NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550634 | 2lze | 18749 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 76.845 -18.977 33.219 2 H2 MET 1 HT2 MET 1 77.624 -20.487 33.182 3 H3 MET 1 HT3 MET 1 77.472 -19.643 34.648 4 HA MET 1 HA MET 1 75.828 -21.260 34.791 5 HB2 MET 1 HB2 MET 1 74.624 -18.717 33.644 6 HB3 MET 1 HB1 MET 1 73.677 -19.975 34.423 7 HG2 MET 1 HG2 MET 1 74.870 -19.642 36.535 8 HG3 MET 1 HG1 MET 1 75.947 -18.472 35.776 9 HE1 MET 1 HE1 MET 1 74.038 -15.272 35.502 10 HE2 MET 1 HE2 MET 1 75.082 -16.325 34.558 11 HE3 MET 1 HE3 MET 1 75.508 -15.934 36.223 12 H GLY 2 HN GLY 2 76.248 -19.935 31.597 13 HA2 GLY 2 HA2 GLY 2 76.001 -20.945 29.531 14 HA3 GLY 2 HA1 GLY 2 75.460 -22.409 30.344 15 H ALA 3 HN ALA 3 73.798 -19.643 31.378 16 HA ALA 3 HA ALA 3 71.319 -20.570 30.349 17 HB1 ALA 3 HB1 ALA 3 72.158 -18.650 32.262 18 HB2 ALA 3 HB2 ALA 3 70.536 -19.281 31.981 19 HB3 ALA 3 HB3 ALA 3 71.080 -17.839 31.125 20 HA PRO 4 HA PRO 4 71.538 -16.773 27.312 21 HB2 PRO 4 HB2 PRO 4 74.414 -16.624 26.659 22 HB3 PRO 4 HB1 PRO 4 73.260 -15.315 26.972 23 HG2 PRO 4 HG2 PRO 4 75.200 -15.989 28.701 24 HG3 PRO 4 HG1 PRO 4 73.633 -15.345 29.216 25 HD2 PRO 4 HD2 PRO 4 74.647 -18.151 29.329 26 HD3 PRO 4 HD1 PRO 4 73.566 -17.285 30.438 27 H VAL 5 HN VAL 5 71.318 -17.145 25.105 28 HA VAL 5 HA VAL 5 72.771 -19.321 23.826 29 HB VAL 5 HB VAL 5 70.268 -19.868 22.902 30 HG11 VAL 5 HG11 VAL 5 71.612 -21.050 25.347 31 HG12 VAL 5 HG12 VAL 5 71.680 -21.651 23.685 32 HG13 VAL 5 HG13 VAL 5 70.177 -21.741 24.597 33 HG21 VAL 5 HG21 VAL 5 69.306 -18.196 24.568 34 HG22 VAL 5 HG22 VAL 5 69.773 -19.338 25.840 35 HG23 VAL 5 HG23 VAL 5 68.617 -19.814 24.605 36 HA PRO 6 HA PRO 6 72.661 -16.566 20.228 37 HB2 PRO 6 HB2 PRO 6 71.412 -18.640 18.519 38 HB3 PRO 6 HB1 PRO 6 72.920 -17.744 18.285 39 HG2 PRO 6 HG2 PRO 6 72.793 -20.342 19.024 40 HG3 PRO 6 HG1 PRO 6 74.144 -19.265 19.403 41 HD2 PRO 6 HD2 PRO 6 72.114 -20.397 21.196 42 HD3 PRO 6 HD1 PRO 6 73.696 -19.686 21.563 43 H TYR 7 HN TYR 7 69.806 -18.647 20.555 44 HA TYR 7 HA TYR 7 68.011 -16.984 19.147 45 HB2 TYR 7 HB2 TYR 7 67.893 -19.390 20.836 46 HB3 TYR 7 HB1 TYR 7 66.447 -18.402 20.943 47 HD1 TYR 7 HD1 TYR 7 68.876 -19.667 18.397 48 HD2 TYR 7 HD2 TYR 7 64.734 -18.853 19.247 49 HE1 TYR 7 HE1 TYR 7 68.228 -20.578 16.182 50 HE2 TYR 7 HE2 TYR 7 64.102 -19.751 17.053 51 HH TYR 7 HH TYR 7 66.277 -20.284 14.573 52 HA PRO 8 HA PRO 8 67.247 -13.910 22.357 53 HB2 PRO 8 HB2 PRO 8 64.679 -13.122 21.985 54 HB3 PRO 8 HB1 PRO 8 65.935 -12.793 20.778 55 HG2 PRO 8 HG2 PRO 8 63.951 -15.017 20.860 56 HG3 PRO 8 HG1 PRO 8 64.333 -13.912 19.524 57 HD2 PRO 8 HD2 PRO 8 65.414 -16.380 19.634 58 HD3 PRO 8 HD1 PRO 8 66.335 -14.996 19.014 59 H ASP 9 HN ASP 9 65.439 -13.356 24.126 60 HA ASP 9 HA ASP 9 65.305 -15.641 25.820 61 HB2 ASP 9 HB2 ASP 9 65.072 -12.788 26.053 62 HB3 ASP 9 HB1 ASP 9 63.741 -13.548 26.913 63 HA PRO 10 HA PRO 10 61.094 -17.136 25.071 64 HB2 PRO 10 HB2 PRO 10 60.158 -16.538 27.808 65 HB3 PRO 10 HB1 PRO 10 60.223 -18.089 26.955 66 HG2 PRO 10 HG2 PRO 10 61.887 -17.396 28.965 67 HG3 PRO 10 HG1 PRO 10 62.302 -18.549 27.689 68 HD2 PRO 10 HD2 PRO 10 63.290 -15.802 28.125 69 HD3 PRO 10 HD1 PRO 10 64.013 -17.156 27.235 70 H LEU 11 HN LEU 11 61.418 -14.157 26.881 71 HA LEU 11 HA LEU 11 58.777 -13.191 26.571 72 HB2 LEU 11 HB2 LEU 11 61.405 -11.768 27.014 73 HB3 LEU 11 HB1 LEU 11 59.869 -10.923 27.011 74 HG LEU 11 HG LEU 11 60.514 -13.273 28.858 75 HD11 LEU 11 HD11 LEU 11 62.061 -11.647 29.546 76 HD12 LEU 11 HD12 LEU 11 60.694 -11.424 30.633 77 HD13 LEU 11 HD13 LEU 11 60.932 -10.317 29.285 78 HD21 LEU 11 HD21 LEU 11 58.087 -11.591 28.539 79 HD22 LEU 11 HD22 LEU 11 58.683 -11.686 30.189 80 HD23 LEU 11 HD23 LEU 11 58.292 -13.159 29.311 81 H GLU 12 HN GLU 12 61.707 -12.675 24.687 82 HA GLU 12 HA GLU 12 62.106 -11.365 22.799 83 HB2 GLU 12 HB2 GLU 12 60.992 -12.517 20.786 84 HB3 GLU 12 HB1 GLU 12 62.039 -13.464 21.823 85 HG2 GLU 12 HG2 GLU 12 60.224 -14.557 22.862 86 HG3 GLU 12 HG1 GLU 12 59.047 -13.415 22.237 87 HA PRO 13 HA PRO 13 58.196 -8.687 23.123 88 HB2 PRO 13 HB2 PRO 13 60.203 -6.511 23.022 89 HB3 PRO 13 HB1 PRO 13 58.818 -6.721 24.106 90 HG2 PRO 13 HG2 PRO 13 61.356 -7.071 24.905 91 HG3 PRO 13 HG1 PRO 13 59.996 -7.977 25.587 92 HD2 PRO 13 HD2 PRO 13 62.110 -8.893 23.701 93 HD3 PRO 13 HD1 PRO 13 61.200 -9.800 24.927 94 H ARG 14 HN ARG 14 57.183 -7.756 21.403 95 HA ARG 14 HA ARG 14 58.253 -8.096 18.801 96 HB2 ARG 14 HB2 ARG 14 55.861 -6.539 19.823 97 HB3 ARG 14 HB1 ARG 14 56.236 -6.726 18.113 98 HG2 ARG 14 HG2 ARG 14 55.995 -9.163 18.271 99 HG3 ARG 14 HG1 ARG 14 55.793 -9.065 20.016 100 HD2 ARG 14 HD2 ARG 14 53.908 -7.796 17.997 101 HD3 ARG 14 HD1 ARG 14 53.635 -9.359 18.736 102 HE ARG 14 HE ARG 14 53.230 -6.767 19.945 103 HH11 ARG 14 HH21 ARG 14 53.911 -10.096 20.583 104 HH12 ARG 14 HH22 ARG 14 53.327 -10.036 22.211 105 HH21 ARG 14 HH11 ARG 14 52.465 -6.681 22.059 106 HH22 ARG 14 HH12 ARG 14 52.510 -8.103 23.048 107 H GLY 15 HN GLY 15 57.955 -5.325 20.957 108 HA2 GLY 15 HA2 GLY 15 58.843 -3.373 19.070 109 HA3 GLY 15 HA1 GLY 15 58.765 -3.172 20.817 110 H GLY 16 HN GLY 16 60.866 -2.131 19.334 111 HA2 GLY 16 HA2 GLY 16 63.129 -3.263 20.683 112 HA3 GLY 16 HA1 GLY 16 63.160 -3.605 18.955 113 H LYS 17 HN LYS 17 64.994 -1.952 20.503 114 HA LYS 17 HA LYS 17 64.438 0.800 19.967 115 HB2 LYS 17 HB2 LYS 17 67.057 -0.655 20.409 116 HB3 LYS 17 HB1 LYS 17 66.890 1.094 20.355 117 HG2 LYS 17 HG2 LYS 17 65.404 1.074 22.302 118 HG3 LYS 17 HG1 LYS 17 65.409 -0.683 22.332 119 HD2 LYS 17 HD2 LYS 17 67.817 -0.680 22.841 120 HD3 LYS 17 HD1 LYS 17 67.845 1.078 22.783 121 HE2 LYS 17 HE2 LYS 17 66.271 1.144 24.704 122 HE3 LYS 17 HE1 LYS 17 66.251 -0.621 24.736 123 HZ1 LYS 17 HZ1 LYS 17 68.142 -0.644 25.854 124 HZ2 LYS 17 HZ2 LYS 17 68.032 1.043 26.011 125 HZ3 LYS 17 HZ3 LYS 17 68.908 0.363 24.723 126 H HIS 18 HN HIS 18 66.278 -1.762 18.380 127 HA HIS 18 HA HIS 18 67.250 -0.379 16.228 128 HB2 HIS 18 HB2 HIS 18 67.280 -3.015 16.938 129 HB3 HIS 18 HB1 HIS 18 66.264 -3.063 15.510 130 HD2 HIS 18 HD2 HIS 18 68.199 -0.640 13.935 131 HE1 HIS 18 HE1 HIS 18 71.076 -3.700 14.144 132 H ILE 19 HN ILE 19 64.006 -1.579 16.611 133 HA ILE 19 HA ILE 19 63.248 -0.463 13.954 134 HB ILE 19 HB ILE 19 62.045 -2.775 15.505 135 HG12 ILE 19 HG12 ILE 19 62.870 -2.856 12.612 136 HG13 ILE 19 HG11 ILE 19 64.126 -2.955 13.830 137 HG21 ILE 19 HG21 ILE 19 60.878 -1.114 13.245 138 HG22 ILE 19 HG22 ILE 19 60.071 -1.837 14.643 139 HG23 ILE 19 HG23 ILE 19 60.561 -2.843 13.293 140 HD11 ILE 19 HD11 ILE 19 63.229 -4.972 14.742 141 HD12 ILE 19 HD12 ILE 19 63.181 -5.177 12.994 142 HD13 ILE 19 HD13 ILE 19 61.707 -4.779 13.868 143 H CYS 20 HN CYS 20 62.458 1.497 14.302 144 HA CYS 20 HA CYS 20 61.199 2.260 16.755 145 HB2 CYS 20 HB2 CYS 20 62.343 3.780 15.073 146 HB3 CYS 20 HB1 CYS 20 60.898 3.626 14.098 147 H ALA 21 HN ALA 21 59.284 1.619 17.370 148 HA ALA 21 HA ALA 21 57.525 0.108 15.727 149 HB1 ALA 21 HB1 ALA 21 57.072 1.338 18.445 150 HB2 ALA 21 HB2 ALA 21 57.738 -0.267 18.139 151 HB3 ALA 21 HB3 ALA 21 56.068 0.096 17.700 152 H ILE 22 HN ILE 22 57.981 3.401 16.016 153 HA ILE 22 HA ILE 22 55.183 4.141 15.527 154 HB ILE 22 HB ILE 22 57.667 5.750 16.080 155 HG12 ILE 22 HG12 ILE 22 55.162 5.796 17.741 156 HG13 ILE 22 HG11 ILE 22 56.233 4.419 17.913 157 HG21 ILE 22 HG21 ILE 22 54.880 6.677 15.295 158 HG22 ILE 22 HG22 ILE 22 56.423 7.297 14.722 159 HG23 ILE 22 HG23 ILE 22 55.876 7.675 16.340 160 HD11 ILE 22 HD11 ILE 22 57.226 7.268 18.160 161 HD12 ILE 22 HD12 ILE 22 58.045 5.788 18.660 162 HD13 ILE 22 HD13 ILE 22 56.623 6.348 19.533 163 H CYS 23 HN CYS 23 58.191 5.437 14.112 164 HA CYS 23 HA CYS 23 56.847 5.725 11.501 165 HB2 CYS 23 HB2 CYS 23 58.638 7.212 10.977 166 HB3 CYS 23 HB1 CYS 23 58.068 7.606 12.601 167 H GLY 24 HN GLY 24 59.242 3.664 12.975 168 HA2 GLY 24 HA2 GLY 24 60.323 1.866 12.068 169 HA3 GLY 24 HA1 GLY 24 59.567 2.206 10.535 170 H ASN 25 HN ASN 25 61.541 4.836 12.064 171 HA ASN 25 HA ASN 25 63.955 3.995 10.791 172 HB2 ASN 25 HB2 ASN 25 62.438 4.909 8.859 173 HB3 ASN 25 HB1 ASN 25 62.738 6.476 9.589 174 HD21 ASN 25 HD21 ASN 25 64.418 7.529 8.582 175 HD22 ASN 25 HD22 ASN 25 65.790 6.781 7.919 176 H ASN 26 HN ASN 26 62.663 5.447 13.328 177 HA ASN 26 HA ASN 26 64.731 7.618 13.563 178 HB2 ASN 26 HB2 ASN 26 62.410 7.154 15.396 179 HB3 ASN 26 HB1 ASN 26 63.600 8.409 15.531 180 HD21 ASN 26 HD21 ASN 26 63.240 8.075 12.269 181 HD22 ASN 26 HD22 ASN 26 62.038 9.231 11.994 182 H ALA 27 HN ALA 27 64.427 4.476 14.103 183 HA ALA 27 HA ALA 27 65.242 3.984 16.692 184 HB1 ALA 27 HB1 ALA 27 66.355 1.966 15.488 185 HB2 ALA 27 HB2 ALA 27 65.604 2.638 14.041 186 HB3 ALA 27 HB3 ALA 27 64.594 2.150 15.401 187 H GLU 28 HN GLU 28 67.471 3.761 13.928 188 HA GLU 28 HA GLU 28 69.836 4.105 15.372 189 HB2 GLU 28 HB2 GLU 28 69.249 4.865 12.492 190 HB3 GLU 28 HB1 GLU 28 70.851 4.646 13.166 191 HG2 GLU 28 HG2 GLU 28 68.744 2.454 13.065 192 HG3 GLU 28 HG1 GLU 28 69.943 2.704 11.829 193 H ASP 29 HN ASP 29 67.970 6.463 13.490 194 HA ASP 29 HA ASP 29 69.623 8.709 14.273 195 HB2 ASP 29 HB2 ASP 29 66.906 8.940 13.009 196 HB3 ASP 29 HB1 ASP 29 68.295 10.006 12.845 197 H TYR 30 HN TYR 30 67.516 10.643 14.575 198 HA TYR 30 HA TYR 30 66.759 10.208 17.406 199 HB2 TYR 30 HB2 TYR 30 67.119 12.732 15.793 200 HB3 TYR 30 HB1 TYR 30 66.579 12.682 17.458 201 HD1 TYR 30 HD1 TYR 30 69.450 12.015 15.193 202 HD2 TYR 30 HD2 TYR 30 68.145 12.109 19.301 203 HE1 TYR 30 HE1 TYR 30 71.791 11.859 15.949 204 HE2 TYR 30 HE2 TYR 30 70.490 11.957 20.040 205 HH TYR 30 HH TYR 30 73.115 11.395 17.764 206 H LYS 31 HN LYS 31 64.777 11.134 18.154 207 HA LYS 31 HA LYS 31 62.495 10.434 16.578 208 HB2 LYS 31 HB2 LYS 31 62.803 11.749 19.293 209 HB3 LYS 31 HB1 LYS 31 61.263 11.246 18.619 210 HG2 LYS 31 HG2 LYS 31 62.097 8.880 18.538 211 HG3 LYS 31 HG1 LYS 31 63.614 9.411 19.241 212 HD2 LYS 31 HD2 LYS 31 62.405 10.162 21.285 213 HD3 LYS 31 HD1 LYS 31 60.882 9.635 20.579 214 HE2 LYS 31 HE2 LYS 31 61.723 7.298 20.521 215 HE3 LYS 31 HE1 LYS 31 63.240 7.833 21.246 216 HZ1 LYS 31 HZ1 LYS 31 62.300 7.686 23.221 217 HZ2 LYS 31 HZ2 LYS 31 60.836 7.189 22.518 218 HZ3 LYS 31 HZ3 LYS 31 61.138 8.840 22.780 219 H HIS 32 HN HIS 32 62.923 11.863 14.813 220 HA HIS 32 HA HIS 32 62.050 14.656 15.247 221 HB2 HIS 32 HB2 HIS 32 63.941 13.365 13.350 222 HB3 HIS 32 HB1 HIS 32 63.019 14.761 12.794 223 HD2 HIS 32 HD2 HIS 32 63.947 17.213 13.743 224 HE1 HIS 32 HE1 HIS 32 66.753 15.692 16.511 225 HE2 HIS 32 HE2 HIS 32 65.872 17.806 15.413 226 H THR 33 HN THR 