4.904 239 HG12 ILE 62 HG1 ILE 62 6.889 4.061 -4.386 240 HG13 ILE 62 HG1 ILE 62 6.339 5.702 -4.111 241 HG22 ILE 62 HG2 ILE 62 4.766 2.439 -4.214 242 HG22 ILE 62 HG2 ILE 62 3.259 3.374 -4.060 243 HG22 ILE 62 HG2 ILE 62 3.730 2.699 -5.638 244 HD11 ILE 62 HD1 ILE 62 4.619 4.612 -2.447 245 HD11 ILE 62 HD1 ILE 62 5.709 3.206 -2.513 246 HD11 ILE 62 HD1 ILE 62 6.317 4.778 -1.941 247 H ARG 63 HN ARG 63 5.598 4.044 -9.039 248 HA ARG 63 HA ARG 63 2.713 3.799 -9.348 249 HB2 ARG 63 HB2 ARG 63 4.581 4.518 -11.633 250 HB3 ARG 63 HB3 ARG 63 2.868 4.856 -11.481 251 HG2 ARG 63 HG2 ARG 63 3.400 6.911 -10.686 252 HG3 ARG 63 HG3 ARG 63 4.039 6.141 -9.248 253 HD2 ARG 63 HD2 ARG 63 5.765 6.297 -11.736 254 HD3 ARG 63 HD3 ARG 63 5.598 7.713 -10.718 255 HE ARG 63 HE ARG 63 6.211 5.821 -8.857 256 H THR 64 HN THR 64 3.757 1.474 -8.583 257 HA THR 64 HA THR 64 3.629 -0.149 -10.953 258 HB THR 64 HB THR 64 5.863 -1.245 -10.449 259 HG1 THR 64 HG1 THR 64 5.893 1.124 -8.713 260 HG22 THR 64 HG2 THR 64 7.270 0.467 -11.417 261 HG22 THR 64 HG2 THR 64 5.656 0.730 -12.120 262 HG22 THR 64 HG2 THR 64 6.229 1.769 -10.793 263 H VAL 65 HN VAL 65 3.192 -2.368 -10.501 264 HA VAL 65 HA VAL 65 1.656 -2.700 -8.176 265 HB VAL 65 HB VAL 65 2.669 -4.508 -10.354 266 HG11 VAL 65 HG1 VAL 65 1.369 -6.352 -9.450 267 HG11 VAL 65 HG1 VAL 65 2.579 -5.829 -8.253 268 HG11 VAL 65 HG1 VAL 65 0.873 -5.360 -8.057 269 HG22 VAL 65 HG2 VAL 65 0.833 -2.857 -10.793 270 HG22 VAL 65 HG2 VAL 65 0.370 -4.555 -11.059 271 HG22 VAL 65 HG2 VAL 65 -0.155 -3.710 -9.583 272 H ARG 66 HN ARG 66 4.807 -4.212 -9.186 273 HA ARG 66 HA ARG 66 5.311 -5.648 -7.011 274 HB2 ARG 66 HB2 ARG 66 7.206 -3.935 -8.679 275 HB3 ARG 66 HB3 ARG 66 7.806 -5.020 -7.440 276 HG2 ARG 66 HG2 ARG 66 6.813 -6.960 -8.557 277 HG3 ARG 66 HG3 ARG 66 5.973 -5.934 -9.703 278 HD2 ARG 66 HD2 ARG 66 7.798 -5.828 -11.059 279 HD3 ARG 66 HD3 ARG 66 8.825 -5.310 -9.737 280 HE ARG 66 HE ARG 66 8.434 -8.080 -10.679 281 H ASP 67 HN ASP 67 6.452 -2.209 -7.445 282 HA ASP 67 HA ASP 67 7.609 -1.691 -5.171 283 HB2 ASP 67 HB2 ASP 67 5.569 -0.089 -6.729 284 HB3 ASP 67 HB3 ASP 67 6.187 0.578 -5.231 285 HD2 ASP 67 HD2 ASP 67 9.074 -0.017 -7.935 286 H VAL 68 HN VAL 68 4.031 -1.944 -5.669 287 HA VAL 68 HA VAL 68 3.515 -1.441 -2.873 288 HB VAL 68 HB VAL 68 1.649 -2.268 -5.104 289 HG11 VAL 68 HG1 VAL 68 0.817 -2.593 -2.769 290 HG11 VAL 68 HG1 VAL 68 1.045 -0.851 -2.488 291 HG11 VAL 68 HG1 VAL 68 -0.124 -1.410 -3.708 292 HG22 VAL 68 HG2 VAL 68 2.224 -0.271 -5.992 293 HG22 VAL 68 HG2 VAL 68 1.171 0.387 -4.717 294 HG22 VAL 68 HG2 VAL 68 2.932 0.321 -4.470 295 H ALA 69 HN ALA 69 5.249 -3.495 -2.860 296 HA ALA 69 HA ALA 69 3.696 -5.583 -1.729 297 HB1 ALA 69 HB1 ALA 69 3.466 -6.942 -3.500 298 HB2 ALA 69 HB2 ALA 69 4.294 -5.757 -4.539 299 HB3 ALA 69 HB3 ALA 69 5.237 -6.994 -3.674 300 H ALA 70 HN ALA 70 6.823 -4.439 -3.105 301 HA ALA 70 HA ALA 70 8.355 -6.091 -1.344 302 HB1 ALA 70 HB1 ALA 70 8.837 -4.039 -3.467 303 HB2 ALA 70 HB2 ALA 70 10.131 -4.295 -2.272 304 HB3 ALA 70 HB3 ALA 70 9.549 -5.657 -3.259 305 H TYR 71 HN TYR 71 8.044 -2.535 -1.717 306 HA TYR 71 HA TYR 71 9.274 -1.696 0.593 307 HB2 TYR 71 HB2 TYR 71 7.196 -0.682 -1.217 308 HB3 TYR 71 HB3 TYR 71 7.062 -0.032 0.426 309 HD1 TYR 71 HD1 TYR 71 8.057 2.030 0.693 310 HD2 TYR 71 HD2 TYR 71 9.882 -0.832 -1.940 311 HE1 TYR 71 HE1 TYR 71 9.880 3.640 0.205 312 HE2 TYR 71 HE2 TYR 71 11.704 0.778 -2.427 313 HH TYR 71 HH TYR 71 12.467 2.925 -2.144 314 H ILE 72 HN ILE 72 5.703 -2.473 0.319 315 HA ILE 72 HA ILE 72 4.951 -2.045 2.850 316 HB ILE 72 HB ILE 72 3.347 -3.911 2.549 317 HG12 ILE 72 HG1 ILE 72 4.390 -4.399 -0.210 318 HG13 ILE 72 HG1 ILE 72 5.205 -5.192 1.124 319 HG22 ILE 72 HG2 ILE 72 3.094 -2.704 -0.070 320 HG22 ILE 72 HG2 ILE 72 2.108 -2.475 1.394 321 HG22 ILE 72 HG2 ILE 72 3.576 -1.499 1.149 322 HD11 ILE 72 HD1 ILE 72 3.285 -6.514 0.091 323 HD11 ILE 72 HD1 ILE 72 3.168 -6.279 1.852 324 HD11 ILE 72 HD1 ILE 72 2.181 -5.286 0.754 325 H ARG 73 HN ARG 73 7.013 -4.716 1.665 326 HA ARG 73 HA ARG 73 6.894 -6.296 3.894 327 HB2 ARG 73 HB2 ARG 73 8.057 -6.687 1.587 328 HB3 ARG 73 HB3 ARG 73 9.440 -5.858 2.273 329 HG2 ARG 73 HG2 ARG 73 8.215 -8.089 3.887 330 HG3 ARG 73 HG3 ARG 73 9.138 -8.532 2.465 331 HD2 ARG 73 HD2 ARG 73 10.953 -6.860 3.452 332 HD3 ARG 73 HD3 ARG 73 10.085 -7.088 4.957 333 HE ARG 73 HE ARG 73 10.512 -9.672 3.878 334 H ASN 74 HN ASN 74 9.526 -3.924 3.017 335 HA ASN 74 HA ASN 74 9.871 -3.520 5.884 336 HB2 ASN 74 HB2 ASN 74 11.744 -4.812 4.523 337 HB3 ASN 74 HB3 ASN 74 12.147 -3.232 3.881 338 HD21 ASN 74 HD2 ASN 74 11.364 -4.795 6.986 339 HD21 ASN 74 HD2 ASN 74 12.569 -3.999 7.943 340 HA PRO 75 HA PRO 75 9.051 0.479 3.662 341 HB2 PRO 75 HB2 PRO 75 6.857 1.240 5.099 342 HB3 PRO 75 HB3 PRO 75 6.756 0.042 3.767 343 HG2 PRO 75 HG2 PRO 75 6.852 -0.360 6.648 344 HG3 PRO 75 HG3 PRO 75 5.831 -1.261 5.480 345 HD2 PRO 75 HD2 PRO 75 8.227 -2.216 6.576 346 HD3 PRO 75 HD3 PRO 75 7.585 -2.734 4.988 347 H GLY 76 HN GLY 76 8.794 2.782 4.822 348 HA2 GLY 76 HA1 GLY 76 10.833 2.837 6.878 349 HA3 GLY 76 HA2 GLY 76 10.089 4.199 6.063 350 HA PRO 77 HA PRO 77 8.530 3.939 10.465 351 HB2 PRO 77 HB2 PRO 77 8.853 6.669 10.876 352 HB3 PRO 77 HB3 PRO 77 10.135 5.447 11.161 353 HG2 PRO 77 HG2 PRO 77 9.616 7.100 8.881 354 HG3 PRO 77 HG3 PRO 77 11.269 6.936 9.557 355 HD2 PRO 77 HD2 PRO 77 10.669 5.531 7.387 356 HD3 PRO 77 HD3 PRO 77 11.402 4.640 8.755 357 H GLY 78 HN GLY 78 6.452 4.833 11.253 358 HA2 GLY 78 HA1 GLY 78 4.536 6.125 10.987 359 HA3 GLY 78 HA2 GLY 78 4.965 6.454 9.320 360 H MET 79 HN MET 79 5.625 3.635 8.636 361 HA MET 79 HA MET 79 2.912 2.561 8.759 362 HB2 MET 79 HB2 MET 79 3.986 3.487 6.490 363 HB3 MET 79 HB3 MET 79 4.873 1.975 6.502 364 HG2 MET 79 HG2 MET 79 2.877 0.659 6.351 365 HG3 MET 79 HG3 MET 79 1.852 1.988 6.855 366 HE1 MET 79 HE1 MET 79 4.127 0.682 3.712 367 HE2 MET 79 HE2 MET 79 2.684 -0.159 4.328 368 HE3 MET 79 HE3 MET 79 2.628 0.667 2.753 369 HA PRO 80 HA PRO 80 4.616 -0.891 10.889 370 HB2 PRO 80 HB2 PRO 80 2.360 -2.342 9.505 371 HB3 PRO 80 HB3 PRO 80 2.771 -2.208 11.246 372 HG2 PRO 80 HG2 PRO 80 0.675 -0.787 10.188 373 HG3 PRO 80 HG3 PRO 80 1.821 -0.346 11.496 374 HD2 PRO 80 HD2 PRO 80 1.759 0.502 8.560 375 HD3 PRO 80 HD3 PRO 80 2.078 1.498 10.012 376 H ALA 81 HN ALA 81 3.983 -3.587 9.557 377 HA ALA 81 HA ALA 81 5.354 -3.427 7.038 378 HB1 ALA 81 HB1 ALA 81 6.724 -4.248 9.576 379 HB2 ALA 81 HB2 ALA 81 7.065 -5.189 8.104 380 HB3 ALA 81 HB3 ALA 81 7.382 -3.438 8.134 381 H PHE 82 HN PHE 82 5.429 -5.599 5.982 382 HA PHE 82 HA PHE 82 3.692 -7.553 7.274 383 HB2 PHE 82 HB2 PHE 82 3.445 -6.452 4.410 384 HB3 PHE 82 HB3 PHE 82 2.430 -7.709 5.087 385 HD1 PHE 82 HD1 PHE 82 0.692 -7.167 6.711 386 HD2 PHE 82 HD2 PHE 82 3.123 -4.126 5.022 387 HE1 PHE 82 HE1 PHE 82 -0.926 -5.426 7.517 388 HE2 PHE 82 HE2 PHE 82 1.505 -2.385 5.828 389 HZ PHE 82 HZ PHE 82 -0.501 -3.055 7.065 390 H GLY 83 HN GLY 83 5.209 -9.177 7.484 391 HA2 GLY 83 HA1 GLY 83 6.981 -9.741 5.224 392 HA3 GLY 83 HA2 GLY 83 7.094 -10.381 6.852 393 H GLU 84 HN GLU 84 7.395 -12.438 5.448 394 HA GLU 84 HA GLU 84 5.029 -13.427 4.232 395 HB2 GLU 84 HB2 GLU 84 6.360 -15.424 3.766 396 HB3 GLU 84 HB3 GLU 84 7.317 -13.998 3.418 397 HG2 GLU 84 HG2 GLU 84 8.912 -14.753 4.837 398 HG3 GLU 84 HG3 GLU 84 7.787 -14.568 6.168 399 HE2 GLU 84 HE2 GLU 84 7.758 -17.236 7.123 400 H ALA 85 HN ALA 85 5.677 -12.872 7.390 401 HA ALA 85 HA ALA 85 5.168 -15.354 8.616 402 HB1 ALA 85 HB1 ALA 85 6.148 -13.795 10.028 403 HB2 ALA 85 HB2 ALA 85 5.156 -12.452 9.412 404 HB3 ALA 85 HB3 ALA 85 4.442 -13.651 10.517 405 H MET 86 HN MET 86 3.092 -12.653 7.454 406 HA MET 86 HA MET 86 0.809 -14.368 8.066 407 HB2 MET 86 HB2 MET 86 1.087 -12.041 9.239 408 HB3 MET 86 HB3 MET 86 0.755 -11.333 7.671 409 HG2 MET 86 HG2 MET 86 -1.455 -12.347 7.581 410 HG3 MET 86 HG3 MET 86 -1.117 -13.365 8.966 411 HE1 MET 86 HE1 MET 86 -0.149 -12.490 10.989 412 HE2 MET 86 HE2 MET 86 -0.369 -10.869 11.692 413 HE3 MET 86 HE3 MET 86 -1.682 -12.067 11.789 414 H ILE 87 HN ILE 87 1.967 -11.754 5.814 415 HA ILE 87 HA ILE 87 0.427 -13.108 3.708 416 HB ILE 87 HB ILE 87 1.081 -10.169 3.953 417 HG12 ILE 87 HG1 ILE 87 -1.334 -11.780 4.716 418 HG13 ILE 87 HG1 ILE 87 -0.537 -10.485 5.587 419 HG22 ILE 87 HG2 ILE 87 -0.945 -11.239 2.043 420 HG22 ILE 87 HG2 ILE 87 0.108 -9.809 1.926 421 HG22 ILE 87 HG2 ILE 87 0.777 -11.432 1.636 422 HD11 ILE 87 HD1 ILE 87 -2.323 -9.268 4.786 423 HD11 ILE 87 HD1 ILE 87 -1.268 -9.103 3.362 424 HD11 ILE 87 HD1 ILE 87 -2.552 -10.335 3.380 425 HA PRO 88 HA PRO 88 4.498 -13.890 2.147 426 HB2 PRO 88 HB2 PRO 88 3.717 -15.448 0.054 427 HB3 PRO 88 HB3 PRO 88 3.576 -16.008 1.752 428 HG2 PRO 88 HG2 PRO 88 1.809 -14.726 0.103 429 HG3 PRO 88 HG3 PRO 88 1.129 -16.186 0.893 430 HD2 PRO 88 HD2 PRO 88 0.421 -13.896 1.936 431 HD3 PRO 88 HD3 PRO 88 1.203 -15.033 3.076 432 HA PRO 89 HA PRO 89 5.099 -10.484 -0.579 433 HB2 PRO 89 HB2 PRO 89 6.915 -12.465 -1.993 434 HB3 PRO 89 HB3 PRO 89 7.215 -10.777 -1.464 435 HG2 PRO 89 HG2 PRO 89 8.147 -12.939 0.041 436 HG3 PRO 89 HG3 PRO 89 7.591 -11.296 0.498 437 HD2 PRO 89 HD2 PRO 89 6.232 -13.992 0.798 438 HD3 PRO 89 HD3 PRO 89 6.123 -12.544 1.845 439 H ALA 90 HN ALA 90 4.757 -13.827 -2.020 440 HA ALA 90 HA ALA 90 3.957 -12.950 -4.534 441 HB1 ALA 90 HB1 ALA 90 3.907 -15.446 -2.932 442 HB2 ALA 90 HB2 ALA 90 2.684 -15.354 -4.223 443 HB3 ALA 90 HB3 ALA 90 4.411 -15.177 -4.618 444 H ASP 91 HN ASP 91 2.116 -13.576 -1.501 445 HA ASP 91 HA ASP 91 -0.378 -13.201 -2.726 446 HB2 ASP 91 HB2 ASP 91 0.611 -13.133 0.151 447 HB3 ASP 91 HB3 ASP 91 -1.066 -12.793 -0.230 448 HD2 ASP 91 HD2 ASP 91 0.443 -16.382 -1.073 449 H ALA 92 HN ALA 92 2.201 -11.090 -2.002 450 HA ALA 92 HA ALA 92 0.538 -8.821 -1.293 451 HB1 ALA 92 HB1 ALA 92 2.435 -8.299 -0.208 452 HB2 ALA 92 HB2 ALA 92 3.311 -9.624 -1.011 453 HB3 ALA 92 HB3 ALA 92 3.208 -8.026 -1.788 454 H LEU 93 HN LEU 93 2.032 -10.365 -4.085 455 HA LEU 93 HA LEU 93 2.168 -8.087 -5.730 456 HB2 LEU 93 HB2 LEU 93 2.020 -11.044 -6.307 457 HB3 LEU 93 HB3 LEU 93 2.195 -9.832 -7.561 458 HG LEU 93 HG LEU 93 4.142 -10.188 -5.267 459 HD11 LEU 93 HD1 LEU 93 4.920 -10.973 -8.019 460 HD11 LEU 93 HD1 LEU 93 5.367 -11.675 -6.446 461 HD11 LEU 93 HD1 LEU 93 3.787 -12.054 -7.172 462 HD22 LEU 93 HD2 LEU 93 5.641 -8.807 -6.644 463 HD22 LEU 93 HD2 LEU 93 4.336 -8.589 -7.835 464 HD22 LEU 93 HD2 LEU 93 4.156 -7.939 -6.188 465 H LYS 94 HN LYS 94 -0.475 -9.995 -4.508 466 HA LYS 94 HA LYS 94 -2.234 -9.256 -6.679 467 HB2 LYS 94 HB2 LYS 94 -3.896 -10.566 -5.482 468 HB3 LYS 94 HB3 LYS 94 -2.410 -11.477 -5.661 469 HG2 LYS 94 HG2 LYS 94 -2.090 -11.601 -3.407 470 HG3 LYS 94 HG3 LYS 94 -2.395 -9.890 -3.186 471 HD2 LYS 94 HD2 LYS 94 -4.075 -11.345 -2.009 472 HD3 LYS 94 HD3 LYS 94 -4.811 -10.245 -3.157 473 HE2 LYS 94 HE2 LYS 94 -4.399 -12.376 -4.810 474 HE3 LYS 94 HE3 LYS 94 -4.547 -13.232 -3.287 475 HZ1 LYS 94 HZ1 LYS 94 -6.659 -11.871 -2.960 476 HZ2 LYS 94 HZ2 LYS 94 -6.554 -11.444 -4.528 477 H ILE 95 HN ILE 95 -1.148 -8.042 -3.578 478 HA ILE 95 HA ILE 95 -3.462 -6.475 -3.053 479 HB ILE 95 HB ILE 95 -0.648 -6.206 -1.992 480 HG12 ILE 95 HG1 ILE 95 -1.715 -8.495 -1.742 481 HG13 ILE 95 HG1 ILE 95 -1.186 -7.711 -0.267 482 HG22 ILE 95 HG2 ILE 95 -3.246 -4.906 -1.341 483 HG22 ILE 95 HG2 ILE 95 -2.190 -5.363 0.016 484 HG22 ILE 95 HG2 ILE 95 -1.585 -4.273 -1.254 485 HD11 ILE 95 HD1 ILE 95 -3.374 -8.573 0.205 486 HD11 ILE 95 HD1 ILE 95 -3.593 -6.821 -0.022 487 HD11 ILE 95 HD1 ILE 95 -4.029 -7.949 -1.328 488 H GLY 96 HN GLY 96 -0.145 -5.748 -4.339 489 HA2 GLY 96 HA1 GLY 96 -0.309 -3.086 -4.778 490 HA3 GLY 96 HA2 GLY 96 0.496 -4.205 -5.861 491 H GLU 97 HN GLU 97 -2.118 -5.659 -6.456 492 HA GLU 97 HA GLU 97 -2.780 -4.151 -8.703 493 HB2 GLU 97 HB2 GLU 97 -4.492 -6.358 -7.501 494 HB3 GLU 97 HB3 GLU 97 -4.358 -5.905 -9.189 495 HG2 GLU 97 HG2 GLU 97 -1.829 -6.515 -8.966 496 HG3 GLU 97 HG3 GLU 97 -2.272 -7.290 -7.458 497 HE2 GLU 97 HE2 GLU 97 -3.470 -7.857 -11.020 498 H TYR 98 HN TYR 98 -4.457 -4.797 -5.615 499 HA TYR 98 HA TYR 98 -6.864 -3.493 -6.022 500 HB2 TYR 98 HB2 TYR 98 -6.197 -4.769 -4.000 501 HB3 TYR 98 HB3 TYR 98 -5.142 -3.428 -3.522 502 HD1 TYR 98 HD1 TYR 98 -8.718 -4.208 -4.337 503 HD2 TYR 98 HD2 TYR 98 -5.970 -1.712 -2.175 504 HE1 TYR 98 HE1 TYR 98 -10.619 -3.128 -3.167 505 HE2 TYR 98 HE2 TYR 98 -7.872 -0.632 -1.005 506 HH TYR 98 HH TYR 98 -10.203 -0.340 -1.038 507 H VAL 99 HN VAL 99 -3.611 -2.069 -5.701 508 HA VAL 99 HA VAL 99 -4.831 0.572 -5.454 509 HB VAL 99 HB VAL 99 -2.000 -0.448 -5.186 510 HG11 VAL 99 HG1 VAL 99 -1.507 1.643 -5.972 511 HG11 VAL 99 HG1 VAL 99 -3.065 2.331 -5.454 512 HG11 VAL 99 HG1 VAL 99 -1.776 2.045 -4.260 513 HG22 VAL 99 HG2 VAL 99 -4.144 -0.337 -3.365 514 HG22 VAL 99 HG2 VAL 99 -2.429 -0.650 -3.005 515 HG22 VAL 99 HG2 VAL 99 -3.067 1.010 -2.924 516 H VAL 100 HN VAL 100 -5.199 -1.014 -7.887 517 HA VAL 100 HA VAL 100 -4.023 0.902 -9.724 518 HB VAL 100 HB VAL 100 -3.638 -2.090 -9.916 519 HG11 VAL 100 HG1 VAL 100 -4.055 -1.614 -12.128 520 HG11 VAL 100 HG1 VAL 100 -3.493 0.069 -11.991 521 HG11 VAL 100 HG1 VAL 100 -2.312 -1.262 -12.053 522 HG22 VAL 100 HG2 VAL 100 -1.689 0.226 -9.696 523 HG22 VAL 100 HG2 VAL 100 -1.983 -1.057 -8.498 524 HG22 VAL 100 HG2 VAL 100 -1.224 -1.453 -10.058 525 H ALA 101 HN ALA 101 -6.699 0.078 -8.437 526 HA ALA 101 HA ALA 101 -8.116 -0.224 -10.991 527 HB1 ALA 101 HB1 ALA 101 -8.411 -1.740 -8.407 528 HB2 ALA 101 HB2 ALA 101 -9.855 -1.431 -9.400 529 HB3 ALA 101 HB3 ALA 101 -8.481 -2.332 -10.084 530 H SER 102 HN SER 102 -7.225 2.136 -9.311 531 HA SER 102 HA SER 102 -9.776 3.399 -9.318 532 HB2 SER 102 HB2 SER 102 -9.621 4.224 -6.965 533 HB3 SER 102 HB3 SER 102 -9.843 2.488 -7.054 534 HG SER 102 HG SER 102 -8.200 2.881 -5.544 535 H PHE 103 HN PHE 103 -6.283 3.516 -8.386 536 HA PHE 103 HA PHE 103 -6.016 5.940 -9.936 537 HB2 PHE 103 HB2 PHE 103 -4.591 6.629 -7.676 538 HB3 PHE 103 HB3 PHE 103 -6.248 7.137 -7.938 539 HD1 PHE 103 HD1 PHE 103 -4.836 3.833 -6.923 540 HD2 PHE 103 HD2 PHE 103 -7.309 7.122 -5.886 541 HE1 PHE 103 HE1 PHE 103 -5.531 2.647 -4.823 542 HE2 PHE 103 HE2 PHE 103 -8.005 5.936 -3.786 543 HZ PHE 103 HZ PHE 103 -7.108 3.713 -3.279 544 HA PRO 104 HA PRO 104 -2.426 3.149 -10.320 545 HB2 PRO 104 HB2 PRO 104 -2.425 2.991 -13.038 546 HB3 PRO 104 HB3 PRO 104 -3.592 2.063 -12.040 547 HG2 PRO 104 HG2 PRO 104 -4.059 4.583 -13.551 548 HG3 PRO 104 HG3 PRO 104 -5.099 3.137 -13.337 549 HD2 PRO 104 HD2 PRO 104 -5.279 5.570 -11.879 550 HD3 PRO 104 HD3 PRO 104 -5.967 4.002 -11.359 Start of MODEL 17 1 H ALA 25 HN ALA 25 -12.573 -7.159 -2.682 2 HA ALA 25 HA ALA 25 -12.635 -8.342 -5.372 3 HB1 ALA 25 HB1 ALA 25 -12.664 -5.690 -4.673 4 HB2 ALA 25 HB2 ALA 25 -10.918 -5.982 -4.857 5 HB3 ALA 25 HB3 ALA 25 -12.024 -6.320 -6.210 6 H GLY 26 HN GLY 26 -11.738 -10.100 -3.545 7 HA2 GLY 26 HA1 GLY 26 -9.971 -11.308 -2.849 8 HA3 GLY 26 HA2 GLY 26 -9.209 -10.790 -4.339 9 H GLY 27 HN GLY 27 -7.741 -8.984 -4.350 10 HA2 GLY 27 HA1 GLY 27 -6.067 -8.726 -2.190 11 HA3 GLY 27 HA2 GLY 27 -6.225 -7.562 -3.490 12 H GLY 28 HN GLY 28 -9.109 -6.980 -2.932 13 HA2 GLY 28 HA1 GLY 28 -8.764 -4.837 -1.139 14 HA3 GLY 28 HA2 GLY 28 -10.278 -5.438 -1.785 15 H GLU 29 HN GLU 29 -9.910 -8.216 -0.752 16 HA GLU 29 HA GLU 29 -11.123 -7.821 1.719 17 HB2 GLU 29 HB2 GLU 29 -11.433 -9.805 0.184 18 HB3 GLU 29 HB3 GLU 29 -9.839 -10.371 0.643 19 HG2 GLU 29 HG2 GLU 29 -10.825 -10.063 3.128 20 HG3 GLU 29 HG3 GLU 29 -12.358 -10.239 2.299 21 HE2 GLU 29 HE2 GLU 29 -12.022 -12.210 3.811 22 H LEU 30 HN LEU 30 -7.772 -8.023 0.722 23 HA LEU 30 HA LEU 30 -6.888 -8.662 3.416 24 HB2 LEU 30 HB2 LEU 30 -5.268 -8.141 0.921 25 HB3 LEU 30 HB3 LEU 30 -4.681 -8.784 2.442 26 HG LEU 30 HG LEU 30 -6.424 -10.123 0.381 27 HD11 LEU 30 HD1 LEU 30 -3.676 -10.476 1.470 28 HD11 LEU 30 HD1 LEU 30 -4.582 -11.943 1.027 29 HD11 LEU 30 HD1 LEU 30 -4.295 -10.673 -0.187 30 HD22 LEU 30 HD2 LEU 30 -7.473 -10.453 2.604 31 HD22 LEU 30 HD2 LEU 30 -6.860 -11.958 1.880 32 HD22 LEU 30 HD2 LEU 30 -5.948 -11.163 3.186 33 H PHE 31 HN PHE 31 -6.902 -5.980 1.013 34 HA PHE 31 HA PHE 31 -5.404 -4.238 2.661 35 HB2 PHE 31 HB2 PHE 31 -5.548 -3.924 0.231 36 HB3 PHE 31 HB3 PHE 31 -7.298 -4.004 0.261 37 HD1 PHE 31 HD1 PHE 31 -8.478 -2.107 1.657 38 HD2 PHE 31 HD2 PHE 31 -4.527 -1.850 0.130 39 HE1 PHE 31 HE1 PHE 31 -8.591 0.397 1.787 40 HE2 PHE 31 HE2 PHE 31 -4.640 0.654 0.260 41 HZ PHE 31 HZ PHE 31 -6.670 1.748 1.087 42 H ALA 32 HN ALA 32 -8.660 -5.386 2.781 43 HA ALA 32 HA ALA 32 -9.586 -2.975 4.144 44 HB1 ALA 32 HB1 ALA 32 -10.989 -5.484 3.143 45 HB2 ALA 32 HB2 ALA 32 -11.800 -4.163 4.018 46 HB3 ALA 32 HB3 ALA 32 -11.058 -3.854 2.430 47 H THR 33 HN THR 33 -7.501 -4.312 5.474 48 HA THR 33 HA THR 33 -8.662 -4.752 7.982 49 HB THR 33 HB THR 33 -8.208 -7.163 6.218 50 HG1 THR 33 HG1 THR 33 -10.351 -6.878 6.785 51 HG22 THR 33 HG2 THR 33 -8.377 -8.295 8.702 52 HG22 THR 33 HG2 THR 33 -6.828 -8.066 7.857 53 HG22 THR 33 HG2 THR 33 -7.354 -6.889 9.084 54 H HIS 34 HN HIS 34 -5.939 -5.312 5.724 55 HA HIS 34 HA HIS 34 -4.137 -4.922 7.989 56 HB2 HIS 34 HB2 HIS 34 -3.516 -5.921 5.196 57 HB3 HIS 34 HB3 HIS 34 -2.401 -5.846 6.546 58 HD1 HIS 34 HD1 HIS 34 -2.901 -7.517 8.598 59 HD2 HIS 34 HD2 HIS 34 -5.110 -8.193 5.097 60 HE1 HIS 34 HE1 HIS 34 -3.876 -9.865 8.810 61 H CYS 35 HN CYS 35 -5.833 -3.066 5.898 62 HA CYS 35 HA CYS 35 -3.739 -1.054 5.899 63 HB2 CYS 35 HB2 CYS 35 -5.378 -1.446 3.409 64 HB3 CYS 35 HB3 CYS 35 -3.934 -0.480 3.636 65 H ALA 36 HN ALA 36 -7.167 -1.974 5.148 66 HA ALA 36 HA ALA 36 -8.420 0.384 5.093 67 HB1 ALA 36 HB1 ALA 36 -10.074 -1.122 6.743 68 HB2 ALA 36 HB2 ALA 36 -10.009 -1.218 4.967 69 HB3 ALA 36 HB3 ALA 36 -9.059 -2.353 5.955 70 H GLY 37 HN GLY 37 -6.953 -1.181 7.958 71 HA2 GLY 37 HA1 GLY 37 -8.033 0.756 9.801 72 HA3 GLY 37 HA2 GLY 37 -6.872 -0.513 10.133 73 H CYS 38 HN CYS 38 -6.824 2.224 7.742 74 HA CYS 38 HA CYS 38 -5.226 3.951 9.054 75 HB2 CYS 38 HB2 CYS 38 -3.683 1.586 8.355 76 HB3 CYS 38 HB3 CYS 38 -3.037 3.010 7.564 77 H HIS 39 HN HIS 39 -5.970 2.133 6.079 78 HA HIS 39 HA HIS 39 -5.728 4.649 4.594 79 HB2 HIS 39 HB2 HIS 39 -5.188 1.801 3.750 80 HB3 HIS 39 HB3 HIS 39 -5.511 3.062 2.577 81 HD1 HIS 39 HD1 HIS 39 -3.846 5.358 3.147 82 HD2 HIS 39 HD2 HIS 39 -2.513 1.505 4.135 83 HE1 HIS 39 HE1 HIS 39 -1.308 5.511 3.356 84 HA PRO 40 HA PRO 40 -10.155 3.199 4.844 85 HB2 PRO 40 HB2 PRO 40 -11.200 5.334 6.139 86 HB3 PRO 40 HB3 PRO 40 -10.293 4.069 7.029 87 HG2 PRO 40 HG2 PRO 40 -8.913 6.857 6.107 88 HG3 PRO 40 HG3 PRO 40 -9.209 5.934 7.617 89 HD2 PRO 40 HD2 PRO 40 -6.995 5.599 5.904 90 HD3 PRO 40 HD3 PRO 40 -7.605 4.344 7.025 91 H GLN 41 HN GLN 41 -11.384 3.601 2.998 92 HA GLN 41 HA GLN 41 -11.856 4.491 1.055 93 HB2 GLN 41 HB2 GLN 41 -13.070 5.924 2.941 94 HB3 GLN 41 HB3 GLN 41 -12.039 7.213 2.352 95 HG2 GLN 41 HG2 GLN 41 -13.181 5.841 0.070 96 HG3 GLN 41 HG3 GLN 41 -14.474 6.222 1.189 97 HE21 GLN 41 HE2 GLN 41 -13.644 7.306 -1.469 98 HE21 GLN 41 HE2 GLN 41 -13.537 9.024 -1.277 99 H GLY 42 HN GLY 42 -9.328 4.095 0.725 100 HA2 GLY 42 HA1 GLY 42 -7.325 4.820 -0.041 101 HA3 GLY 42 HA2 GLY 42 -8.323 5.809 -1.089 102 H GLY 43 HN GLY 43 -8.390 6.260 2.441 103 HA2 GLY 43 HA1 GLY 43 -7.061 8.870 2.053 104 HA3 GLY 43 HA2 GLY 43 -8.284 8.510 3.255 105 H ASN 44 HN ASN 44 -6.904 9.194 5.001 106 HA ASN 44 HA ASN 44 -5.267 7.081 5.936 107 HB2 ASN 44 HB2 ASN 44 -4.017 9.297 4.526 108 HB3 ASN 44 HB3 ASN 44 -3.565 9.393 6.216 109 HD21 ASN 44 HD2 ASN 44 -1.690 8.903 4.324 110 HD21 ASN 44 HD2 ASN 44 -1.088 7.283 4.433 111 H THR 45 HN THR 45 -5.076 7.252 8.256 112 HA THR 45 HA THR 45 -6.436 9.597 9.404 113 HB THR 45 HB THR 45 -6.916 7.952 11.293 114 HG1 THR 45 HG1 THR 45 -6.172 5.826 10.923 115 HG22 THR 45 HG2 THR 45 -8.679 8.158 9.590 116 HG22 THR 45 HG2 THR 45 -7.761 7.127 8.467 117 HG22 THR 45 HG2 THR 45 -8.452 6.429 9.951 118 H VAL 46 HN VAL 46 -3.402 8.650 8.701 119 HA VAL 46 HA VAL 46 -2.368 9.517 11.310 120 HB VAL 46 HB VAL 46 -1.039 7.925 9.108 121 HG11 VAL 46 HG1 VAL 46 0.848 8.704 10.053 122 HG11 VAL 46 HG1 VAL 46 -0.006 9.300 11.497 123 HG11 VAL 46 HG1 VAL 46 0.466 7.587 11.385 124 HG22 VAL 46 HG2 VAL 46 -1.065 6.272 11.248 125 HG22 VAL 46 HG2 VAL 46 -2.583 7.158 11.527 126 HG22 VAL 46 HG2 VAL 46 -2.330 6.284 9.997 127 H HIS 47 HN HIS 47 -1.654 9.681 7.746 128 HA HIS 47 HA HIS 47 -0.747 12.423 8.248 129 HB2 HIS 47 HB2 HIS 47 0.271 10.351 6.293 130 HB3 HIS 47 HB3 HIS 47 0.660 12.054 6.160 131 HD1 HIS 47 HD1 HIS 47 3.112 10.583 6.498 132 HD2 HIS 47 HD2 HIS 47 0.735 11.460 9.842 133 HE1 HIS 47 HE1 HIS 47 4.643 10.401 8.531 134 HA PRO 48 HA PRO 48 -4.149 13.292 5.521 135 HB2 PRO 48 HB2 PRO 48 -4.503 15.861 6.196 136 HB3 PRO 48 HB3 PRO 48 -4.761 14.577 7.422 137 HG2 PRO 48 HG2 PRO 48 -2.178 16.256 7.042 138 HG3 PRO 48 HG3 PRO 48 -3.099 15.905 8.541 139 HD2 PRO 48 HD2 PRO 48 -0.869 14.451 7.628 140 HD3 PRO 48 HD3 PRO 48 -2.130 13.785 8.710 141 H GLU 49 HN GLU 49 -0.938 13.667 5.024 142 HA GLU 49 HA GLU 49 -1.438 15.411 2.743 143 HB2 GLU 49 HB2 GLU 49 1.211 15.300 4.237 144 HB3 GLU 49 HB3 GLU 49 0.735 16.440 2.994 145 HG2 GLU 49 HG2 GLU 49 -1.132 16.369 5.299 146 HG3 GLU 49 HG3 GLU 49 0.494 16.851 5.740 147 HE2 GLU 49 HE2 GLU 49 -2.163 17.601 3.767 148 H LYS 50 HN LYS 50 -0.932 12.315 3.704 149 HA LYS 50 HA LYS 50 0.582 11.712 1.268 150 HB2 LYS 50 HB2 LYS 50 0.937 10.255 3.901 151 HB3 LYS 50 HB3 LYS 50 1.806 9.969 2.407 152 HG2 LYS 50 HG2 LYS 50 1.866 12.774 3.485 153 HG3 LYS 50 HG3 LYS 50 2.764 11.568 4.384 154 HD2 LYS 50 HD2 LYS 50 4.423 12.112 2.879 155 HD3 LYS 50 HD3 LYS 50 3.613 10.910 1.896 156 HE2 LYS 50 HE2 LYS 50 2.251 12.718 0.815 157 HE3 LYS 50 HE3 LYS 50 3.074 13.917 1.792 158 HZ1 LYS 50 HZ1 LYS 50 4.172 13.772 -0.327 159 HZ2 LYS 50 HZ2 LYS 50 5.193 13.122 0.762 160 H THR 51 HN THR 51 -1.314 11.273 0.094 161 HA THR 51 HA THR 51 -3.033 9.172 1.215 162 HB THR 51 HB THR 51 -4.693 10.031 -0.379 163 HG1 THR 51 HG1 THR 51 -3.869 11.082 -2.151 164 HG22 THR 51 HG2 THR 51 -3.845 11.555 1.722 165 HG22 THR 51 HG2 THR 51 -3.414 12.643 0.381 166 HG22 THR 51 HG2 THR 51 -5.100 12.109 0.588 167 H LEU 52 HN LEU 52 -4.118 8.102 -1.085 168 HA LEU 52 HA LEU 52 -1.796 6.629 -2.060 169 HB2 LEU 52 HB2 LEU 52 -4.752 6.010 -2.122 170 HB3 LEU 52 HB3 LEU 52 -3.504 4.992 -2.812 171 HG LEU 52 HG LEU 52 -3.884 5.668 0.115 172 HD11 LEU 52 HD1 LEU 52 -5.481 4.043 -0.617 173 HD11 LEU 52 HD1 LEU 52 -4.225 3.107 -1.464 174 HD11 LEU 52 HD1 LEU 52 -4.220 3.200 0.314 175 HD22 LEU 52 HD2 LEU 52 -1.674 4.086 -1.222 176 HD22 LEU 52 HD2 LEU 52 -1.516 5.599 -0.298 177 HD22 LEU 52 HD2 LEU 52 -2.001 4.099 0.528 178 H ALA 53 HN ALA 53 -2.717 9.438 -2.906 179 HA ALA 53 HA ALA 53 -3.740 9.107 -5.543 180 HB1 ALA 53 HB1 ALA 53 -3.289 11.543 -5.687 181 HB2 ALA 53 HB2 ALA 53 -4.165 11.118 -4.197 182 HB3 ALA 53 HB3 ALA 53 -2.421 11.463 -4.136 183 H ARG 54 HN ARG 54 -2.651 8.775 -7.437 184 HA ARG 54 HA ARG 54 -0.060 7.897 -7.361 185 HB2 ARG 54 HB2 ARG 54 -1.810 7.484 -9.177 186 HB3 ARG 54 HB3 ARG 54 -1.492 9.097 -9.783 187 HG2 ARG 54 HG2 ARG 54 1.077 8.016 -9.568 188 HG3 ARG 54 HG3 ARG 54 0.124 6.631 -10.062 189 HD2 ARG 54 HD2 ARG 54 -0.733 7.840 -12.023 190 HD3 ARG 54 HD3 ARG 54 0.013 9.332 -11.486 191 HE ARG 54 HE ARG 54 1.871 7.067 -11.859 192 H ALA 55 HN ALA 55 -1.429 11.153 -7.748 193 HA ALA 55 HA ALA 55 0.630 12.482 -8.979 194 HB1 ALA 55 HB1 ALA 55 -1.178 13.410 -6.709 195 HB2 ALA 55 HB2 ALA 55 -0.263 14.472 -7.806 196 HB3 ALA 55 HB3 ALA 55 -1.571 13.449 -8.445 197 H ARG 56 HN ARG 56 0.176 11.799 -5.443 198 HA ARG 56 HA ARG 56 2.647 12.978 -4.809 199 HB2 ARG 56 HB2 ARG 56 0.978 11.004 -3.170 200 HB3 ARG 56 HB3 ARG 56 2.228 12.057 -2.537 201 HG2 ARG 56 HG2 ARG 56 0.051 13.402 -4.099 202 HG3 ARG 56 HG3 ARG 56 -0.425 12.714 -2.559 203 HD2 ARG 56 HD2 ARG 56 1.626 13.949 -1.546 204 HD3 ARG 56 HD3 ARG 56 1.723 14.817 -3.066 205 HE ARG 56 HE ARG 56 -0.083 16.111 -2.368 206 H ARG 57 HN ARG 57 1.584 9.822 -5.926 207 HA ARG 57 HA ARG 57 3.705 8.354 -4.832 208 HB2 ARG 57 HB2 ARG 57 1.870 7.809 -7.218 209 HB3 ARG 57 HB3 ARG 57 2.990 6.626 -6.574 210 HG2 ARG 57 HG2 ARG 57 1.667 7.451 -4.275 211 HG3 ARG 57 HG3 ARG 57 0.394 7.563 -5.474 212 HD2 ARG 57 HD2 ARG 57 2.135 5.079 -5.352 213 HD3 ARG 57 HD3 ARG 57 0.803 5.267 -4.228 214 HE ARG 57 HE ARG 57 -0.278 5.847 -6.757 215 H GLU 58 HN GLU 58 3.708 10.818 -7.100 216 HA GLU 58 HA GLU 58 5.577 9.607 -8.905 217 HB2 GLU 58 HB2 GLU 58 5.206 11.438 -10.277 218 HB3 GLU 58 HB3 GLU 58 3.709 11.446 -9.365 219 HG2 GLU 58 HG2 GLU 58 4.635 13.136 -7.802 220 HG3 GLU 58 HG3 GLU 58 6.180 13.085 -8.626 221 HE2 GLU 58 HE2 GLU 58 5.281 14.890 -11.302 222 H ALA 59 HN ALA 59 5.527 12.233 -6.407 223 HA ALA 59 HA ALA 59 8.182 12.989 -6.652 224 HB1 ALA 59 HB1 ALA 59 7.625 13.409 -4.008 225 HB2 ALA 59 HB2 ALA 59 7.075 14.473 -5.325 226 HB3 ALA 59 HB3 ALA 59 5.983 13.229 -4.670 227 H ASN 60 HN ASN 60 6.643 10.551 -4.441 228 HA ASN 60 HA ASN 60 9.150 9.769 -3.423 229 HB2 ASN 60 HB2 ASN 60 6.318 8.662 -3.274 230 HB3 ASN 60 HB3 ASN 60 7.651 7.727 -2.626 231 HD21 ASN 60 HD2 ASN 60 7.110 11.237 -2.735 232 HD21 ASN 60 HD2 ASN 60 7.142 11.522 -1.027 233 H GLY 61 HN GLY 61 6.929 8.748 -6.039 234 HA2 GLY 61 HA1 GLY 61 7.471 7.543 -7.910 235 HA3 GLY 61 HA2 GLY 61 9.002 7.081 -7.195 236 H ILE 62 HN ILE 62 5.451 6.472 -7.098 237 HA ILE 62 HA ILE 62 6.060 3.697 -6.453 238 HB ILE 62 HB ILE 62 4.061 5.367 -4.925 239 HG12 ILE 62 HG1 ILE 62 6.844 4.432 -4.303 240 HG13 ILE 62 HG1 ILE 62 6.101 5.992 -4.013 241 HG22 ILE 62 HG2 ILE 62 4.793 2.438 -4.667 242 HG22 ILE 62 HG2 ILE 62 3.708 3.344 -3.586 243 HG22 ILE 62 HG2 ILE 62 3.261 3.095 -5.290 244 HD11 ILE 62 HD1 ILE 62 4.513 4.737 -2.372 245 HD11 ILE 62 HD1 ILE 62 5.686 3.402 -2.482 246 HD11 ILE 62 HD1 ILE 62 6.199 4.990 -1.861 247 H ARG 63 HN ARG 63 5.667 4.061 -8.945 248 HA ARG 63 HA ARG 63 2.790 3.844 -9.345 249 HB2 ARG 63 HB2 ARG 63 4.720 4.496 -11.593 250 HB3 ARG 63 HB3 ARG 63 3.015 4.881 -11.473 251 HG2 ARG 63 HG2 ARG 63 3.616 6.939 -10.731 252 HG3 ARG 63 HG3 ARG 63 4.146 6.179 -9.244 253 HD2 ARG 63 HD2 ARG 63 6.010 6.185 -11.633 254 HD3 ARG 63 HD3 ARG 63 5.840 7.648 -10.685 255 HE ARG 63 HE ARG 63 6.279 5.839 -8.709 256 H THR 64 HN THR 64 3.812 1.525 -8.504 257 HA THR 64 HA THR 64 3.718 -0.144 -10.841 258 HB THR 64 HB THR 64 5.946 -1.236 -10.271 259 HG1 THR 64 HG1 THR 64 7.186 -0.113 -8.686 260 HG22 THR 64 HG2 THR 64 6.323 1.761 -10.723 261 HG22 THR 64 HG2 THR 64 7.357 0.432 -11.299 262 HG22 THR 64 HG2 THR 64 5.747 0.681 -12.015 263 H VAL 65 HN VAL 65 3.344 -2.384 -10.333 264 HA VAL 65 HA VAL 65 1.759 -2.658 -8.019 265 HB VAL 65 HB VAL 65 2.803 -4.543 -10.124 266 HG11 VAL 65 HG1 VAL 65 0.932 -6.076 -9.061 267 HG11 VAL 65 HG1 VAL 65 2.597 -6.094 -8.433 268 HG11 VAL 65 HG1 VAL 65 1.336 -5.169 -7.584 269 HG22 VAL 65 HG2 VAL 65 0.523 -4.555 -10.915 270 HG22 VAL 65 HG2 VAL 65 -0.018 -3.607 -9.509 271 HG22 VAL 65 HG2 VAL 65 1.050 -2.865 -10.724 272 H ARG 66 HN ARG 66 4.965 -4.075 -8.979 273 HA ARG 66 HA ARG 66 5.457 -5.528 -6.800 274 HB2 ARG 66 HB2 ARG 66 7.332 -3.774 -8.447 275 HB3 ARG 66 HB3 ARG 66 7.945 -4.829 -7.189 276 HG2 ARG 66 HG2 ARG 66 6.953 -6.802 -8.305 277 HG3 ARG 66 HG3 ARG 66 6.211 -5.779 -9.519 278 HD2 ARG 66 HD2 ARG 66 8.729 -4.944 -9.899 279 HD3 ARG 66 HD3 ARG 66 9.131 -6.479 -9.156 280 HE ARG 66 HE ARG 66 8.254 -7.623 -11.033 281 H ASP 67 HN ASP 67 6.611 -2.089 -7.205 282 HA ASP 67 HA ASP 67 7.686 -1.555 -4.905 283 HB2 ASP 67 HB2 ASP 67 5.700 0.022 -6.543 284 HB3 ASP 67 HB3 ASP 67 6.209 0.696 -5.007 285 HD2 ASP 67 HD2 ASP 67 7.682 2.339 -5.771 286 H VAL 68 HN VAL 68 4.154 -1.983 -5.485 287 HA VAL 68 HA VAL 68 3.551 -1.435 -2.704 288 HB VAL 68 HB VAL 68 1.771 -2.257 -5.006 289 HG11 VAL 68 HG1 VAL 68 -0.017 -1.220 -3.553 290 HG11 VAL 68 HG1 VAL 68 0.669 -2.745 -2.942 291 HG11 VAL 68 HG1 VAL 68 1.174 -1.193 -2.230 292 HG22 VAL 68 HG2 VAL 68 1.641 -0.119 -5.699 293 HG22 VAL 68 HG2 VAL 68 1.646 0.524 -4.039 294 HG22 VAL 68 HG2 VAL 68 3.180 0.091 -4.830 295 H ALA 69 HN ALA 69 5.300 -3.446 -2.599 296 HA ALA 69 HA ALA 69 3.777 -5.552 -1.503 297 HB1 ALA 69 HB1 ALA 69 4.786 -7.305 -3.120 298 HB2 ALA 69 HB2 ALA 69 3.383 -6.368 -3.686 299 HB3 ALA 69 HB3 ALA 69 5.020 -5.940 -4.238 300 H ALA 70 HN ALA 70 6.884 -4.385 -2.899 301 HA ALA 70 HA ALA 70 8.437 -6.033 -1.146 302 HB1 ALA 70 HB1 ALA 70 10.306 -5.028 -2.235 303 HB2 ALA 70 HB2 ALA 70 9.057 -5.203 -3.491 304 HB3 ALA 70 HB3 ALA 70 9.348 -3.616 -2.742 305 H TYR 71 HN TYR 71 8.146 -2.478 -1.547 306 HA TYR 71 HA TYR 71 9.382 -1.638 0.762 307 HB2 TYR 71 HB2 TYR 71 7.345 -0.606 -1.078 308 HB3 TYR 71 HB3 TYR 71 7.189 0.055 0.559 309 HD1 TYR 71 HD1 TYR 71 10.051 -0.799 -1.736 310 HD2 TYR 71 HD2 TYR 71 8.195 2.113 0.818 311 HE1 TYR 71 HE1 TYR 71 11.901 0.788 -2.201 312 HE2 TYR 71 HE2 TYR 71 10.044 3.700 0.354 313 HH TYR 71 HH TYR 71 12.976 2.841 -1.047 314 H ILE 72 HN ILE 72 5.813 -2.405 0.463 315 HA ILE 72 HA ILE 72 5.039 -1.924 2.983 316 HB ILE 72 HB ILE 72 3.417 -3.775 2.691 317 HG12 ILE 72 HG1 ILE 72 4.435 -4.324 -0.056 