33 61.670 11.796 13.238 227 HA THR 33 HA THR 33 59.444 12.971 11.752 228 HB THR 33 HB THR 33 59.506 11.077 10.394 229 HG1 THR 33 HG1 THR 33 59.352 9.415 11.741 230 HG21 THR 33 HG21 THR 33 62.381 11.066 11.312 231 HG22 THR 33 HG22 THR 33 61.695 12.471 10.497 232 HG23 THR 33 HG23 THR 33 61.739 10.911 9.679 233 H ASP 34 HN ASP 34 59.966 11.338 14.697 234 HA ASP 34 HA ASP 34 57.488 9.855 14.779 235 HB2 ASP 34 HB2 ASP 34 59.488 10.763 16.818 236 HB3 ASP 34 HB1 ASP 34 57.928 10.192 17.373 237 H MET 35 HN MET 35 58.438 13.085 15.691 238 HA MET 35 HA MET 35 56.009 13.782 16.978 239 HB2 MET 35 HB2 MET 35 58.193 15.415 15.671 240 HB3 MET 35 HB1 MET 35 56.780 16.169 16.402 241 HG2 MET 35 HG2 MET 35 58.413 14.178 17.972 242 HG3 MET 35 HG1 MET 35 58.941 15.849 17.849 243 HE1 MET 35 HE1 MET 35 58.309 17.485 19.770 244 HE2 MET 35 HE2 MET 35 56.601 17.889 19.914 245 HE3 MET 35 HE3 MET 35 57.358 17.873 18.326 246 H ASP 36 HN ASP 36 57.136 14.067 13.643 247 HA ASP 36 HA ASP 36 54.710 15.335 12.693 248 HB2 ASP 36 HB2 ASP 36 57.042 14.096 11.209 249 HB3 ASP 36 HB1 ASP 36 55.749 15.034 10.465 250 H LEU 37 HN LEU 37 53.053 14.424 11.561 251 HA LEU 37 HA LEU 37 52.544 11.603 11.966 252 HB2 LEU 37 HB2 LEU 37 51.000 13.743 10.475 253 HB3 LEU 37 HB1 LEU 37 50.410 12.115 10.733 254 HG LEU 37 HG LEU 37 51.138 14.064 12.980 255 HD11 LEU 37 HD11 LEU 37 48.461 13.496 11.699 256 HD12 LEU 37 HD12 LEU 37 49.265 15.051 11.916 257 HD13 LEU 37 HD13 LEU 37 48.621 14.190 13.310 258 HD21 LEU 37 HD21 LEU 37 51.125 12.047 14.122 259 HD22 LEU 37 HD22 LEU 37 49.994 11.274 13.016 260 HD23 LEU 37 HD23 LEU 37 49.413 12.438 14.196 261 H THR 38 HN THR 38 52.830 9.990 10.565 262 HA THR 38 HA THR 38 54.234 10.445 8.086 263 HB THR 38 HB THR 38 53.885 7.919 7.850 264 HG1 THR 38 HG1 THR 38 52.201 7.483 9.115 265 HG21 THR 38 HG21 THR 38 55.326 9.222 10.157 266 HG22 THR 38 HG22 THR 38 55.995 8.572 8.661 267 HG23 THR 38 HG23 THR 38 55.401 7.479 9.908 268 H TYR 39 HN TYR 39 50.965 10.239 9.051 269 HA TYR 39 HA TYR 39 49.721 9.183 6.763 270 HB2 TYR 39 HB2 TYR 39 48.512 9.491 8.840 271 HB3 TYR 39 HB1 TYR 39 48.763 11.222 8.779 272 HD1 TYR 39 HD1 TYR 39 47.071 8.359 7.076 273 HD2 TYR 39 HD2 TYR 39 47.311 12.653 7.389 274 HE1 TYR 39 HE1 TYR 39 45.017 8.583 5.728 275 HE2 TYR 39 HE2 TYR 39 45.263 12.858 6.044 276 HH TYR 39 HH TYR 39 43.654 9.994 4.673 277 H THR 40 HN THR 40 50.620 12.521 7.590 278 HA THR 40 HA THR 40 49.468 13.751 5.325 279 HB THR 40 HB THR 40 51.166 15.584 5.816 280 HG1 THR 40 HG1 THR 40 52.719 15.121 7.115 281 HG21 THR 40 HG21 THR 40 50.168 15.993 8.165 282 HG22 THR 40 HG22 THR 40 49.256 14.511 7.895 283 HG23 THR 40 HG23 THR 40 49.048 15.884 6.809 284 H ASP 41 HN ASP 41 52.593 12.220 5.856 285 HA ASP 41 HA ASP 41 53.043 11.957 3.009 286 HB2 ASP 41 HB2 ASP 41 53.898 14.240 3.382 287 HB3 ASP 41 HB1 ASP 41 54.955 13.638 4.656 288 H ARG 42 HN ARG 42 53.319 9.811 3.125 289 HA ARG 42 HA ARG 42 54.753 8.494 5.231 290 HB2 ARG 42 HB2 ARG 42 53.800 7.555 2.511 291 HB3 ARG 42 HB1 ARG 42 54.575 6.497 3.686 292 HG2 ARG 42 HG2 ARG 42 52.772 6.891 5.311 293 HG3 ARG 42 HG1 ARG 42 52.030 8.079 4.246 294 HD2 ARG 42 HD2 ARG 42 51.547 6.325 2.593 295 HD3 ARG 42 HD1 ARG 42 52.369 5.130 3.595 296 HE ARG 42 HE ARG 42 50.384 6.338 5.161 297 HH11 ARG 42 HH21 ARG 42 50.702 4.367 2.336 298 HH12 ARG 42 HH22 ARG 42 49.176 3.575 2.555 299 HH21 ARG 42 HH11 ARG 42 48.388 5.309 5.450 300 HH22 ARG 42 HH12 ARG 42 47.868 4.108 4.315 301 H ASP 43 HN ASP 43 56.820 7.713 5.263 302 HA ASP 43 HA ASP 43 58.773 9.072 3.719 303 HB2 ASP 43 HB2 ASP 43 59.177 8.211 6.006 304 HB3 ASP 43 HB1 ASP 43 59.101 6.567 5.379 305 H TYR 44 HN TYR 44 59.938 8.488 1.980 306 HA TYR 44 HA TYR 44 58.901 6.423 0.248 307 HB2 TYR 44 HB2 TYR 44 59.834 8.684 -0.467 308 HB3 TYR 44 HB1 TYR 44 61.423 8.038 -0.123 309 HD1 TYR 44 HD1 TYR 44 58.385 7.619 -2.245 310 HD2 TYR 44 HD2 TYR 44 62.468 6.364 -1.624 311 HE1 TYR 44 HE1 TYR 44 58.392 6.510 -4.447 312 HE2 TYR 44 HE2 TYR 44 62.456 5.260 -3.826 313 HH TYR 44 HH TYR 44 61.223 5.443 -5.976 314 H LYS 45 HN LYS 45 59.587 4.375 0.110 315 HA LYS 45 HA LYS 45 61.639 3.368 1.843 316 HB2 LYS 45 HB2 LYS 45 60.126 2.083 -0.450 317 HB3 LYS 45 HB1 LYS 45 61.229 1.214 0.611 318 HG2 LYS 45 HG2 LYS 45 59.814 1.755 2.570 319 HG3 LYS 45 HG1 LYS 45 58.733 2.695 1.547 320 HD2 LYS 45 HD2 LYS 45 58.136 0.639 0.282 321 HD3 LYS 45 HD1 LYS 45 59.239 -0.301 1.281 322 HE2 LYS 45 HE2 LYS 45 57.878 0.219 3.282 323 HE3 LYS 45 HE1 LYS 45 56.783 1.185 2.292 324 HZ1 LYS 45 HZ1 LYS 45 55.917 -0.645 1.298 325 HZ2 LYS 45 HZ2 LYS 45 56.311 -1.322 2.804 326 HZ3 LYS 45 HZ3 LYS 45 57.329 -1.566 1.468 327 H ASN 46 HN ASN 46 63.723 2.933 1.447 328 HA ASN 46 HA ASN 46 64.969 4.028 -0.919 329 HB2 ASN 46 HB2 ASN 46 66.100 2.486 1.427 330 HB3 ASN 46 HB1 ASN 46 67.064 3.258 0.170 331 HD21 ASN 46 HD21 ASN 46 66.022 3.782 3.264 332 HD22 ASN 46 HD22 ASN 46 65.949 5.477 3.260 333 H CYS 47 HN CYS 47 64.709 2.907 -2.765 334 HA CYS 47 HA CYS 47 64.417 0.093 -2.939 335 HB2 CYS 47 HB2 CYS 47 65.203 2.149 -5.014 336 HB3 CYS 47 HB1 CYS 47 64.845 0.461 -5.379 337 HG CYS 47 HG CYS 47 62.404 0.895 -4.384 338 H GLU 48 HN GLU 48 67.199 2.253 -3.289 339 HA GLU 48 HA GLU 48 69.036 0.243 -4.123 340 HB2 GLU 48 HB2 GLU 48 69.473 2.924 -2.770 341 HB3 GLU 48 HB1 GLU 48 70.779 1.910 -3.379 342 HG2 GLU 48 HG2 GLU 48 69.895 2.087 -5.669 343 HG3 GLU 48 HG1 GLU 48 68.508 3.004 -5.087 344 H SER 49 HN SER 49 70.446 -1.006 -2.972 345 HA SER 49 HA SER 49 70.721 -0.801 -0.098 346 HB2 SER 49 HB2 SER 49 69.846 -3.103 0.318 347 HB3 SER 49 HB1 SER 49 68.593 -1.966 -0.170 348 HG SER 49 HG SER 49 69.389 -4.236 -1.362 349 H TYR 50 HN TYR 50 72.228 -2.393 0.754 350 HA TYR 50 HA TYR 50 73.749 -4.064 -1.047 351 HB2 TYR 50 HB2 TYR 50 74.732 -1.879 -1.594 352 HB3 TYR 50 HB1 TYR 50 75.010 -1.560 0.104 353 HD1 TYR 50 HD1 TYR 50 75.829 -3.958 -2.650 354 HD2 TYR 50 HD2 TYR 50 77.078 -2.355 1.155 355 HE1 TYR 50 HE1 TYR 50 77.977 -5.162 -2.837 356 HE2 TYR 50 HE2 TYR 50 79.216 -3.561 0.952 357 HH TYR 50 HH TYR 50 79.811 -5.849 -1.669 358 H HIS 51 HN HIS 51 75.042 -5.529 0.065 359 HA HIS 51 HA HIS 51 75.806 -6.823 1.797 360 HB2 HIS 51 HB2 HIS 51 76.507 -4.417 2.687 361 HB3 HIS 51 HB1 HIS 51 75.263 -4.760 3.883 362 HD2 HIS 51 HD2 HIS 51 78.939 -5.523 3.330 363 HE1 HIS 51 HE1 HIS 51 77.570 -8.414 6.084 364 HE2 HIS 51 HE2 HIS 51 79.634 -7.371 5.039 365 H LYS 52 HN LYS 52 72.681 -5.566 1.699 366 HA LYS 52 HA LYS 52 70.685 -6.013 2.716 367 HB2 LYS 52 HB2 LYS 52 71.929 -8.738 2.408 368 HB3 LYS 52 HB1 LYS 52 70.227 -8.462 2.748 369 HG2 LYS 52 HG2 LYS 52 69.977 -7.222 0.620 370 HG3 LYS 52 HG1 LYS 52 71.695 -7.421 0.291 371 HD2 LYS 52 HD2 LYS 52 71.378 -9.898 0.201 372 HD3 LYS 52 HD1 LYS 52 69.661 -9.678 0.520 373 HE2 LYS 52 HE2 LYS 52 69.432 -8.402 -1.592 374 HE3 LYS 52 HE1 LYS 52 71.156 -8.611 -1.902 375 HZ1 LYS 52 HZ1 LYS 52 69.406 -10.936 -1.418 376 HZ2 LYS 52 HZ2 LYS 52 70.912 -10.878 -2.205 377 HZ3 LYS 52 HZ3 LYS 52 69.530 -10.245 -2.963 378 H CYS 53 HN CYS 53 70.986 -5.005 4.739 379 HA CYS 53 HA CYS 53 72.188 -5.827 7.016 380 HB2 CYS 53 HB2 CYS 53 70.005 -4.793 8.144 381 HB3 CYS 53 HB1 CYS 53 71.175 -3.794 7.290 382 HG CYS 53 HG CYS 53 69.540 -3.414 5.440 383 H SER 54 HN SER 54 71.362 -6.731 9.029 384 HA SER 54 HA SER 54 70.514 -9.388 8.736 385 HB2 SER 54 HB2 SER 54 70.513 -7.612 11.181 386 HB3 SER 54 HB1 SER 54 70.270 -9.357 11.209 387 HG SER 54 HG SER 54 72.557 -7.957 11.052 388 H ASP 55 HN ASP 55 68.706 -6.466 9.615 389 HA ASP 55 HA ASP 55 66.148 -7.954 9.452 390 HB2 ASP 55 HB2 ASP 55 67.002 -5.591 11.122 391 HB3 ASP 55 HB1 ASP 55 65.311 -6.034 10.882 392 H LEU 56 HN LEU 56 66.560 -4.487 9.537 393 HA LEU 56 HA LEU 56 66.194 -4.055 6.723 394 HB2 LEU 56 HB2 LEU 56 63.999 -2.991 6.981 395 HB3 LEU 56 HB1 LEU 56 63.965 -4.693 7.327 396 HG LEU 56 HG LEU 56 64.467 -3.476 9.866 397 HD11 LEU 56 HD11 LEU 56 62.175 -2.038 8.496 398 HD12 LEU 56 HD12 LEU 56 63.735 -1.301 8.894 399 HD13 LEU 56 HD13 LEU 56 62.682 -1.885 10.174 400 HD21 LEU 56 HD21 LEU 56 61.854 -4.537 8.733 401 HD22 LEU 56 HD22 LEU 56 62.188 -4.231 10.433 402 HD23 LEU 56 HD23 LEU 56 63.092 -5.477 9.584 403 H CYS 57 HN CYS 57 67.638 -3.237 9.369 404 HA CYS 57 HA CYS 57 67.182 -0.436 9.651 405 HB2 CYS 57 HB2 CYS 57 67.989 -1.474 11.517 406 HB3 CYS 57 HB1 CYS 57 69.175 -2.428 10.675 407 H GLN 58 HN GLN 58 67.898 1.096 8.369 408 HA GLN 58 HA GLN 58 69.189 0.492 5.983 409 HB2 GLN 58 HB2 GLN 58 68.800 3.164 7.346 410 HB3 GLN 58 HB1 GLN 58 69.371 2.979 5.691 411 HG2 GLN 58 HG2 GLN 58 67.251 1.890 5.052 412 HG3 GLN 58 HG1 GLN 58 66.689 1.969 6.722 413 HE21 GLN 58 HE21 GLN 58 64.893 3.250 5.402 414 HE22 GLN 58 HE22 GLN 58 65.139 4.927 5.286 415 H TYR 59 HN TYR 59 70.597 2.200 8.832 416 HA TYR 59 HA TYR 59 73.086 2.627 7.591 417 HB2 TYR 59 HB2 TYR 59 72.187 2.688 10.460 418 HB3 TYR 59 HB1 TYR 59 73.816 3.095 9.966 419 HD1 TYR 59 HD1 TYR 59 70.229 4.042 9.601 420 HD2 TYR 59 HD2 TYR 59 74.296 5.230 8.807 421 HE1 TYR 59 HE1 TYR 59 69.456 6.302 8.985 422 HE2 TYR 59 HE2 TYR 59 73.506 7.484 8.191 423 HH TYR 59 HH TYR 59 71.592 8.651 7.539 424 H CYS 60 HN CYS 60 71.756 -0.116 9.229 425 HA CYS 60 HA CYS 60 74.108 -1.276 10.174 426 HB2 CYS 60 HB2 CYS 60 71.412 -2.185 9.513 427 HB3 CYS 60 HB1 CYS 60 72.633 -3.429 9.545 428 H ARG 61 HN ARG 61 72.888 -0.889 6.999 429 HA ARG 61 HA ARG 61 74.023 -3.075 5.647 430 HB2 ARG 61 HB2 ARG 61 73.500 -0.225 4.787 431 HB3 ARG 61 HB1 ARG 61 74.030 -1.469 3.674 432 HG2 ARG 61 HG2 ARG 61 72.026 -2.801 4.084 433 HG3 ARG 61 HG1 ARG 61 71.521 -1.717 5.375 434 HD2 ARG 61 HD2 ARG 61 71.187 0.091 3.757 435 HD3 ARG 61 HD1 ARG 61 71.786 -0.933 2.453 436 HE ARG 61 HE ARG 61 69.696 -2.327 3.632 437 HH11 ARG 61 HH21 ARG 61 70.174 0.709 2.051 438 HH12 ARG 61 HH22 ARG 61 68.567 0.785 1.411 439 HH21 ARG 61 HH11 ARG 61 67.592 -2.242 2.803 440 HH22 ARG 61 HH12 ARG 61 67.101 -0.889 1.838 441 H TYR 62 HN TYR 62 75.365 0.067 6.469 442 HA TYR 62 HA TYR 62 77.916 -0.403 5.167 443 HB2 TYR 62 HB2 TYR 62 76.991 1.794 7.022 444 HB3 TYR 62 HB1 TYR 62 78.549 1.760 6.224 445 HD1 TYR 62 HD1 TYR 62 78.711 1.894 3.715 446 HD2 TYR 62 HD2 TYR 62 74.925 2.299 5.740 447 HE1 TYR 62 HE1 TYR 62 77.701 2.831 1.666 448 HE2 TYR 62 HE2 TYR 62 73.936 3.238 3.690 449 HH TYR 62 HH TYR 62 75.901 3.831 0.792 450 H GLN 63 HN GLN 63 76.904 0.153 8.513 451 HA GLN 63 HA GLN 63 78.930 -1.717 9.551 452 HB2 GLN 63 HB2 GLN 63 78.744 1.234 10.133 453 HB3 GLN 63 HB1 GLN 63 79.221 0.142 11.423 454 HG2 GLN 63 HG2 GLN 63 80.632 0.106 8.750 455 HG3 GLN 63 HG1 GLN 63 81.087 1.242 10.006 456 HE21 GLN 63 HE21 GLN 63 81.752 -1.848 8.838 457 HE22 GLN 63 HE22 GLN 63 82.475 -2.496 10.232 458 H LYS 64 HN LYS 64 77.946 -3.040 10.882 459 HA LYS 64 HA LYS 64 75.283 -2.932 11.670 460 HB2 LYS 64 HB2 LYS 64 77.540 -4.323 13.103 461 HB3 LYS 64 HB1 LYS 64 75.841 -4.672 13.321 462 HG2 LYS 64 HG2 LYS 64 77.405 -5.053 10.727 463 HG3 LYS 64 HG1 LYS 64 76.997 -6.333 11.852 464 HD2 LYS 64 HD2 LYS 64 74.498 -5.635 11.400 465 HD3 LYS 64 HD1 LYS 64 75.157 -4.804 9.996 466 HE2 LYS 64 HE2 LYS 64 76.313 -7.040 9.425 467 HE3 LYS 64 HE1 LYS 64 75.198 -7.757 10.590 468 HZ1 LYS 64 HZ1 LYS 64 73.415 -6.500 9.291 469 HZ2 LYS 64 HZ2 LYS 64 74.080 -7.895 8.583 470 HZ3 LYS 64 HZ3 LYS 64 74.581 -6.355 8.069 471 H ASP 65 HN ASP 65 74.125 -2.187 13.285 472 HA ASP 65 HA ASP 65 75.426 -0.562 15.408 473 HB2 ASP 65 HB2 ASP 65 72.634 0.040 14.767 474 HB3 ASP 65 HB1 ASP 65 73.952 1.119 15.099 475 H LEU 66 HN LEU 66 74.826 -3.421 15.601 476 HA LEU 66 HA LEU 66 72.397 -3.828 17.029 477 HB2 LEU 66 HB2 LEU 66 74.977 -5.383 16.833 478 HB3 LEU 66 HB1 LEU 66 73.672 -5.951 17.855 479 HG LEU 66 HG LEU 66 73.055 -5.283 14.972 480 HD11 LEU 66 HD11 LEU 66 74.464 -7.776 15.975 481 HD12 LEU 66 HD12 LEU 66 74.939 -6.730 14.636 482 HD13 LEU 66 HD13 LEU 66 73.518 -7.753 14.489 483 HD21 LEU 66 HD21 LEU 66 71.305 -6.049 16.783 484 HD22 LEU 66 HD22 LEU 66 72.060 -7.625 16.608 485 HD23 LEU 66 HD23 LEU 66 71.296 -6.857 15.223 486 H ALA 67 HN ALA 67 74.870 -1.904 17.973 487 HA ALA 67 HA ALA 67 75.301 -2.667 20.669 488 HB1 ALA 67 HB1 ALA 67 75.587 0.103 19.509 489 HB2 ALA 67 HB2 ALA 67 76.778 -1.172 19.258 490 HB3 ALA 67 HB3 ALA 67 76.442 -0.588 20.887 491 H ILE 68 HN ILE 68 72.949 -0.526 19.075 492 HA ILE 68 HA ILE 68 72.031 0.625 21.506 493 HB ILE 68 HB ILE 68 69.933 1.193 20.099 494 HG12 ILE 68 HG12 ILE 68 71.720 0.806 17.730 495 HG13 ILE 68 HG11 ILE 68 70.843 -0.609 18.277 496 HG21 ILE 68 HG21 ILE 68 71.348 2.917 18.768 497 HG22 ILE 68 HG22 ILE 68 72.736 2.194 19.576 498 HG23 ILE 68 HG23 ILE 68 71.455 2.951 20.528 499 HD11 ILE 68 HD11 ILE 68 69.624 0.707 16.522 500 HD12 ILE 68 HD12 ILE 68 69.539 2.057 17.647 501 HD13 ILE 68 HD13 ILE 68 68.713 0.549 18.021 502 H HIS 69 HN HIS 69 70.560 -2.026 19.546 503 HA HIS 69 HA HIS 69 68.458 -2.650 21.262 504 HB2 HIS 69 HB2 HIS 69 68.758 -3.598 19.003 505 HB3 HIS 69 HB1 HIS 69 70.098 -4.565 19.605 506 HD2 HIS 69 HD2 HIS 69 69.274 -7.032 20.530 507 HE1 HIS 69 HE1 HIS 69 65.228 -6.077 21.265 508 HE2 HIS 69 HE2 HIS 69 66.949 -7.942 21.293 509 H HIS 70 HN HIS 70 71.797 -3.902 21.289 510 HA HIS 70 HA HIS 70 71.357 -5.627 23.540 511 HB2 HIS 70 HB2 HIS 70 73.820 -4.615 22.131 512 HB3 HIS 70 HB1 HIS 70 73.926 -5.594 23.593 513 HD2 HIS 70 HD2 HIS 70 73.613 -8.321 23.154 514 HE1 HIS 70 HE1 HIS 70 72.183 -8.099 19.192 515 HE2 HIS 70 HE2 HIS 70 72.922 -9.676 21.041 516 H GLN 71 HN GLN 71 71.103 -5.013 25.576 517 HA GLN 71 HA GLN 71 71.465 -2.339 26.462 518 HB2 GLN 71 HB2 GLN 71 71.072 -4.929 27.992 519 HB3 GLN 71 HB1 GLN 71 71.094 -3.345 28.758 520 HG2 GLN 71 HG2 GLN 71 69.137 -2.640 27.456 521 HG3 GLN 71 HG1 GLN 71 69.156 -4.153 26.556 522 HE21 GLN 71 HE21 GLN 71 66.811 -4.016 27.581 523 HE22 GLN 71 HE22 GLN 71 66.631 -4.795 29.080 524 H HIS 72 HN HIS 72 73.413 -5.271 26.761 525 HA HIS 72 HA HIS 72 75.401 -4.096 28.462 526 HB2 HIS 72 HB2 HIS 72 75.503 -6.561 26.709 527 HB3 HIS 72 HB1 HIS 72 76.703 -6.127 27.925 528 HD2 HIS 72 HD2 HIS 72 73.392 -8.028 27.735 529 HE1 HIS 72 HE1 HIS 72 73.983 -7.132 31.816 530 HE2 HIS 72 HE2 HIS 72 72.599 -8.493 30.179 531 H HIS 73 HN HIS 73 77.077 -2.851 27.923 532 HA HIS 73 HA HIS 73 77.452 -1.951 25.222 533 HB2 HIS 73 HB2 HIS 73 79.005 -1.468 27.771 534 HB3 HIS 73 HB1 HIS 73 79.384 -0.698 26.231 535 HD2 HIS 73 HD2 HIS 73 77.653 1.398 25.500 536 HE1 HIS 73 HE1 HIS 73 75.065 1.082 28.821 537 HE2 HIS 73 HE2 HIS 73 75.653 2.481 26.784 538 H HIS 74 HN HIS 74 79.017 -2.487 23.771 539 HA HIS 74 HA HIS 74 80.283 -5.019 23.986 540 HB2 HIS 74 HB2 HIS 74 80.692 -2.726 22.057 541 HB3 HIS 74 HB1 HIS 74 81.471 -4.299 21.889 542 HD2 HIS 74 HD2 HIS 74 78.114 -2.640 21.023 543 HE1 HIS 74 HE1 HIS 74 77.527 -6.801 20.621 544 HE2 HIS 74 HE2 HIS 74 76.518 -4.521 20.160 545 H GLY 75 HN GLY 75 81.436 -1.695 24.366 546 HA2 GLY 75 HA2 GLY 75 83.256 -0.871 25.522 547 HA3 GLY 75 HA1 GLY 75 83.572 -2.501 26.108 548 H GLY 76 HN GLY 76 83.228 -2.153 22.715 549 HA2 GLY 76 HA2 GLY 76 85.883 -3.069 22.203 550 HA3 GLY 76 HA1 GLY 76 84.711 -2.551 20.994 551 H SER 77 HN SER 77 87.586 -1.981 21.160 552 HA SER 77 HA SER 77 88.012 0.702 21.996 553 HB2 SER 77 HB2 SER 77 89.901 -0.778 21.725 554 HB3 SER 77 HB1 SER 77 89.502 -1.052 20.032 555 HG SER 77 HG SER 77 89.952 1.547 21.031 556 H MET 78 HN MET 78 88.033 2.611 20.828 557 HA MET 78 HA MET 78 86.125 2.882 18.754 558 HB2 MET 78 HB2 MET 78 88.258 4.711 19.862 559 HB3 MET 78 HB1 MET 78 87.246 5.198 18.506 560 HG2 MET 78 HG2 MET 78 85.249 5.061 19.815 561 HG3 MET 78 HG1 MET 78 86.079 4.193 21.111 562 HE1 MET 78 HE1 MET 78 85.231 7.559 22.830 563 HE2 MET 78 HE2 MET 78 85.277 5.807 23.013 564 HE3 MET 78 HE3 MET 78 84.271 6.530 21.759 565 H GLY 79 HN GLY 79 89.646 2.639 18.758 566 HA2 GLY 79 HA2 GLY 79 91.089 1.982 17.080 567 HA3 GLY 79 HA1 GLY 79 89.697 1.670 16.052 568 H MET 80 HN MET 80 91.208 2.634 14.425 569 HA MET 80 HA MET 80 91.937 5.367 14.499 570 HB2 MET 80 HB2 MET 80 91.572 3.390 12.238 571 HB3 MET 80 HB1 MET 80 92.077 5.052 11.954 572 HG2 MET 80 HG2 MET 80 94.093 4.744 13.260 573 HG3 MET 80 HG1 MET 80 93.528 3.186 13.856 574 HE1 MET 80 HE1 MET 80 95.429 4.191 9.819 575 HE2 MET 80 HE2 MET 80 95.918 4.794 11.398 576 HE3 MET 80 HE3 MET 80 94.367 5.279 10.717 577 H SER 81 HN SER 81 89.099 3.681 13.225 578 HA SER 81 HA SER 81 87.909 6.002 12.043 579 HB2 SER 81 HB2 SER 81 85.959 4.615 11.746 580 HB3 SER 81 HB1 SER 81 87.381 3.633 11.409 581 HG SER 81 HG SER 81 87.024 2.497 13.171 582 H GLY 82 HN GLY 82 85.905 7.001 12.763 583 HA2 GLY 82 HA2 GLY 82 84.489 7.957 14.314 584 HA3 GLY 82 HA1 GLY 82 84.985 6.724 15.467 585 H SER 83 HN SER 83 87.445 8.580 13.908 586 HA SER 83 HA SER 83 87.623 10.667 15.904 587 HB2 SER 83 HB2 SER 83 89.880 9.932 16.706 588 HB3 SER 83 HB1 SER 83 88.566 8.884 17.232 589 HG SER 83 HG SER 83 89.271 7.911 14.953 590 H GLY 84 HN GLY 84 89.477 12.089 15.520 591 HA2 GLY 84 HA2 GLY 84 90.954 13.245 14.176 592 HA3 GLY 84 HA1 GLY 84 91.091 11.807 13.170 593 H THR 85 HN THR 85 87.931 13.028 13.807 594 HA THR 85 HA THR 85 87.439 13.540 11.008 595 HB THR 85 HB THR 85 85.178 13.802 11.615 596 HG1 THR 85 HG1 THR 85 85.133 13.928 14.224 597 HG21 THR 85 HG21 THR 85 86.327 11.530 12.247 598 HG22 THR 85 HG22 THR 85 84.693 11.854 12.818 599 HG23 THR 85 HG23 THR 85 86.060 12.064 13.907 600 H GLY 86 HN GLY 86 86.341 15.589 10.333 601 HA2 GLY 86 HA2 GLY 86 88.039 17.805 10.765 602 HA3 GLY 86 HA1 GLY 86 86.482 17.851 9.940 603 H TYR 87 HN TYR 87 84.929 16.884 12.154 604 HA TYR 87 HA TYR 87 85.303 18.613 14.434 605 HB2 TYR 87 HB2 TYR 87 84.440 20.277 12.867 606 HB3 TYR 87 HB1 TYR 87 83.104 19.226 12.446 607 HD1 TYR 87 HD1 TYR 87 84.654 21.143 15.251 608 HD2 TYR 87 HD2 TYR 87 81.098 19.129 13.875 609 HE1 TYR 87 HE1 TYR 87 83.382 22.055 17.166 610 HE2 TYR 87 HE2 TYR 87 79.844 20.048 15.787 611 HH TYR 87 HH TYR 87 79.985 21.933 17.348 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 35.677 -11.961 33.900 2 H2 MET 1 HT2 MET 1 34.145 -11.231 33.833 3 H3 MET 1 HT3 MET 1 34.280 -12.900 34.113 4 HA MET 1 HA MET 1 35.645 -11.134 35.990 5 HB2 MET 1 HB2 MET 1 32.644 -11.425 35.760 6 HB3 MET 1 HB1 MET 1 33.444 -11.018 37.276 7 HG2 MET 1 HG2 MET 1 34.235 -8.947 36.454 8 HG3 MET 1 HG1 MET 1 34.034 -9.434 34.777 9 HE1 MET 1 HE1 MET 1 30.678 -8.205 37.697 10 HE2 MET 1 HE2 MET 1 32.304 -8.726 38.117 11 HE3 MET 1 HE3 MET 1 31.097 -9.921 37.650 12 H GLY 2 HN GLY 2 33.541 -13.871 35.215 13 HA2 GLY 2 HA2 GLY 2 33.836 -15.258 37.669 14 HA3 GLY 2 HA1 GLY 2 33.343 -15.972 36.136 15 H ALA 3 HN ALA 3 35.641 -15.362 34.624 16 HA ALA 3 HA ALA 3 38.024 -16.324 35.943 17 HB1 ALA 3 HB1 ALA 3 36.911 -18.460 35.753 18 HB2 ALA 3 HB2 ALA 3 38.200 -18.394 34.554 19 HB3 ALA 3 HB3 ALA 3 36.520 -18.158 34.063 20 HA PRO 4 HA PRO 4 38.451 -13.798 31.943 21 HB2 PRO 4 HB2 PRO 4 40.659 -12.568 33.509 22 HB3 PRO 4 HB1 PRO 4 39.401 -11.785 32.539 23 HG2 PRO 4 HG2 PRO 4 39.381 -11.715 35.199 24 HG3 PRO 4 HG1 PRO 4 37.886 -11.809 34.251 25 HD2 PRO 4 HD2 PRO 4 39.273 -13.956 35.803 26 HD3 PRO 4 HD1 PRO 4 37.540 -13.661 35.558 27 H VAL 5 HN VAL 5 39.942 -14.263 30.363 28 HA VAL 5 HA VAL 5 42.364 -15.828 31.048 29 HB VAL 5 HB VAL 5 40.668 -16.529 28.631 30 HG11 VAL 5 HG11 VAL 5 43.085 -17.406 29.076 31 HG12 VAL 5 HG12 VAL 5 41.837 -18.591 28.704 32 HG13 VAL 5 HG13 VAL 5 42.346 -18.351 30.370 33 HG21 VAL 5 HG21 VAL 5 39.750 -18.413 30.083 34 HG22 VAL 5 HG22 VAL 5 39.052 -16.827 30.373 35 HG23 VAL 5 HG23 VAL 5 40.258 -17.479 31.483 36 HA PRO 6 HA PRO 6 43.100 -12.368 27.877 37 HB2 PRO 6 HB2 PRO 6 44.900 -10.864 29.333 38 HB3 PRO 6 HB1 PRO 6 43.153 -10.569 29.330 39 HG2 PRO 6 HG2 PRO 6 44.834 -12.001 31.297 40 HG3 PRO 6 HG1 PRO 6 43.499 -10.870 31.559 41 HD2 PRO 6 HD2 PRO 6 43.180 -13.540 31.805 42 HD3 PRO 6 HD1 PRO 6 41.887 -12.468 31.230 43 H TYR 7 HN TYR 7 45.504 -11.605 27.291 44 HA TYR 7 HA TYR 7 47.566 -13.559 27.833 45 HB2 TYR 7 HB2 TYR 7 46.207 -14.745 26.168 46 HB3 TYR 7 HB1 TYR 7 46.358 -13.389 25.067 47 HD1 TYR 7 HD2 TYR 7 48.389 -15.861 27.025 48 HD2 TYR 7 HD1 TYR 7 48.275 -13.312 23.550 49 HE1 TYR 7 HE2 TYR 7 50.527 -16.815 26.244 50 HE2 TYR 7 HE1 TYR 7 50.407 -14.276 22.780 51 HH TYR 7 HH TYR 7 52.271 -15.465 23.552 52 HA PRO 8 HA PRO 8 49.050 -9.324 26.423 53 HB2 PRO 8 HB2 PRO 8 50.344 -8.477 28.622 54 HB3 PRO 8 HB1 PRO 8 48.578 -8.404 28.498 55 HG2 PRO 8 HG2 PRO 8 50.296 -10.343 29.926 56 HG3 PRO 8 HG1 PRO 8 48.767 -9.601 30.430 57 HD2 PRO 8 HD2 PRO 8 49.021 -12.146 29.356 58 HD3 PRO 8 HD1 PRO 8 47.512 -11.212 29.386 59 H ASP 9 HN ASP 9 51.419 -8.427 26.614 60 HA ASP 9 HA ASP 9 53.519 -10.473 26.679 61 HB2 ASP 9 HB2 ASP 9 52.718 -8.972 24.181 62 HB3 ASP 9 HB1 ASP 9 54.291 -9.743 24.384 63 HA PRO 10 HA PRO 10 54.652 -6.110 28.246 64 HB2 PRO 10 HB2 PRO 10 56.290 -7.711 30.125 65 HB3 PRO 10 HB1 PRO 10 55.200 -6.355 30.456 66 HG2 PRO 10 HG2 PRO 10 54.613 -8.895 31.084 67 HG3 PRO 10 HG1 PRO 10 53.380 -7.700 30.655 68 HD2 PRO 10 HD2 PRO 10 54.430 -9.985 29.077 69 HD3 PRO 10 HD1 PRO 10 52.827 -9.218 29.043 70 H LEU 11 HN LEU 11 56.428 -9.022 27.582 71 HA LEU 11 HA LEU 11 59.043 -7.985 27.402 72 HB2 LEU 11 