318 HG13 ILE 72 HG1 ILE 72 5.299 -5.069 1.273 319 HG22 ILE 72 HG2 ILE 72 2.358 -2.830 0.647 320 HG22 ILE 72 HG2 ILE 72 2.893 -1.598 1.815 321 HG22 ILE 72 HG2 ILE 72 3.850 -1.906 0.346 322 HD11 ILE 72 HD1 ILE 72 3.665 -6.683 0.920 323 HD11 ILE 72 HD1 ILE 72 2.818 -5.665 2.109 324 HD11 ILE 72 HD1 ILE 72 2.460 -5.493 0.374 325 H ARG 73 HN ARG 73 7.084 -4.630 1.850 326 HA ARG 73 HA ARG 73 6.929 -6.171 4.110 327 HB2 ARG 73 HB2 ARG 73 8.052 -6.701 1.848 328 HB3 ARG 73 HB3 ARG 73 9.439 -5.788 2.408 329 HG2 ARG 73 HG2 ARG 73 10.142 -7.475 3.777 330 HG3 ARG 73 HG3 ARG 73 8.533 -7.743 4.419 331 HD2 ARG 73 HD2 ARG 73 8.226 -9.550 3.074 332 HD3 ARG 73 HD3 ARG 73 8.611 -8.617 1.642 333 HE ARG 73 HE ARG 73 10.946 -9.397 3.263 334 H ASN 74 HN ASN 74 9.546 -3.802 3.181 335 HA ASN 74 HA ASN 74 9.939 -3.388 6.039 336 HB2 ASN 74 HB2 ASN 74 11.793 -4.682 4.627 337 HB3 ASN 74 HB3 ASN 74 12.198 -3.087 4.026 338 HD21 ASN 74 HD2 ASN 74 11.373 -4.676 7.109 339 HD21 ASN 74 HD2 ASN 74 12.601 -3.928 8.076 340 HA PRO 75 HA PRO 75 9.127 0.617 3.856 341 HB2 PRO 75 HB2 PRO 75 6.934 1.384 5.278 342 HB3 PRO 75 HB3 PRO 75 6.830 0.160 3.970 343 HG2 PRO 75 HG2 PRO 75 6.932 -0.134 6.759 344 HG3 PRO 75 HG3 PRO 75 5.911 -1.209 5.750 345 HD2 PRO 75 HD2 PRO 75 8.354 -1.964 6.854 346 HD3 PRO 75 HD3 PRO 75 7.725 -2.642 5.321 347 H GLY 76 HN GLY 76 8.866 2.919 5.024 348 HA2 GLY 76 HA1 GLY 76 10.867 2.931 7.140 349 HA3 GLY 76 HA2 GLY 76 10.244 4.302 6.244 350 HA PRO 77 HA PRO 77 8.532 4.238 10.625 351 HB2 PRO 77 HB2 PRO 77 9.160 7.156 10.201 352 HB3 PRO 77 HB3 PRO 77 9.486 6.081 11.599 353 HG2 PRO 77 HG2 PRO 77 11.536 6.809 9.914 354 HG3 PRO 77 HG3 PRO 77 11.271 5.254 10.769 355 HD2 PRO 77 HD2 PRO 77 10.688 6.028 7.864 356 HD3 PRO 77 HD3 PRO 77 11.474 4.549 8.493 357 H GLY 78 HN GLY 78 6.440 5.182 11.290 358 HA2 GLY 78 HA1 GLY 78 4.555 6.490 10.899 359 HA3 GLY 78 HA2 GLY 78 5.045 6.733 9.234 360 H MET 79 HN MET 79 5.680 3.887 8.689 361 HA MET 79 HA MET 79 2.965 2.823 8.824 362 HB2 MET 79 HB2 MET 79 4.021 3.708 6.529 363 HB3 MET 79 HB3 MET 79 4.904 2.195 6.562 364 HG2 MET 79 HG2 MET 79 2.898 0.882 6.463 365 HG3 MET 79 HG3 MET 79 1.885 2.232 6.936 366 HE1 MET 79 HE1 MET 79 2.224 0.341 3.454 367 HE2 MET 79 HE2 MET 79 3.786 1.105 3.073 368 HE3 MET 79 HE3 MET 79 3.570 0.241 4.614 369 HA PRO 80 HA PRO 80 4.714 -0.574 11.007 370 HB2 PRO 80 HB2 PRO 80 2.434 -2.060 9.705 371 HB3 PRO 80 HB3 PRO 80 2.876 -1.878 11.434 372 HG2 PRO 80 HG2 PRO 80 0.764 -0.498 10.367 373 HG3 PRO 80 HG3 PRO 80 1.916 -0.006 11.652 374 HD2 PRO 80 HD2 PRO 80 1.814 0.758 8.696 375 HD3 PRO 80 HD3 PRO 80 2.155 1.793 10.116 376 H ALA 81 HN ALA 81 4.131 -3.308 9.815 377 HA ALA 81 HA ALA 81 5.452 -3.196 7.250 378 HB1 ALA 81 HB1 ALA 81 6.757 -4.633 9.593 379 HB2 ALA 81 HB2 ALA 81 7.372 -4.510 7.927 380 HB3 ALA 81 HB3 ALA 81 7.297 -3.060 8.958 381 H PHE 82 HN PHE 82 5.641 -5.494 6.334 382 HA PHE 82 HA PHE 82 3.800 -7.346 7.610 383 HB2 PHE 82 HB2 PHE 82 3.637 -6.306 4.717 384 HB3 PHE 82 HB3 PHE 82 2.611 -7.565 5.375 385 HD1 PHE 82 HD1 PHE 82 3.243 -3.984 5.234 386 HD2 PHE 82 HD2 PHE 82 0.854 -7.014 6.999 387 HE1 PHE 82 HE1 PHE 82 1.586 -2.248 5.971 388 HE2 PHE 82 HE2 PHE 82 -0.803 -5.279 7.736 389 HZ PHE 82 HZ PHE 82 -0.417 -2.917 7.214 390 H GLY 83 HN GLY 83 5.271 -8.997 7.903 391 HA2 GLY 83 HA1 GLY 83 7.218 -9.600 5.844 392 HA3 GLY 83 HA2 GLY 83 7.030 -10.371 7.406 393 H GLU 84 HN GLU 84 7.442 -12.294 5.799 394 HA GLU 84 HA GLU 84 5.098 -13.012 4.316 395 HB2 GLU 84 HB2 GLU 84 6.423 -14.903 3.529 396 HB3 GLU 84 HB3 GLU 84 7.400 -13.451 3.444 397 HG2 GLU 84 HG2 GLU 84 7.674 -14.715 6.072 398 HG3 GLU 84 HG3 GLU 84 8.033 -15.865 4.799 399 HE2 GLU 84 HE2 GLU 84 10.374 -15.222 5.982 400 H ALA 85 HN ALA 85 5.442 -12.852 7.469 401 HA ALA 85 HA ALA 85 5.006 -15.543 8.304 402 HB1 ALA 85 HB1 ALA 85 5.935 -14.299 10.004 403 HB2 ALA 85 HB2 ALA 85 5.085 -12.810 9.526 404 HB3 ALA 85 HB3 ALA 85 4.216 -14.085 10.415 405 H MET 86 HN MET 86 2.962 -12.627 7.689 406 HA MET 86 HA MET 86 0.639 -14.328 8.089 407 HB2 MET 86 HB2 MET 86 1.072 -11.939 9.192 408 HB3 MET 86 HB3 MET 86 0.590 -11.315 7.627 409 HG2 MET 86 HG2 MET 86 -1.112 -13.275 9.239 410 HG3 MET 86 HG3 MET 86 -1.302 -11.536 9.335 411 HE1 MET 86 HE1 MET 86 -2.535 -14.522 6.329 412 HE2 MET 86 HE2 MET 86 -2.060 -14.607 8.042 413 HE3 MET 86 HE3 MET 86 -3.679 -14.017 7.596 414 H ILE 87 HN ILE 87 1.900 -11.763 5.836 415 HA ILE 87 HA ILE 87 0.313 -13.057 3.728 416 HB ILE 87 HB ILE 87 1.151 -10.162 3.925 417 HG12 ILE 87 HG1 ILE 87 -1.308 -11.608 4.824 418 HG13 ILE 87 HG1 ILE 87 -0.455 -10.271 5.570 419 HG22 ILE 87 HG2 ILE 87 -0.962 -11.178 2.069 420 HG22 ILE 87 HG2 ILE 87 0.120 -9.772 1.919 421 HG22 ILE 87 HG2 ILE 87 0.749 -11.413 1.637 422 HD11 ILE 87 HD1 ILE 87 -2.441 -10.227 3.299 423 HD11 ILE 87 HD1 ILE 87 -2.340 -9.175 4.731 424 HD11 ILE 87 HD1 ILE 87 -1.202 -8.952 3.380 425 HA PRO 88 HA PRO 88 4.337 -14.108 2.201 426 HB2 PRO 88 HB2 PRO 88 3.463 -15.609 0.098 427 HB3 PRO 88 HB3 PRO 88 3.290 -16.162 1.796 428 HG2 PRO 88 HG2 PRO 88 1.585 -14.782 0.141 429 HG3 PRO 88 HG3 PRO 88 0.853 -16.205 0.953 430 HD2 PRO 88 HD2 PRO 88 0.268 -13.863 1.974 431 HD3 PRO 88 HD3 PRO 88 0.983 -15.039 3.118 432 HA PRO 89 HA PRO 89 5.208 -10.767 -0.529 433 HB2 PRO 89 HB2 PRO 89 6.839 -12.888 -1.963 434 HB3 PRO 89 HB3 PRO 89 7.284 -11.234 -1.432 435 HG2 PRO 89 HG2 PRO 89 8.033 -13.483 0.052 436 HG3 PRO 89 HG3 PRO 89 7.647 -11.797 0.527 437 HD2 PRO 89 HD2 PRO 89 6.052 -14.350 0.860 438 HD3 PRO 89 HD3 PRO 89 6.072 -12.884 1.886 439 H ALA 90 HN ALA 90 4.625 -14.060 -2.014 440 HA ALA 90 HA ALA 90 3.862 -13.106 -4.502 441 HB1 ALA 90 HB1 ALA 90 4.345 -15.413 -4.273 442 HB2 ALA 90 HB2 ALA 90 3.228 -15.600 -2.900 443 HB3 ALA 90 HB3 ALA 90 2.586 -15.355 -4.542 444 H ASP 91 HN ASP 91 1.976 -13.650 -1.474 445 HA ASP 91 HA ASP 91 -0.481 -13.061 -2.669 446 HB2 ASP 91 HB2 ASP 91 0.543 -13.084 0.194 447 HB3 ASP 91 HB3 ASP 91 -1.099 -12.586 -0.158 448 HD2 ASP 91 HD2 ASP 91 -2.517 -14.412 0.025 449 H ALA 92 HN ALA 92 2.259 -11.151 -1.943 450 HA ALA 92 HA ALA 92 0.810 -8.769 -1.186 451 HB1 ALA 92 HB1 ALA 92 2.812 -8.202 -0.338 452 HB2 ALA 92 HB2 ALA 92 3.434 -9.780 -0.875 453 HB3 ALA 92 HB3 ALA 92 3.582 -8.358 -1.935 454 H LEU 93 HN LEU 93 2.432 -10.220 -4.042 455 HA LEU 93 HA LEU 93 2.358 -7.933 -5.646 456 HB2 LEU 93 HB2 LEU 93 2.387 -10.877 -6.311 457 HB3 LEU 93 HB3 LEU 93 2.534 -9.609 -7.512 458 HG LEU 93 HG LEU 93 4.438 -9.906 -5.178 459 HD11 LEU 93 HD1 LEU 93 5.921 -11.155 -6.496 460 HD11 LEU 93 HD1 LEU 93 4.332 -11.912 -6.761 461 HD11 LEU 93 HD1 LEU 93 5.016 -10.824 -7.993 462 HD22 LEU 93 HD2 LEU 93 4.797 -8.428 -7.796 463 HD22 LEU 93 HD2 LEU 93 4.265 -7.667 -6.277 464 HD22 LEU 93 HD2 LEU 93 5.876 -8.417 -6.380 465 H LYS 94 HN LYS 94 -0.169 -9.872 -4.355 466 HA LYS 94 HA LYS 94 -1.972 -9.338 -6.556 467 HB2 LYS 94 HB2 LYS 94 -2.134 -11.504 -5.535 468 HB3 LYS 94 HB3 LYS 94 -2.266 -10.815 -3.929 469 HG2 LYS 94 HG2 LYS 94 -4.314 -9.625 -5.591 470 HG3 LYS 94 HG3 LYS 94 -4.378 -11.363 -5.808 471 HD2 LYS 94 HD2 LYS 94 -4.012 -10.597 -2.978 472 HD3 LYS 94 HD3 LYS 94 -5.479 -9.928 -3.665 473 HE2 LYS 94 HE2 LYS 94 -4.878 -12.821 -4.253 474 HE3 LYS 94 HE3 LYS 94 -5.382 -12.423 -2.622 475 HZ1 LYS 94 HZ1 LYS 94 -7.477 -12.077 -3.338 476 HZ2 LYS 94 HZ2 LYS 94 -7.023 -11.131 -4.584 477 H ILE 95 HN ILE 95 -0.961 -7.972 -3.478 478 HA ILE 95 HA ILE 95 -3.334 -6.467 -3.049 479 HB ILE 95 HB ILE 95 -0.552 -6.047 -1.952 480 HG12 ILE 95 HG1 ILE 95 -1.445 -8.373 -1.635 481 HG13 ILE 95 HG1 ILE 95 -1.090 -7.502 -0.157 482 HG22 ILE 95 HG2 ILE 95 -2.874 -5.381 -0.287 483 HG22 ILE 95 HG2 ILE 95 -1.380 -4.467 -0.604 484 HG22 ILE 95 HG2 ILE 95 -2.732 -4.388 -1.758 485 HD11 ILE 95 HD1 ILE 95 -3.386 -8.800 -0.415 486 HD11 ILE 95 HD1 ILE 95 -3.351 -7.215 0.393 487 HD11 ILE 95 HD1 ILE 95 -3.883 -7.339 -1.301 488 H GLY 96 HN GLY 96 -0.021 -5.669 -4.305 489 HA2 GLY 96 HA1 GLY 96 -0.239 -3.039 -4.834 490 HA3 GLY 96 HA2 GLY 96 0.578 -4.172 -5.892 491 H GLU 97 HN GLU 97 -2.032 -5.678 -6.413 492 HA GLU 97 HA GLU 97 -2.726 -4.247 -8.704 493 HB2 GLU 97 HB2 GLU 97 -4.398 -6.443 -7.427 494 HB3 GLU 97 HB3 GLU 97 -4.280 -6.037 -9.128 495 HG2 GLU 97 HG2 GLU 97 -1.744 -6.607 -8.909 496 HG3 GLU 97 HG3 GLU 97 -2.161 -7.337 -7.372 497 HE2 GLU 97 HE2 GLU 97 -2.668 -8.130 -10.918 498 H TYR 98 HN TYR 98 -4.411 -4.865 -5.610 499 HA TYR 98 HA TYR 98 -6.818 -3.568 -6.057 500 HB2 TYR 98 HB2 TYR 98 -6.176 -4.844 -4.025 501 HB3 TYR 98 HB3 TYR 98 -5.136 -3.499 -3.530 502 HD1 TYR 98 HD1 TYR 98 -8.696 -4.119 -4.576 503 HD2 TYR 98 HD2 TYR 98 -5.993 -1.964 -2.025 504 HE1 TYR 98 HE1 TYR 98 -10.623 -3.049 -3.438 505 HE2 TYR 98 HE2 TYR 98 -7.919 -0.895 -0.887 506 HH TYR 98 HH TYR 98 -10.579 -0.397 -1.718 507 H VAL 99 HN VAL 99 -3.570 -2.142 -5.677 508 HA VAL 99 HA VAL 99 -4.789 0.498 -5.436 509 HB VAL 99 HB VAL 99 -1.958 -0.523 -5.173 510 HG11 VAL 99 HG1 VAL 99 -1.458 1.574 -5.931 511 HG11 VAL 99 HG1 VAL 99 -3.026 2.253 -5.432 512 HG11 VAL 99 HG1 VAL 99 -1.752 1.969 -4.221 513 HG22 VAL 99 HG2 VAL 99 -4.021 0.482 -3.197 514 HG22 VAL 99 HG2 VAL 99 -3.210 -1.101 -3.240 515 HG22 VAL 99 HG2 VAL 99 -2.289 0.359 -2.807 516 H VAL 100 HN VAL 100 -5.136 -1.097 -7.878 517 HA VAL 100 HA VAL 100 -4.004 0.846 -9.707 518 HB VAL 100 HB VAL 100 -3.512 -2.129 -9.914 519 HG11 VAL 100 HG1 VAL 100 -2.124 -0.921 -11.980 520 HG11 VAL 100 HG1 VAL 100 -3.650 -1.825 -12.133 521 HG11 VAL 100 HG1 VAL 100 -3.677 -0.052 -11.977 522 HG22 VAL 100 HG2 VAL 100 -1.134 -1.489 -9.922 523 HG22 VAL 100 HG2 VAL 100 -1.593 0.217 -9.707 524 HG22 VAL 100 HG2 VAL 100 -1.949 -0.969 -8.427 525 H ALA 101 HN ALA 101 -6.654 -0.114 -8.436 526 HA ALA 101 HA ALA 101 -8.020 -0.767 -10.955 527 HB1 ALA 101 HB1 ALA 101 -9.779 -1.724 -9.545 528 HB2 ALA 101 HB2 ALA 101 -8.207 -2.451 -9.131 529 HB3 ALA 101 HB3 ALA 101 -8.916 -1.204 -8.077 530 H SER 102 HN SER 102 -7.489 1.588 -8.426 531 HA SER 102 HA SER 102 -9.735 3.111 -9.498 532 HB2 SER 102 HB2 SER 102 -9.585 4.358 -7.239 533 HB3 SER 102 HB3 SER 102 -10.265 2.743 -7.220 534 HG SER 102 HG SER 102 -7.771 3.676 -6.212 535 H PHE 103 HN PHE 103 -6.403 3.274 -8.074 536 HA PHE 103 HA PHE 103 -5.898 5.543 -9.850 537 HB2 PHE 103 HB2 PHE 103 -4.358 6.080 -7.616 538 HB3 PHE 103 HB3 PHE 103 -5.951 6.768 -7.859 539 HD1 PHE 103 HD1 PHE 103 -4.686 3.438 -6.711 540 HD2 PHE 103 HD2 PHE 103 -7.196 6.770 -5.931 541 HE1 PHE 103 HE1 PHE 103 -5.482 2.344 -4.596 542 HE2 PHE 103 HE2 PHE 103 -7.991 5.676 -3.816 543 HZ PHE 103 HZ PHE 103 -7.125 3.476 -3.174 544 HA PRO 104 HA PRO 104 -2.812 2.220 -10.525 545 HB2 PRO 104 HB2 PRO 104 -2.796 3.648 -13.176 546 HB3 PRO 104 HB3 PRO 104 -2.946 1.903 -12.788 547 HG2 PRO 104 HG2 PRO 104 -5.310 3.288 -13.573 548 HG3 PRO 104 HG3 PRO 104 -5.057 2.027 -12.322 549 HD2 PRO 104 HD2 PRO 104 -5.009 5.093 -12.008 550 HD3 PRO 104 HD3 PRO 104 -6.097 3.931 -11.190 Start of MODEL 18 1 H ALA 25 HN ALA 25 -11.521 -6.981 -7.199 2 HA ALA 25 HA ALA 25 -12.270 -8.380 -5.193 3 HB1 ALA 25 HB1 ALA 25 -11.824 -9.153 -8.038 4 HB2 ALA 25 HB2 ALA 25 -12.191 -10.479 -6.909 5 HB3 ALA 25 HB3 ALA 25 -13.326 -9.119 -7.083 6 H GLY 26 HN GLY 26 -11.446 -9.545 -3.528 7 HA2 GLY 26 HA1 GLY 26 -10.180 -11.210 -2.564 8 HA3 GLY 26 HA2 GLY 26 -9.175 -11.306 -3.997 9 H GLY 27 HN GLY 27 -7.965 -9.036 -4.473 10 HA2 GLY 27 HA1 GLY 27 -6.096 -8.688 -2.431 11 HA3 GLY 27 HA2 GLY 27 -6.331 -7.642 -3.816 12 H GLY 28 HN GLY 28 -9.236 -7.123 -3.070 13 HA2 GLY 28 HA1 GLY 28 -8.776 -4.813 -1.472 14 HA3 GLY 28 HA2 GLY 28 -10.313 -5.421 -2.053 15 H GLU 29 HN GLU 29 -10.106 -8.113 -0.893 16 HA GLU 29 HA GLU 29 -11.196 -7.548 1.591 17 HB2 GLU 29 HB2 GLU 29 -11.669 -9.583 0.196 18 HB3 GLU 29 HB3 GLU 29 -10.071 -10.196 0.575 19 HG2 GLU 29 HG2 GLU 29 -11.668 -11.226 2.103 20 HG3 GLU 29 HG3 GLU 29 -10.650 -10.136 3.024 21 HE2 GLU 29 HE2 GLU 29 -13.631 -9.750 1.152 22 H LEU 30 HN LEU 30 -7.882 -8.082 0.514 23 HA LEU 30 HA LEU 30 -6.935 -8.648 3.180 24 HB2 LEU 30 HB2 LEU 30 -5.345 -8.094 0.677 25 HB3 LEU 30 HB3 LEU 30 -4.777 -8.840 2.158 26 HG LEU 30 HG LEU 30 -6.756 -10.018 0.190 27 HD11 LEU 30 HD1 LEU 30 -5.071 -11.156 -0.747 28 HD11 LEU 30 HD1 LEU 30 -4.027 -9.922 -0.002 29 HD11 LEU 30 HD1 LEU 30 -4.286 -11.481 0.817 30 HD22 LEU 30 HD2 LEU 30 -7.304 -10.588 2.545 31 HD22 LEU 30 HD2 LEU 30 -6.831 -11.994 1.561 32 HD22 LEU 30 HD2 LEU 30 -5.677 -11.289 2.719 33 H PHE 31 HN PHE 31 -6.881 -5.951 0.779 34 HA PHE 31 HA PHE 31 -5.373 -4.254 2.470 35 HB2 PHE 31 HB2 PHE 31 -5.427 -3.938 0.038 36 HB3 PHE 31 HB3 PHE 31 -7.179 -3.969 0.009 37 HD1 PHE 31 HD1 PHE 31 -4.348 -1.893 -0.036 38 HD2 PHE 31 HD2 PHE 31 -8.349 -2.038 1.370 39 HE1 PHE 31 HE1 PHE 31 -4.394 0.613 0.089 40 HE2 PHE 31 HE2 PHE 31 -8.396 0.469 1.495 41 HZ PHE 31 HZ PHE 31 -6.418 1.764 0.854 42 H ALA 32 HN ALA 32 -8.693 -5.266 2.422 43 HA ALA 32 HA ALA 32 -9.562 -2.844 3.800 44 HB1 ALA 32 HB1 ALA 32 -10.973 -5.228 2.562 45 HB2 ALA 32 HB2 ALA 32 -11.821 -4.052 3.595 46 HB3 ALA 32 HB3 ALA 32 -11.059 -3.517 2.078 47 H THR 33 HN THR 33 -7.608 -4.299 5.197 48 HA THR 33 HA THR 33 -8.932 -4.761 7.629 49 HB THR 33 HB THR 33 -8.370 -7.139 5.844 50 HG1 THR 33 HG1 THR 33 -10.553 -6.584 6.229 51 HG22 THR 33 HG2 THR 33 -6.962 -7.570 7.871 52 HG22 THR 33 HG2 THR 33 -8.350 -7.163 8.909 53 HG22 THR 33 HG2 THR 33 -8.411 -8.604 7.866 54 H HIS 34 HN HIS 34 -6.081 -5.317 5.532 55 HA HIS 34 HA HIS 34 -4.417 -5.012 7.911 56 HB2 HIS 34 HB2 HIS 34 -3.616 -5.911 5.131 57 HB3 HIS 34 HB3 HIS 34 -2.612 -5.927 6.566 58 HD1 HIS 34 HD1 HIS 34 -3.314 -7.679 8.490 59 HD2 HIS 34 HD2 HIS 34 -5.242 -8.135 4.792 60 HE1 HIS 34 HE1 HIS 34 -4.352 -10.010 8.508 61 H CYS 35 HN CYS 35 -5.889 -3.161 5.547 62 HA CYS 35 HA CYS 35 -3.780 -1.155 5.795 63 HB2 CYS 35 HB2 CYS 35 -5.349 -1.457 3.246 64 HB3 CYS 35 HB3 CYS 35 -3.904 -0.510 3.540 65 H ALA 36 HN ALA 36 -7.207 -1.968 4.925 66 HA ALA 36 HA ALA 36 -8.401 0.419 4.884 67 HB1 ALA 36 HB1 ALA 36 -9.127 -2.316 5.669 68 HB2 ALA 36 HB2 ALA 36 -10.129 -1.081 6.468 69 HB3 ALA 36 HB3 ALA 36 -10.029 -1.133 4.692 70 H GLY 37 HN GLY 37 -6.981 -1.196 7.732 71 HA2 GLY 37 HA1 GLY 37 -8.089 0.707 9.599 72 HA3 GLY 37 HA2 GLY 37 -6.945 -0.579 9.925 73 H CYS 38 HN CYS 38 -6.818 2.185 7.571 74 HA CYS 38 HA CYS 38 -5.232 3.881 8.944 75 HB2 CYS 38 HB2 CYS 38 -3.700 1.511 8.238 76 HB3 CYS 38 HB3 CYS 38 -3.025 2.939 7.480 77 H HIS 39 HN HIS 39 -5.949 2.119 5.931 78 HA HIS 39 HA HIS 39 -5.643 4.652 4.487 79 HB2 HIS 39 HB2 HIS 39 -5.142 1.807 3.608 80 HB3 HIS 39 HB3 HIS 39 -5.421 