HB2 LEU 11 57.734 -10.343 26.030 73 HB3 LEU 11 HB1 LEU 11 59.460 -10.025 25.947 74 HG LEU 11 HG LEU 11 57.924 -10.413 28.559 75 HD11 LEU 11 HD11 LEU 11 59.371 -12.444 26.868 76 HD12 LEU 11 HD12 LEU 11 57.722 -12.506 27.492 77 HD13 LEU 11 HD13 LEU 11 59.089 -12.676 28.591 78 HD21 LEU 11 HD21 LEU 11 59.866 -9.518 29.377 79 HD22 LEU 11 HD22 LEU 11 60.828 -9.960 27.969 80 HD23 LEU 11 HD23 LEU 11 60.432 -11.170 29.186 81 H GLU 12 HN GLU 12 56.479 -8.280 25.033 82 HA GLU 12 HA GLU 12 56.225 -7.560 22.872 83 HB2 GLU 12 HB2 GLU 12 57.926 -5.279 23.930 84 HB3 GLU 12 HB1 GLU 12 56.954 -5.237 22.468 85 HG2 GLU 12 HG2 GLU 12 54.920 -5.719 23.934 86 HG3 GLU 12 HG1 GLU 12 55.976 -5.481 25.324 87 HA PRO 13 HA PRO 13 60.524 -9.281 21.780 88 HB2 PRO 13 HB2 PRO 13 58.890 -10.852 19.865 89 HB3 PRO 13 HB1 PRO 13 60.191 -11.383 20.941 90 HG2 PRO 13 HG2 PRO 13 57.603 -11.939 21.395 91 HG3 PRO 13 HG1 PRO 13 58.788 -11.722 22.694 92 HD2 PRO 13 HD2 PRO 13 56.610 -9.912 21.810 93 HD3 PRO 13 HD1 PRO 13 57.362 -10.098 23.405 94 H ARG 14 HN ARG 14 57.758 -8.387 19.759 95 HA ARG 14 HA ARG 14 59.206 -7.845 17.383 96 HB2 ARG 14 HB2 ARG 14 56.556 -6.815 18.413 97 HB3 ARG 14 HB1 ARG 14 57.188 -6.423 16.818 98 HG2 ARG 14 HG2 ARG 14 57.174 -8.778 16.161 99 HG3 ARG 14 HG1 ARG 14 56.745 -9.273 17.797 100 HD2 ARG 14 HD2 ARG 14 55.000 -7.506 16.044 101 HD3 ARG 14 HD1 ARG 14 54.800 -9.248 16.170 102 HE ARG 14 HE ARG 14 53.998 -7.259 18.128 103 HH11 ARG 14 HH21 ARG 14 54.939 -10.555 17.640 104 HH12 ARG 14 HH22 ARG 14 54.162 -11.124 19.078 105 HH21 ARG 14 HH11 ARG 14 52.975 -8.001 19.998 106 HH22 ARG 14 HH12 ARG 14 53.054 -9.681 20.416 107 H GLY 15 HN GLY 15 58.313 -5.833 20.157 108 HA2 GLY 15 HA2 GLY 15 59.233 -3.375 19.053 109 HA3 GLY 15 HA1 GLY 15 58.951 -3.698 20.761 110 H GLY 16 HN GLY 16 61.147 -2.229 19.490 111 HA2 GLY 16 HA2 GLY 16 63.304 -3.171 21.040 112 HA3 GLY 16 HA1 GLY 16 63.538 -3.680 19.371 113 H LYS 17 HN LYS 17 65.388 -2.063 20.360 114 HA LYS 17 HA LYS 17 64.855 0.728 19.983 115 HB2 LYS 17 HB2 LYS 17 67.537 -0.684 19.908 116 HB3 LYS 17 HB1 LYS 17 67.226 0.997 20.314 117 HG2 LYS 17 HG2 LYS 17 66.425 -1.439 21.981 118 HG3 LYS 17 HG1 LYS 17 67.708 -0.297 22.354 119 HD2 LYS 17 HD2 LYS 17 65.800 1.510 22.344 120 HD3 LYS 17 HD1 LYS 17 64.723 0.130 22.471 121 HE2 LYS 17 HE2 LYS 17 66.148 -0.613 24.448 122 HE3 LYS 17 HE1 LYS 17 66.849 1.009 24.408 123 HZ1 LYS 17 HZ1 LYS 17 65.083 1.713 25.510 124 HZ2 LYS 17 HZ2 LYS 17 64.336 0.190 25.410 125 HZ3 LYS 17 HZ3 LYS 17 64.115 1.332 24.170 126 H HIS 18 HN HIS 18 66.544 -1.764 18.145 127 HA HIS 18 HA HIS 18 67.282 -0.304 16.003 128 HB2 HIS 18 HB2 HIS 18 67.158 -3.018 16.554 129 HB3 HIS 18 HB1 HIS 18 66.167 -2.858 15.117 130 HD2 HIS 18 HD2 HIS 18 68.136 -0.484 13.700 131 HE1 HIS 18 HE1 HIS 18 70.993 -3.561 13.789 132 H ILE 19 HN ILE 19 64.094 -1.378 16.667 133 HA ILE 19 HA ILE 19 63.071 -0.336 14.083 134 HB ILE 19 HB ILE 19 61.971 -2.444 15.953 135 HG12 ILE 19 HG12 ILE 19 62.346 -2.780 12.987 136 HG13 ILE 19 HG11 ILE 19 63.769 -2.866 14.010 137 HG21 ILE 19 HG21 ILE 19 59.934 -1.460 15.317 138 HG22 ILE 19 HG22 ILE 19 60.177 -2.578 13.991 139 HG23 ILE 19 HG23 ILE 19 60.565 -0.878 13.768 140 HD11 ILE 19 HD11 ILE 19 62.926 -4.757 15.201 141 HD12 ILE 19 HD12 ILE 19 62.598 -5.081 13.501 142 HD13 ILE 19 HD13 ILE 19 61.297 -4.532 14.556 143 H CYS 20 HN CYS 20 62.168 1.530 14.190 144 HA CYS 20 HA CYS 20 61.348 2.718 16.715 145 HB2 CYS 20 HB2 CYS 20 62.282 4.142 15.013 146 HB3 CYS 20 HB1 CYS 20 61.087 3.621 13.850 147 H ALA 21 HN ALA 21 59.148 3.199 17.283 148 HA ALA 21 HA ALA 21 57.254 1.174 16.485 149 HB1 ALA 21 HB1 ALA 21 57.425 2.065 18.797 150 HB2 ALA 21 HB2 ALA 21 55.799 2.182 18.126 151 HB3 ALA 21 HB3 ALA 21 56.827 3.614 18.206 152 H ILE 22 HN ILE 22 58.070 4.224 15.321 153 HA ILE 22 HA ILE 22 55.473 4.660 13.978 154 HB ILE 22 HB ILE 22 57.632 6.614 14.821 155 HG12 ILE 22 HG12 ILE 22 54.724 6.867 15.521 156 HG13 ILE 22 HG11 ILE 22 55.670 5.684 16.403 157 HG21 ILE 22 HG21 ILE 22 55.310 7.004 12.917 158 HG22 ILE 22 HG22 ILE 22 56.942 7.657 12.815 159 HG23 ILE 22 HG23 ILE 22 55.800 8.328 13.963 160 HD11 ILE 22 HD11 ILE 22 57.145 7.360 17.268 161 HD12 ILE 22 HD12 ILE 22 55.518 8.010 17.447 162 HD13 ILE 22 HD13 ILE 22 56.548 8.575 16.134 163 H CYS 23 HN CYS 23 58.738 5.847 13.306 164 HA CYS 23 HA CYS 23 58.405 5.792 10.518 165 HB2 CYS 23 HB2 CYS 23 61.099 5.733 11.747 166 HB3 CYS 23 HB1 CYS 23 60.501 6.732 10.427 167 H GLY 24 HN GLY 24 59.207 3.369 12.709 168 HA2 GLY 24 HA2 GLY 24 59.411 1.094 12.255 169 HA3 GLY 24 HA1 GLY 24 59.635 1.450 10.568 170 H ASN 25 HN ASN 25 61.933 3.500 11.599 171 HA ASN 25 HA ASN 25 63.911 1.729 12.662 172 HB2 ASN 25 HB2 ASN 25 63.560 1.843 9.746 173 HB3 ASN 25 HB1 ASN 25 65.213 2.132 10.237 174 HD21 ASN 25 HD21 ASN 25 62.955 -0.291 9.583 175 HD22 ASN 25 HD22 ASN 25 63.778 -1.586 10.300 176 H ASN 26 HN ASN 26 62.908 4.657 12.840 177 HA ASN 26 HA ASN 26 65.431 6.135 12.251 178 HB2 ASN 26 HB2 ASN 26 62.724 7.024 13.110 179 HB3 ASN 26 HB1 ASN 26 64.090 8.083 13.262 180 HD21 ASN 26 HD21 ASN 26 62.877 5.828 10.695 181 HD22 ASN 26 HD22 ASN 26 63.127 6.934 9.431 182 H ALA 27 HN ALA 27 64.223 4.296 14.650 183 HA ALA 27 HA ALA 27 65.215 5.733 16.954 184 HB1 ALA 27 HB1 ALA 27 64.702 3.493 18.101 185 HB2 ALA 27 HB2 ALA 27 64.065 2.966 16.537 186 HB3 ALA 27 HB3 ALA 27 63.338 4.336 17.375 187 H GLU 28 HN GLU 28 67.282 5.941 15.579 188 HA GLU 28 HA GLU 28 69.235 4.185 16.680 189 HB2 GLU 28 HB2 GLU 28 68.523 2.821 14.742 190 HB3 GLU 28 HB1 GLU 28 68.779 4.191 13.679 191 HG2 GLU 28 HG2 GLU 28 71.148 4.082 13.942 192 HG3 GLU 28 HG1 GLU 28 71.022 2.989 15.325 193 H ASP 29 HN ASP 29 68.859 6.359 13.897 194 HA ASP 29 HA ASP 29 71.334 7.772 14.619 195 HB2 ASP 29 HB2 ASP 29 70.873 8.824 12.282 196 HB3 ASP 29 HB1 ASP 29 71.484 7.180 12.405 197 H TYR 30 HN TYR 30 68.577 9.137 12.901 198 HA TYR 30 HA TYR 30 68.434 11.362 14.863 199 HB2 TYR 30 HB2 TYR 30 67.728 11.266 11.924 200 HB3 TYR 30 HB1 TYR 30 67.497 12.654 12.976 201 HD1 TYR 30 HD1 TYR 30 69.523 13.672 14.173 202 HD2 TYR 30 HD2 TYR 30 69.942 10.856 10.939 203 HE1 TYR 30 HE1 TYR 30 71.863 14.394 13.834 204 HE2 TYR 30 HE2 TYR 30 72.277 11.580 10.616 205 HH TYR 30 HH TYR 30 73.910 12.901 11.328 206 H LYS 31 HN LYS 31 66.318 12.343 15.063 207 HA LYS 31 HA LYS 31 64.053 10.462 14.788 208 HB2 LYS 31 HB2 LYS 31 64.815 12.146 17.199 209 HB3 LYS 31 HB1 LYS 31 63.283 11.297 17.052 210 HG2 LYS 31 HG2 LYS 31 64.494 9.127 16.913 211 HG3 LYS 31 HG1 LYS 31 66.026 9.977 17.066 212 HD2 LYS 31 HD2 LYS 31 65.357 10.792 19.318 213 HD3 LYS 31 HD1 LYS 31 63.818 9.952 19.167 214 HE2 LYS 31 HE2 LYS 31 65.001 7.784 19.048 215 HE3 LYS 31 HE1 LYS 31 66.552 8.616 19.174 216 HZ1 LYS 31 HZ1 LYS 31 66.092 8.021 21.331 217 HZ2 LYS 31 HZ2 LYS 31 64.427 8.333 21.191 218 HZ3 LYS 31 HZ3 LYS 31 65.533 9.621 21.282 219 H HIS 32 HN HIS 32 64.607 12.341 12.925 220 HA HIS 32 HA HIS 32 63.038 14.744 13.448 221 HB2 HIS 32 HB2 HIS 32 64.813 13.767 11.281 222 HB3 HIS 32 HB1 HIS 32 63.572 14.950 10.866 223 HD2 HIS 32 HD2 HIS 32 64.010 17.544 11.887 224 HE1 HIS 32 HE1 HIS 32 67.606 16.668 13.921 225 HE2 HIS 32 HE2 HIS 32 66.042 18.536 13.199 226 H THR 33 HN THR 33 62.721 11.726 11.637 227 HA THR 33 HA THR 33 60.259 12.544 10.338 228 HB THR 33 HB THR 33 60.259 10.378 9.345 229 HG1 THR 33 HG1 THR 33 61.732 9.778 11.607 230 HG21 THR 33 HG21 THR 33 63.213 10.920 9.659 231 HG22 THR 33 HG22 THR 33 62.189 12.019 8.737 232 HG23 THR 33 HG23 THR 33 62.347 10.335 8.243 233 H ASP 34 HN ASP 34 61.012 11.602 13.440 234 HA ASP 34 HA ASP 34 58.824 9.901 14.071 235 HB2 ASP 34 HB2 ASP 34 60.652 11.658 15.659 236 HB3 ASP 34 HB1 ASP 34 59.217 10.985 16.426 237 H MET 35 HN MET 35 59.175 13.347 13.822 238 HA MET 35 HA MET 35 56.729 14.064 15.063 239 HB2 MET 35 HB2 MET 35 58.528 15.441 13.069 240 HB3 MET 35 HB1 MET 35 57.033 16.184 13.630 241 HG2 MET 35 HG2 MET 35 57.812 16.212 15.918 242 HG3 MET 35 HG1 MET 35 59.186 15.185 15.517 243 HE1 MET 35 HE1 MET 35 58.199 18.755 16.292 244 HE2 MET 35 HE2 MET 35 57.374 18.515 14.753 245 HE3 MET 35 HE3 MET 35 58.684 19.683 14.870 246 H ASP 36 HN ASP 36 57.586 13.384 11.691 247 HA ASP 36 HA ASP 36 54.853 13.804 10.740 248 HB2 ASP 36 HB2 ASP 36 57.312 12.790 9.304 249 HB3 ASP 36 HB1 ASP 36 55.781 13.231 8.552 250 H LEU 37 HN LEU 37 53.440 12.244 10.153 251 HA LEU 37 HA LEU 37 53.913 9.502 11.102 252 HB2 LEU 37 HB2 LEU 37 51.388 10.532 9.838 253 HB3 LEU 37 HB1 LEU 37 51.570 9.217 10.992 254 HG LEU 37 HG LEU 37 51.837 12.208 11.580 255 HD11 LEU 37 HD11 LEU 37 49.918 10.198 12.762 256 HD12 LEU 37 HD12 LEU 37 49.516 11.283 11.429 257 HD13 LEU 37 HD13 LEU 37 49.939 11.943 13.004 258 HD21 LEU 37 HD21 LEU 37 52.540 9.814 13.301 259 HD22 LEU 37 HD22 LEU 37 51.991 11.322 14.025 260 HD23 LEU 37 HD23 LEU 37 53.458 11.304 13.048 261 H THR 38 HN THR 38 54.993 10.863 8.552 262 HA THR 38 HA THR 38 53.831 9.276 6.415 263 HB THR 38 HB THR 38 55.817 10.267 5.133 264 HG1 THR 38 HG1 THR 38 57.173 10.798 6.773 265 HG21 THR 38 HG21 THR 38 53.706 11.311 4.806 266 HG22 THR 38 HG22 THR 38 54.796 12.620 5.250 267 HG23 THR 38 HG23 THR 38 53.687 11.959 6.447 268 H TYR 39 HN TYR 39 55.058 7.758 5.164 269 HA TYR 39 HA TYR 39 56.617 5.940 6.808 270 HB2 TYR 39 HB2 TYR 39 55.711 5.830 3.928 271 HB3 TYR 39 HB1 TYR 39 56.590 4.543 4.741 272 HD1 TYR 39 HD1 TYR 39 53.363 6.392 4.625 273 HD2 TYR 39 HD2 TYR 39 55.521 3.184 6.530 274 HE1 TYR 39 HE1 TYR 39 51.260 5.540 5.595 275 HE2 TYR 39 HE2 TYR 39 53.414 2.346 7.493 276 HH TYR 39 HH TYR 39 51.230 3.003 7.990 277 H THR 40 HN THR 40 58.769 5.587 6.722 278 HA THR 40 HA THR 40 60.475 7.544 5.637 279 HB THR 40 HB THR 40 61.079 4.726 6.583 280 HG1 THR 40 HG1 THR 40 61.132 5.574 8.496 281 HG21 THR 40 HG21 THR 40 62.929 6.939 5.695 282 HG22 THR 40 HG22 THR 40 63.071 5.195 5.467 283 HG23 THR 40 HG23 THR 40 63.402 5.904 7.041 284 H ASP 41 HN ASP 41 59.807 4.198 4.600 285 HA ASP 41 HA ASP 41 61.369 4.518 2.170 286 HB2 ASP 41 HB2 ASP 41 61.370 2.349 3.347 287 HB3 ASP 41 HB1 ASP 41 59.631 2.211 3.106 288 H ARG 42 HN ARG 42 60.491 5.716 0.601 289 HA ARG 42 HA ARG 42 57.722 6.212 0.276 290 HB2 ARG 42 HB2 ARG 42 60.066 6.485 -1.620 291 HB3 ARG 42 HB1 ARG 42 58.443 7.038 -2.012 292 HG2 ARG 42 HG2 ARG 42 58.478 8.621 -0.124 293 HG3 ARG 42 HG1 ARG 42 60.036 8.004 0.406 294 HD2 ARG 42 HD2 ARG 42 60.301 10.126 -0.803 295 HD3 ARG 42 HD1 ARG 42 61.058 8.826 -1.720 296 HE ARG 42 HE ARG 42 58.362 9.150 -2.552 297 HH11 ARG 42 HH21 ARG 42 61.448 10.706 -2.665 298 HH12 ARG 42 HH22 ARG 42 61.153 11.473 -4.189 299 HH21 ARG 42 HH11 ARG 42 57.978 10.134 -4.552 300 HH22 ARG 42 HH12 ARG 42 59.191 11.150 -5.257 301 H ASP 43 HN ASP 43 59.959 4.001 -1.381 302 HA ASP 43 HA ASP 43 58.021 2.946 -3.176 303 HB2 ASP 43 HB2 ASP 43 60.559 2.818 -3.388 304 HB3 ASP 43 HB1 ASP 43 60.492 1.517 -2.203 305 H TYR 44 HN TYR 44 56.556 1.390 -2.918 306 HA TYR 44 HA TYR 44 55.775 0.491 -0.361 307 HB2 TYR 44 HB2 TYR 44 55.107 -0.681 -3.069 308 HB3 TYR 44 HB1 TYR 44 54.246 -1.008 -1.573 309 HD1 TYR 44 HD1 TYR 44 54.954 1.573 -4.150 310 HD2 TYR 44 HD2 TYR 44 52.793 0.719 -0.517 311 HE1 TYR 44 HE1 TYR 44 53.582 3.593 -4.482 312 HE2 TYR 44 HE2 TYR 44 51.428 2.748 -0.863 313 HH TYR 44 HH TYR 44 51.904 5.074 -2.213 314 H LYS 45 HN LYS 45 57.467 -1.178 -3.002 315 HA LYS 45 HA LYS 45 57.838 -3.606 -1.481 316 HB2 LYS 45 HB2 LYS 45 59.026 -2.632 -4.093 317 HB3 LYS 45 HB1 LYS 45 59.339 -4.221 -3.408 318 HG2 LYS 45 HG2 LYS 45 56.937 -4.784 -3.527 319 HG3 LYS 45 HG1 LYS 45 56.570 -3.170 -4.129 320 HD2 LYS 45 HD2 LYS 45 57.890 -3.616 -6.177 321 HD3 LYS 45 HD1 LYS 45 58.319 -5.210 -5.568 322 HE2 LYS 45 HE2 LYS 45 55.933 -5.875 -5.614 323 HE3 LYS 45 HE1 LYS 45 55.496 -4.269 -6.201 324 HZ1 LYS 45 HZ1 LYS 45 55.732 -5.253 -8.181 325 HZ2 LYS 45 HZ2 LYS 45 56.745 -6.482 -7.588 326 HZ3 LYS 45 HZ3 LYS 45 57.383 -4.948 -7.941 327 H ASN 46 HN ASN 46 59.509 -4.184 -0.244 328 HA ASN 46 HA ASN 46 61.462 -2.173 0.507 329 HB2 ASN 46 HB2 ASN 46 61.043 -5.021 1.448 330 HB3 ASN 46 HB1 ASN 46 62.184 -3.876 2.153 331 HD21 ASN 46 HD21 ASN 46 59.207 -5.139 2.727 332 HD22 ASN 46 HD22 ASN 46 58.466 -3.821 3.499 333 H CYS 47 HN CYS 47 62.683 -1.953 -1.427 334 HA CYS 47 HA CYS 47 64.072 -4.195 -2.597 335 HB2 CYS 47 HB2 CYS 47 63.689 -2.448 -4.113 336 HB3 CYS 47 HB1 CYS 47 64.168 -1.208 -2.955 337 HG CYS 47 HG CYS 47 66.528 -1.476 -3.663 338 H GLU 48 HN GLU 48 65.589 -5.210 -1.431 339 HA GLU 48 HA GLU 48 67.206 -3.851 0.560 340 HB2 GLU 48 HB2 GLU 48 67.250 -6.681 -0.521 341 HB3 GLU 48 HB1 GLU 48 68.309 -6.103 0.760 342 HG2 GLU 48 HG2 GLU 48 66.363 -5.627 2.202 343 HG3 GLU 48 HG1 GLU 48 65.265 -6.085 0.903 344 H SER 49 HN SER 49 68.907 -2.674 0.031 345 HA SER 49 HA SER 49 70.197 -2.849 -2.542 346 HB2 SER 49 HB2 SER 49 70.030 -0.681 -1.595 347 HB3 SER 49 HB1 SER 49 70.707 -1.212 -0.059 348 HG SER 49 HG SER 49 72.101 -1.370 -2.521 349 H TYR 50 HN TYR 50 71.893 -2.732 0.587 350 HA TYR 50 HA TYR 50 73.977 -4.488 -0.372 351 HB2 TYR 50 HB2 TYR 50 73.468 -2.978 2.167 352 HB3 TYR 50 HB1 TYR 50 74.731 -4.192 2.092 353 HD1 TYR 50 HD1 TYR 50 73.598 -0.918 0.711 354 HD2 TYR 50 HD2 TYR 50 76.771 -3.837 0.740 355 HE1 TYR 50 HE1 TYR 50 75.102 0.696 -0.396 356 HE2 TYR 50 HE2 TYR 50 78.265 -2.211 -0.367 357 HH TYR 50 HH TYR 50 78.043 -0.191 -1.805 358 H HIS 51 HN HIS 51 74.370 -6.524 0.224 359 HA HIS 51 HA HIS 51 72.182 -8.154 1.132 360 HB2 HIS 51 HB2 HIS 51 73.898 -8.909 -0.522 361 HB3 HIS 51 HB1 HIS 51 75.078 -8.958 0.787 362 HD2 HIS 51 HD2 HIS 51 75.075 -11.366 2.155 363 HE1 HIS 51 HE1 HIS 51 71.275 -12.742 0.933 364 HE2 HIS 51 HE2 HIS 51 73.365 -13.334 2.250 365 H LYS 52 HN LYS 52 74.705 -6.485 2.743 366 HA LYS 52 HA LYS 52 75.080 -8.208 4.962 367 HB2 LYS 52 HB2 LYS 52 75.408 -5.207 4.740 368 HB3 LYS 52 HB1 LYS 52 75.948 -6.168 6.114 369 HG2 LYS 52 HG2 LYS 52 77.448 -7.476 4.630 370 HG3 LYS 52 HG1 LYS 52 76.890 -6.555 3.241 371 HD2 LYS 52 HD2 LYS 52 77.830 -4.481 4.245 372 HD3 LYS 52 HD1 LYS 52 78.376 -5.408 5.637 373 HE2 LYS 52 HE2 LYS 52 79.861 -6.746 4.186 374 HE3 LYS 52 HE1 LYS 52 79.295 -5.855 2.772 375 HZ1 LYS 52 HZ1 LYS 52 80.267 -4.270 5.000 376 HZ2 LYS 52 HZ2 LYS 52 80.468 -4.049 3.326 377 HZ3 LYS 52 HZ3 LYS 52 81.429 -5.174 4.158 378 H CYS 53 HN CYS 53 72.857 -5.510 4.431 379 HA CYS 53 HA CYS 53 71.730 -5.206 6.918 380 HB2 CYS 53 HB2 CYS 53 70.605 -3.740 5.658 381 HB3 CYS 53 HB1 CYS 53 70.943 -4.648 4.186 382 HG CYS 53 HG CYS 53 68.440 -4.959 4.379 383 H SER 54 HN SER 54 70.195 -6.184 8.124 384 HA SER 54 HA SER 54 68.652 -8.461 7.202 385 HB2 SER 54 HB2 SER 54 70.924 -9.471 7.663 386 HB3 SER 54 HB1 SER 54 70.755 -8.930 9.329 387 HG SER 54 HG SER 54 70.037 -11.066 9.085 388 H ASP 55 HN ASP 55 68.550 -5.782 8.666 389 HA ASP 55 HA ASP 55 66.640 -6.619 10.752 390 HB2 ASP 55 HB2 ASP 55 68.848 -4.625 11.246 391 HB3 ASP 55 HB1 ASP 55 67.573 -5.046 12.378 392 H LEU 56 HN LEU 56 66.662 -5.287 8.024 393 HA LEU 56 HA LEU 56 65.527 -3.662 6.885 394 HB2 LEU 56 HB2 LEU 56 63.938 -3.355 9.423 395 HB3 LEU 56 HB1 LEU 56 63.431 -2.976 7.791 396 HG LEU 56 HG LEU 56 64.279 -5.745 7.836 397 HD11 LEU 56 HD11 LEU 56 62.635 -6.727 9.385 398 HD12 LEU 56 HD12 LEU 56 62.228 -5.125 9.990 399 HD13 LEU 56 HD13 LEU 56 63.847 -5.783 10.248 400 HD21 LEU 56 HD21 LEU 56 62.621 -4.819 6.256 401 HD22 LEU 56 HD22 LEU 56 61.476 -4.600 7.587 402 HD23 LEU 56 HD23 LEU 56 61.989 -6.216 7.122 403 H CYS 57 HN CYS 57 67.651 -3.020 8.986 404 HA CYS 57 HA CYS 57 67.166 -0.204 9.577 405 HB2 CYS 57 HB2 CYS 57 68.059 -1.449 11.306 406 HB3 CYS 57 HB1 CYS 57 69.246 -2.244 10.325 407 H GLN 58 HN GLN 58 67.652 1.222 8.142 408 HA GLN 58 HA GLN 58 69.007 0.651 5.750 409 HB2 GLN 58 HB2 GLN 58 68.688 2.990 5.224 410 HB3 GLN 58 HB1 GLN 58 67.243 2.379 6.020 411 HG2 GLN 58 HG2 GLN 58 68.365 3.331 8.230 412 HG3 GLN 58 HG1 GLN 58 69.342 4.274 7.109 413 HE21 GLN 58 HE21 GLN 58 68.490 6.263 6.645 414 HE22 GLN 58 HE22 GLN 58 66.838 6.652 6.667 415 H TYR 59 HN TYR 59 70.088 2.228 8.710 416 HA TYR 59 HA TYR 59 72.574 3.165 7.622 417 HB2 TYR 59 HB2 TYR 59 71.088 3.470 10.022 418 HB3 TYR 59 HB1 TYR 59 72.739 3.026 10.431 419 HD1 TYR 59 HD2 TYR 59 74.675 4.403 9.532 420 HD2 TYR 59 HD1 TYR 59 70.581 5.635 8.983 421 HE1 TYR 59 HE2 TYR 59 75.428 6.679 8.938 422 HE2 TYR 59 HE1 TYR 59 71.349 7.902 8.389 423 HH TYR 59 HH TYR 59 74.822 8.722 8.378 424 H CYS 60 HN CYS 60 71.510 0.205 9.086 425 HA CYS 60 HA CYS 60 73.972 -0.724 10.036 426 HB2 CYS 60 HB2 CYS 60 71.419 -1.926 9.271 427 HB3 CYS 60 HB1 CYS 60 72.781 -3.006 9.279 428 H ARG 61 HN ARG 61 72.705 -0.386 6.860 429 HA ARG 61 HA ARG 61 74.071 -2.328 5.401 430 HB2 ARG 61 HB2 ARG 61 73.359 0.514 4.645 431 HB3 ARG 61 HB1 ARG 61 73.861 -0.719 3.495 432 HG2 ARG 61 HG2 ARG 61 71.920 -2.112 4.085 433 HG3 ARG 61 HG1 ARG 61 71.413 -0.953 5.300 434 HD2 ARG 61 HD2 ARG 61 71.103 0.749 3.515 435 HD3 ARG 61 HD1 ARG 61 71.543 -0.446 2.308 436 HE ARG 61 HE ARG 61 69.017 -0.213 3.690 437 HH11 ARG 61 HH21 ARG 61 71.181 -2.410 2.128 438 HH12 ARG 61 HH22 ARG 61 69.945 -3.561 1.744 439 HH21 ARG 61 HH11 ARG 61 67.397 -1.705 3.187 440 HH22 ARG 61 HH12 ARG 61 67.802 -3.165 2.349 441 H TYR 62 HN TYR 62 75.153 0.846 6.477 442 HA TYR 62 HA TYR 62 77.769 0.567 5.198 443 HB2 TYR 62 HB2 TYR 62 76.570 2.758 6.891 444 HB3 TYR 62 HB1 TYR 62 78.157 2.820 6.140 445 HD1 TYR 62 HD1 TYR 62 74.501 2.745 5.468 446 HD2 TYR 62 HD2 TYR 62 78.412 3.113 3.688 447 HE1 TYR 62 HE1 TYR 62 73.479 3.517 3.356 448 HE2 TYR 62 HE2 TYR 62 77.375 3.879 1.587 449 HH TYR 62 HH TYR 62 73.877 4.416 1.344 450 H GLN 63 HN GLN 63 76.488 1.145 8.454 451 HA GLN 63 HA GLN 63 78.754 -0.329 9.663 452 HB2 GLN 63 HB2 GLN 63 77.761 2.425 10.474 453 HB3 GLN 63 HB1 GLN 63 78.808 1.425 11.474 454 HG2 GLN 63 HG2 GLN 63 80.552 1.476 9.706 455 HG3 GLN 63 HG1 GLN 63 79.491 2.449 8.695 456 HE21 GLN 63 HE21 GLN 63 81.632 3.825 8.981 457 HE22 GLN 63 HE22 GLN 63 81.589 4.955 10.246 458 H LYS 64 HN LYS 64 77.921 -1.930 10.687 459 HA LYS 64 HA LYS 64 75.294 -2.326 11.467 460 HB2 LYS 64 HB2 LYS 64 77.796 -3.448 12.708 461 HB3 LYS 64 HB1 LYS 64 76.189 -4.090 12.967 462 HG2 LYS 64 HG2 LYS 64 77.599 -3.948 10.256 463 HG3 LYS 64 HG1 LYS 64 77.552 -5.372 11.275 464 HD2 LYS 64 HD2 LYS 64 74.922 -5.146 11.067 465 HD3 LYS 64 HD1 LYS 64 75.297 -4.106 9.702 466 HE2 LYS 64 HE2 LYS 64 76.777 -6.003 8.840 467 HE3 LYS 64 HE1 LYS 64 75.986 -7.021 10.047 468 HZ1 LYS 64 HZ1 LYS 64 74.527 -5.407 8.033 469 HZ2 LYS 64 HZ2 LYS 64 73.878 -6.564 9.094 470 HZ3 LYS 64 HZ3 LYS 64 74.913 -7.047 7.836 471 H ASP 65 HN ASP 65 74.085 -2.003 13.178 472 HA ASP 65 HA ASP 65 75.178 -0.535 15.503 473 HB2 ASP 65 HB2 ASP 65 72.436 0.171 14.766 474 HB3 ASP 65 HB1 ASP 65 73.732 1.181 15.302 475 H LEU 66 HN LEU 66 74.769 -3.332 15.329 476 HA LEU 66 HA LEU 66 72.247 -4.063 16.524 477 HB2 LEU 66 HB2 LEU 66 74.887 -5.494 16.180 478 HB3 LEU 66 HB1 LEU 66 73.525 -6.256 16.988 479 HG LEU 66 HG LEU 66 73.056 -5.066 14.261 480 HD11 LEU 66 HD11 LEU 66 74.541 -7.647 14.797 481 HD12 LEU 66 HD12 LEU 66 75.019 -6.315 13.739 482 HD13 LEU 66 HD13 LEU 66 73.660 -7.346 13.301 483 HD21 LEU 66 HD21 LEU 66 71.366 -6.736 14.081 484 HD22 LEU 66 HD22 LEU 66 71.242 -6.224 15.755 485 HD23 LEU 66 HD23 LEU 66 72.078 -7.718 15.351 486 H ALA 67 HN ALA 67 74.628 -2.234 17.762 487 HA ALA 67 HA ALA 67 75.106 -3.387 20.312 488 HB1 ALA 67 HB1 ALA 67 75.362 -0.590 20.492 489 HB2 ALA 67 HB2 ALA 67 75.847 -1.016 18.851 490 HB3 ALA 67 HB3 ALA 67 76.649 -1.766 20.232 491 H ILE 68 HN ILE 68 72.902 -0.807 19.157 492 HA ILE 68 HA ILE 68 71.783 -0.320 21.679 493 HB ILE 68 HB ILE 68 69.816 0.639 20.283 494 HG12 ILE 68 HG12 ILE 68 71.791 0.612 18.011 495 HG13 ILE 68 HG11 ILE 68 70.744 -0.773 18.209 496 HG21 ILE 68 HG21 ILE 68 72.677 1.618 20.199 497 HG22 ILE 68 HG22 ILE 68 71.358 2.176 21.232 498 HG23 ILE 68 HG23 ILE 68 71.361 2.569 19.517 499 HD11 ILE 68 HD11 ILE 68 68.762 0.550 17.939 500 HD12 ILE 68 HD12 ILE 68 69.862 1.025 16.649 501 HD13 ILE 68 HD13 ILE 68 69.676 2.048 18.069 502 H HIS 69 HN HIS 69 70.723 -2.545 19.121 503 HA HIS 69 HA HIS 69 68.321 -3.385 20.268 504 HB2 HIS 69 HB2 HIS 69 69.124 -3.960 17.967 505 HB3 HIS 69 HB1 HIS 69 70.279 -5.074 18.695 506 HD2 HIS 69 HD2 HIS 69 66.331 -4.716 18.462 507 HE1 HIS 69 HE1 HIS 69 67.290 -8.705 19.460 508 HE2 HIS 69 HE2 HIS 69 65.396 -7.117 18.875 509 H HIS 70 HN HIS 70 71.637 -4.611 20.659 510 HA HIS 70 HA HIS 70 71.108 -5.519 23.346 511 HB2 HIS 70 HB2 HIS 70 70.169 -7.419 22.111 512 HB3 HIS 70 HB1 HIS 70 71.663 -7.565 21.184 513 HD2 HIS 70 HD2 HIS 70 73.616 -9.097 22.429 514 HE1 HIS 70 HE1 HIS 70 71.828 -9.304 26.244 515 HE2 HIS 70 HE2 HIS 70 73.760 -10.130 24.817 516 H GLN 71 HN GLN 71 72.903 -5.269 24.479 517 HA GLN 71 HA GLN 71 75.356 -4.481 23.224 518 HB2 GLN 71 HB2 GLN 71 74.695 -5.145 26.111 519 HB3 GLN 71 HB1 GLN 71 76.235 -4.481 25.577 520 HG2 GLN 71 HG2 GLN 71 75.114 -2.448 24.753 521 HG3 GLN 71 HG1 GLN 71 73.541 -3.120 25.172 522 HE21 GLN 71 HE21 GLN 71 73.744 -0.856 26.401 523 HE22 GLN 71 HE22 GLN 71 74.285 -0.974 28.006 524 H HIS 72 HN HIS 72 77.113 -5.641 22.747 525 HA HIS 72 HA HIS 72 76.954 -8.500 