3.093 2.451 81 HD1 HIS 39 HD1 HIS 39 -3.719 5.341 3.063 82 HD2 HIS 39 HD2 HIS 39 -2.483 1.457 4.055 83 HE1 HIS 39 HE1 HIS 39 -1.182 5.442 3.323 84 HA PRO 40 HA PRO 40 -10.098 3.274 4.648 85 HB2 PRO 40 HB2 PRO 40 -11.126 5.404 5.965 86 HB3 PRO 40 HB3 PRO 40 -10.255 4.107 6.846 87 HG2 PRO 40 HG2 PRO 40 -8.842 6.870 5.947 88 HG3 PRO 40 HG3 PRO 40 -9.115 5.988 7.485 89 HD2 PRO 40 HD2 PRO 40 -6.915 5.602 5.797 90 HD3 PRO 40 HD3 PRO 40 -7.561 4.337 6.887 91 H GLN 41 HN GLN 41 -11.211 3.691 2.740 92 HA GLN 41 HA GLN 41 -11.672 4.637 0.827 93 HB2 GLN 41 HB2 GLN 41 -12.737 6.179 2.832 94 HB3 GLN 41 HB3 GLN 41 -11.834 7.396 1.952 95 HG2 GLN 41 HG2 GLN 41 -13.340 7.401 0.250 96 HG3 GLN 41 HG3 GLN 41 -13.245 5.660 0.075 97 HE21 GLN 41 HE2 GLN 41 -14.754 8.307 1.823 98 HE21 GLN 41 HE2 GLN 41 -16.182 7.472 2.339 99 H GLY 42 HN GLY 42 -9.015 4.231 0.822 100 HA2 GLY 42 HA1 GLY 42 -7.039 4.900 -0.019 101 HA3 GLY 42 HA2 GLY 42 -7.980 5.964 -1.046 102 H GLY 43 HN GLY 43 -8.326 6.416 2.422 103 HA2 GLY 43 HA1 GLY 43 -6.839 8.945 2.194 104 HA3 GLY 43 HA2 GLY 43 -8.097 8.568 3.354 105 H ASN 44 HN ASN 44 -6.574 9.309 5.040 106 HA ASN 44 HA ASN 44 -5.059 7.080 5.986 107 HB2 ASN 44 HB2 ASN 44 -3.752 9.317 4.655 108 HB3 ASN 44 HB3 ASN 44 -3.312 9.342 6.351 109 HD21 ASN 44 HD2 ASN 44 -1.541 8.828 4.250 110 HD21 ASN 44 HD2 ASN 44 -0.938 7.209 4.377 111 H THR 45 HN THR 45 -4.607 7.337 8.330 112 HA THR 45 HA THR 45 -6.056 9.613 9.518 113 HB THR 45 HB THR 45 -6.572 7.979 11.368 114 HG1 THR 45 HG1 THR 45 -5.526 6.057 9.433 115 HG22 THR 45 HG2 THR 45 -7.251 6.758 8.645 116 HG22 THR 45 HG2 THR 45 -8.157 6.564 10.165 117 HG22 THR 45 HG2 THR 45 -8.134 8.140 9.337 118 H VAL 46 HN VAL 46 -3.020 8.583 8.799 119 HA VAL 46 HA VAL 46 -1.964 9.488 11.385 120 HB VAL 46 HB VAL 46 -0.687 7.826 9.204 121 HG11 VAL 46 HG1 VAL 46 0.368 8.805 11.872 122 HG11 VAL 46 HG1 VAL 46 1.107 7.474 10.950 123 HG11 VAL 46 HG1 VAL 46 1.035 9.109 10.250 124 HG22 VAL 46 HG2 VAL 46 -1.169 6.791 11.967 125 HG22 VAL 46 HG2 VAL 46 -2.559 6.900 10.861 126 HG22 VAL 46 HG2 VAL 46 -1.136 5.930 10.409 127 H HIS 47 HN HIS 47 -1.264 9.585 7.816 128 HA HIS 47 HA HIS 47 -0.312 12.320 8.272 129 HB2 HIS 47 HB2 HIS 47 0.677 10.194 6.363 130 HB3 HIS 47 HB3 HIS 47 1.080 11.889 6.179 131 HD1 HIS 47 HD1 HIS 47 3.527 10.436 6.546 132 HD2 HIS 47 HD2 HIS 47 1.159 11.373 9.879 133 HE1 HIS 47 HE1 HIS 47 5.064 10.293 8.578 134 HA PRO 48 HA PRO 48 -3.715 13.177 5.537 135 HB2 PRO 48 HB2 PRO 48 -4.064 15.751 6.199 136 HB3 PRO 48 HB3 PRO 48 -4.336 14.472 7.427 137 HG2 PRO 48 HG2 PRO 48 -1.786 16.122 7.010 138 HG3 PRO 48 HG3 PRO 48 -2.631 15.825 8.564 139 HD2 PRO 48 HD2 PRO 48 -0.446 14.346 7.651 140 HD3 PRO 48 HD3 PRO 48 -1.704 13.675 8.733 141 H GLU 49 HN GLU 49 -0.491 13.570 5.073 142 HA GLU 49 HA GLU 49 -0.970 15.340 2.803 143 HB2 GLU 49 HB2 GLU 49 1.684 15.089 4.273 144 HB3 GLU 49 HB3 GLU 49 1.259 16.262 3.043 145 HG2 GLU 49 HG2 GLU 49 -0.591 16.240 5.372 146 HG3 GLU 49 HG3 GLU 49 1.056 16.679 5.780 147 HE2 GLU 49 HE2 GLU 49 -0.851 19.636 4.639 148 H LYS 50 HN LYS 50 -0.429 12.204 3.785 149 HA LYS 50 HA LYS 50 0.968 11.595 1.276 150 HB2 LYS 50 HB2 LYS 50 1.320 10.035 3.845 151 HB3 LYS 50 HB3 LYS 50 2.204 9.847 2.345 152 HG2 LYS 50 HG2 LYS 50 2.317 12.618 3.349 153 HG3 LYS 50 HG3 LYS 50 2.942 11.472 4.518 154 HD2 LYS 50 HD2 LYS 50 4.831 12.040 3.180 155 HD3 LYS 50 HD3 LYS 50 4.338 10.465 2.589 156 HE2 LYS 50 HE2 LYS 50 2.869 12.528 1.153 157 HE3 LYS 50 HE3 LYS 50 4.582 12.894 1.095 158 HZ1 LYS 50 HZ1 LYS 50 3.463 10.232 0.401 159 HZ2 LYS 50 HZ2 LYS 50 3.834 11.371 -0.702 160 H THR 51 HN THR 51 -1.051 11.318 0.202 161 HA THR 51 HA THR 51 -2.729 9.163 1.282 162 HB THR 51 HB THR 51 -4.465 10.149 -0.172 163 HG1 THR 51 HG1 THR 51 -3.788 11.696 -1.707 164 HG22 THR 51 HG2 THR 51 -4.406 11.448 1.843 165 HG22 THR 51 HG2 THR 51 -2.818 12.144 1.440 166 HG22 THR 51 HG2 THR 51 -4.268 12.661 0.547 167 H LEU 52 HN LEU 52 -3.969 8.215 -0.958 168 HA LEU 52 HA LEU 52 -1.736 6.824 -2.212 169 HB2 LEU 52 HB2 LEU 52 -4.691 6.208 -2.082 170 HB3 LEU 52 HB3 LEU 52 -3.507 5.240 -2.939 171 HG LEU 52 HG LEU 52 -3.625 5.725 0.049 172 HD11 LEU 52 HD1 LEU 52 -5.082 3.957 -1.473 173 HD11 LEU 52 HD1 LEU 52 -3.695 2.971 -0.950 174 HD11 LEU 52 HD1 LEU 52 -4.715 3.786 0.260 175 HD22 LEU 52 HD2 LEU 52 -1.393 4.951 -1.629 176 HD22 LEU 52 HD2 LEU 52 -1.444 5.311 0.113 177 HD22 LEU 52 HD2 LEU 52 -1.804 3.667 -0.466 178 H ALA 53 HN ALA 53 -2.738 9.682 -2.798 179 HA ALA 53 HA ALA 53 -3.895 9.465 -5.409 180 HB1 ALA 53 HB1 ALA 53 -2.865 11.701 -3.648 181 HB2 ALA 53 HB2 ALA 53 -3.327 12.000 -5.340 182 HB3 ALA 53 HB3 ALA 53 -4.530 11.377 -4.186 183 H ARG 54 HN ARG 54 -2.861 9.394 -7.366 184 HA ARG 54 HA ARG 54 -0.281 8.601 -7.516 185 HB2 ARG 54 HB2 ARG 54 -2.005 8.462 -9.353 186 HB3 ARG 54 HB3 ARG 54 -1.829 10.183 -9.632 187 HG2 ARG 54 HG2 ARG 54 0.813 9.325 -9.733 188 HG3 ARG 54 HG3 ARG 54 -0.032 7.950 -10.415 189 HD2 ARG 54 HD2 ARG 54 -0.771 9.139 -12.277 190 HD3 ARG 54 HD3 ARG 54 -0.889 10.654 -11.403 191 HE ARG 54 HE ARG 54 1.855 10.045 -11.460 192 H ALA 55 HN ALA 55 -1.635 11.937 -8.016 193 HA ALA 55 HA ALA 55 0.518 13.333 -8.768 194 HB1 ALA 55 HB1 ALA 55 -1.134 14.839 -8.474 195 HB2 ALA 55 HB2 ALA 55 -1.928 13.833 -7.238 196 HB3 ALA 55 HB3 ALA 55 -0.610 14.937 -6.775 197 H ARG 56 HN ARG 56 -0.112 11.971 -5.507 198 HA ARG 56 HA ARG 56 2.308 13.181 -4.548 199 HB2 ARG 56 HB2 ARG 56 -0.077 11.852 -3.365 200 HB3 ARG 56 HB3 ARG 56 1.420 11.451 -2.546 201 HG2 ARG 56 HG2 ARG 56 0.675 13.410 -1.428 202 HG3 ARG 56 HG3 ARG 56 1.911 14.001 -2.521 203 HD2 ARG 56 HD2 ARG 56 0.340 14.972 -3.999 204 HD3 ARG 56 HD3 ARG 56 -0.958 13.914 -3.484 205 HE ARG 56 HE ARG 56 -0.243 16.449 -2.289 206 H ARG 57 HN ARG 57 0.885 9.882 -5.079 207 HA ARG 57 HA ARG 57 3.022 8.434 -4.210 208 HB2 ARG 57 HB2 ARG 57 0.633 7.992 -5.866 209 HB3 ARG 57 HB3 ARG 57 1.966 6.998 -6.420 210 HG2 ARG 57 HG2 ARG 57 2.147 6.703 -3.660 211 HG3 ARG 57 HG3 ARG 57 0.415 6.838 -3.891 212 HD2 ARG 57 HD2 ARG 57 2.182 4.918 -5.482 213 HD3 ARG 57 HD3 ARG 57 1.322 4.459 -4.026 214 HE ARG 57 HE ARG 57 0.121 5.063 -6.662 215 H GLU 58 HN GLU 58 2.768 10.530 -6.952 216 HA GLU 58 HA GLU 58 4.666 9.126 -8.548 217 HB2 GLU 58 HB2 GLU 58 4.111 10.626 -10.198 218 HB3 GLU 58 HB3 GLU 58 2.710 10.876 -9.175 219 HG2 GLU 58 HG2 GLU 58 3.820 12.809 -8.080 220 HG3 GLU 58 HG3 GLU 58 5.271 12.536 -9.024 221 HE2 GLU 58 HE2 GLU 58 5.320 14.025 -10.494 222 H ALA 59 HN ALA 59 4.607 12.125 -6.515 223 HA ALA 59 HA ALA 59 7.124 13.051 -6.975 224 HB1 ALA 59 HB1 ALA 59 5.673 14.344 -5.634 225 HB2 ALA 59 HB2 ALA 59 5.353 12.995 -4.519 226 HB3 ALA 59 HB3 ALA 59 6.936 13.807 -4.501 227 H ASN 60 HN ASN 60 6.087 10.453 -4.677 228 HA ASN 60 HA ASN 60 8.742 10.032 -3.812 229 HB2 ASN 60 HB2 ASN 60 6.087 8.596 -3.457 230 HB3 ASN 60 HB3 ASN 60 7.561 7.799 -2.946 231 HD21 ASN 60 HD2 ASN 60 6.468 11.189 -2.899 232 HD21 ASN 60 HD2 ASN 60 6.679 11.466 -1.202 233 H GLY 61 HN GLY 61 6.575 8.830 -6.361 234 HA2 GLY 61 HA1 GLY 61 7.188 7.708 -8.262 235 HA3 GLY 61 HA2 GLY 61 8.756 7.345 -7.568 236 H ILE 62 HN ILE 62 5.234 6.566 -7.156 237 HA ILE 62 HA ILE 62 6.052 3.796 -6.678 238 HB ILE 62 HB ILE 62 4.074 5.395 -5.052 239 HG12 ILE 62 HG1 ILE 62 6.814 4.277 -4.524 240 HG13 ILE 62 HG1 ILE 62 6.183 5.876 -4.185 241 HG22 ILE 62 HG2 ILE 62 3.825 2.727 -5.756 242 HG22 ILE 62 HG2 ILE 62 4.608 2.671 -4.159 243 HG22 ILE 62 HG2 ILE 62 3.065 3.533 -4.363 244 HD11 ILE 62 HD1 ILE 62 5.897 5.114 -2.057 245 HD11 ILE 62 HD1 ILE 62 4.472 4.263 -2.701 246 HD11 ILE 62 HD1 ILE 62 6.029 3.412 -2.560 247 H ARG 63 HN ARG 63 5.553 4.271 -9.172 248 HA ARG 63 HA ARG 63 2.689 3.905 -9.514 249 HB2 ARG 63 HB2 ARG 63 4.567 4.478 -11.821 250 HB3 ARG 63 HB3 ARG 63 2.874 4.899 -11.657 251 HG2 ARG 63 HG2 ARG 63 3.595 6.976 -11.066 252 HG3 ARG 63 HG3 ARG 63 4.017 6.269 -9.519 253 HD2 ARG 63 HD2 ARG 63 6.148 6.953 -9.983 254 HD3 ARG 63 HD3 ARG 63 6.220 5.569 -11.055 255 HE ARG 63 HE ARG 63 4.996 7.632 -12.541 256 H THR 64 HN THR 64 3.596 1.606 -8.636 257 HA THR 64 HA THR 64 3.541 -0.127 -10.910 258 HB THR 64 HB THR 64 5.796 -1.216 -10.065 259 HG1 THR 64 HG1 THR 64 5.575 0.565 -8.257 260 HG22 THR 64 HG2 THR 64 5.357 0.347 -12.210 261 HG22 THR 64 HG2 THR 64 6.290 1.522 -11.252 262 HG22 THR 64 HG2 THR 64 7.016 -0.042 -11.695 263 H VAL 65 HN VAL 65 3.557 -2.473 -10.201 264 HA VAL 65 HA VAL 65 1.874 -2.633 -7.876 265 HB VAL 65 HB VAL 65 2.787 -4.528 -10.027 266 HG11 VAL 65 HG1 VAL 65 1.435 -6.300 -9.003 267 HG11 VAL 65 HG1 VAL 65 2.764 -5.807 -7.926 268 HG11 VAL 65 HG1 VAL 65 1.104 -5.252 -7.603 269 HG22 VAL 65 HG2 VAL 65 0.901 -2.784 -10.300 270 HG22 VAL 65 HG2 VAL 65 0.568 -4.465 -10.779 271 HG22 VAL 65 HG2 VAL 65 -0.043 -3.845 -9.227 272 H ARG 66 HN ARG 66 5.044 -4.038 -8.958 273 HA ARG 66 HA ARG 66 5.650 -5.512 -6.840 274 HB2 ARG 66 HB2 ARG 66 7.392 -3.662 -8.515 275 HB3 ARG 66 HB3 ARG 66 8.108 -4.648 -7.256 276 HG2 ARG 66 HG2 ARG 66 6.689 -6.596 -8.450 277 HG3 ARG 66 HG3 ARG 66 6.783 -5.514 -9.826 278 HD2 ARG 66 HD2 ARG 66 9.186 -5.579 -9.862 279 HD3 ARG 66 HD3 ARG 66 9.278 -6.241 -8.241 280 HE ARG 66 HE ARG 66 8.651 -7.729 -10.716 281 H ASP 67 HN ASP 67 6.775 -2.053 -7.142 282 HA ASP 67 HA ASP 67 7.830 -1.596 -4.813 283 HB2 ASP 67 HB2 ASP 67 5.836 0.064 -6.378 284 HB3 ASP 67 HB3 ASP 67 6.453 0.685 -4.860 285 HD2 ASP 67 HD2 ASP 67 6.994 1.960 -7.269 286 H VAL 68 HN VAL 68 4.264 -1.754 -5.452 287 HA VAL 68 HA VAL 68 3.651 -1.353 -2.664 288 HB VAL 68 HB VAL 68 1.868 -2.076 -4.997 289 HG11 VAL 68 HG1 VAL 68 1.109 -2.377 -2.515 290 HG11 VAL 68 HG1 VAL 68 1.002 -0.600 -2.520 291 HG11 VAL 68 HG1 VAL 68 0.034 -1.554 -3.670 292 HG22 VAL 68 HG2 VAL 68 1.455 0.604 -4.387 293 HG22 VAL 68 HG2 VAL 68 3.223 0.420 -4.307 294 HG22 VAL 68 HG2 VAL 68 2.347 -0.036 -5.788 295 H ALA 69 HN ALA 69 5.360 -3.431 -2.657 296 HA ALA 69 HA ALA 69 3.745 -5.530 -1.643 297 HB1 ALA 69 HB1 ALA 69 3.549 -6.832 -3.461 298 HB2 ALA 69 HB2 ALA 69 4.420 -5.626 -4.438 299 HB3 ALA 69 HB3 ALA 69 5.324 -6.902 -3.588 300 H ALA 70 HN ALA 70 6.933 -4.412 -2.905 301 HA ALA 70 HA ALA 70 8.372 -6.128 -1.118 302 HB1 ALA 70 HB1 ALA 70 10.112 -4.163 -2.049 303 HB2 ALA 70 HB2 ALA 70 9.804 -5.739 -2.818 304 HB3 ALA 70 HB3 ALA 70 8.905 -4.298 -3.351 305 H TYR 71 HN TYR 71 8.186 -2.563 -1.492 306 HA TYR 71 HA TYR 71 9.380 -1.748 0.834 307 HB2 TYR 71 HB2 TYR 71 7.344 -0.700 -0.999 308 HB3 TYR 71 HB3 TYR 71 7.187 -0.056 0.645 309 HD1 TYR 71 HD1 TYR 71 10.028 -0.868 -1.692 310 HD2 TYR 71 HD2 TYR 71 8.214 1.984 0.959 311 HE1 TYR 71 HE1 TYR 71 11.876 0.724 -2.141 312 HE2 TYR 71 HE2 TYR 71 10.062 3.576 0.510 313 HH TYR 71 HH TYR 71 11.954 3.995 -0.708 314 H ILE 72 HN ILE 72 5.806 -2.491 0.518 315 HA ILE 72 HA ILE 72 5.027 -2.051 3.040 316 HB ILE 72 HB ILE 72 3.414 -3.914 2.720 317 HG12 ILE 72 HG1 ILE 72 4.462 -4.378 -0.039 318 HG13 ILE 72 HG1 ILE 72 5.282 -5.181 1.286 319 HG22 ILE 72 HG2 ILE 72 3.072 -1.607 1.843 320 HG22 ILE 72 HG2 ILE 72 3.734 -2.146 0.282 321 HG22 ILE 72 HG2 ILE 72 2.234 -2.869 0.909 322 HD11 ILE 72 HD1 ILE 72 2.639 -5.732 0.125 323 HD11 ILE 72 HD1 ILE 72 3.658 -6.763 1.159 324 HD11 ILE 72 HD1 ILE 72 2.572 -5.560 1.896 325 H ARG 73 HN ARG 73 7.074 -4.745 1.881 326 HA ARG 73 HA ARG 73 6.913 -6.312 4.122 327 HB2 ARG 73 HB2 ARG 73 8.089 -6.709 1.805 328 HB3 ARG 73 HB3 ARG 73 9.489 -5.950 2.536 329 HG2 ARG 73 HG2 ARG 73 9.966 -7.784 3.813 330 HG3 ARG 73 HG3 ARG 73 8.294 -8.002 4.289 331 HD2 ARG 73 HD2 ARG 73 7.950 -9.608 2.705 332 HD3 ARG 73 HD3 ARG 73 8.665 -8.626 1.442 333 HE ARG 73 HE ARG 73 10.599 -9.809 3.329 334 H ASN 74 HN ASN 74 9.528 -3.927 3.232 335 HA ASN 74 HA ASN 74 9.894 -3.528 6.095 336 HB2 ASN 74 HB2 ASN 74 11.753 -4.857 4.733 337 HB3 ASN 74 HB3 ASN 74 12.189 -3.277 4.113 338 HD21 ASN 74 HD2 ASN 74 12.231 -1.526 5.906 339 HD21 ASN 74 HD2 ASN 74 13.130 -1.921 7.332 340 HA PRO 75 HA PRO 75 9.146 0.457 3.820 341 HB2 PRO 75 HB2 PRO 75 6.943 1.260 5.221 342 HB3 PRO 75 HB3 PRO 75 6.844 0.050 3.900 343 HG2 PRO 75 HG2 PRO 75 6.897 -0.321 6.781 344 HG3 PRO 75 HG3 PRO 75 5.880 -1.227 5.614 345 HD2 PRO 75 HD2 PRO 75 8.250 -2.194 6.753 346 HD3 PRO 75 HD3 PRO 75 7.624 -2.726 5.163 347 H GLY 76 HN GLY 76 8.901 2.775 4.956 348 HA2 GLY 76 HA1 GLY 76 10.904 2.816 7.051 349 HA3 GLY 76 HA2 GLY 76 10.215 4.181 6.195 350 HA PRO 77 HA PRO 77 8.554 4.039 10.567 351 HB2 PRO 77 HB2 PRO 77 8.911 6.777 10.913 352 HB3 PRO 77 HB3 PRO 77 10.160 5.540 11.270 353 HG2 PRO 77 HG2 PRO 77 9.735 7.137 8.935 354 HG3 PRO 77 HG3 PRO 77 11.371 6.965 9.650 355 HD2 PRO 77 HD2 PRO 77 10.805 5.510 7.510 356 HD3 PRO 77 HD3 PRO 77 11.472 4.638 8.924 357 H GLY 78 HN GLY 78 6.465 4.950 11.277 358 HA2 GLY 78 HA1 GLY 78 4.580 6.279 10.943 359 HA3 GLY 78 HA2 GLY 78 5.048 6.558 9.277 360 H MET 79 HN MET 79 5.675 3.718 8.672 361 HA MET 79 HA MET 79 2.950 2.676 8.786 362 HB2 MET 79 HB2 MET 79 4.047 3.553 6.509 363 HB3 MET 79 HB3 MET 79 4.920 2.034 6.553 364 HG2 MET 79 HG2 MET 79 2.913 0.733 6.409 365 HG3 MET 79 HG3 MET 79 1.898 2.079 6.887 366 HE1 MET 79 HE1 MET 79 3.818 0.234 4.463 367 HE2 MET 79 HE2 MET 79 2.239 0.095 3.653 368 HE3 MET 79 HE3 MET 79 3.570 0.973 2.863 369 HA PRO 80 HA PRO 80 4.614 -0.751 10.989 370 HB2 PRO 80 HB2 PRO 80 2.345 -2.204 9.628 371 HB3 PRO 80 HB3 PRO 80 2.754 -2.040 11.367 372 HG2 PRO 80 HG2 PRO 80 0.678 -0.621 10.273 373 HG3 PRO 80 HG3 PRO 80 1.819 -0.162 11.578 374 HD2 PRO 80 HD2 PRO 80 1.777 0.628 8.627 375 HD3 PRO 80 HD3 PRO 80 2.103 1.648 10.061 376 H ALA 81 HN ALA 81 3.975 -3.467 9.726 377 HA ALA 81 HA ALA 81 5.361 -3.363 7.205 378 HB1 ALA 81 HB1 ALA 81 7.407 -4.083 7.862 379 HB2 ALA 81 HB2 ALA 81 6.942 -3.462 9.464 380 HB3 ALA 81 HB3 ALA 81 6.729 -5.187 9.082 381 H PHE 82 HN PHE 82 5.496 -5.619 6.244 382 HA PHE 82 HA PHE 82 3.660 -7.487 7.512 383 HB2 PHE 82 HB2 PHE 82 3.506 -6.430 4.625 384 HB3 PHE 82 HB3 PHE 82 2.464 -7.675 5.284 385 HD1 PHE 82 HD1 PHE 82 0.660 -7.111 6.810 386 HD2 PHE 82 HD2 PHE 82 3.201 -4.093 5.246 387 HE1 PHE 82 HE1 PHE 82 -0.971 -5.353 7.551 388 HE2 PHE 82 HE2 PHE 82 1.570 -2.335 5.988 389 HZ PHE 82 HZ PHE 82 -0.497 -2.986 7.131 390 H GLY 83 HN GLY 83 5.002 -9.232 7.743 391 HA2 GLY 83 HA1 GLY 83 6.891 -9.839 5.582 392 HA3 GLY 83 HA2 GLY 83 6.904 -10.481 7.213 393 H GLU 84 HN GLU 84 7.192 -12.552 5.834 394 HA GLU 84 HA GLU 84 4.844 -13.452 4.511 395 HB2 GLU 84 HB2 GLU 84 6.124 -15.508 4.115 396 HB3 GLU 84 HB3 GLU 84 7.120 -14.109 3.766 397 HG2 GLU 84 HG2 GLU 84 8.071 -14.295 6.130 398 HG3 GLU 84 HG3 GLU 