22.718 526 HB2 HIS 72 HB2 HIS 72 79.257 -6.632 22.112 527 HB3 HIS 72 HB1 HIS 72 79.239 -8.363 21.773 528 HD2 HIS 72 HD2 HIS 72 78.138 -5.106 20.083 529 HE1 HIS 72 HE1 HIS 72 76.128 -8.215 18.057 530 HE2 HIS 72 HE2 HIS 72 76.709 -5.746 17.993 531 H HIS 73 HN HIS 73 77.703 -9.943 24.140 532 HA HIS 73 HA HIS 73 78.681 -9.094 26.699 533 HB2 HIS 73 HB2 HIS 73 78.465 -11.851 25.467 534 HB3 HIS 73 HB1 HIS 73 78.845 -11.524 27.159 535 HD2 HIS 73 HD2 HIS 73 75.749 -12.036 25.001 536 HE1 HIS 73 HE1 HIS 73 74.410 -10.019 28.460 537 HE2 HIS 73 HE2 HIS 73 73.667 -11.298 26.394 538 H HIS 74 HN HIS 74 80.725 -9.045 27.466 539 HA HIS 74 HA HIS 74 82.909 -9.066 25.623 540 HB2 HIS 74 HB2 HIS 74 82.881 -8.972 28.648 541 HB3 HIS 74 HB1 HIS 74 84.294 -8.677 27.636 542 HD2 HIS 74 HD2 HIS 74 81.393 -6.688 29.110 543 HE1 HIS 74 HE1 HIS 74 82.888 -4.357 25.923 544 HE2 HIS 74 HE2 HIS 74 81.359 -4.347 27.947 545 H GLY 75 HN GLY 75 84.462 -10.575 25.266 546 HA2 GLY 75 HA2 GLY 75 85.602 -12.580 25.354 547 HA3 GLY 75 HA1 GLY 75 84.871 -12.877 26.928 548 H GLY 76 HN GLY 76 82.795 -12.137 24.260 549 HA2 GLY 76 HA2 GLY 76 81.293 -14.515 24.519 550 HA3 GLY 76 HA1 GLY 76 81.174 -13.371 23.186 551 H SER 77 HN SER 77 83.792 -13.525 22.200 552 HA SER 77 HA SER 77 83.633 -15.753 20.485 553 HB2 SER 77 HB2 SER 77 86.058 -14.077 21.166 554 HB3 SER 77 HB1 SER 77 85.887 -15.124 19.760 555 HG SER 77 HG SER 77 84.542 -12.727 20.394 556 H MET 78 HN MET 78 85.535 -15.177 23.413 557 HA MET 78 HA MET 78 87.012 -17.595 23.326 558 HB2 MET 78 HB2 MET 78 86.299 -15.681 25.552 559 HB3 MET 78 HB1 MET 78 87.247 -17.136 25.850 560 HG2 MET 78 HG2 MET 78 89.009 -16.395 24.388 561 HG3 MET 78 HG1 MET 78 88.007 -15.093 23.745 562 HE1 MET 78 HE1 MET 78 90.388 -15.217 27.641 563 HE2 MET 78 HE2 MET 78 90.896 -15.803 26.063 564 HE3 MET 78 HE3 MET 78 89.591 -16.621 26.922 565 H GLY 79 HN GLY 79 83.895 -16.732 24.733 566 HA2 GLY 79 HA2 GLY 79 83.463 -19.082 26.227 567 HA3 GLY 79 HA1 GLY 79 82.202 -18.024 25.601 568 H MET 80 HN MET 80 82.703 -18.269 22.858 569 HA MET 80 HA MET 80 81.294 -20.649 22.246 570 HB2 MET 80 HB2 MET 80 82.773 -18.625 20.552 571 HB3 MET 80 HB1 MET 80 81.962 -20.020 19.843 572 HG2 MET 80 HG2 MET 80 79.817 -19.293 20.644 573 HG3 MET 80 HG1 MET 80 80.547 -18.063 21.677 574 HE1 MET 80 HE1 MET 80 78.320 -17.183 20.252 575 HE2 MET 80 HE2 MET 80 78.711 -15.876 19.138 576 HE3 MET 80 HE3 MET 80 79.365 -15.854 20.773 577 H SER 81 HN SER 81 84.710 -19.756 21.996 578 HA SER 81 HA SER 81 85.592 -22.095 20.676 579 HB2 SER 81 HB2 SER 81 86.964 -20.051 20.868 580 HB3 SER 81 HB1 SER 81 87.112 -20.320 22.602 581 HG SER 81 HG SER 81 88.181 -21.777 20.447 582 H GLY 82 HN GLY 82 85.250 -21.280 24.106 583 HA2 GLY 82 HA2 GLY 82 86.393 -23.692 25.102 584 HA3 GLY 82 HA1 GLY 82 85.383 -22.572 26.011 585 H SER 83 HN SER 83 85.100 -25.242 26.468 586 HA SER 83 HA SER 83 83.178 -26.567 24.873 587 HB2 SER 83 HB2 SER 83 82.859 -28.017 26.848 588 HB3 SER 83 HB1 SER 83 84.564 -27.766 26.486 589 HG SER 83 HG SER 83 83.115 -26.156 28.311 590 H GLY 84 HN GLY 84 82.905 -24.342 27.589 591 HA2 GLY 84 HA2 GLY 84 81.130 -23.022 28.251 592 HA3 GLY 84 HA1 GLY 84 80.209 -23.634 26.882 593 H THR 85 HN THR 85 78.697 -23.357 28.936 594 HA THR 85 HA THR 85 78.693 -25.404 30.902 595 HB THR 85 HB THR 85 76.270 -24.699 31.201 596 HG1 THR 85 HG1 THR 85 76.973 -23.356 28.884 597 HG21 THR 85 HG21 THR 85 78.522 -22.675 31.256 598 HG22 THR 85 HG22 THR 85 77.850 -23.595 32.599 599 HG23 THR 85 HG23 THR 85 76.910 -22.301 31.860 600 H GLY 86 HN GLY 86 77.312 -25.151 27.677 601 HA2 GLY 86 HA2 GLY 86 77.023 -27.983 27.441 602 HA3 GLY 86 HA1 GLY 86 75.459 -27.209 27.676 603 H TYR 87 HN TYR 87 75.577 -28.457 25.388 604 HA TYR 87 HA TYR 87 76.796 -27.154 23.198 605 HB2 TYR 87 HB2 TYR 87 74.307 -28.869 23.321 606 HB3 TYR 87 HB1 TYR 87 75.086 -28.362 21.831 607 HD1 TYR 87 HD2 TYR 87 77.401 -29.162 21.250 608 HD2 TYR 87 HD1 TYR 87 75.347 -30.610 24.755 609 HE1 TYR 87 HE2 TYR 87 79.005 -31.030 21.431 610 HE2 TYR 87 HE1 TYR 87 76.960 -32.471 24.921 611 HH TYR 87 HH TYR 87 79.046 -33.327 22.422 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 38.977 1.241 25.301 2 H2 MET 1 HT2 MET 1 38.281 2.026 26.638 3 H3 MET 1 HT3 MET 1 37.339 0.999 25.667 4 HA MET 1 HA MET 1 37.953 -0.809 26.778 5 HB2 MET 1 HB2 MET 1 40.718 0.403 26.520 6 HB3 MET 1 HB1 MET 1 40.439 -1.095 27.402 7 HG2 MET 1 HG2 MET 1 39.398 -0.804 24.590 8 HG3 MET 1 HG1 MET 1 41.092 -1.195 24.854 9 HE1 MET 1 HE1 MET 1 41.807 -3.709 24.820 10 HE2 MET 1 HE2 MET 1 41.226 -4.686 26.164 11 HE3 MET 1 HE3 MET 1 41.877 -3.080 26.473 12 H GLY 2 HN GLY 2 39.652 2.076 27.988 13 HA2 GLY 2 HA2 GLY 2 39.546 3.123 30.045 14 HA3 GLY 2 HA1 GLY 2 38.208 2.056 30.471 15 H ALA 3 HN ALA 3 41.105 0.604 29.302 16 HA ALA 3 HA ALA 3 41.496 -1.110 31.414 17 HB1 ALA 3 HB1 ALA 3 43.932 -1.163 30.517 18 HB2 ALA 3 HB2 ALA 3 43.281 -0.117 29.254 19 HB3 ALA 3 HB3 ALA 3 42.603 -1.725 29.499 20 HA PRO 4 HA PRO 4 43.168 2.123 34.369 21 HB2 PRO 4 HB2 PRO 4 44.064 -0.124 36.057 22 HB3 PRO 4 HB1 PRO 4 43.014 1.244 36.459 23 HG2 PRO 4 HG2 PRO 4 42.132 -1.299 36.138 24 HG3 PRO 4 HG1 PRO 4 41.139 0.141 35.880 25 HD2 PRO 4 HD2 PRO 4 42.267 -1.727 33.883 26 HD3 PRO 4 HD1 PRO 4 40.867 -0.641 33.780 27 H VAL 5 HN VAL 5 45.207 2.965 34.714 28 HA VAL 5 HA VAL 5 47.622 1.400 34.469 29 HB VAL 5 HB VAL 5 47.076 1.622 32.088 30 HG11 VAL 5 HG11 VAL 5 46.214 3.438 31.104 31 HG12 VAL 5 HG12 VAL 5 47.453 4.491 31.778 32 HG13 VAL 5 HG13 VAL 5 46.006 4.136 32.707 33 HG21 VAL 5 HG21 VAL 5 49.189 3.684 32.138 34 HG22 VAL 5 HG22 VAL 5 49.183 2.087 31.406 35 HG23 VAL 5 HG23 VAL 5 49.557 2.261 33.110 36 HA PRO 6 HA PRO 6 47.778 5.406 37.024 37 HB2 PRO 6 HB2 PRO 6 49.388 3.701 38.832 38 HB3 PRO 6 HB1 PRO 6 48.051 4.797 39.208 39 HG2 PRO 6 HG2 PRO 6 47.816 2.121 39.267 40 HG3 PRO 6 HG1 PRO 6 46.473 3.205 38.874 41 HD2 PRO 6 HD2 PRO 6 48.070 1.454 37.072 42 HD3 PRO 6 HD1 PRO 6 46.386 1.996 36.931 43 H TYR 7 HN TYR 7 50.303 2.941 36.553 44 HA TYR 7 HA TYR 7 52.483 4.749 36.727 45 HB2 TYR 7 HB2 TYR 7 52.080 1.911 35.970 46 HB3 TYR 7 HB1 TYR 7 53.560 2.663 35.412 47 HD1 TYR 7 HD1 TYR 7 51.453 2.117 38.452 48 HD2 TYR 7 HD2 TYR 7 55.422 2.957 36.994 49 HE1 TYR 7 HE1 TYR 7 52.361 1.849 40.734 50 HE2 TYR 7 HE2 TYR 7 56.313 2.684 39.266 51 HH TYR 7 HH TYR 7 55.440 1.301 41.435 52 HA PRO 8 HA PRO 8 52.303 6.259 32.473 53 HB2 PRO 8 HB2 PRO 8 54.903 6.756 31.818 54 HB3 PRO 8 HB1 PRO 8 53.953 7.801 32.893 55 HG2 PRO 8 HG2 PRO 8 55.969 5.720 33.569 56 HG3 PRO 8 HG1 PRO 8 55.689 7.308 34.305 57 HD2 PRO 8 HD2 PRO 8 54.809 4.981 35.434 58 HD3 PRO 8 HD1 PRO 8 53.990 6.544 35.650 59 H ASP 9 HN ASP 9 54.563 3.720 33.133 60 HA ASP 9 HA ASP 9 53.927 2.315 30.634 61 HB2 ASP 9 HB2 ASP 9 56.707 3.273 31.324 62 HB3 ASP 9 HB1 ASP 9 56.388 1.989 30.157 63 HA PRO 10 HA PRO 10 54.842 -0.422 34.371 64 HB2 PRO 10 HB2 PRO 10 52.532 -1.929 34.271 65 HB3 PRO 10 HB1 PRO 10 52.759 -0.503 35.290 66 HG2 PRO 10 HG2 PRO 10 51.206 -0.828 32.830 67 HG3 PRO 10 HG1 PRO 10 51.028 0.349 34.134 68 HD2 PRO 10 HD2 PRO 10 52.134 0.827 31.603 69 HD3 PRO 10 HD1 PRO 10 52.247 1.910 33.004 70 H LEU 11 HN LEU 11 53.974 -0.862 31.114 71 HA LEU 11 HA LEU 11 54.127 -3.655 30.827 72 HB2 LEU 11 HB2 LEU 11 54.737 -1.391 28.926 73 HB3 LEU 11 HB1 LEU 11 54.736 -3.066 28.413 74 HG LEU 11 HG LEU 11 52.350 -1.661 29.712 75 HD11 LEU 11 HD11 LEU 11 53.062 -1.958 26.793 76 HD12 LEU 11 HD12 LEU 11 52.632 -0.497 27.681 77 HD13 LEU 11 HD13 LEU 11 51.405 -1.710 27.337 78 HD21 LEU 11 HD21 LEU 11 51.664 -3.842 29.900 79 HD22 LEU 11 HD22 LEU 11 52.710 -4.430 28.615 80 HD23 LEU 11 HD23 LEU 11 51.212 -3.602 28.218 81 H GLU 12 HN GLU 12 56.591 -1.164 30.667 82 HA GLU 12 HA GLU 12 58.873 -1.190 30.555 83 HB2 GLU 12 HB2 GLU 12 58.396 -3.588 32.335 84 HB3 GLU 12 HB1 GLU 12 59.978 -2.888 32.041 85 HG2 GLU 12 HG2 GLU 12 57.770 -1.081 32.972 86 HG3 GLU 12 HG1 GLU 12 58.570 -2.130 34.131 87 HA PRO 13 HA PRO 13 58.934 -4.648 27.354 88 HB2 PRO 13 HB2 PRO 13 59.363 -3.102 25.115 89 HB3 PRO 13 HB1 PRO 13 57.767 -3.629 25.675 90 HG2 PRO 13 HG2 PRO 13 59.042 -0.991 25.830 91 HG3 PRO 13 HG1 PRO 13 57.328 -1.426 25.820 92 HD2 PRO 13 HD2 PRO 13 58.829 -0.647 28.060 93 HD3 PRO 13 HD1 PRO 13 57.221 -1.390 28.089 94 H ARG 14 HN ARG 14 60.758 -5.474 26.283 95 HA ARG 14 HA ARG 14 63.328 -4.014 26.613 96 HB2 ARG 14 HB2 ARG 14 62.769 -6.942 27.157 97 HB3 ARG 14 HB1 ARG 14 64.367 -6.206 27.146 98 HG2 ARG 14 HG2 ARG 14 63.719 -4.728 29.039 99 HG3 ARG 14 HG1 ARG 14 62.105 -5.424 29.037 100 HD2 ARG 14 HD2 ARG 14 63.441 -6.431 30.805 101 HD3 ARG 14 HD1 ARG 14 63.084 -7.650 29.590 102 HE ARG 14 HE ARG 14 65.558 -6.391 28.995 103 HH11 ARG 14 HH21 ARG 14 64.071 -8.534 31.263 104 HH12 ARG 14 HH22 ARG 14 65.529 -9.407 31.605 105 HH21 ARG 14 HH11 ARG 14 67.471 -7.517 29.440 106 HH22 ARG 14 HH12 ARG 14 67.454 -8.829 30.571 107 H GLY 15 HN GLY 15 64.749 -4.167 24.998 108 HA2 GLY 15 HA2 GLY 15 65.658 -4.721 22.954 109 HA3 GLY 15 HA1 GLY 15 64.571 -6.105 22.879 110 H GLY 16 HN GLY 16 64.593 -5.274 20.557 111 HA2 GLY 16 HA2 GLY 16 63.257 -4.510 18.834 112 HA3 GLY 16 HA1 GLY 16 62.103 -3.936 20.031 113 H LYS 17 HN LYS 17 65.370 -2.916 20.430 114 HA LYS 17 HA LYS 17 64.702 -0.179 20.206 115 HB2 LYS 17 HB2 LYS 17 67.367 -1.620 20.110 116 HB3 LYS 17 HB1 LYS 17 67.196 0.126 20.265 117 HG2 LYS 17 HG2 LYS 17 66.011 -0.136 22.397 118 HG3 LYS 17 HG1 LYS 17 66.042 -1.887 22.234 119 HD2 LYS 17 HD2 LYS 17 68.523 -1.855 22.353 120 HD3 LYS 17 HD1 LYS 17 68.487 -0.102 22.522 121 HE2 LYS 17 HE2 LYS 17 67.225 -0.339 24.645 122 HE3 LYS 17 HE1 LYS 17 67.249 -2.094 24.459 123 HZ1 LYS 17 HZ1 LYS 17 69.155 -2.018 25.559 124 HZ2 LYS 17 HZ2 LYS 17 69.296 -0.333 25.396 125 HZ3 LYS 17 HZ3 LYS 17 69.849 -1.358 24.160 126 H HIS 18 HN HIS 18 66.598 -2.337 18.143 127 HA HIS 18 HA HIS 18 67.172 -0.690 16.068 128 HB2 HIS 18 HB2 HIS 18 67.362 -3.416 16.440 129 HB3 HIS 18 HB1 HIS 18 66.255 -3.305 15.082 130 HD2 HIS 18 HD2 HIS 18 67.866 -0.716 13.587 131 HE1 HIS 18 HE1 HIS 18 71.112 -3.385 13.553 132 H ILE 19 HN ILE 19 64.012 -1.869 16.778 133 HA ILE 19 HA ILE 19 62.957 -0.832 14.225 134 HB ILE 19 HB ILE 19 61.637 -2.677 16.228 135 HG12 ILE 19 HG12 ILE 19 63.395 -3.959 15.224 136 HG13 ILE 19 HG11 ILE 19 61.881 -4.483 14.524 137 HG21 ILE 19 HG21 ILE 19 60.560 -1.346 13.807 138 HG22 ILE 19 HG22 ILE 19 59.751 -1.972 15.237 139 HG23 ILE 19 HG23 ILE 19 60.219 -3.068 13.945 140 HD11 ILE 19 HD11 ILE 19 64.125 -2.942 13.236 141 HD12 ILE 19 HD12 ILE 19 62.500 -2.810 12.569 142 HD13 ILE 19 