84 7.193 -15.801 6.306 399 HE2 GLU 84 HE2 GLU 84 9.313 -17.671 4.542 400 H ALA 85 HN ALA 85 5.375 -12.920 7.691 401 HA ALA 85 HA ALA 85 4.756 -15.378 8.904 402 HB1 ALA 85 HB1 ALA 85 3.930 -12.776 10.142 403 HB2 ALA 85 HB2 ALA 85 4.805 -14.153 10.855 404 HB3 ALA 85 HB3 ALA 85 5.658 -13.013 9.787 405 H MET 86 HN MET 86 2.777 -12.655 7.628 406 HA MET 86 HA MET 86 0.446 -14.344 8.121 407 HB2 MET 86 HB2 MET 86 0.696 -12.027 9.325 408 HB3 MET 86 HB3 MET 86 0.440 -11.306 7.749 409 HG2 MET 86 HG2 MET 86 -1.780 -12.226 7.564 410 HG3 MET 86 HG3 MET 86 -1.510 -13.356 8.875 411 HE1 MET 86 HE1 MET 86 -1.456 -11.148 12.030 412 HE2 MET 86 HE2 MET 86 -1.827 -12.779 11.420 413 HE3 MET 86 HE3 MET 86 -0.227 -12.060 11.122 414 H ILE 87 HN ILE 87 1.788 -11.759 5.944 415 HA ILE 87 HA ILE 87 0.295 -13.041 3.761 416 HB ILE 87 HB ILE 87 1.076 -10.137 4.045 417 HG12 ILE 87 HG1 ILE 87 -1.430 -11.638 4.716 418 HG13 ILE 87 HG1 ILE 87 -0.633 -10.345 5.589 419 HG22 ILE 87 HG2 ILE 87 0.099 -9.718 1.997 420 HG22 ILE 87 HG2 ILE 87 0.894 -11.285 1.710 421 HG22 ILE 87 HG2 ILE 87 -0.858 -11.219 2.020 422 HD11 ILE 87 HD1 ILE 87 -2.480 -10.183 3.218 423 HD11 ILE 87 HD1 ILE 87 -2.418 -9.166 4.677 424 HD11 ILE 87 HD1 ILE 87 -1.218 -8.939 3.382 425 HA PRO 88 HA PRO 88 4.395 -14.018 2.397 426 HB2 PRO 88 HB2 PRO 88 3.638 -15.528 0.258 427 HB3 PRO 88 HB3 PRO 88 3.395 -16.088 1.944 428 HG2 PRO 88 HG2 PRO 88 1.748 -14.726 0.218 429 HG3 PRO 88 HG3 PRO 88 0.998 -16.161 0.990 430 HD2 PRO 88 HD2 PRO 88 0.337 -13.828 1.990 431 HD3 PRO 88 HD3 PRO 88 1.010 -15.002 3.162 432 HA PRO 89 HA PRO 89 5.316 -10.656 -0.291 433 HB2 PRO 89 HB2 PRO 89 7.052 -12.745 -1.651 434 HB3 PRO 89 HB3 PRO 89 7.438 -11.080 -1.106 435 HG2 PRO 89 HG2 PRO 89 8.178 -13.301 0.421 436 HG3 PRO 89 HG3 PRO 89 7.710 -11.629 0.872 437 HD2 PRO 89 HD2 PRO 89 6.174 -14.235 1.101 438 HD3 PRO 89 HD3 PRO 89 6.117 -12.789 2.154 439 H ALA 90 HN ALA 90 4.856 -13.959 -1.797 440 HA ALA 90 HA ALA 90 4.189 -13.017 -4.319 441 HB1 ALA 90 HB1 ALA 90 3.659 -15.524 -2.729 442 HB2 ALA 90 HB2 ALA 90 2.881 -15.305 -4.315 443 HB3 ALA 90 HB3 ALA 90 4.656 -15.298 -4.186 444 H ASP 91 HN ASP 91 2.188 -13.582 -1.371 445 HA ASP 91 HA ASP 91 -0.230 -13.063 -2.663 446 HB2 ASP 91 HB2 ASP 91 0.695 -13.025 0.231 447 HB3 ASP 91 HB3 ASP 91 -0.939 -12.540 -0.177 448 HD2 ASP 91 HD2 ASP 91 -1.986 -15.761 -0.043 449 H ALA 92 HN ALA 92 2.438 -11.078 -1.842 450 HA ALA 92 HA ALA 92 0.925 -8.718 -1.176 451 HB1 ALA 92 HB1 ALA 92 3.779 -8.487 -1.947 452 HB2 ALA 92 HB2 ALA 92 2.936 -7.911 -0.489 453 HB3 ALA 92 HB3 ALA 92 3.452 -9.610 -0.605 454 H LEU 93 HN LEU 93 2.562 -10.202 -3.998 455 HA LEU 93 HA LEU 93 2.480 -7.937 -5.640 456 HB2 LEU 93 HB2 LEU 93 2.563 -10.893 -6.238 457 HB3 LEU 93 HB3 LEU 93 2.670 -9.657 -7.476 458 HG LEU 93 HG LEU 93 4.598 -9.835 -5.149 459 HD11 LEU 93 HD1 LEU 93 4.624 -11.225 -7.812 460 HD11 LEU 93 HD1 LEU 93 6.150 -10.746 -7.031 461 HD11 LEU 93 HD1 LEU 93 5.032 -11.850 -6.196 462 HD22 LEU 93 HD2 LEU 93 5.870 -8.640 -7.291 463 HD22 LEU 93 HD2 LEU 93 4.218 -7.983 -7.376 464 HD22 LEU 93 HD2 LEU 93 5.169 -7.808 -5.882 465 H LYS 94 HN LYS 94 -0.033 -9.855 -4.311 466 HA LYS 94 HA LYS 94 -1.831 -9.408 -6.535 467 HB2 LYS 94 HB2 LYS 94 -1.998 -11.539 -5.463 468 HB3 LYS 94 HB3 LYS 94 -2.103 -10.816 -3.870 469 HG2 LYS 94 HG2 LYS 94 -4.188 -9.608 -5.390 470 HG3 LYS 94 HG3 LYS 94 -4.233 -11.309 -5.807 471 HD2 LYS 94 HD2 LYS 94 -3.858 -10.812 -2.903 472 HD3 LYS 94 HD3 LYS 94 -5.368 -10.182 -3.530 473 HE2 LYS 94 HE2 LYS 94 -4.570 -12.972 -4.354 474 HE3 LYS 94 HE3 LYS 94 -5.127 -12.739 -2.709 475 HZ1 LYS 94 HZ1 LYS 94 -6.929 -13.232 -4.358 476 HZ2 LYS 94 HZ2 LYS 94 -7.191 -11.858 -3.524 477 H ILE 95 HN ILE 95 -0.958 -8.042 -3.378 478 HA ILE 95 HA ILE 95 -3.309 -6.503 -3.076 479 HB ILE 95 HB ILE 95 -0.557 -6.088 -1.904 480 HG12 ILE 95 HG1 ILE 95 -1.492 -8.383 -1.549 481 HG13 ILE 95 HG1 ILE 95 -1.201 -7.474 -0.080 482 HG22 ILE 95 HG2 ILE 95 -1.441 -4.231 -1.058 483 HG22 ILE 95 HG2 ILE 95 -3.070 -4.649 -1.643 484 HG22 ILE 95 HG2 ILE 95 -2.497 -5.279 -0.080 485 HD11 ILE 95 HD1 ILE 95 -3.769 -8.397 -1.255 486 HD11 ILE 95 HD1 ILE 95 -3.343 -8.085 0.444 487 HD11 ILE 95 HD1 ILE 95 -3.798 -6.734 -0.622 488 H GLY 96 HN GLY 96 0.018 -5.769 -4.319 489 HA2 GLY 96 HA1 GLY 96 -0.153 -3.134 -4.870 490 HA3 GLY 96 HA2 GLY 96 0.653 -4.292 -5.910 491 H GLU 97 HN GLU 97 -1.968 -5.767 -6.438 492 HA GLU 97 HA GLU 97 -2.628 -4.351 -8.746 493 HB2 GLU 97 HB2 GLU 97 -4.343 -6.504 -7.455 494 HB3 GLU 97 HB3 GLU 97 -4.207 -6.122 -9.160 495 HG2 GLU 97 HG2 GLU 97 -1.678 -6.724 -8.906 496 HG3 GLU 97 HG3 GLU 97 -2.129 -7.442 -7.373 497 HE2 GLU 97 HE2 GLU 97 -1.447 -9.535 -8.924 498 H TYR 98 HN TYR 98 -4.322 -4.886 -5.644 499 HA TYR 98 HA TYR 98 -6.714 -3.563 -6.124 500 HB2 TYR 98 HB2 TYR 98 -6.046 -4.830 -4.068 501 HB3 TYR 98 HB3 TYR 98 -5.065 -3.438 -3.579 502 HD1 TYR 98 HD1 TYR 98 -8.579 -4.272 -4.619 503 HD2 TYR 98 HD2 TYR 98 -6.007 -1.844 -2.182 504 HE1 TYR 98 HE1 TYR 98 -10.565 -3.253 -3.539 505 HE2 TYR 98 HE2 TYR 98 -7.993 -0.825 -1.102 506 HH TYR 98 HH TYR 98 -10.670 -1.761 -0.778 507 H VAL 99 HN VAL 99 -3.444 -2.182 -5.701 508 HA VAL 99 HA VAL 99 -4.612 0.478 -5.495 509 HB VAL 99 HB VAL 99 -1.799 -0.600 -5.266 510 HG11 VAL 99 HG1 VAL 99 -1.113 1.445 -5.891 511 HG11 VAL 99 HG1 VAL 99 -2.749 2.135 -5.758 512 HG11 VAL 99 HG1 VAL 99 -1.724 1.989 -4.310 513 HG22 VAL 99 HG2 VAL 99 -3.965 0.070 -3.361 514 HG22 VAL 99 HG2 VAL 99 -2.603 -1.065 -3.204 515 HG22 VAL 99 HG2 VAL 99 -2.348 0.674 -2.924 516 H VAL 100 HN VAL 100 -4.962 -1.192 -7.928 517 HA VAL 100 HA VAL 100 -3.720 0.694 -9.783 518 HB VAL 100 HB VAL 100 -3.648 -2.321 -9.955 519 HG11 VAL 100 HG1 VAL 100 -4.100 -1.891 -12.158 520 HG11 VAL 100 HG1 VAL 100 -3.456 -0.233 -12.086 521 HG11 VAL 100 HG1 VAL 100 -2.341 -1.619 -12.172 522 HG22 VAL 100 HG2 VAL 100 -1.560 -2.129 -9.200 523 HG22 VAL 100 HG2 VAL 100 -1.158 -1.036 -10.546 524 HG22 VAL 100 HG2 VAL 100 -1.789 -0.374 -9.019 525 H ALA 101 HN ALA 101 -6.456 -0.118 -8.396 526 HA ALA 101 HA ALA 101 -7.957 0.024 -10.912 527 HB1 ALA 101 HB1 ALA 101 -8.067 -2.284 -10.068 528 HB2 ALA 101 HB2 ALA 101 -8.604 -1.689 -8.478 529 HB3 ALA 101 HB3 ALA 101 -9.648 -1.482 -9.905 530 H SER 102 HN SER 102 -7.180 2.319 -9.646 531 HA SER 102 HA SER 102 -9.598 3.511 -9.097 532 HB2 SER 102 HB2 SER 102 -8.396 2.235 -6.778 533 HB3 SER 102 HB3 SER 102 -8.412 3.971 -6.540 534 HG SER 102 HG SER 102 -10.782 2.751 -7.561 535 H PHE 103 HN PHE 103 -6.050 3.396 -8.592 536 HA PHE 103 HA PHE 103 -5.737 5.910 -9.858 537 HB2 PHE 103 HB2 PHE 103 -4.430 6.615 -7.557 538 HB3 PHE 103 HB3 PHE 103 -6.105 7.050 -7.835 539 HD1 PHE 103 HD1 PHE 103 -4.552 3.800 -6.848 540 HD2 PHE 103 HD2 PHE 103 -7.194 6.952 -5.800 541 HE1 PHE 103 HE1 PHE 103 -5.220 2.552 -4.775 542 HE2 PHE 103 HE2 PHE 103 -7.861 5.703 -3.727 543 HZ PHE 103 HZ PHE 103 -6.866 3.519 -3.240 544 HA PRO 104 HA PRO 104 -2.126 3.094 -10.012 545 HB2 PRO 104 HB2 PRO 104 -2.143 2.558 -12.664 546 HB3 PRO 104 HB3 PRO 104 -3.324 1.782 -11.559 547 HG2 PRO 104 HG2 PRO 104 -3.524 4.041 -13.190 548 HG3 PRO 104 HG3 PRO 104 -4.923 2.918 -13.192 549 HD2 PRO 104 HD2 PRO 104 -4.999 5.278 -11.832 550 HD3 PRO 104 HD3 PRO 104 -5.718 3.800 -11.123 Start of MODEL 19 1 H ALA 25 HN ALA 25 -10.290 -7.920 -7.445 2 HA ALA 25 HA ALA 25 -12.002 -8.255 -5.078 3 HB1 ALA 25 HB1 ALA 25 -12.208 -10.584 -6.559 4 HB2 ALA 25 HB2 ALA 25 -13.364 -9.231 -6.601 5 HB3 ALA 25 HB3 ALA 25 -12.072 -9.336 -7.821 6 H GLY 26 HN GLY 26 -11.346 -9.686 -3.474 7 HA2 GLY 26 HA1 GLY 26 -10.082 -11.367 -2.541 8 HA3 GLY 26 HA2 GLY 26 -9.056 -11.415 -3.961 9 H GLY 27 HN GLY 27 -7.877 -9.097 -4.346 10 HA2 GLY 27 HA1 GLY 27 -6.021 -8.816 -2.279 11 HA3 GLY 27 HA2 GLY 27 -6.259 -7.717 -3.624 12 H GLY 28 HN GLY 28 -9.125 -7.155 -2.959 13 HA2 GLY 28 HA1 GLY 28 -8.721 -4.937 -1.258 14 HA3 GLY 28 HA2 GLY 28 -10.251 -5.554 -1.849 15 H GLU 29 HN GLU 29 -10.004 -8.269 -0.760 16 HA GLU 29 HA GLU 29 -11.107 -7.803 1.728 17 HB2 GLU 29 HB2 GLU 29 -11.455 -9.832 0.257 18 HB3 GLU 29 HB3 GLU 29 -9.860 -10.395 0.715 19 HG2 GLU 29 HG2 GLU 29 -10.945 -11.455 2.424 20 HG3 GLU 29 HG3 GLU 29 -10.940 -9.882 3.198 21 HE2 GLU 29 HE2 GLU 29 -14.233 -11.491 2.915 22 H LEU 30 HN LEU 30 -7.777 -8.062 0.675 23 HA LEU 30 HA LEU 30 -6.839 -8.645 3.359 24 HB2 LEU 30 HB2 LEU 30 -5.279 -8.147 0.822 25 HB3 LEU 30 HB3 LEU 30 -4.647 -8.754 2.339 26 HG LEU 30 HG LEU 30 -6.419 -10.151 0.343 27 HD11 LEU 30 HD1 LEU 30 -4.575 -11.949 0.929 28 HD11 LEU 30 HD1 LEU 30 -4.259 -10.637 -0.233 29 HD11 LEU 30 HD1 LEU 30 -3.660 -10.509 1.439 30 HD22 LEU 30 HD2 LEU 30 -7.601 -10.812 2.193 31 HD22 LEU 30 HD2 LEU 30 -6.323 -12.050 2.163 32 HD22 LEU 30 HD2 LEU 30 -6.200 -10.671 3.282 33 H PHE 31 HN PHE 31 -6.921 -5.988 0.930 34 HA PHE 31 HA PHE 31 -5.404 -4.221 2.541 35 HB2 PHE 31 HB2 PHE 31 -5.582 -3.960 0.099 36 HB3 PHE 31 HB3 PHE 31 -7.333 -4.004 0.164 37 HD1 PHE 31 HD1 PHE 31 -8.444 -2.065 1.565 38 HD2 PHE 31 HD2 PHE 31 -4.527 -1.908 -0.059 39 HE1 PHE 31 HE1 PHE 31 -8.504 0.442 1.663 40 HE2 PHE 31 HE2 PHE 31 -4.587 0.600 0.038 41 HZ PHE 31 HZ PHE 31 -6.575 1.745 0.898 42 H ALA 32 HN ALA 32 -8.684 -5.348 2.645 43 HA ALA 32 HA ALA 32 -9.588 -2.937 4.016 44 HB1 ALA 32 HB1 ALA 32 -11.000 -5.436 3.004 45 HB2 ALA 32 HB2 ALA 32 -11.810 -4.127 3.898 46 HB3 ALA 32 HB3 ALA 32 -11.073 -3.798 2.312 47 H THR 33 HN THR 33 -7.514 -4.275 5.354 48 HA THR 33 HA THR 33 -8.689 -4.717 7.857 49 HB THR 33 HB THR 33 -8.196 -7.127 6.098 50 HG1 THR 33 HG1 THR 33 -10.344 -6.954 6.643 51 HG22 THR 33 HG2 THR 33 -8.138 -7.257 9.148 52 HG22 THR 33 HG2 THR 33 -7.844 -8.578 7.992 53 HG22 THR 33 HG2 THR 33 -6.643 -7.278 8.181 54 H HIS 34 HN HIS 34 -5.948 -5.261 5.618 55 HA HIS 34 HA HIS 34 -4.163 -4.856 7.894 56 HB2 HIS 34 HB2 HIS 34 -3.510 -5.845 5.105 57 HB3 HIS 34 HB3 HIS 34 -2.412 -5.772 6.469 58 HD1 HIS 34 HD1 HIS 34 -2.923 -7.459 8.502 59 HD2 HIS 34 HD2 HIS 34 -5.102 -8.118 4.979 60 HE1 HIS 34 HE1 HIS 34 -3.894 -9.811 8.692 61 H CYS 35 HN CYS 35 -5.853 -3.024 5.762 62 HA CYS 35 HA CYS 35 -3.772 -0.995 5.783 63 HB2 CYS 35 HB2 CYS 35 -5.408 -1.390 3.292 64 HB3 CYS 35 HB3 CYS 35 -3.962 -0.425 3.520 65 H ALA 36 HN ALA 36 -7.195 -1.929 5.025 66 HA ALA 36 HA ALA 36 -8.460 0.421 4.969 67 HB1 ALA 36 HB1 ALA 36 -10.111 -1.089 6.616 68 HB2 ALA 36 HB2 ALA 36 -10.038 -1.191 4.841 69 HB3 ALA 36 HB3 ALA 36 -9.086 -2.318 5.837 70 H GLY 37 HN GLY 37 -6.991 -1.137 7.839 71 HA2 GLY 37 HA1 GLY 37 -8.079 0.803 9.675 72 HA3 GLY 37 HA2 GLY 37 -6.921 -0.468 10.014 73 H CYS 38 HN CYS 38 -6.856 2.263 7.616 74 HA CYS 38 HA CYS 38 -5.259 3.988 8.935 75 HB2 CYS 38 HB2 CYS 38 -3.718 1.620 8.218 76 HB3 CYS 38 HB3 CYS 38 -3.064 3.058 7.459 77 H HIS 39 HN HIS 39 -6.000 2.172 5.957 78 HA HIS 39 HA HIS 39 -5.754 4.690 4.475 79 HB2 HIS 39 HB2 HIS 39 -5.217 1.842 3.622 80 HB3 HIS 39 HB3 HIS 39 -5.521 3.115 2.456 81 HD1 HIS 39 HD1 HIS 39 -3.843 5.389 3.033 82 HD2 HIS 39 HD2 HIS 39 -2.551 1.531 4.055 83 HE1 HIS 39 HE1 HIS 39 -1.306 5.524 3.273 84 HA PRO 40 HA PRO 40 -10.180 3.230 4.709 85 HB2 PRO 40 HB2 PRO 40 -11.233 5.357 6.011 86 HB3 PRO 40 HB3 PRO 40 -10.326 4.088 6.898 87 HG2 PRO 40 HG2 PRO 40 -8.957 6.878 5.981 88 HG3 PRO 40 HG3 PRO 40 -9.238 5.964 7.499 89 HD2 PRO 40 HD2 PRO 40 -7.028 5.631 5.791 90 HD3 PRO 40 HD3 PRO 40 -7.638 4.368 6.903 91 H GLN 41 HN GLN 41 -11.410 3.641 2.866 92 HA GLN 41 HA GLN 41 -11.899 4.542 0.935 93 HB2 GLN 41 HB2 GLN 41 -12.403 6.614 3.003 94 HB3 GLN 41 HB3 GLN 41 -12.350 7.237 1.366 95 HG2 GLN 41 HG2 GLN 41 -14.037 5.549 0.650 96 HG3 GLN 41 HG3 GLN 41 -14.067 4.875 2.268 97 HE21 GLN 41 HE2 GLN 41 -15.591 6.889 0.186 98 HE21 GLN 41 HE2 GLN 41 -16.460 7.918 1.275 99 H GLY 42 HN GLY 42 -9.236 4.150 0.880 100 HA2 GLY 42 HA1 GLY 42 -7.282 4.816 -0.013 101 HA3 GLY 42 HA2 GLY 42 -8.254 5.842 -1.049 102 H GLY 43 HN GLY 43 -8.530 6.382 2.414 103 HA2 GLY 43 HA1 GLY 43 -7.085 8.924 2.085 104 HA3 GLY 43 HA2 GLY 43 -8.306 8.558 3.287 105 H ASN 44 HN ASN 44 -6.795 9.324 4.948 106 HA ASN 44 HA ASN 44 -5.221 7.156 5.906 107 HB2 ASN 44 HB2 ASN 44 -3.952 9.332 4.453 108 HB3 ASN 44 HB3 ASN 44 -3.473 9.440 6.135 109 HD21 ASN 44 HD2 ASN 44 -1.623 8.899 4.246 110 HD21 ASN 44 HD2 ASN 44 -1.054 7.267 4.357 111 H THR 45 HN THR 45 -4.822 7.429 8.227 112 HA THR 45 HA THR 45 -6.206 9.764 9.373 113 HB THR 45 HB THR 45 -6.590 8.154 11.316 114 HG1 THR 45 HG1 THR 45 -5.937 5.974 10.879 115 HG22 THR 45 HG2 THR 45 -8.458 7.140 10.342 116 HG22 THR 45 HG2 THR 45 -8.123 8.360 9.090 117 HG22 THR 45 HG2 THR 45 -7.565 6.684 8.871 118 H VAL 46 HN VAL 46 -3.176 8.705 8.627 119 HA VAL 46 HA VAL 46 -2.062 9.692 11.156 120 HB VAL 46 HB VAL 46 -0.817 8.031 8.957 121 HG11 VAL 46 HG1 VAL 46 0.823 7.752 11.111 122 HG11 VAL 46 HG1 VAL 46 1.087 8.920 9.794 123 HG11 VAL 46 HG1 VAL 46 0.305 9.443 11.305 124 HG22 VAL 46 HG2 VAL 46 -0.769 6.280 10.817 125 HG22 VAL 46 HG2 VAL 46 -1.932 7.317 11.678 126 HG22 VAL 46 HG2 VAL 46 -2.355 6.633 10.089 127 H HIS 47 HN HIS 47 -1.517 9.775 7.561 128 HA HIS 47 HA HIS 47 -0.555 12.515 7.961 129 HB2 HIS 47 HB2 HIS 47 0.328 10.405 5.980 130 HB3 HIS 47 HB3 HIS 47 0.741 12.100 5.819 131 HD1 HIS 47 HD1 HIS 47 3.167 10.540 6.045 132 HD2 HIS 47 HD2 HIS 47 1.003 11.565 9.489 133 HE1 HIS 47 HE1 HIS 47 4.799 10.350 7.998 134 HA PRO 48 HA PRO 48 -4.112 13.356 5.424 135 HB2 PRO 48 HB2 PRO 48 -4.419 15.936 6.090 136 HB3 PRO 48 HB3 PRO 48 -4.626 14.663 7.337 137 HG2 PRO 48 HG2 PRO 48 -2.180 16.267 6.720 138 HG3 PRO 48 HG3 PRO 48 -2.807 16.049 8.386 139 HD2 PRO 48 HD2 PRO 48 -0.741 14.542 7.357 140 HD3 PRO 48 HD3 PRO 48 -1.932 13.854 8.502 141 H GLU 49 HN GLU 49 -0.946 13.686 4.731 142 HA GLU 49 HA GLU 49 -1.566 15.375 2.444 143 HB2 GLU 49 HB2 GLU 49 0.738 16.330 2.567 144 HB3 GLU 49 HB3 GLU 49 -0.236 16.749 3.962 145 HG2 GLU 49 HG2 GLU 49 0.940 15.299 5.401 146 HG3 GLU 49 HG3 GLU 49 1.464 14.254 4.095 147 HE2 GLU 49 HE2 GLU 49 2.871 15.902 6.153 148 H LYS 50 HN LYS 50 -0.983 12.332 3.447 149 HA LYS 50 HA LYS 50 0.528 11.705 1.015 150 HB2 LYS 50 HB2 LYS 50 0.919 10.342 3.695 151 HB3 LYS 50 HB3 LYS 50 1.752 9.970 2.199 152 HG2 LYS 50 HG2 LYS 50 1.954 12.830 2.809 153 HG3 LYS 50 HG3 LYS 50 2.526 11.870 4.159 154 HD2 LYS 50 HD2 LYS 50 4.057 10.618 2.656 155 HD3 LYS 50 HD3 LYS 50 3.446 11.497 1.268 156 HE2 LYS 50 HE2 LYS 50 4.729 12.890 3.662 157 HE3 LYS 50 HE3 LYS 50 5.653 12.363 2.269 158 HZ1 LYS 50 HZ1 LYS 50 3.486 14.382 2.303 159 HZ2 LYS 50 HZ2 LYS 50 5.034 14.596 1.843 160 H THR 51 HN THR 51 -1.357 11.207 -0.148 161 HA THR 51 HA THR 51 -3.040 9.101 1.021 162 HB THR 51 HB THR 51 -4.757 9.940 -0.468 163 HG1 THR 51 HG1 THR 51 -2.622 11.626 -1.554 164 HG22 THR 51 HG2 THR 51 -3.713 12.646 -0.230 165 HG22 THR 51 HG2 THR 51 -5.059 11.901 0.664 166 HG22 THR 51 HG2 THR 51 -3.395 11.760 1.281 167 H LEU 52 HN LEU 52 -4.130 8.099 -1.379 168 HA LEU 52 HA LEU 52 -1.792 6.612 -2.318 169 HB2 LEU 52 HB2 LEU 52 -4.734 5.931 -2.401 170 HB3 LEU 52 HB3 LEU 52 -3.440 4.923 -3.017 171 HG LEU 52 HG LEU 52 -3.856 5.715 -0.121 172 HD11 LEU 52 HD1 LEU 52 -4.257 3.236 0.148 173 HD11 LEU 52 HD1 LEU 52 -5.525 4.139 -0.716 174 HD11 LEU 52 HD1 LEU 52 -4.365 3.142 -1.627 175 HD22 LEU 52 HD2 LEU 52 -1.471 5.502 -0.682 176 HD22 LEU 52 HD2 LEU 52 -2.021 4.213 0.414 177 HD22 LEU 52 HD2 LEU 52 -1.771 3.865 -1.313 178 H ALA 53 HN ALA 53 -2.652 9.392 -3.180 179 HA ALA 53 HA ALA 53 -3.631 8.948 -5.861 180 HB1 ALA 53 HB1 ALA 53 -4.324 10.879 -4.393 181 HB2 ALA 53 HB2 ALA 53 -2.662 11.505 -4.526 182 HB3 ALA 53 HB3 ALA 53 -3.680 11.364 -5.980 183 H ARG 54 HN ARG 54 -2.402 8.879 -7.710 184 HA ARG 54 HA ARG 54 0.219 8.228 -7.555 185 HB2 ARG 54 HB2 ARG 54 -1.308 7.914 -9.547 186 HB3 ARG 54 HB3 ARG 54 -1.171 9.625 -9.898 187 HG2 ARG 54 HG2 ARG 54 1.484 8.990 -9.740 188 HG3 ARG 54 HG3 ARG 54 0.850 7.441 -10.262 189 HD2 ARG 54 HD2 ARG 54 -0.086 9.934 -11.697 190 HD3 ARG 54 HD3 ARG 54 1.520 9.326 -12.043 191 HE ARG 54 HE ARG 54 -1.039 7.997 -12.684 192 H ALA 55 HN ALA 55 -1.301 11.458 -8.129 193 HA ALA 55 HA ALA 55 0.794 12.984 -8.835 194 HB1 ALA 55 HB1 ALA 55 -0.503 14.771 -8.146 195 HB2 ALA 55 HB2 ALA 55 -1.732 13.484 -8.150 196 HB3 ALA 55 HB3 ALA 55 -0.972 13.983 -6.620 197 H ARG 56 HN ARG 56 0.061 11.715 -5.541 198 HA ARG 56 HA ARG 56 2.372 13.040 -4.509 199 HB2 ARG 56 HB2 ARG 56 0.105 11.405 -3.397 200 HB3 ARG 56 HB3 ARG 56 1.596 11.387 -2.476 201 HG2 ARG 56 HG2 ARG 56 0.607 13.267 -1.539 202 HG3 ARG 56 HG3 ARG 56 1.484 14.037 -2.846 203 HD2 ARG 56 HD2 ARG 56 -0.474 14.825 -3.680 204 HD3 ARG 56 HD3 ARG 56 -1.005 13.180 -3.967 205 HE ARG 56 HE ARG 56 -2.483 13.463 -2.195 206 H ARG 57 HN ARG 57 1.219 9.657 -5.128 207 HA ARG 57 HA ARG 57 3.385 8.344 -4.133 208 HB2 ARG 57 HB2 ARG 57 1.117 7.756 -5.865 209 HB3 ARG 57 HB3 ARG 57 2.535 6.935 -6.486 210 HG2 ARG 57 HG2 ARG 57 2.201 5.342 -4.905 211 HG3 ARG 57 HG3 ARG 57 2.698 6.519 -3.707 212 HD2 ARG 57 HD2 ARG 57 0.514 5.641 -3.055 213 HD3 ARG 57 HD3 ARG 57 0.309 7.315 -3.534 214 HE ARG 57 HE ARG 57 -1.051 6.596 -5.287 215 H GLU 58 HN GLU 58 3.140 10.413 -6.918 216 HA GLU 58 HA GLU 58 5.229 9.181 -8.388 217 HB2 GLU 58 HB2 GLU 58 4.728 10.720 -10.029 218 HB3 GLU 58 HB3 GLU 58 3.233 10.819 -9.119 219 HG2 GLU 58 HG2 GLU 58 3.876 13.089 -9.395 220 HG3 GLU 58 HG3 GLU 58 4.365 12.714 -7.754 221 HE2 GLU 58 HE2 GLU 58 5.978 14.099 -7.726 222 H ALA 59 HN ALA 59 4.894 11.933 -6.096 223 HA ALA 59 HA ALA 59 7.404 13.048 -6.436 224 HB1 ALA 59 HB1 ALA 59 5.320 13.823 -5.086 225 HB2 ALA 59 HB2 ALA 59 6.001 12.848 -3.762 226 HB3 ALA 59 HB3 ALA 59 6.933 14.205 -4.438 227 H ASN 60 HN ASN 60 6.304 10.525 -4.060 228 HA ASN 60 HA ASN 60 8.935 10.121 -3.147 229 HB2 ASN 60 HB2 ASN 60 6.600 8.165 -2.898 230 HB3 ASN 60 HB3 ASN 60 7.966 8.322 -1.812 231 HD21 ASN 60 HD2 ASN 60 7.980 11.250 -1.991 232 HD21 ASN 60 HD2 ASN 60 6.672 11.828 -1.013 233 H GLY 61 HN GLY 61 6.771 8.716 -5.624 234 HA2 GLY 61 HA1 GLY 61 7.506 7.586 -7.510 235 HA3 GLY 61 HA2 GLY 61 9.011 7.183 -6.707 236 H ILE 62 HN ILE 62 5.450 6.528 -6.600 237 HA ILE 62 HA ILE 62 6.090 3.741 -6.065 238 HB ILE 62 HB ILE 62 4.142 5.313 -4.376 239 HG12 ILE 62 HG1 ILE 62 7.007 4.533 -3.941 240 HG13 ILE 62 HG1 ILE 62 6.194 6.042 -3.577 241 HG22 ILE 62 HG2 ILE 62 3.984 3.255 -3.055 242 HG22 ILE 62 HG2 ILE 62 3.455 3.000 -4.736 243 HG22 ILE 62 HG2 ILE 62 5.057 2.428 -4.210 244 HD11 ILE 62 HD1 ILE 62 5.798 3.389 -2.119 245 HD11 ILE 62 HD1 ILE 62 6.627 4.833 -1.490 246 HD11 ILE 62 HD1 ILE 62 4.872 4.872 -1.784 247 H ARG 63 HN ARG 63 5.522 4.419 -8.538 248 HA ARG 63 HA ARG 63 2.639 4.094 -8.757 249 HB2 ARG 63 HB2 ARG 63 2.936 5.009 -11.102 250 HB3 ARG 63 HB3 ARG 63 3.372 6.151 -9.847 251 HG2 ARG 63 HG2 ARG 63 5.496 4.337 -11.029 252 HG3 ARG 63 HG3 ARG 63 4.998 5.773 -11.901 253 HD2 ARG 63 HD2 ARG 63 6.241 7.099 -10.538 254 HD3 ARG 63 HD3 ARG 63 5.426 6.479 -9.116 255 HE ARG 63 HE ARG 63 7.305 5.170 -8.692 256 H THR 64 HN THR 64 3.721 1.743 -8.168 257 HA THR 64 HA THR 64 3.561 0.267 -10.633 258 HB THR 64 HB THR 64 5.802 -0.821 -10.286 259 HG1 THR 64 HG1 THR 64 5.850 1.319 -8.275 260 HG22 THR 64 HG2 THR 64 7.218 1.011 -11.015 261 HG22 THR 64 HG2 THR 64 5.611 1.322 -11.714 262 HG22 THR 64 HG2 THR 64 6.141 2.217 -10.271 263 H VAL 65 HN VAL 65 3.135 -1.975 -10.314 264 HA VAL 65 HA VAL 65 1.632 -2.461 -7.997 265 HB VAL 65 HB VAL 65 2.664 -4.176 -10.251 266 HG11 VAL 65 HG1 VAL 65 2.422 -5.510 -8.123 267 HG11 VAL 65 HG1 VAL 65 0.694 -5.081 -8.130 268 HG11 VAL 65 HG1 VAL 65 1.380 -6.037 -9.466 269 HG22 VAL 65 HG2 VAL 65 0.568 -3.944 -11.204 270 HG22 VAL 65 HG2 VAL 65 -0.223 -3.599 -9.648 271 HG22 VAL 65 HG2 VAL 65 0.779 -2.354 -10.432 272 H ARG 66 HN ARG 66 4.776 -3.904 -9.128 273 HA ARG 66 HA ARG 66 5.307 -5.449 -7.032 274 HB2 ARG 66 HB2 ARG 66 7.277 -3.625 -8.503 275 HB3 ARG 66 HB3 ARG 66 7.760 -4.981 -7.503 276 HG2 ARG 66 HG2 ARG 66 5.802 -6.053 -9.244 277 HG3 ARG 66 HG3 ARG 66 6.744 -4.977 -10.257 278 HD2 ARG 66 HD2 ARG 66 8.733 -6.263 -8.791 279 HD3 ARG 66 HD3 ARG 66 7.541 -7.535 -8.972 280 HE ARG 66 HE ARG 66 8.026 -7.630 -11.259 281 H ASP 67 HN ASP 67 6.510 -2.015 -7.322 282 HA ASP 67 HA ASP 67 7.670 -1.634 -5.017 283 HB2 ASP 67 HB2 ASP 67 5.685 0.113 -6.497 284 HB3 ASP 67 HB3 ASP 67 6.377 0.692 -4.995 285 HD2 ASP 67 HD2 ASP 67 7.501 -0.459 -8.178 286 H VAL 68 HN VAL 68 4.095 -1.750 -5.562 287 HA VAL 68 HA VAL 68 3.547 -1.309 -2.766 288 HB VAL 68 HB VAL 68 1.739 -2.018 -5.085 289 HG11 VAL 68 HG1 VAL 68 0.679 -0.552 -2.740 290 HG11 VAL 68 HG1 VAL 68 -0.054 -1.847 -3.716 291 HG11 VAL 68 HG1 VAL 68 1.125 -2.250 -2.446 292 HG22 VAL 68 HG2 VAL 68 3.112 0.431 -4.423 293 HG22 VAL 68 HG2 VAL 68 2.043 0.072 -5.800 294 HG22 VAL 68 HG2 VAL 68 1.354 0.661 -4.268 295 H ALA 69 HN ALA 69 5.255 -3.405 -2.809 296 HA ALA 69 HA ALA 69 3.643 -5.486 -1.732 297 HB1 ALA 69 HB1 ALA 69 4.123 -7.227 -3.293 298 HB2 ALA 69 HB2 ALA 69 3.538 -5.855 -4.264 299 HB3 ALA 69 HB3 ALA 69 5.280 -6.210 -4.185 300 H ALA 70 HN ALA 70 6.825 -4.401 -3.043 301 HA ALA 70 HA ALA 70 8.273 -6.089 -1.241 302 HB1 ALA 70 HB1 ALA 70 8.879 -4.038 -3.347 303 HB2 ALA 70 HB2 ALA 70 10.142 -4.415 -2.151 304 HB3 ALA 70 HB3 ALA 70 9.474 -5.707 -3.177 305 H TYR 71 HN TYR 71 8.094 -2.529 -1.663 306 HA TYR 71 HA TYR 71 9.309 -1.687 0.644 307 HB2 TYR 71 HB2 TYR 71 7.267 -0.655 -1.191 308 HB3 TYR 71 HB3 TYR 71 7.120 0.010 0.444 309 HD1 TYR 71 HD1 TYR 71 9.968 -0.856 -1.864 310 HD2 TYR 71 HD2 TYR 71 8.135 2.066 0.696 311 HE1 TYR 71 HE1 TYR 71 11.819 0.724 -2.341 312 HE2 TYR 71 HE2 TYR 71 9.986 3.646 0.219 313 HH TYR 71 HH TYR 71 12.811 2.727 -1.734 314 H ILE 72 HN ILE 72 5.730 -2.419 0.363 315 HA ILE 72 HA ILE 72 4.976 -1.941 2.888 316 HB ILE 72 HB ILE 72 3.337 -3.779 2.600 317 HG12 ILE 72 HG1 ILE 72 4.352 -4.317 -0.155 318 HG13 ILE 72 HG1 ILE 72 5.188 -5.093 1.176 319 HG22 ILE 72 HG2 ILE 72 3.328 -1.386 1.493 320 HG22 ILE 72 HG2 ILE 72 3.451 -2.328 -0.013 321 HG22 ILE 72 HG2 ILE 72 2.083 -2.595 1.095 322 HD11 ILE 72 HD1 ILE 72 2.518 -5.475 1.866 323 HD11 ILE 72 HD1 ILE 72 2.491 -5.617 0.092 324 HD11 ILE 72 HD1 ILE 72 3.553 -6.673 1.054 325 H ARG 73 HN ARG 73 6.986 -4.667 1.736 326 HA ARG 73 HA ARG 73 6.830 -6.217 3.984 327 HB2 ARG 73 HB2 ARG 73 7.950 -6.746 1.727 328 HB3 ARG 73 HB3 ARG 73 9.336 -5.825 2.277 329 HG2 ARG 73 HG2 ARG 73 10.057 -7.508 3.641 330 HG3 ARG 73 HG3 ARG 73 8.455 -7.782 4.297 331 HD2 ARG 73 HD2 ARG 73 7.892 -9.361 2.654 332 HD3 ARG 73 HD3 ARG 73 8.967 -8.665 1.458 333 HE ARG 73 HE ARG 73 10.297 -9.855 3.815 334 H ASN 74 HN ASN 74 9.472 -3.867 3.079 335 HA ASN 74 HA ASN 74 9.851 -3.465 5.940 336 HB2 ASN 74 HB2 ASN 74 11.705 -4.790 4.630 337 HB3 ASN 74 HB3 ASN 74 12.096 -3.253 3.884 338 HD21 ASN 74 HD2 ASN 74 14.118 -4.128 5.104 339 HD21 ASN 74 HD2 ASN 74 14.398 -3.453 6.674 340 HA PRO 75 HA PRO 75 9.094 0.557 3.774 341 HB2 PRO 75 HB2 PRO 75 6.900 1.340 5.184 342 HB3 PRO 75 HB3 PRO 75 6.793 0.123 3.871 343 HG2 PRO 75 HG2 PRO 75 6.865 -0.191 6.666 344 HG3 PRO 75 HG3 PRO 75 5.851 -1.248 5.630 345 HD2 PRO 75 HD2 PRO 75 8.283 -2.021 6.761 346 HD3 PRO 75 HD3 PRO 75 7.655 -2.695 5.227 347 H GLY 76 HN GLY 76 8.834 2.856 4.959 348 HA2 GLY 76 HA1 GLY 76 10.823 2.837 7.088 349 HA3 GLY 76 HA2 GLY 76 10.228 4.219 6.190 350 HA PRO 77 HA PRO 77 8.483 4.163 10.561 351 HB2 PRO 77 HB2 PRO 77 9.134 7.077 10.131 352 HB3 PRO 77 HB3 PRO 77 9.435 6.006 11.539 353 HG2 PRO 77 HG2 PRO 77 11.523 6.693 9.880 354 HG3 PRO 77 HG3 PRO 77 11.203 5.151 10.739 355 HD2 PRO 77 HD2 PRO 77 10.689 5.920 7.819 356 HD3 PRO 77 HD3 PRO 77 11.442 4.432 8.469 357 H GLY 78 HN GLY 78 6.399 5.148 11.219 358 HA2 GLY 78 HA1 GLY 78 4.521 6.453 10.811 359 HA3 GLY 78 HA2 GLY 78 5.024 6.695 9.150 360 H MET 79 HN MET 79 5.648 3.842 8.613 361 HA MET 79 HA MET 79 2.924 2.797 8.724 362 HB2 MET 79 HB2 MET 79 4.007 3.676 6.437 363 HB3 MET 79 HB3 MET 79 4.875 2.154 6.476 364 HG2 MET 79 HG2 MET 79 2.865 0.861 6.345 365 HG3 MET 79 HG3 MET 79 1.857 2.206 6.839 366 HE1 MET 79 HE1 MET 79 4.133 0.823 3.802 367 HE2 MET 79 HE2 MET 79 2.609 0.027 4.261 368 HE3 MET 79 HE3 MET 79 2.730 0.891 2.710 369 HA PRO 80 HA PRO 80 4.629 -0.615 10.919 370 HB2 PRO 80 HB2 PRO 80 2.359 -2.085 9.580 371 HB3 PRO 80 HB3 PRO 80 2.781 -1.917 11.315 372 HG2 PRO 80 HG2 PRO 80 0.686 -0.511 10.239 373 HG3 PRO 80 HG3 PRO 80 1.837 -0.041 11.532 374 HD2 PRO 80 HD2 PRO 80 1.764 0.738 8.578 375 HD3 PRO 80 HD3 PRO 80 2.094 1.766 10.005 376 H ALA 81 HN ALA 81 4.005 -3.339 9.672 377 HA ALA 81 HA ALA 81 5.385 -3.222 7.143 378 HB1 ALA 81 HB1 ALA 81 7.092 -3.178 9.142 379 HB2 ALA 81 HB2 ALA 81 6.664 -4.899 9.301 380 HB3 ALA 81 HB3 ALA 81 7.361 -4.292 7.780 381 H PHE 82 HN PHE 82 5.602 -5.544 6.247 382 HA PHE 82 HA PHE 82 3.733 -7.391 7.472 383 HB2 PHE 82 HB2 PHE 82 3.558 -6.314 4.593 384 HB3 PHE 82 HB3 PHE 82 2.521 -7.564 5.251 385 HD1 PHE 82 HD1 PHE 82 0.775 -7.003 6.877 386 HD2 PHE 82 HD2 PHE 82 3.208 -3.989 5.145 387 HE1 PHE 82 HE1 PHE 82 -0.853 -5.251 7.640 388 HE2 PHE 82 HE2 PHE 82 1.581 -2.237 5.908 389 HZ PHE 82 HZ PHE 82 -0.430 -2.888 7.146 390 H GLY 83 HN GLY 83 5.083 -9.132 7.682 391 HA2 GLY 83 HA1 GLY 83 6.945 -9.725 5.491 392 HA3 GLY 83 HA2 GLY 83 6.997 -10.358 7.125 393 H GLU 84 HN GLU 84 7.278 -12.425 5.721 394 HA GLU 84 HA GLU 84 4.910 -13.354 4.462 395 HB2 GLU 84 HB2 GLU 84 7.332 -13.939 3.832 396 HB3 GLU 84 HB3 GLU 84 7.359 -14.991 5.233 397 HG2 GLU 84 HG2 GLU 84 5.006 -15.802 4.063 398 HG3 GLU 84 HG3 GLU 84 5.909 -15.318 2.641 399 HE2 GLU 84 HE2 GLU 84 8.351 -17.777 3.053 400 H ALA 85 HN ALA 85 5.541 -12.826 7.638 401 HA ALA 85 HA ALA 85 4.964 -15.273 8.872 402 HB1 ALA 85 HB1 ALA 85 5.824 -12.864 9.710 403 HB2 ALA 85 HB2 ALA 85 4.101 -12.699 10.128 404 HB3 ALA 85 HB3 ALA 85 5.057 -14.038 10.807 405 H MET 86 HN MET 86 2.916 -12.604 7.598 406 HA MET 86 HA MET 86 0.627 -14.334 8.136 407 HB2 MET 86 HB2 MET 86 0.863 -12.011 9.349 408 HB3 MET 86 HB3 MET 86 0.534 -11.298 7.782 409 HG2 MET 86 HG2 MET 86 -1.666 -12.249 7.676 410 HG3 MET 86 HG3 MET 86 -1.320 -13.415 8.938 411 HE1 MET 86 HE1 MET 86 -1.604 -12.304 11.969 412 HE2 MET 86 HE2 MET 86 -0.154 -12.617 10.984 413 HE3 MET 86 HE3 MET 86 -0.365 -11.040 11.783 414 H ILE 87 HN ILE 87 1.893 -11.716 5.956 415 HA ILE 87 HA ILE 87 0.365 -12.991 3.794 416 HB ILE 87 HB ILE 87 1.156 -10.090 4.078 417 HG12 ILE 87 HG1 ILE 87 -1.317 -11.596 4.823 418 HG13 ILE 87 HG1 ILE 87 -0.524 -10.265 5.641 419 HG22 ILE 87 HG2 ILE 87 0.980 -11.131 1.739 420 HG22 ILE 87 HG2 ILE 87 -0.765 -11.252 2.066 421 HG22 ILE 87 HG2 ILE 87 0.033 -9.661 2.071 422 HD11 ILE 87 HD1 ILE 87 -2.397 -9.190 4.738 423 HD11 ILE 87 HD1 ILE 87 -1.191 -8.895 3.463 424 HD11 ILE 87 HD1 ILE 87 -2.392 -10.194 3.269 425 HA PRO 88 HA PRO 88 4.442 -13.964 2.354 426 HB2 PRO 88 HB2 PRO 88 3.633 -15.484 0.234 427 HB3 PRO 88 HB3 PRO 88 3.457 -16.042 1.930 428 HG2 PRO 88 HG2 PRO 88 1.639 -14.753 0.221 429 HG3 PRO 88 HG3 PRO 88 1.111 -16.205 1.133 430 HD2 PRO 88 HD2 PRO 88 0.380 -13.790 2.014 431 HD3 PRO 88 HD3 PRO 88 1.064 -14.945 3.199 432 HA PRO 89 HA PRO 89 5.285 -10.614 -0.374 433 HB2 PRO 89 HB2 PRO 89 7.005 -12.698 -1.758 434 HB3 PRO 89 HB3 PRO 89 7.393 -11.029 -1.228 435 HG2 PRO 89 HG2 PRO 89 8.181 -13.234 0.304 436 HG3 PRO 89 HG3 PRO 89 7.703 -11.560 0.736 437 HD2 PRO 89 HD2 PRO 89 6.194 -14.178 1.023 438 HD3 PRO 89 HD3 PRO 89 6.151 -12.725 2.067 439 H ALA 90 HN ALA 90 4.796 -13.931 -1.835 440 HA ALA 90 HA ALA 90 4.087 -13.026 -4.357 441 HB1 ALA 90 HB1 ALA 90 2.637 -15.411 -3.436 442 HB2 ALA 90 HB2 ALA 90 3.851 -15.242 -4.727 443 HB3 ALA 90 HB3 ALA 90 4.372 -15.457 -3.039 444 H ASP 91 HN ASP 91 2.132 -13.528 -1.367 445 HA ASP 91 HA ASP 91 -0.301 -12.996 -2.632 446 HB2 ASP 91 HB2 ASP 91 0.675 -12.991 0.240 447 HB3 ASP 91 HB3 ASP 91 -0.945 -12.429 -0.123 448 HD2 ASP 91 HD2 ASP 91 0.581 -15.693 -1.258 449 H ALA 92 HN ALA 92 2.399 -11.036 -1.867 450 HA ALA 92 HA ALA 92 0.904 -8.654 -1.214 451 HB1 ALA 92 HB1 ALA 92 2.990 -7.717 -0.738 452 HB2 ALA 92 HB2 ALA 92 3.273 -9.439 -0.383 453 HB3 ALA 92 HB3 ALA 92 3.836 -8.742 -1.921 454 H LEU 93 HN LEU 93 2.631 -10.145 -3.990 455 HA LEU 93 HA LEU 93 2.577 -7.905 -5.651 456 HB2 LEU 93 HB2 LEU 93 2.663 -10.868 -6.207 457 HB3 LEU 93 HB3 LEU 93 2.765 -9.658 -7.471 458 HG LEU 93 HG LEU 93 4.688 -9.756 -5.137 459 HD11 LEU 93 HD1 LEU 93 4.726 -11.884 -6.434 460 HD11 LEU 93 HD1 LEU 93 5.133 -10.941 -7.888 461 HD11 LEU 93 HD1 LEU 93 6.249 -10.964 -6.502 462 HD22 LEU 93 HD2 LEU 93 6.070 -8.306 -6.428 463 HD22 LEU 93 HD2 LEU 93 5.021 -8.473 -7.857 464 HD22 LEU 93 HD2 LEU 93 4.431 -7.611 -6.415 465 H LYS 94 HN LYS 94 0.027 -9.843 -4.387 466 HA LYS 94 HA LYS 94 -1.724 -9.335 -6.639 467 HB2 LYS 94 HB2 LYS 94 -1.900 -11.500 -5.628 468 HB3 LYS 94 HB3 LYS 94 -2.061 -10.818 -4.022 469 HG2 LYS 94 HG2 LYS 94 -4.084 -9.659 -5.765 470 HG3 LYS 94 HG3 LYS 94 -4.148 -11.406 -5.888 471 HD2 LYS 94 HD2 LYS 94 -3.808 -10.552 -3.097 472 HD3 LYS 94 HD3 LYS 94 -5.229 -9.819 -3.814 473 HE2 LYS 94 HE2 LYS 94 -4.859 -12.725 -4.415 474 HE3 LYS 94 HE3 LYS 94 -5.183 -12.348 -2.734 475 HZ1 LYS 94 HZ1 LYS 94 -7.005 -12.325 -4.884 476 HZ2 LYS 94 HZ2 LYS 94 -7.323 -12.080 -3.306 477 H ILE 95 HN ILE 95 -0.751 -7.905 -3.599 478 HA ILE 95 HA ILE 95 -3.164 -6.437 -3.205 479 HB ILE 95 HB ILE 95 -0.412 -5.976 -2.053 480 HG12 ILE 95 HG1 ILE 95 -1.333 -8.325 -1.772 481 HG13 ILE 95 HG1 ILE 95 -0.910 -7.467 -0.304 482 HG22 ILE 95 HG2 ILE 95 -3.161 -4.957 -1.384 483 HG22 ILE 95 HG2 ILE 95 -1.907 -5.095 -0.128 484 HG22 ILE 95 HG2 ILE 95 -1.630 -4.066 -1.554 485 HD11 ILE 95 HD1 ILE 95 -3.296 -6.826 0.024 486 HD11 ILE 95 HD1 ILE 95 -3.725 -7.701 -1.465 487 HD11 ILE 95 HD1 ILE 95 -3.098 -8.593 -0.058 488 H GLY 96 HN GLY 96 0.022 -5.876 -4.771 489 HA2 GLY 96 HA1 GLY 96 -0.090 -3.165 -5.207 490 HA3 GLY 96 HA2 GLY 96 0.658 -4.333 -6.279 491 H GLU 97 HN GLU 97 -2.134 -5.710 -6.544 492 HA GLU 97 HA GLU 97 -2.840 -4.276 -8.869 493 HB2 GLU 97 HB2 GLU 97 -4.533 -6.442 -7.585 494 HB3 GLU 97 HB3 GLU 97 -4.367 -6.060 -9.288 495 HG2 GLU 97 HG2 GLU 97 -1.849 -6.689 -8.998 496 HG3 GLU 97 HG3 GLU 97 -2.329 -7.402 -7.470 497 HE2 GLU 97 HE2 GLU 97 -4.466 -9.190 -8.105 498 H TYR 98 HN TYR 98 -4.501 -5.010 -5.776 499 HA TYR 98 HA TYR 98 -6.878 -3.674 -6.079 500 HB2 TYR 98 HB2 TYR 98 -6.244 -4.940 -4.084 501 HB3 TYR 98 HB3 TYR 98 -5.051 -3.702 -3.654 502 HD1 TYR 98 HD1 TYR 98 -5.652 -1.941 -2.247 503 HD2 TYR 98 HD2 TYR 98 -8.720 -4.158 -4.276 504 HE1 TYR 98 HE1 TYR 98 -7.385 -0.715 -0.965 505 HE2 TYR 98 HE2 TYR 98 -10.454 -2.932 -2.995 506 HH TYR 98 HH TYR 98 -9.668 -0.237 -0.834 507 H VAL 99 HN VAL 99 -3.617 -2.233 -5.771 508 HA VAL 99 HA VAL 99 -4.852 0.400 -5.529 509 HB VAL 99 HB VAL 99 -2.014 -0.600 -5.272 510 HG11 VAL 99 HG1 VAL 99 -1.423 1.476 -5.924 511 HG11 VAL 99 HG1 VAL 99 -3.063 2.127 -5.690 512 HG11 VAL 99 HG1 VAL 99 -1.967 1.957 -4.298 513 HG22 VAL 99 HG2 VAL 99 -2.976 -1.157 -3.265 514 HG22 VAL 99 HG2 VAL 99 -2.507 0.524 -2.913 515 HG22 VAL 99 HG2 VAL 99 -4.188 0.143 -3.355 516 H VAL 100 HN VAL 100 -5.363 -1.018 -7.946 517 HA VAL 100 HA VAL 100 -4.126 0.838 -9.784 518 HB VAL 100 HB VAL 100 -3.804 -2.159 -10.001 519 HG11 VAL 100 HG1 VAL 100 -3.701 -0.007 -12.078 520 HG11 VAL 100 HG1 VAL 100 -2.509 -1.325 -12.168 521 HG11 VAL 100 HG1 VAL 100 -4.249 -1.695 -12.204 522 HG22 VAL 100 HG2 VAL 100 -1.403 -1.638 -10.124 523 HG22 VAL 100 HG2 VAL 100 -1.766 0.093 -9.925 524 HG22 VAL 100 HG2 VAL 100 -2.121 -1.048 -8.606 525 H ALA 101 HN ALA 101 -6.800 0.097 -8.473 526 HA ALA 101 HA ALA 101 -8.263 -0.126 -11.006 527 HB1 ALA 101 HB1 ALA 101 -9.808 -1.268 -8.883 528 HB2 ALA 101 HB2 ALA 101 -9.178 -2.065 -10.344 529 HB3 ALA 101 HB3 ALA 101 -8.199 -2.029 -8.858 530 H SER 102 HN SER 102 -7.328 2.195 -9.380 531 HA SER 102 HA SER 102 -9.846 3.484 -9.263 532 HB2 SER 102 HB2 SER 102 -9.250 4.301 -6.801 533 HB3 SER 102 HB3 SER 102 -10.171 2.833 -7.062 534 HG SER 102 HG SER 102 -8.310 2.666 -5.538 535 H PHE 103 HN PHE 103 -6.335 3.481 -8.421 536 HA PHE 103 HA PHE 103 -6.010 5.922 -9.901 537 HB2 PHE 103 HB2 PHE 103 -4.658 6.647 -7.627 538 HB3 PHE 103 HB3 PHE 103 -6.326 7.111 -7.900 539 HD1 PHE 103 HD1 PHE 103 -4.858 3.835 -6.879 540 HD2 PHE 103 HD2 PHE 103 -7.374 7.091 -5.839 541 HE1 PHE 103 HE1 PHE 103 -5.535 2.641 -4.778 542 HE2 PHE 103 HE2 PHE 103 -8.050 5.897 -3.738 543 HZ PHE 103 HZ PHE 103 -7.123 3.687 -3.232 544 HA PRO 104 HA PRO 104 -2.732 2.637 -10.270 545 HB2 PRO 104 HB2 PRO 104 -2.736 3.976 -12.979 546 HB3 PRO 104 HB3 PRO 104 -2.697 2.239 -12.532 547 HG2 PRO 104 HG2 PRO 104 -5.023 3.283 -13.426 548 HG3 PRO 104 HG3 PRO 104 -4.931 2.044 -12.132 549 HD2 PRO 104 HD2 PRO 104 -5.299 5.068 -11.946 550 HD3 PRO 104 HD3 PRO 104 -6.098 3.774 -11.001 Start of MODEL 20 1 H ALA 25 HN ALA 25 -9.710 -7.610 -6.085 2 HA ALA 25 HA ALA 25 -11.971 -9.341 -5.965 3 HB1 ALA 25 HB1 ALA 25 -9.914 -9.973 -8.106 4 HB2 ALA 25 HB2 ALA 25 -11.472 -10.778 -7.799 5 HB3 ALA 25 HB3 ALA 25 -11.439 -9.128 -8.465 6 H GLY 26 HN GLY 26 -11.137 -9.504 -3.795 7 HA2 GLY 26 HA1 GLY 26 -10.109 -11.006 -2.362 8 HA3 GLY 26 HA2 GLY 26 -8.952 -11.435 -3.605 9 H GLY 27 HN GLY 27 -7.600 -9.325 -4.399 10 HA2 GLY 27 HA1 GLY 27 -5.827 -8.665 -2.433 11 HA3 GLY 27 HA2 GLY 27 -6.118 -7.711 -3.874 12 H GLY 28 HN GLY 28 -8.951 -7.083 -3.248 13 HA2 GLY 28 HA1 GLY 28 -8.512 -4.758 -1.668 14 HA3 GLY 28 HA2 GLY 28 -10.033 -5.334 -2.322 15 H GLU 29 HN GLU 29 -10.247 -7.903 -1.147 16 HA GLU 29 HA GLU 29 -11.349 -7.276 1.271 17 HB2 GLU 29 HB2 GLU 29 -11.823 -9.319 -0.120 18 HB3 GLU 29 HB3 GLU 29 -10.290 -9.998 0.389 19 HG2 GLU 29 HG2 GLU 29 -11.437 -9.276 2.822 20 HG3 GLU 29 HG3 GLU 29 -12.839 -9.762 1.890 21 HE2 GLU 29 HE2 GLU 29 -10.738 -12.436 3.571 22 H LEU 30 HN LEU 30 -8.004 -7.926 0.414 23 HA LEU 30 HA LEU 30 -7.240 -8.526 3.131 24 HB2 LEU 30 HB2 LEU 30 -5.477 -8.003 0.739 25 HB3 LEU 30 HB3 LEU 30 -5.031 -8.780 2.246 26 HG LEU 30 HG LEU 30 -6.919 -9.877 0.145 27 HD11 LEU 30 HD1 LEU 30 -4.054 -10.044 0.520 28 HD11 LEU 30 HD1 LEU 30 -4.806 -11.655 0.600 29 HD11 LEU 30 HD1 LEU 30 -5.066 -10.622 -0.826 30 HD22 LEU 30 HD2 LEU 30 -7.633 -10.470 2.439 31 HD22 LEU 30 HD2 LEU 30 -7.102 -11.878 1.487 32 HD22 LEU 30 HD2 LEU 30 -6.030 -11.187 2.729 33 H PHE 31 HN PHE 31 -6.958 -5.824 0.751 34 HA PHE 31 HA PHE 31 -5.477 -4.170 2.477 35 HB2 PHE 31 HB2 PHE 31 -5.537 -3.795 0.058 36 HB3 PHE 31 HB3 PHE 31 -7.289 -3.825 0.030 37 HD1 PHE 31 HD1 PHE 31 -4.385 -1.765 0.278 38 HD2 PHE 31 HD2 PHE 31 -8.531 -1.903 1.171 39 HE1 PHE 31 HE1 PHE 31 -4.432 0.738 0.449 40 HE2 PHE 31 HE2 PHE 31 -8.578 0.601 1.342 41 HZ PHE 31 HZ PHE 31 -6.527 1.891 0.979 42 H ALA 32 HN ALA 32 -8.847 -5.078 2.358 43 HA ALA 32 HA ALA 32 -9.650 -2.689 3.821 44 HB1 ALA 32 HB1 ALA 32 -11.763 -3.150 3.080 45 HB2 ALA 32 HB2 ALA 32 -10.884 -4.088 1.849 46 HB3 ALA 32 HB3 ALA 32 -11.563 -4.908 3.276 47 H THR 33 HN THR 33 -7.730 -4.200 5.190 48 HA THR 33 HA THR 33 -9.054 -4.689 7.611 49 HB THR 33 HB THR 33 -8.574 -7.041 5.770 50 HG1 THR 33 HG1 THR 33 -10.383 -6.382 7.986 51 HG22 THR 33 HG2 THR 33 -8.104 -6.948 8.765 52 HG22 THR 33 HG2 THR 33 -8.921 -8.365 8.062 53 HG22 THR 33 HG2 THR 33 -7.277 -7.932 7.534 54 H HIS 34 HN HIS 34 -6.229 -5.269 5.489 55 HA HIS 34 HA HIS 34 -4.553 -5.017 7.871 56 HB2 HIS 34 HB2 HIS 34 -3.799 -6.019 5.113 57 HB3 HIS 34 HB3 HIS 34 -2.779 -6.022 6.538 58 HD1 HIS 34 HD1 HIS 34 -3.471 -7.711 8.502 59 HD2 HIS 34 HD2 HIS 34 -5.541 -8.178 4.883 60 HE1 HIS 34 HE1 HIS 34 -4.594 -10.000 8.611 61 H CYS 35 HN CYS 35 -6.035 -3.035 5.767 62 HA CYS 35 HA CYS 35 -3.831 -1.150 5.881 63 HB2 CYS 35 HB2 CYS 35 -5.383 -1.427 3.318 64 HB3 CYS 35 HB3 CYS 35 -3.913 -0.521 3.620 65 H ALA 36 HN ALA 36 -7.270 -1.858 4.962 66 HA ALA 36 HA ALA 36 -8.388 0.563 4.898 67 HB1 ALA 36 HB1 ALA 36 -9.212 -2.145 5.684 68 HB2 ALA 36 HB2 ALA 36 -10.186 -0.875 6.462 69 HB3 ALA 36 HB3 ALA 36 -10.061 -0.939 4.688 70 H GLY 37 HN GLY 37 -7.014 -1.061 7.755 71 HA2 GLY 37 HA1 GLY 37 -8.106 0.871 9.609 72 HA3 GLY 37 HA2 GLY 37 -6.998 -0.443 9.952 73 H CYS 38 HN CYS 38 -6.750 2.274 7.558 74 HA CYS 38 HA CYS 38 -5.139 3.945 8.950 75 HB2 CYS 38 HB2 CYS 38 -3.671 1.530 8.269 76 HB3 CYS 38 HB3 CYS 38 -2.950 2.932 7.505 77 H HIS 39 HN HIS 39 -5.879 2.190 5.937 78 HA HIS 39 HA HIS 39 -5.489 4.707 4.486 79 HB2 HIS 39 HB2 HIS 39 -5.072 1.843 3.623 80 HB3 HIS 39 HB3 HIS 39 -5.302 3.132 2.458 81 HD1 HIS 39 HD1 HIS 39 -3.533 5.326 3.059 82 HD2 HIS 39 HD2 HIS 39 -2.429 1.415 4.101 83 HE1 HIS 39 HE1 HIS 39 -0.997 5.350 3.339 84 HA PRO 40 HA PRO 40 -9.986 3.478 4.627 85 HB2 PRO 40 HB2 PRO 40 -10.952 5.661 5.904 86 HB3 PRO 40 HB3 PRO 40 -10.130 4.348 6.810 87 HG2 PRO 40 HG2 PRO 40 -8.603 7.057 5.908 88 HG3 PRO 40 HG3 PRO 40 -8.950 6.175 7.431 89 HD2 PRO 40 HD2 PRO 40 -6.734 5.712 5.768 90 HD3 PRO 40 HD3 PRO 40 -7.433 4.485 6.868 91 H GLN 41 HN GLN 41 -11.180 3.960 2.774 92 HA GLN 41 HA GLN 41 -11.566 4.874 0.822 93 HB2 GLN 41 HB2 GLN 41 -12.085 6.907 2.899 94 HB3 GLN 41 HB3 GLN 41 -11.866 7.609 1.309 95 HG2 GLN 41 HG2 GLN 41 -13.546 5.901 0.414 96 HG3 GLN 41 HG3 GLN 41 -13.851 5.418 2.070 97 HE21 GLN 41 HE2 GLN 41 -14.356 7.763 -0.386 98 HE21 GLN 41 HE2 GLN 41 -15.429 8.824 0.464 99 H GLY 42 HN GLY 42 -9.011 4.335 0.633 100 HA2 GLY 42 HA1 GLY 42 -6.981 4.928 -0.152 101 HA3 GLY 42 HA2 GLY 42 -7.893 5.997 -1.198 102 H GLY 43 HN GLY 43 -8.065 6.457 2.310 103 HA2 GLY 43 HA1 GLY 43 -6.533 8.958 1.990 104 HA3 GLY 43 HA2 GLY 43 -7.794 8.659 3.169 105 H ASN 44 HN ASN 44 -6.259 9.345 4.850 106 HA ASN 44 HA ASN 44 -4.798 7.083 5.801 107 HB2 ASN 44 HB2 ASN 44 -3.440 9.283 4.460 108 HB3 ASN 44 HB3 ASN 44 -2.997 9.304 6.155 109 HD21 ASN 44 HD2 ASN 44 -1.172 8.773 4.180 110 HD21 ASN 44 HD2 ASN 44 -0.632 7.129 4.267 111 H THR 45 HN THR 45 -4.628 7.192 8.125 112 HA THR 45 HA THR 45 -5.960 9.527 9.313 113 HB THR 45 HB THR 45 -6.176 7.745 11.247 114 HG1 THR 45 HG1 THR 45 -5.164 5.885 10.608 115 HG22 THR 45 HG2 THR 45 -7.552 7.158 8.574 116 HG22 THR 45 HG2 THR 45 -8.127 6.671 10.186 117 HG22 THR 45 HG2 THR 45 -8.104 8.392 9.732 118 H VAL 46 HN VAL 46 -2.901 8.504 8.612 119 HA VAL 46 HA VAL 46 -1.863 9.497 11.174 120 HB VAL 46 HB VAL 46 -0.587 7.751 9.059 121 HG11 VAL 46 HG1 VAL 46 1.238 8.888 9.918 122 HG11 VAL 46 HG1 VAL 46 0.501 9.078 11.527 123 HG11 VAL 46 HG1 VAL 46 1.138 7.495 11.021 124 HG22 VAL 46 HG2 VAL 46 -2.398 6.758 10.581 125 HG22 VAL 46 HG2 VAL 46 -0.823 5.929 10.538 126 HG22 VAL 46 HG2 VAL 46 -1.237 6.984 11.911 127 H HIS 47 HN HIS 47 -1.197 9.495 7.598 128 HA HIS 47 HA HIS 47 -0.206 12.228 7.973 129 HB2 HIS 47 HB2 HIS 47 0.702 10.057 6.071 130 HB3 HIS 47 HB3 HIS 47 1.135 11.743 5.865 131 HD1 HIS 47 HD1 HIS 47 3.559 10.240 6.192 132 HD2 HIS 47 HD2 HIS 47 1.285 11.259 9.566 133 HE1 HIS 47 HE1 HIS 47 5.136 10.083 8.191 134 HA PRO 48 HA PRO 48 -3.697 13.060 5.338 135 HB2 PRO 48 HB2 PRO 48 -4.020 15.640 5.966 136 HB3 PRO 48 HB3 PRO 48 -4.240 14.390 7.234 137 HG2 PRO 48 HG2 PRO 48 -1.884 15.905 6.581 138 HG3 PRO 48 HG3 PRO 48 -2.374 15.831 8.305 139 HD2 PRO 48 HD2 PRO 48 -0.391 14.245 7.382 140 HD3 PRO 48 HD3 PRO 48 -1.625 13.557 8.481 141 H GLU 49 HN GLU 49 -0.536 13.301 4.692 142 HA GLU 49 HA GLU 49 -1.061 15.011 2.397 143 HB2 GLU 49 HB2 GLU 49 1.261 15.906 2.563 144 HB3 GLU 49 HB3 GLU 49 0.278 16.347 3.945 145 HG2 GLU 49 HG2 GLU 49 1.389 14.852 5.394 146 HG3 GLU 49 HG3 GLU 49 1.919 13.811 4.088 147 HE2 GLU 49 HE2 GLU 49 4.064 14.834 5.764 148 H LYS 50 HN LYS 50 -0.638 11.955 3.374 149 HA LYS 50 HA LYS 50 0.954 11.286 1.004 150 HB2 LYS 50 HB2 LYS 50 1.142 9.833 3.657 151 HB3 LYS 50 HB3 LYS 50 2.064 9.507 2.203 152 HG2 LYS 50 HG2 LYS 50 2.354 12.314 2.846 153 HG3 LYS 50 HG3 LYS 50 2.661 11.385 4.300 154 HD2 LYS 50 HD2 LYS 50 4.641 10.589 3.499 155 HD3 LYS 50 HD3 LYS 50 3.930 10.139 1.962 156 HE2 LYS 50 HE2 LYS 50 4.068 13.040 2.131 157 HE3 LYS 50 HE3 LYS 50 5.641 12.368 2.513 158 HZ1 LYS 50 HZ1 LYS 50 4.338 11.143 0.230 159 HZ2 LYS 50 HZ2 LYS 50 4.744 12.705 0.007 160 H THR 51 HN THR 51 -1.204 11.193 -0.011 161 HA THR 51 HA THR 51 -2.907 9.032 0.957 162 HB THR 51 HB THR 51 -4.465 9.986 -0.781 163 HG1 THR 51 HG1 THR 51 -2.306 10.700 -1.944 164 HG22 THR 51 HG2 THR 51 -3.935 11.151 1.615 165 HG22 THR 51 HG2 THR 51 -3.335 12.443 0.548 166 HG22 THR 51 HG2 THR 51 -5.027 11.904 0.428 167 H LEU 52 HN LEU 52 -4.030 8.137 -1.433 168 HA LEU 52 HA LEU 52 -1.722 6.706 -2.545 169 HB2 LEU 52 HB2 LEU 52 -4.614 5.850 -2.380 170 HB3 LEU 52 HB3 LEU 52 -3.296 4.911 -3.052 171 HG LEU 52 HG LEU 52 -3.532 5.769 -0.154 172 HD11 LEU 52 HD1 LEU 52 -4.230 3.594 0.387 173 HD11 LEU 52 HD1 LEU 52 -5.203 4.048 -1.033 174 HD11 LEU 52 HD1 LEU 52 -3.807 2.960 -1.221 175 HD22 LEU 52 HD2 LEU 52 -1.561 3.829 -1.386 176 HD22 LEU 52 HD2 LEU 52 -1.196 5.531 -1.018 177 HD22 LEU 52 HD2 LEU 52 -1.617 4.408 0.296 178 H ALA 53 HN ALA 53 -2.645 9.420 -3.333 179 HA ALA 53 HA ALA 53 -3.921 8.929 -5.897 180 HB1 ALA 53 HB1 ALA 53 -3.822 11.060 -3.984 181 HB2 ALA 53 HB2 ALA 53 -3.135 11.660 -5.512 182 HB3 ALA 53 HB3 ALA 53 -4.773 10.964 -5.485 183 H ARG 54 HN ARG 54 -2.848 8.879 -7.832 184 HA ARG 54 HA ARG 54 -0.202 8.407 -7.932 185 HB2 ARG 54 HB2 ARG 54 -1.895 8.049 -9.785 186 HB3 ARG 54 HB3 ARG 54 -1.851 9.768 -10.123 187 HG2 ARG 54 HG2 ARG 54 0.823 9.249 -10.213 188 HG3 ARG 54 HG3 ARG 54 0.223 7.667 -10.670 189 HD2 ARG 54 HD2 ARG 54 -0.481 8.395 -12.726 190 HD3 ARG 54 HD3 ARG 54 -1.191 9.857 -12.070 191 HE ARG 54 HE ARG 54 1.747 9.870 -12.087 192 H ALA 55 HN ALA 55 -1.907 11.559 -8.532 193 HA ALA 55 HA ALA 55 0.122 13.152 -9.283 194 HB1 ALA 55 HB1 ALA 55 -1.206 14.785 -7.533 195 HB2 ALA 55 HB2 ALA 55 -1.803 14.360 -9.155 196 HB3 ALA 55 HB3 ALA 55 -2.386 13.468 -7.729 197 H ARG 56 HN ARG 56 -0.422 11.713 -6.065 198 HA ARG 56 HA ARG 56 1.759 13.272 -5.014 199 HB2 ARG 56 HB2 ARG 56 -0.440 11.577 -3.881 200 HB3 ARG 56 HB3 ARG 56 1.057 11.573 -2.970 201 HG2 ARG 56 HG2 ARG 56 -0.329 13.375 -2.109 202 HG3 ARG 56 HG3 ARG 56 1.021 14.098 -2.960 203 HD2 ARG 56 HD2 ARG 56 -0.353 14.582 -4.911 204 HD3 ARG 56 HD3 ARG 56 -1.673 13.602 -4.306 205 HE ARG 56 HE ARG 56 -1.139 16.347 -3.608 206 H ARG 57 HN ARG 57 0.806 9.861 -5.733 207 HA ARG 57 HA ARG 57 3.119 8.723 -4.705 208 HB2 ARG 57 HB2 ARG 57 1.360 7.669 -6.976 209 HB3 ARG 57 HB3 ARG 57 2.423 6.706 -5.969 210 HG2 ARG 57 HG2 ARG 57 0.303 8.393 -4.627 211 HG3 ARG 57 HG3 ARG 57 -0.187 6.907 -5.418 212 HD2 ARG 57 HD2 ARG 57 0.338 6.539 -3.003 213 HD3 ARG 57 HD3 ARG 57 1.386 5.595 -4.043 214 HE ARG 57 HE ARG 57 3.204 6.801 -3.221 215 H GLU 58 HN GLU 58 2.710 10.816 -7.332 216 HA GLU 58 HA GLU 58 4.641 9.542 -9.027 217 HB2 GLU 58 HB2 GLU 58 3.974 11.044 -10.658 218 HB3 GLU 58 HB3 GLU 58 2.533 11.044 -9.662 219 HG2 GLU 58 HG2 GLU 58 3.314 13.077 -8.475 220 HG3 GLU 58 HG3 GLU 58 4.815 13.056 -9.380 221 HE2 GLU 58 HE2 GLU 58 3.860 15.282 -10.139 222 H ALA 59 HN ALA 59 4.357 12.528 -6.994 223 HA ALA 59 HA ALA 59 6.817 13.622 -7.520 224 HB1 ALA 59 HB1 ALA 59 6.552 14.653 -5.250 225 HB2 ALA 59 HB2 ALA 59 5.084 14.764 -6.251 226 HB3 ALA 59 HB3 ALA 59 5.186 13.552 -4.951 227 H ASN 60 HN ASN 60 5.910 11.127 -5.052 228 HA ASN 60 HA ASN 60 8.614 10.894 -4.226 229 HB2 ASN 60 HB2 ASN 60 6.012 9.457 -3.600 230 HB3 ASN 60 HB3 ASN 60 7.523 8.735 -3.086 231 HD21 ASN 60 HD2 ASN 60 6.453 12.119 -3.343 232 HD21 ASN 60 HD2 ASN 60 6.713 12.560 -1.688 233 H GLY 61 HN GLY 61 6.236 9.108 -6.272 234 HA2 GLY 61 HA1 GLY 61 6.819 7.865 -8.150 235 HA3 GLY 61 HA2 GLY 61 8.443 7.652 -7.529 236 H ILE 62 HN ILE 62 5.000 6.706 -7.008 237 HA ILE 62 HA ILE 62 5.956 4.078 -6.205 238 HB ILE 62 HB ILE 62 3.983 5.666 -4.559 239 HG12 ILE 62 HG1 ILE 62 6.925 5.133 -4.219 240 HG13 ILE 62 