HD13 ILE 19 63.288 -4.377 12.664 143 H CYS 20 HN CYS 20 62.278 1.131 14.311 144 HA CYS 20 HA CYS 20 61.482 2.396 16.785 145 HB2 CYS 20 HB2 CYS 20 62.560 3.743 15.086 146 HB3 CYS 20 HB1 CYS 20 61.371 3.279 13.905 147 H ALA 21 HN ALA 21 59.342 3.109 17.304 148 HA ALA 21 HA ALA 21 57.291 1.210 16.601 149 HB1 ALA 21 HB1 ALA 21 56.928 3.782 18.124 150 HB2 ALA 21 HB2 ALA 21 57.633 2.342 18.856 151 HB3 ALA 21 HB3 ALA 21 55.980 2.300 18.243 152 H ILE 22 HN ILE 22 58.362 4.160 15.345 153 HA ILE 22 HA ILE 22 55.869 4.704 13.858 154 HB ILE 22 HB ILE 22 58.087 6.561 14.768 155 HG12 ILE 22 HG12 ILE 22 55.156 6.995 15.294 156 HG13 ILE 22 HG11 ILE 22 55.991 5.799 16.263 157 HG21 ILE 22 HG21 ILE 22 55.924 6.995 12.698 158 HG22 ILE 22 HG22 ILE 22 57.585 7.589 12.723 159 HG23 ILE 22 HG23 ILE 22 56.374 8.328 13.750 160 HD11 ILE 22 HD11 ILE 22 57.030 8.630 15.956 161 HD12 ILE 22 HD12 ILE 22 57.509 7.425 17.155 162 HD13 ILE 22 HD13 ILE 22 55.909 8.155 17.230 163 H CYS 23 HN CYS 23 59.208 5.774 13.285 164 HA CYS 23 HA CYS 23 59.054 5.603 10.511 165 HB2 CYS 23 HB2 CYS 23 61.669 5.364 11.889 166 HB3 CYS 23 HB1 CYS 23 61.227 6.356 10.508 167 H GLY 24 HN GLY 24 59.443 3.122 12.742 168 HA2 GLY 24 HA2 GLY 24 59.562 0.851 12.361 169 HA3 GLY 24 HA1 GLY 24 59.820 1.162 10.668 170 H ASN 25 HN ASN 25 62.215 3.037 11.643 171 HA ASN 25 HA ASN 25 64.090 1.144 12.747 172 HB2 ASN 25 HB2 ASN 25 63.723 1.221 9.840 173 HB3 ASN 25 HB1 ASN 25 65.396 1.389 10.309 174 HD21 ASN 25 HD21 ASN 25 66.149 -0.346 12.008 175 HD22 ASN 25 HD22 ASN 25 65.521 -1.910 11.802 176 H ASN 26 HN ASN 26 63.351 4.162 12.828 177 HA ASN 26 HA ASN 26 66.072 5.334 12.397 178 HB2 ASN 26 HB2 ASN 26 63.476 6.701 13.005 179 HB3 ASN 26 HB1 ASN 26 65.017 7.511 12.883 180 HD21 ASN 26 HD21 ASN 26 65.259 8.470 10.908 181 HD22 ASN 26 HD22 ASN 26 64.773 7.807 9.424 182 H ALA 27 HN ALA 27 64.732 3.608 14.695 183 HA ALA 27 HA ALA 27 65.350 5.185 17.059 184 HB1 ALA 27 HB1 ALA 27 63.570 3.755 17.448 185 HB2 ALA 27 HB2 ALA 27 64.887 2.858 18.164 186 HB3 ALA 27 HB3 ALA 27 64.292 2.422 16.554 187 H GLU 28 HN GLU 28 67.545 5.484 15.933 188 HA GLU 28 HA GLU 28 69.507 4.176 17.454 189 HB2 GLU 28 HB2 GLU 28 70.777 3.149 15.462 190 HB3 GLU 28 HB1 GLU 28 69.421 2.255 16.094 191 HG2 GLU 28 HG2 GLU 28 68.018 2.859 14.265 192 HG3 GLU 28 HG1 GLU 28 69.125 4.116 13.728 193 H ASP 29 HN ASP 29 68.448 6.534 15.278 194 HA ASP 29 HA ASP 29 70.980 7.982 15.511 195 HB2 ASP 29 HB2 ASP 29 71.029 6.539 13.394 196 HB3 ASP 29 HB1 ASP 29 69.756 7.565 12.758 197 H TYR 30 HN TYR 30 69.573 9.562 13.071 198 HA TYR 30 HA TYR 30 68.627 11.693 14.649 199 HB2 TYR 30 HB2 TYR 30 68.174 11.046 11.728 200 HB3 TYR 30 HB1 TYR 30 67.853 12.593 12.472 201 HD1 TYR 30 HD2 TYR 30 69.746 13.914 13.532 202 HD2 TYR 30 HD1 TYR 30 70.483 10.435 11.098 203 HE1 TYR 30 HE2 TYR 30 72.103 14.597 13.253 204 HE2 TYR 30 HE1 TYR 30 72.833 11.124 10.834 205 HH TYR 30 HH TYR 30 74.273 12.895 11.062 206 H LYS 31 HN LYS 31 66.648 12.189 15.390 207 HA LYS 31 HA LYS 31 64.404 10.335 14.884 208 HB2 LYS 31 HB2 LYS 31 64.951 12.256 17.169 209 HB3 LYS 31 HB1 LYS 31 63.484 11.296 17.021 210 HG2 LYS 31 HG2 LYS 31 64.825 9.206 17.107 211 HG3 LYS 31 HG1 LYS 31 66.299 10.158 17.251 212 HD2 LYS 31 HD2 LYS 31 65.482 11.093 19.409 213 HD3 LYS 31 HD1 LYS 31 64.004 10.150 19.261 214 HE2 LYS 31 HE2 LYS 31 65.338 8.054 19.337 215 HE3 LYS 31 HE1 LYS 31 66.814 9.008 19.500 216 HZ1 LYS 31 HZ1 LYS 31 64.838 9.811 21.379 217 HZ2 LYS 31 HZ2 LYS 31 66.434 9.292 21.646 218 HZ3 LYS 31 HZ3 LYS 31 65.176 8.155 21.523 219 H HIS 32 HN HIS 32 65.051 12.206 12.915 220 HA HIS 32 HA HIS 32 63.261 14.492 13.179 221 HB2 HIS 32 HB2 HIS 32 65.237 13.564 11.187 222 HB3 HIS 32 HB1 HIS 32 63.884 14.519 10.582 223 HD2 HIS 32 HD2 HIS 32 67.241 15.107 12.339 224 HE1 HIS 32 HE1 HIS 32 65.025 18.665 12.826 225 HE2 HIS 32 HE2 HIS 32 67.323 17.610 13.079 226 H THR 33 HN THR 33 63.250 11.321 11.722 227 HA THR 33 HA THR 33 60.901 11.764 10.116 228 HB THR 33 HB THR 33 60.997 9.227 9.920 229 HG1 THR 33 HG1 THR 33 62.510 9.524 11.994 230 HG21 THR 33 HG21 THR 33 63.302 11.024 9.145 231 HG22 THR 33 HG22 THR 33 61.987 10.427 8.134 232 HG23 THR 33 HG23 THR 33 63.255 9.328 8.671 233 H ASP 34 HN ASP 34 61.474 11.172 13.412 234 HA ASP 34 HA ASP 34 59.210 9.553 14.021 235 HB2 ASP 34 HB2 ASP 34 60.935 11.406 15.624 236 HB3 ASP 34 HB1 ASP 34 59.494 10.694 16.331 237 H MET 35 HN MET 35 59.676 13.047 13.875 238 HA MET 35 HA MET 35 57.008 13.678 14.724 239 HB2 MET 35 HB2 MET 35 59.094 15.314 13.256 240 HB3 MET 35 HB1 MET 35 57.571 15.966 13.840 241 HG2 MET 35 HG2 MET 35 58.196 15.368 16.170 242 HG3 MET 35 HG1 MET 35 59.719 14.703 15.587 243 HE1 MET 35 HE1 MET 35 61.868 16.152 15.850 244 HE2 MET 35 HE2 MET 35 61.952 17.604 14.860 245 HE3 MET 35 HE3 MET 35 61.411 16.095 14.142 246 H ASP 36 HN ASP 36 58.604 13.464 11.569 247 HA ASP 36 HA ASP 36 56.185 14.111 10.092 248 HB2 ASP 36 HB2 ASP 36 58.853 13.068 9.117 249 HB3 ASP 36 HB1 ASP 36 57.574 13.753 8.119 250 H LEU 37 HN LEU 37 55.674 12.587 8.201 251 HA LEU 37 HA LEU 37 55.340 9.797 9.185 252 HB2 LEU 37 HB2 LEU 37 53.730 11.296 7.106 253 HB3 LEU 37 HB1 LEU 37 53.375 9.691 7.719 254 HG LEU 37 HG LEU 37 53.287 12.293 9.325 255 HD11 LEU 37 HD11 LEU 37 50.862 11.907 9.454 256 HD12 LEU 37 HD12 LEU 37 51.021 10.505 8.402 257 HD13 LEU 37 HD13 LEU 37 51.389 12.119 7.788 258 HD21 LEU 37 HD21 LEU 37 52.935 9.426 10.197 259 HD22 LEU 37 HD22 LEU 37 51.988 10.693 10.966 260 HD23 LEU 37 HD23 LEU 37 53.745 10.759 11.021 261 H THR 38 HN THR 38 56.402 8.297 8.198 262 HA THR 38 HA THR 38 57.999 8.858 5.845 263 HB THR 38 HB THR 38 58.619 6.394 6.140 264 HG1 THR 38 HG1 THR 38 56.547 6.194 7.450 265 HG21 THR 38 HG21 THR 38 59.042 8.445 8.326 266 HG22 THR 38 HG22 THR 38 60.146 8.003 7.022 267 HG23 THR 38 HG23 THR 38 59.839 6.875 8.337 268 H TYR 39 HN TYR 39 58.012 7.383 3.988 269 HA TYR 39 HA TYR 39 55.346 7.064 2.886 270 HB2 TYR 39 HB2 TYR 39 58.103 6.554 1.767 271 HB3 TYR 39 HB1 TYR 39 56.621 6.349 0.854 272 HD1 TYR 39 HD2 TYR 39 58.854 8.832 2.487 273 HD2 TYR 39 HD1 TYR 39 55.245 8.315 0.182 274 HE1 TYR 39 HE2 TYR 39 58.813 11.243 1.989 275 HE2 TYR 39 HE1 TYR 39 55.221 10.728 -0.305 276 HH TYR 39 HH TYR 39 56.097 12.810 0.665 277 H THR 40 HN THR 40 54.284 5.167 2.489 278 HA THR 40 HA THR 40 54.952 2.879 3.993 279 HB THR 40 HB THR 40 53.039 3.216 1.656 280 HG1 THR 40 HG1 THR 40 51.767 4.002 3.096 281 HG21 THR 40 HG21 THR 40 51.918 1.196 2.946 282 HG22 THR 40 HG22 THR 40 53.566 0.848 3.451 283 HG23 THR 40 HG23 THR 40 53.158 0.893 1.737 284 H ASP 41 HN ASP 41 55.240 3.593 0.520 285 HA ASP 41 HA ASP 41 56.552 1.066 -0.071 286 HB2 ASP 41 HB2 ASP 41 55.102 2.045 -1.752 287 HB3 ASP 41 HB1 ASP 41 56.053 3.528 -1.762 288 H ARG 42 HN ARG 42 58.397 1.140 1.255 289 HA ARG 42 HA ARG 42 60.327 3.291 1.043 290 HB2 ARG 42 HB2 ARG 42 60.501 0.540 2.312 291 HB3 ARG 42 HB1 ARG 42 61.749 1.777 2.423 292 HG2 ARG 42 HG2 ARG 42 60.183 3.292 3.593 293 HG3 ARG 42 HG1 ARG 42 58.889 2.118 3.420 294 HD2 ARG 42 HD2 ARG 42 61.462 1.652 4.967 295 HD3 ARG 42 HD1 ARG 42 59.934 2.109 5.693 296 HE ARG 42 HE ARG 42 60.711 -0.515 4.793 297 HH11 ARG 42 HH21 ARG 42 58.008 1.585 5.275 298 HH12 ARG 42 HH22 ARG 42 56.879 0.292 5.483 299 HH21 ARG 42 HH11 ARG 42 59.247 -2.202 5.067 300 HH22 ARG 42 HH12 ARG 42 57.578 -1.849 5.363 301 H ASP 43 HN ASP 43 62.017 3.422 -0.274 302 HA ASP 43 HA ASP 43 62.314 1.497 -2.439 303 HB2 ASP 43 HB2 ASP 43 63.763 4.077 -1.808 304 HB3 ASP 43 HB1 ASP 43 63.989 3.121 -3.271 305 H TYR 44 HN TYR 44 63.383 -0.310 -1.985 306 HA TYR 44 HA TYR 44 65.630 -0.377 -0.105 307 HB2 TYR 44 HB2 TYR 44 64.308 -2.545 -1.744 308 HB3 TYR 44 HB1 TYR 44 65.572 -2.806 -0.560 309 HD1 TYR 44 HD1 TYR 44 62.022 -1.812 -1.033 310 HD2 TYR 44 HD2 TYR 44 65.112 -2.584 1.878 311 HE1 TYR 44 HE1 TYR 44 60.336 -1.848 0.762 312 HE2 TYR 44 HE2 TYR 44 63.410 -2.619 3.662 313 HH TYR 44 HH TYR 44 61.034 -2.960 3.942 314 H LYS 45 HN LYS 45 67.692 -0.252 -0.714 315 HA LYS 45 HA LYS 45 68.422 0.105 -3.471 316 HB2 LYS 45 HB2 LYS 45 70.085 -0.185 -0.953 317 HB3 LYS 45 HB1 LYS 45 70.757 0.189 -2.537 318 HG2 LYS 45 HG2 LYS 45 69.421 2.276 -2.637 319 HG3 LYS 45 HG1 LYS 45 68.685 1.891 -1.084 320 HD2 LYS 45 HD2 LYS 45 70.915 2.046 0.011 321 HD3 LYS 45 HD1 LYS 45 71.656 2.407 -1.543 322 HE2 LYS 45 HE2 LYS 45 70.318 4.490 -1.700 323 HE3 LYS 45 HE1 LYS 45 69.569 4.124 -0.145 324 HZ1 LYS 45 HZ1 LYS 45 72.002 5.397 -0.633 325 HZ2 LYS 45 HZ2 LYS 45 72.343 3.918 0.133 326 HZ3 LYS 45 HZ3 LYS 45 71.289 5.034 0.862 327 H ASN 46 HN ASN 46 69.240 -1.318 -4.881 328 HA ASN 46 HA ASN 46 68.997 -4.099 -4.424 329 HB2 ASN 46 HB2 ASN 46 70.292 -2.466 -6.597 330 HB3 ASN 46 HB1 ASN 46 70.347 -4.225 -6.608 331 HD21 ASN 46 HD21 ASN 46 68.539 -1.619 -7.711 332 HD22 ASN 46 HD22 ASN 46 67.057 -2.410 -7.948 333 H CYS 47 HN CYS 47 71.791 -1.922 -4.439 334 HA CYS 47 HA CYS 47 73.743 -3.988 -4.064 335 HB2 CYS 47 HB2 CYS 47 74.609 -2.009 -4.980 336 HB3 CYS 47 HB1 CYS 47 73.753 -0.991 -3.821 337 HG CYS 47 HG CYS 47 75.404 -2.139 -1.964 338 H GLU 48 HN GLU 48 73.810 -5.200 -2.302 339 HA GLU 48 HA GLU 48 73.599 -3.969 0.395 340 HB2 GLU 48 HB2 GLU 48 72.372 -6.583 -0.538 341 HB3 GLU 48 HB1 GLU 48 72.488 -6.081 1.147 342 HG2 GLU 48 HG2 GLU 48 71.064 -4.101 0.659 343 HG3 GLU 48 HG1 GLU 48 70.977 -4.584 -1.031 344 H SER 49 HN SER 49 75.534 -4.116 1.261 345 HA SER 49 HA SER 49 77.576 -5.869 0.418 346 HB2 SER 49 HB2 SER 49 77.987 -3.734 1.592 347 HB3 SER 49 HB1 SER 49 77.291 -4.415 3.059 348 HG SER 49 HG SER 49 79.504 -5.488 1.638 349 H TYR 50 HN TYR 50 75.357 -5.982 3.172 350 HA TYR 50 HA TYR 50 75.661 -8.896 3.401 351 HB2 TYR 50 HB2 TYR 50 76.153 -6.951 5.663 352 HB3 TYR 50 HB1 TYR 50 75.895 -8.665 5.884 353 HD1 TYR 50 HD1 TYR 50 77.514 -10.345 4.931 354 HD2 TYR 50 HD2 TYR 50 78.321 -6.110 4.813 355 HE1 TYR 50 HE1 TYR 50 79.887 -10.803 4.440 356 HE2 TYR 50 HE2 TYR 50 80.689 -6.585 4.312 357 HH TYR 50 HH TYR 50 81.981 -9.849 4.418 358 H HIS 51 HN HIS 51 73.784 -9.863 3.870 359 HA HIS 51 HA HIS 51 71.362 -8.261 4.070 360 HB2 HIS 51 HB2 HIS 51 71.723 -11.262 4.075 361 HB3 HIS 51 HB1 HIS 51 70.211 -10.389 3.827 362 HD2 HIS 51 HD2 HIS 51 69.782 -9.527 1.219 363 HE1 HIS 51 HE1 HIS 51 73.597 -10.483 -0.312 364 HE2 HIS 51 HE2 HIS 51 71.276 -9.655 -0.916 365 H LYS 52 HN LYS 52 73.427 -8.585 6.360 366 HA LYS 52 HA LYS 52 72.249 -10.064 8.441 367 HB2 LYS 52 HB2 LYS 52 74.050 -7.632 8.468 368 HB3 LYS 52 HB1 LYS 52 73.587 -8.492 9.928 369 HG2 LYS 52 HG2 LYS 52 74.744 -10.120 7.690 370 HG3 LYS 52 HG1 LYS 