HG1 ILE 62 6.048 6.641 -4.058 241 HG22 ILE 62 HG2 ILE 62 5.141 3.237 -3.410 242 HG22 ILE 62 HG2 ILE 62 3.450 3.789 -3.475 243 HG22 ILE 62 HG2 ILE 62 4.159 2.931 -4.863 244 HD11 ILE 62 HD1 ILE 62 6.161 6.201 -1.816 245 HD11 ILE 62 HD1 ILE 62 4.790 5.113 -2.138 246 HD11 ILE 62 HD1 ILE 62 6.446 4.464 -2.076 247 H ARG 63 HN ARG 63 5.155 4.404 -8.688 248 HA ARG 63 HA ARG 63 2.331 3.696 -8.622 249 HB2 ARG 63 HB2 ARG 63 3.757 4.699 -11.113 250 HB3 ARG 63 HB3 ARG 63 2.038 4.711 -10.770 251 HG2 ARG 63 HG2 ARG 63 2.225 6.816 -9.954 252 HG3 ARG 63 HG3 ARG 63 3.268 6.221 -8.677 253 HD2 ARG 63 HD2 ARG 63 4.391 6.773 -11.449 254 HD3 ARG 63 HD3 ARG 63 4.188 8.077 -10.296 255 HE ARG 63 HE ARG 63 5.528 6.261 -8.772 256 H THR 64 HN THR 64 3.725 1.558 -8.021 257 HA THR 64 HA THR 64 3.706 -0.029 -10.437 258 HB THR 64 HB THR 64 6.062 -0.867 -9.940 259 HG1 THR 64 HG1 THR 64 7.184 0.896 -8.551 260 HG22 THR 64 HG2 THR 64 7.230 0.976 -10.954 261 HG22 THR 64 HG2 THR 64 5.576 1.082 -11.605 262 HG22 THR 64 HG2 THR 64 6.085 2.164 -10.287 263 H VAL 65 HN VAL 65 3.324 -2.219 -10.066 264 HA VAL 65 HA VAL 65 1.944 -2.797 -7.720 265 HB VAL 65 HB VAL 65 3.080 -4.421 -9.979 266 HG11 VAL 65 HG1 VAL 65 2.020 -6.423 -9.116 267 HG11 VAL 65 HG1 VAL 65 3.181 -5.809 -7.916 268 HG11 VAL 65 HG1 VAL 65 1.436 -5.541 -7.685 269 HG22 VAL 65 HG2 VAL 65 1.107 -4.025 -10.941 270 HG22 VAL 65 HG2 VAL 65 0.234 -4.638 -9.516 271 HG22 VAL 65 HG2 VAL 65 0.720 -2.927 -9.595 272 H ARG 66 HN ARG 66 5.259 -3.802 -8.812 273 HA ARG 66 HA ARG 66 5.954 -5.326 -6.739 274 HB2 ARG 66 HB2 ARG 66 7.531 -3.324 -8.390 275 HB3 ARG 66 HB3 ARG 66 8.339 -4.203 -7.107 276 HG2 ARG 66 HG2 ARG 66 6.666 -5.711 -9.138 277 HG3 ARG 66 HG3 ARG 66 8.290 -5.204 -9.558 278 HD2 ARG 66 HD2 ARG 66 9.001 -6.325 -7.288 279 HD3 ARG 66 HD3 ARG 66 7.433 -7.106 -7.344 280 HE ARG 66 HE ARG 66 9.731 -7.766 -8.972 281 H ASP 67 HN ASP 67 6.767 -1.772 -6.930 282 HA ASP 67 HA ASP 67 7.779 -1.321 -4.566 283 HB2 ASP 67 HB2 ASP 67 5.654 0.264 -6.053 284 HB3 ASP 67 HB3 ASP 67 6.345 0.883 -4.567 285 HD2 ASP 67 HD2 ASP 67 8.056 2.656 -5.875 286 H VAL 68 HN VAL 68 4.252 -1.734 -5.285 287 HA VAL 68 HA VAL 68 3.560 -1.444 -2.498 288 HB VAL 68 HB VAL 68 1.864 -2.218 -4.878 289 HG11 VAL 68 HG1 VAL 68 0.766 -2.782 -2.812 290 HG11 VAL 68 HG1 VAL 68 1.169 -1.199 -2.105 291 HG11 VAL 68 HG1 VAL 68 0.012 -1.303 -3.454 292 HG22 VAL 68 HG2 VAL 68 1.220 0.152 -4.996 293 HG22 VAL 68 HG2 VAL 68 2.382 0.535 -3.703 294 HG22 VAL 68 HG2 VAL 68 2.965 -0.062 -5.276 295 H ALA 69 HN ALA 69 5.405 -3.406 -2.528 296 HA ALA 69 HA ALA 69 3.927 -5.630 -1.588 297 HB1 ALA 69 HB1 ALA 69 3.962 -5.806 -4.208 298 HB2 ALA 69 HB2 ALA 69 5.657 -6.292 -3.971 299 HB3 ALA 69 HB3 ALA 69 4.347 -7.241 -3.229 300 H ALA 70 HN ALA 70 7.034 -4.282 -2.822 301 HA ALA 70 HA ALA 70 8.592 -5.967 -1.114 302 HB1 ALA 70 HB1 ALA 70 9.828 -3.509 -2.183 303 HB2 ALA 70 HB2 ALA 70 10.304 -5.212 -2.391 304 HB3 ALA 70 HB3 ALA 70 9.031 -4.511 -3.420 305 H TYR 71 HN TYR 71 8.181 -2.407 -1.312 306 HA TYR 71 HA TYR 71 9.311 -1.669 1.086 307 HB2 TYR 71 HB2 TYR 71 7.297 -0.594 -0.757 308 HB3 TYR 71 HB3 TYR 71 7.077 -0.034 0.909 309 HD1 TYR 71 HD1 TYR 71 7.755 2.215 0.802 310 HD2 TYR 71 HD2 TYR 71 10.280 -0.850 -0.837 311 HE1 TYR 71 HE1 TYR 71 9.567 3.878 0.483 312 HE2 TYR 71 HE2 TYR 71 12.091 0.813 -1.156 313 HH TYR 71 HH TYR 71 12.804 2.965 -0.660 314 H ILE 72 HN ILE 72 5.776 -2.507 0.618 315 HA ILE 72 HA ILE 72 4.903 -2.213 3.130 316 HB ILE 72 HB ILE 72 3.364 -4.107 2.671 317 HG12 ILE 72 HG1 ILE 72 4.538 -4.411 -0.063 318 HG13 ILE 72 HG1 ILE 72 5.307 -5.263 1.260 319 HG22 ILE 72 HG2 ILE 72 3.570 -1.614 1.428 320 HG22 ILE 72 HG2 ILE 72 3.192 -2.753 0.113 321 HG22 ILE 72 HG2 ILE 72 2.128 -2.651 1.536 322 HD11 ILE 72 HD1 ILE 72 2.692 -5.842 1.810 323 HD11 ILE 72 HD1 ILE 72 2.619 -5.686 0.038 324 HD11 ILE 72 HD1 ILE 72 3.728 -6.862 0.783 325 H ARG 73 HN ARG 73 7.063 -4.794 1.914 326 HA ARG 73 HA ARG 73 6.884 -6.397 4.163 327 HB2 ARG 73 HB2 ARG 73 7.909 -6.971 1.879 328 HB3 ARG 73 HB3 ARG 73 9.326 -6.057 2.354 329 HG2 ARG 73 HG2 ARG 73 10.086 -7.718 3.728 330 HG3 ARG 73 HG3 ARG 73 8.502 -7.989 4.429 331 HD2 ARG 73 HD2 ARG 73 8.336 -9.896 3.209 332 HD3 ARG 73 HD3 ARG 73 8.288 -8.924 1.752 333 HE ARG 73 HE ARG 73 10.970 -9.008 2.213 334 H ASN 74 HN ASN 74 9.453 -4.009 3.163 335 HA ASN 74 HA ASN 74 9.983 -3.654 6.005 336 HB2 ASN 74 HB2 ASN 74 11.768 -4.955 4.525 337 HB3 ASN 74 HB3 ASN 74 12.160 -3.366 3.900 338 HD21 ASN 74 HD2 ASN 74 12.295 -1.635 5.708 339 HD21 ASN 74 HD2 ASN 74 13.277 -2.042 7.075 340 HA PRO 75 HA PRO 75 9.127 0.371 3.855 341 HB2 PRO 75 HB2 PRO 75 6.947 1.135 5.277 342 HB3 PRO 75 HB3 PRO 75 6.830 -0.108 3.989 343 HG2 PRO 75 HG2 PRO 75 6.960 -0.485 6.881 344 HG3 PRO 75 HG3 PRO 75 5.938 -1.393 5.719 345 HD2 PRO 75 HD2 PRO 75 8.374 -2.303 6.798 346 HD3 PRO 75 HD3 PRO 75 7.688 -2.868 5.245 347 H GLY 76 HN GLY 76 8.849 2.660 5.071 348 HA2 GLY 76 HA1 GLY 76 10.866 2.635 7.180 349 HA3 GLY 76 HA2 GLY 76 10.272 4.018 6.284 350 HA PRO 77 HA PRO 77 8.561 3.951 10.677 351 HB2 PRO 77 HB2 PRO 77 9.208 6.865 10.220 352 HB3 PRO 77 HB3 PRO 77 9.496 5.813 11.643 353 HG2 PRO 77 HG2 PRO 77 11.586 6.476 9.983 354 HG3 PRO 77 HG3 PRO 77 11.268 4.943 10.859 355 HD2 PRO 77 HD2 PRO 77 10.785 5.673 7.926 356 HD3 PRO 77 HD3 PRO 77 11.505 4.183 8.608 357 H GLY 78 HN GLY 78 6.470 4.898 11.340 358 HA2 GLY 78 HA1 GLY 78 4.584 6.203 10.946 359 HA3 GLY 78 HA2 GLY 78 5.075 6.445 9.282 360 H MET 79 HN MET 79 5.712 3.596 8.744 361 HA MET 79 HA MET 79 2.987 2.550 8.848 362 HB2 MET 79 HB2 MET 79 4.103 3.385 6.566 363 HB3 MET 79 HB3 MET 79 4.983 1.872 6.648 364 HG2 MET 79 HG2 MET 79 2.981 0.559 6.516 365 HG3 MET 79 HG3 MET 79 1.956 1.914 6.945 366 HE1 MET 79 HE1 MET 79 4.207 0.384 3.921 367 HE2 MET 79 HE2 MET 79 2.698 -0.345 4.520 368 HE3 MET 79 HE3 MET 79 2.740 0.420 2.914 369 HA PRO 80 HA PRO 80 4.630 -0.843 11.113 370 HB2 PRO 80 HB2 PRO 80 2.388 -2.331 9.748 371 HB3 PRO 80 HB3 PRO 80 2.767 -2.128 11.490 372 HG2 PRO 80 HG2 PRO 80 0.697 -0.735 10.339 373 HG3 PRO 80 HG3 PRO 80 1.828 -0.253 11.645 374 HD2 PRO 80 HD2 PRO 80 1.828 0.466 8.672 375 HD3 PRO 80 HD3 PRO 80 2.112 1.528 10.085 376 H ALA 81 HN ALA 81 3.985 -3.577 9.854 377 HA ALA 81 HA ALA 81 5.520 -3.466 7.402 378 HB1 ALA 81 HB1 ALA 81 7.372 -4.670 8.150 379 HB2 ALA 81 HB2 ALA 81 7.056 -3.601 9.538 380 HB3 ALA 81 HB3 ALA 81 6.518 -5.297 9.580 381 H PHE 82 HN PHE 82 5.684 -5.794 6.471 382 HA PHE 82 HA PHE 82 3.649 -7.573 7.483 383 HB2 PHE 82 HB2 PHE 82 3.624 -6.257 4.699 384 HB3 PHE 82 HB3 PHE 82 2.556 -7.567 5.166 385 HD1 PHE 82 HD1 PHE 82 0.622 -7.164 6.522 386 HD2 PHE 82 HD2 PHE 82 3.348 -4.015 5.708 387 HE1 PHE 82 HE1 PHE 82 -1.046 -5.498 7.384 388 HE2 PHE 82 HE2 PHE 82 1.681 -2.349 6.570 389 HZ PHE 82 HZ PHE 82 -0.496 -3.110 7.398 390 H GLY 83 HN GLY 83 4.941 -9.368 7.648 391 HA2 GLY 83 HA1 GLY 83 6.792 -9.948 5.438 392 HA3 GLY 83 HA2 GLY 83 6.840 -10.619 7.056 393 H GLU 84 HN GLU 84 7.041 -12.678 5.659 394 HA GLU 84 HA GLU 84 4.654 -13.507 4.365 395 HB2 GLU 84 HB2 GLU 84 5.872 -15.584 3.924 396 HB3 GLU 84 HB3 GLU 84 6.918 -14.215 3.603 397 HG2 GLU 84 HG2 GLU 84 7.342 -14.765 6.338 398 HG3 GLU 84 HG3 GLU 84 7.207 -16.352 5.606 399 HE2 GLU 84 HE2 GLU 84 10.272 -13.974 4.570 400 H ALA 85 HN ALA 85 5.241 -13.015 7.543 401 HA ALA 85 HA ALA 85 4.581 -15.455 8.757 402 HB1 ALA 85 HB1 ALA 85 5.346 -14.094 10.392 403 HB2 ALA 85 HB2 ALA 85 4.922 -12.624 9.483 404 HB3 ALA 85 HB3 ALA 85 3.687 -13.453 10.461 405 H MET 86 HN MET 86 2.621 -12.688 7.531 406 HA MET 86 HA MET 86 0.275 -14.357 8.021 407 HB2 MET 86 HB2 MET 86 0.563 -12.040 9.219 408 HB3 MET 86 HB3 MET 86 0.304 -11.320 7.643 409 HG2 MET 86 HG2 MET 86 -1.925 -12.244 7.472 410 HG3 MET 86 HG3 MET 86 -1.659 -13.334 8.818 411 HE1 MET 86 HE1 MET 86 -1.942 -11.808 11.832 412 HE2 MET 86 HE2 MET 86 -0.627 -12.517 10.866 413 HE3 MET 86 HE3 MET 86 -0.527 -10.821 11.396 414 H ILE 87 HN ILE 87 1.612 -11.774 5.836 415 HA ILE 87 HA ILE 87 0.092 -13.042 3.665 416 HB ILE 87 HB ILE 87 0.946 -10.156 3.899 417 HG12 ILE 87 HG1 ILE 87 -1.513 -11.587 4.786 418 HG13 ILE 87 HG1 ILE 87 -0.703 -10.198 5.484 419 HG22 ILE 87 HG2 ILE 87 -0.180 -9.742 1.903 420 HG22 ILE 87 HG2 ILE 87 0.669 -11.275 1.592 421 HG22 ILE 87 HG2 ILE 87 -1.070 -11.282 1.968 422 HD11 ILE 87 HD1 ILE 87 -2.676 -9.270 4.566 423 HD11 ILE 87 HD1 ILE 87 -1.453 -8.927 3.319 424 HD11 ILE 87 HD1 ILE 87 -2.583 -10.285 3.106 425 HA PRO 88 HA PRO 88 4.163 -14.111 2.280 426 HB2 PRO 88 HB2 PRO 88 3.350 -15.602 0.142 427 HB3 PRO 88 HB3 PRO 88 3.130 -16.161 1.832 428 HG2 PRO 88 HG2 PRO 88 1.429 -14.789 0.118 429 HG3 PRO 88 HG3 PRO 88 0.749 -16.225 0.949 430 HD2 PRO 88 HD2 PRO 88 0.105 -13.852 1.914 431 HD3 PRO 88 HD3 PRO 88 0.777 -15.030 3.083 432 HA PRO 89 HA PRO 89 5.157 -10.793 -0.433 433 HB2 PRO 89 HB2 PRO 89 6.785 -12.943 -1.831 434 HB3 PRO 89 HB3 PRO 89 7.244 -11.293 -1.299 435 HG2 PRO 89 HG2 PRO 89 7.967 -13.503 0.297 436 HG3 PRO 89 HG3 PRO 89 7.482 -11.806 0.622 437 HD2 PRO 89 HD2 PRO 89 5.914 -14.403 0.936 438 HD3 PRO 89 HD3 PRO 89 5.928 -12.957 1.992 439 H ALA 90 HN ALA 90 4.552 -14.073 -1.940 440 HA ALA 90 HA ALA 90 3.862 -13.098 -4.443 441 HB1 ALA 90 HB1 ALA 90 3.385 -15.594 -2.851 442 HB2 ALA 90 HB2 ALA 90 2.422 -15.352 -4.328 443 HB3 ALA 90 HB3 ALA 90 4.200 -15.380 -4.418 444 H ASP 91 HN ASP 91 1.904 -13.611 -1.457 445 HA ASP 91 HA ASP 91 -0.522 -13.002 -2.693 446 HB2 ASP 91 HB2 ASP 91 0.475 -13.027 0.174 447 HB3 ASP 91 HB3 ASP 91 -1.141 -12.449 -0.181 448 HD2 ASP 91 HD2 ASP 91 -0.945 -15.847 -1.870 449 H ALA 92 HN ALA 92 2.231 -11.112 -1.903 450 HA ALA 92 HA ALA 92 0.808 -8.704 -1.215 451 HB1 ALA 92 HB1 ALA 92 3.153 -9.515 -0.417 452 HB2 ALA 92 HB2 ALA 92 3.724 -8.908 -1.989 453 HB3 ALA 92 HB3 ALA 92 2.945 -7.798 -0.837 454 H LEU 93 HN LEU 93 2.428 -10.199 -4.052 455 HA LEU 93 HA LEU 93 2.364 -7.932 -5.683 456 HB2 LEU 93 HB2 LEU 93 2.384 -10.884 -6.314 457 HB3 LEU 93 HB3 LEU 93 2.537 -9.630 -7.529 458 HG LEU 93 HG LEU 93 4.436 -9.895 -5.186 459 HD11 LEU 93 HD1 LEU 93 4.685 -11.069 -7.968 460 HD11 LEU 93 HD1 LEU 93 6.003 -10.970 -6.776 461 HD11 LEU 93 HD1 LEU 93 4.564 -11.958 -6.431 462 HD22 LEU 93 HD2 LEU 93 5.790 -8.710 -7.258 463 HD22 LEU 93 HD2 LEU 93 4.154 -8.034 -7.438 464 HD22 LEU 93 HD2 LEU 93 5.025 -7.858 -5.896 465 H LYS 94 HN LYS 94 -0.173 -9.842 -4.372 466 HA LYS 94 HA LYS 94 -1.970 -9.333 -6.583 467 HB2 LYS 94 HB2 LYS 94 -2.221 -11.468 -5.598 468 HB3 LYS 94 HB3 LYS 94 -2.193 -10.826 -3.969 469 HG2 LYS 94 HG2 LYS 94 -4.322 -9.479 -5.336 470 HG3 LYS 94 HG3 LYS 94 -4.467 -11.177 -5.742 471 HD2 LYS 94 HD2 LYS 94 -4.035 -10.294 -2.864 472 HD3 LYS 94 HD3 LYS 94 -5.640 -10.314 -3.566 473 HE2 LYS 94 HE2 LYS 94 -5.405 -12.453 -2.525 474 HE3 LYS 94 HE3 LYS 94 -5.185 -12.765 -4.235 475 HZ1 LYS 94 HZ1 LYS 94 -2.810 -12.175 -2.600 476 HZ2 LYS 94 HZ2 LYS 94 -3.455 -13.669 -2.526 477 H ILE 95 HN ILE 95 -1.082 -8.040 -3.397 478 HA ILE 95 HA ILE 95 -3.416 -6.455 -3.109 479 HB ILE 95 HB ILE 95 -0.699 -6.143 -1.829 480 HG12 ILE 95 HG1 ILE 95 -1.777 -8.445 -1.641 481 HG13 ILE 95 HG1 ILE 95 -1.335 -7.645 -0.146 482 HG22 ILE 95 HG2 ILE 95 -2.424 -5.303 0.035 483 HG22 ILE 95 HG2 ILE 95 -1.711 -4.219 -1.183 484 HG22 ILE 95 HG2 ILE 95 -3.353 -4.864 -1.418 485 HD11 ILE 95 HD1 ILE 95 -3.479 -7.707 0.572 486 HD11 ILE 95 HD1 ILE 95 -4.024 -6.839 -0.883 487 HD11 ILE 95 HD1 ILE 95 -3.906 -8.615 -0.899 488 H GLY 96 HN GLY 96 -0.028 -5.796 -4.220 489 HA2 GLY 96 HA1 GLY 96 -0.131 -3.128 -4.693 490 HA3 GLY 96 HA2 GLY 96 0.727 -4.273 -5.705 491 H GLU 97 HN GLU 97 -1.892 -5.700 -6.406 492 HA GLU 97 HA GLU 97 -2.394 -4.207 -8.718 493 HB2 GLU 97 HB2 GLU 97 -4.186 -6.411 -7.641 494 HB3 GLU 97 HB3 GLU 97 -3.899 -5.977 -9.314 495 HG2 GLU 97 HG2 GLU 97 -1.404 -6.590 -8.862 496 HG3 GLU 97 HG3 GLU 97 -1.979 -7.344 -7.388 497 HE2 GLU 97 HE2 GLU 97 -2.082 -9.563 -10.460 498 H TYR 98 HN TYR 98 -4.256 -4.864 -5.740 499 HA TYR 98 HA TYR 98 -6.632 -3.541 -6.324 500 HB2 TYR 98 HB2 TYR 98 -6.112 -4.894 -4.291 501 HB3 TYR 98 HB3 TYR 98 -5.144 -3.543 -3.677 502 HD1 TYR 98 HD1 TYR 98 -8.599 -4.263 -4.972 503 HD2 TYR 98 HD2 TYR 98 -6.149 -2.012 -2.255 504 HE1 TYR 98 HE1 TYR 98 -10.633 -3.265 -3.963 505 HE2 TYR 98 HE2 TYR 98 -8.183 -1.015 -1.247 506 HH TYR 98 HH TYR 98 -10.629 -0.568 -1.952 507 H VAL 99 HN VAL 99 -3.406 -2.168 -5.618 508 HA VAL 99 HA VAL 99 -4.588 0.472 -5.331 509 HB VAL 99 HB VAL 99 -1.778 -0.611 -5.092 510 HG11 VAL 99 HG1 VAL 99 -1.557 1.845 -4.024 511 HG11 VAL 99 HG1 VAL 99 -1.204 1.498 -5.734 512 HG11 VAL 99 HG1 VAL 99 -2.778 2.190 -5.273 513 HG22 VAL 99 HG2 VAL 99 -2.452 -1.104 -3.019 514 HG22 VAL 99 HG2 VAL 99 -2.563 0.647 -2.719 515 HG22 VAL 99 HG2 VAL 99 -4.001 -0.257 -3.249 516 H VAL 100 HN VAL 100 -4.731 -1.179 -7.874 517 HA VAL 100 HA VAL 100 -3.572 0.886 -9.588 518 HB VAL 100 HB VAL 100 -3.266 -2.104 -9.915 519 HG11 VAL 100 HG1 VAL 100 -3.219 0.091 -11.898 520 HG11 VAL 100 HG1 VAL 100 -1.824 -1.014 -11.958 521 HG11 VAL 100 HG1 VAL 100 -3.476 -1.657 -12.119 522 HG22 VAL 100 HG2 VAL 100 -1.656 -0.279 -8.579 523 HG22 VAL 100 HG2 VAL 100 -1.158 -1.875 -9.189 524 HG22 VAL 100 HG2 VAL 100 -0.887 -0.420 -10.179 525 H ALA 101 HN ALA 101 -6.285 -0.314 -8.369 526 HA ALA 101 HA ALA 101 -7.661 -0.406 -10.966 527 HB1 ALA 101 HB1 ALA 101 -8.173 -2.458 -10.042 528 HB2 ALA 101 HB2 ALA 101 -8.016 -1.868 -8.370 529 HB3 ALA 101 HB3 ALA 101 -9.472 -1.480 -9.318 530 H SER 102 HN SER 102 -7.200 1.225 -7.894 531 HA SER 102 HA SER 102 -9.584 2.807 -8.420 532 HB2 SER 102 HB2 SER 102 -9.067 3.672 -6.021 533 HB3 SER 102 HB3 SER 102 -9.709 2.050 -6.193 534 HG SER 102 HG SER 102 -7.838 1.181 -5.529 535 H PHE 103 HN PHE 103 -6.180 2.742 -8.786 536 HA PHE 103 HA PHE 103 -6.005 5.216 -9.948 537 HB2 PHE 103 HB2 PHE 103 -4.460 6.035 -7.802 538 HB3 PHE 103 HB3 PHE 103 -6.131 6.521 -8.012 539 HD1 PHE 103 HD1 PHE 103 -4.473 3.398 -6.789 540 HD2 PHE 103 HD2 PHE 103 -7.272 6.492 -6.020 541 HE1 PHE 103 HE1 PHE 103 -5.061 2.321 -4.600 542 HE2 PHE 103 HE2 PHE 103 -7.861 5.416 -3.830 543 HZ PHE 103 HZ PHE 103 -6.748 3.342 -3.146 544 HA PRO 104 HA PRO 104 -2.594 2.244 -10.663 545 HB2 PRO 104 HB2 PRO 104 -2.762 3.719 -13.289 546 HB3 PRO 104 HB3 PRO 104 -2.690 1.962 -12.938 547 HG2 PRO 104 HG2 PRO 104 -4.993 3.192 -13.719 548 HG3 PRO 104 HG3 PRO 104 -5.009 1.834 -12.546 549 HD2 PRO 104 HD2 PRO 104 -5.149 4.846 -12.081 550 HD3 PRO 104 HD3 PRO 104 -6.036 3.533 -11.248
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