52 75.839 -9.048 8.548 371 HD2 LYS 52 HD2 LYS 52 75.429 -10.149 10.645 372 HD3 LYS 52 HD1 LYS 52 74.059 -11.046 9.996 373 HE2 LYS 52 HE2 LYS 52 75.516 -12.376 8.585 374 HE3 LYS 52 HE1 LYS 52 76.908 -11.370 8.999 375 HZ1 LYS 52 HZ1 LYS 52 76.772 -12.091 11.252 376 HZ2 LYS 52 HZ2 LYS 52 76.779 -13.469 10.260 377 HZ3 LYS 52 HZ3 LYS 52 75.327 -12.930 10.961 378 H CYS 53 HN CYS 53 71.986 -6.571 7.631 379 HA CYS 53 HA CYS 53 69.292 -6.467 8.746 380 HB2 CYS 53 HB2 CYS 53 71.266 -6.005 10.571 381 HB3 CYS 53 HB1 CYS 53 71.036 -4.387 9.928 382 HG CYS 53 HG CYS 53 69.135 -5.767 11.796 383 H SER 54 HN SER 54 71.131 -5.893 6.340 384 HA SER 54 HA SER 54 71.082 -3.146 5.770 385 HB2 SER 54 HB2 SER 54 71.207 -5.606 4.077 386 HB3 SER 54 HB1 SER 54 70.999 -4.039 3.310 387 HG SER 54 HG SER 54 72.950 -4.274 5.296 388 H ASP 55 HN ASP 55 68.719 -5.673 4.907 389 HA ASP 55 HA ASP 55 66.981 -3.926 3.503 390 HB2 ASP 55 HB2 ASP 55 66.936 -6.349 3.206 391 HB3 ASP 55 HB1 ASP 55 66.425 -6.558 4.879 392 H LEU 56 HN LEU 56 66.714 -5.321 6.778 393 HA LEU 56 HA LEU 56 64.380 -3.945 7.513 394 HB2 LEU 56 HB2 LEU 56 66.631 -4.973 9.276 395 HB3 LEU 56 HB1 LEU 56 65.048 -4.506 9.863 396 HG LEU 56 HG LEU 56 65.616 -6.767 7.878 397 HD11 LEU 56 HD11 LEU 56 64.963 -8.272 9.775 398 HD12 LEU 56 HD12 LEU 56 65.051 -6.882 10.849 399 HD13 LEU 56 HD13 LEU 56 66.497 -7.439 10.005 400 HD21 LEU 56 HD21 LEU 56 63.040 -5.692 8.997 401 HD22 LEU 56 HD22 LEU 56 63.205 -7.435 8.830 402 HD23 LEU 56 HD23 LEU 56 63.386 -6.397 7.420 403 H CYS 57 HN CYS 57 67.636 -3.284 8.779 404 HA CYS 57 HA CYS 57 66.925 -0.502 9.360 405 HB2 CYS 57 HB2 CYS 57 67.974 -1.714 11.094 406 HB3 CYS 57 HB1 CYS 57 69.251 -2.278 10.065 407 H GLN 58 HN GLN 58 67.159 0.888 7.774 408 HA GLN 58 HA GLN 58 68.733 0.409 5.459 409 HB2 GLN 58 HB2 GLN 58 68.236 2.967 5.115 410 HB3 GLN 58 HB1 GLN 58 66.946 1.780 4.969 411 HG2 GLN 58 HG2 GLN 58 66.023 2.344 7.075 412 HG3 GLN 58 HG1 GLN 58 67.502 3.141 7.616 413 HE21 GLN 58 HE21 GLN 58 66.466 5.200 8.004 414 HE22 GLN 58 HE22 GLN 58 65.873 6.158 6.735 415 H TYR 59 HN TYR 59 69.283 2.253 8.395 416 HA TYR 59 HA TYR 59 71.572 3.657 7.458 417 HB2 TYR 59 HB2 TYR 59 69.968 3.544 9.818 418 HB3 TYR 59 HB1 TYR 59 71.659 3.456 10.265 419 HD1 TYR 59 HD1 TYR 59 69.072 5.537 8.610 420 HD2 TYR 59 HD2 TYR 59 73.233 5.302 9.716 421 HE1 TYR 59 HE1 TYR 59 69.339 7.944 8.147 422 HE2 TYR 59 HE2 TYR 59 73.481 7.713 9.249 423 HH TYR 59 HH TYR 59 72.411 9.618 8.763 424 H CYS 60 HN CYS 60 71.106 0.513 8.913 425 HA CYS 60 HA CYS 60 73.668 0.051 9.901 426 HB2 CYS 60 HB2 CYS 60 71.408 -1.597 9.034 427 HB3 CYS 60 HB1 CYS 60 72.950 -2.397 9.054 428 H ARG 61 HN ARG 61 72.424 0.127 6.662 429 HA ARG 61 HA ARG 61 74.137 -1.566 5.287 430 HB2 ARG 61 HB2 ARG 61 73.004 1.122 4.441 431 HB3 ARG 61 HB1 ARG 61 73.777 -0.004 3.335 432 HG2 ARG 61 HG2 ARG 61 72.071 -1.706 3.797 433 HG3 ARG 61 HG1 ARG 61 71.330 -0.673 5.010 434 HD2 ARG 61 HD2 ARG 61 70.732 0.960 3.272 435 HD3 ARG 61 HD1 ARG 61 71.512 -0.040 2.049 436 HE ARG 61 HE ARG 61 69.656 -1.653 3.374 437 HH11 ARG 61 HH21 ARG 61 69.714 1.196 1.416 438 HH12 ARG 61 HH22 ARG 61 68.141 0.930 0.741 439 HH21 ARG 61 HH11 ARG 61 67.595 -2.010 2.500 440 HH22 ARG 61 HH12 ARG 61 66.940 -0.887 1.359 441 H TYR 62 HN TYR 62 74.667 1.856 6.112 442 HA TYR 62 HA TYR 62 77.285 1.954 4.876 443 HB2 TYR 62 HB2 TYR 62 75.796 3.892 6.644 444 HB3 TYR 62 HB1 TYR 62 77.380 4.210 5.968 445 HD1 TYR 62 HD1 TYR 62 77.704 4.379 3.481 446 HD2 TYR 62 HD2 TYR 62 73.775 3.932 5.205 447 HE1 TYR 62 HE1 TYR 62 76.677 5.075 1.347 448 HE2 TYR 62 HE2 TYR 62 72.769 4.636 3.072 449 HH TYR 62 HH TYR 62 74.395 6.172 0.672 450 H GLN 63 HN GLN 63 76.046 2.144 8.194 451 HA GLN 63 HA GLN 63 78.549 0.982 9.257 452 HB2 GLN 63 HB2 GLN 63 77.221 3.526 10.256 453 HB3 GLN 63 HB1 GLN 63 78.428 2.627 11.166 454 HG2 GLN 63 HG2 GLN 63 80.079 3.018 9.349 455 HG3 GLN 63 HG1 GLN 63 78.865 3.916 8.451 456 HE21 GLN 63 HE21 GLN 63 80.882 5.490 8.805 457 HE22 GLN 63 HE22 GLN 63 80.727 6.533 10.136 458 H LYS 64 HN LYS 64 77.930 -0.790 10.180 459 HA LYS 64 HA LYS 64 75.381 -1.565 10.956 460 HB2 LYS 64 HB2 LYS 64 78.020 -2.432 12.150 461 HB3 LYS 64 HB1 LYS 64 76.511 -3.293 12.351 462 HG2 LYS 64 HG2 LYS 64 77.915 -2.819 9.680 463 HG3 LYS 64 HG1 LYS 64 78.042 -4.291 10.620 464 HD2 LYS 64 HD2 LYS 64 75.419 -4.404 10.374 465 HD3 LYS 64 HD1 LYS 64 75.656 -3.242 9.089 466 HE2 LYS 64 HE2 LYS 64 77.399 -4.866 8.133 467 HE3 LYS 64 HE1 LYS 64 76.713 -6.057 9.242 468 HZ1 LYS 64 HZ1 LYS 64 75.554 -4.843 6.866 469 HZ2 LYS 64 HZ2 LYS 64 74.500 -5.086 8.178 470 HZ3 LYS 64 HZ3 LYS 64 75.342 -6.399 7.507 471 H ASP 65 HN ASP 65 74.155 -1.453 12.687 472 HA ASP 65 HA ASP 65 75.063 0.093 15.059 473 HB2 ASP 65 HB2 ASP 65 72.180 0.063 14.450 474 HB3 ASP 65 HB1 ASP 65 73.175 1.343 15.087 475 H LEU 66 HN LEU 66 74.742 -2.948 14.300 476 HA LEU 66 HA LEU 66 72.659 -4.021 15.828 477 HB2 LEU 66 HB2 LEU 66 75.363 -5.184 15.136 478 HB3 LEU 66 HB1 LEU 66 74.102 -6.122 15.908 479 HG LEU 66 HG LEU 66 73.376 -4.674 13.367 480 HD11 LEU 66 HD11 LEU 66 75.442 -5.679 12.639 481 HD12 LEU 66 HD12 LEU 66 74.128 -6.697 12.063 482 HD13 LEU 66 HD13 LEU 66 75.065 -7.185 13.476 483 HD21 LEU 66 HD21 LEU 66 71.760 -6.137 14.763 484 HD22 LEU 66 HD22 LEU 66 72.717 -7.508 14.212 485 HD23 LEU 66 HD23 LEU 66 71.877 -6.500 13.048 486 H ALA 67 HN ALA 67 75.090 -2.174 17.121 487 HA ALA 67 HA ALA 67 75.893 -3.574 19.415 488 HB1 ALA 67 HB1 ALA 67 76.150 -0.927 18.330 489 HB2 ALA 67 HB2 ALA 67 77.153 -1.729 19.539 490 HB3 ALA 67 HB3 ALA 67 75.725 -0.821 20.037 491 H ILE 68 HN ILE 68 73.190 -1.317 18.844 492 HA ILE 68 HA ILE 68 72.247 -1.279 21.468 493 HB ILE 68 HB ILE 68 69.940 -0.775 20.289 494 HG12 ILE 68 HG12 ILE 68 71.656 0.053 17.989 495 HG13 ILE 68 HG11 ILE 68 71.167 -1.625 18.015 496 HG21 ILE 68 HG21 ILE 68 70.850 1.560 19.672 497 HG22 ILE 68 HG22 ILE 68 72.422 0.957 20.191 498 HG23 ILE 68 HG23 ILE 68 71.079 1.028 21.339 499 HD11 ILE 68 HD11 ILE 68 69.235 0.688 18.213 500 HD12 ILE 68 HD12 ILE 68 68.833 -1.026 18.034 501 HD13 ILE 68 HD13 ILE 68 69.635 -0.176 16.731 502 H HIS 69 HN HIS 69 70.561 -3.102 18.871 503 HA HIS 69 HA HIS 69 69.263 -4.803 20.788 504 HB2 HIS 69 HB2 HIS 69 68.100 -4.418 18.750 505 HB3 HIS 69 HB1 HIS 69 69.496 -4.885 17.779 506 HD2 HIS 69 HD2 HIS 69 69.526 -7.574 17.114 507 HE1 HIS 69 HE1 HIS 69 66.678 -8.905 19.931 508 HE2 HIS 69 HE2 HIS 69 68.139 -9.610 17.981 509 H HIS 70 HN HIS 70 70.102 -6.538 21.761 510 HA HIS 70 HA HIS 70 72.713 -7.531 21.114 511 HB2 HIS 70 HB2 HIS 70 70.577 -8.612 22.967 512 HB3 HIS 70 HB1 HIS 70 72.227 -9.226 22.868 513 HD2 HIS 70 HD2 HIS 70 70.296 -6.383 24.605 514 HE1 HIS 70 HE1 HIS 70 74.396 -5.506 25.080 515 HE2 HIS 70 HE2 HIS 70 72.047 -4.878 25.813 516 H GLN 71 HN GLN 71 73.304 -9.377 20.069 517 HA GLN 71 HA GLN 71 71.467 -10.493 18.161 518 HB2 GLN 71 HB2 GLN 71 74.297 -11.269 18.942 519 HB3 GLN 71 HB1 GLN 71 73.405 -12.008 17.615 520 HG2 GLN 71 HG2 GLN 71 73.260 -9.849 16.458 521 HG3 GLN 71 HG1 GLN 71 74.029 -9.036 17.819 522 HE21 GLN 71 HE21 GLN 71 75.501 -8.473 15.804 523 HE22 GLN 71 HE22 GLN 71 76.817 -9.516 15.553 524 H HIS 72 HN HIS 72 70.428 -12.412 18.179 525 HA HIS 72 HA HIS 72 70.903 -14.409 20.259 526 HB2 HIS 72 HB2 HIS 72 68.469 -12.656 20.148 527 HB3 HIS 72 HB1 HIS 72 68.330 -14.322 20.712 528 HD2 HIS 72 HD2 HIS 72 69.483 -10.902 22.060 529 HE1 HIS 72 HE1 HIS 72 70.825 -13.794 24.821 530 HE2 HIS 72 HE2 HIS 72 70.515 -11.308 24.422 531 H HIS 73 HN HIS 73 70.074 -16.416 19.777 532 HA HIS 73 HA HIS 73 69.709 -16.987 17.006 533 HB2 HIS 73 HB2 HIS 73 69.301 -18.726 19.451 534 HB3 HIS 73 HB1 HIS 73 69.345 -19.308 17.787 535 HD2 HIS 73 HD2 HIS 73 71.803 -18.687 20.621 536 HE1 HIS 73 HE1 HIS 73 74.116 -18.676 17.089 537 HE2 HIS 73 HE2 HIS 73 74.216 -18.748 19.625 538 H HIS 74 HN HIS 74 67.886 -17.493 15.871 539 HA HIS 74 HA HIS 74 65.416 -16.401 16.728 540 HB2 HIS 74 HB2 HIS 74 66.175 -18.210 14.433 541 HB3 HIS 74 HB1 HIS 74 64.525 -17.642 14.686 542 HD2 HIS 74 HD2 HIS 74 64.098 -14.913 14.087 543 HE1 HIS 74 HE1 HIS 74 68.041 -14.091 12.825 544 HE2 HIS 74 HE2 HIS 74 65.684 -13.167 12.957 545 H GLY 75 HN GLY 75 66.670 -19.709 16.602 546 HA2 GLY 75 HA2 GLY 75 64.270 -21.036 17.296 547 HA3 GLY 75 HA1 GLY 75 65.898 -21.678 17.511 548 H GLY 76 HN GLY 76 66.853 -19.600 19.233 549 HA2 GLY 76 HA2 GLY 76 66.865 -18.918 21.439 550 HA3 GLY 76 HA1 GLY 76 65.154 -19.323 21.531 551 H SER 77 HN SER 77 67.281 -21.766 20.370 552 HA SER 77 HA SER 77 66.618 -23.551 22.508 553 HB2 SER 77 HB2 SER 77 68.477 -23.709 20.144 554 HB3 SER 77 HB1 SER 77 68.421 -24.986 21.356 555 HG SER 77 HG SER 77 65.934 -24.398 20.776 556 H MET 78 HN MET 78 67.967 -24.399 24.118 557 HA MET 78 HA MET 78 69.757 -22.583 25.312 558 HB2 MET 78 HB2 MET 78 68.569 -24.268 26.641 559 HB3 MET 78 HB1 MET 78 69.389 -25.564 25.780 560 HG2 MET 78 HG2 MET 78 71.434 -25.177 26.877 561 HG3 MET 78 HG1 MET 78 71.031 -23.510 27.276 562 HE1 MET 78 HE1 MET 78 71.460 -26.966 28.776 563 HE2 MET 78 HE2 MET 78 70.050 -27.208 27.745 564 HE3 MET 78 HE3 MET 78 69.889 -27.342 29.493 565 H GLY 79 HN GLY 79 70.287 -25.483 23.349 566 HA2 GLY 79 HA2 GLY 79 72.594 -24.639 22.077 567 HA3 GLY 79 HA1 GLY 79 73.134 -25.446 23.547 568 H MET 80 HN MET 80 72.850 -26.006 20.419 569 HA MET 80 HA MET 80 71.367 -28.408 20.214 570 HB2 MET 80 HB2 MET 80 72.380 -26.813 18.364 571 HB3 MET 80 HB1 MET 80 73.777 -27.874 18.499 572 HG2 MET 80 HG2 MET 80 72.132 -29.830 18.142 573 HG3 MET 80 HG1 MET 80 70.955 -28.605 17.675 574 HE1 MET 80 HE1 MET 80 74.518 -29.981 17.103 575 HE2 MET 80 HE2 MET 80 74.585 -30.089 15.347 576 HE3 MET 80 HE3 MET 80 73.410 -31.055 16.233 577 H SER 81 HN SER 81 74.790 -27.741 20.871 578 HA SER 81 HA SER 81 75.707 -30.404 20.862 579 HB2 SER 81 HB2 SER 81 76.736 -28.053 22.469 580 HB3 SER 81 HB1 SER 81 77.608 -29.555 22.169 581 HG SER 81 HG SER 81 76.628 -27.783 20.173 582 H GLY 82 HN GLY 82 74.412 -28.382 23.468 583 HA2 GLY 82 HA2 GLY 82 73.396 -28.966 25.454 584 HA3 GLY 82 HA1 GLY 82 73.394 -30.639 24.903 585 H SER 83 HN SER 83 76.432 -29.076 24.803 586 HA SER 83 HA SER 83 77.656 -30.902 26.571 587 HB2 SER 83 HB2 SER 83 79.624 -29.415 26.400 588 HB3 SER 83 HB1 SER 83 78.913 -29.750 24.824 589 HG SER 83 HG SER 83 78.558 -27.695 24.631 590 H GLY 84 HN GLY 84 76.376 -27.656 27.030 591 HA2 GLY 84 HA2 GLY 84 75.868 -27.959 29.764 592 HA3 GLY 84 HA1 GLY 84 77.433 -27.166 29.604 593 H THR 85 HN THR 85 75.973 -25.550 30.820 594 HA THR 85 HA THR 85 75.238 -23.448 28.954 595 HB THR 85 HB THR 85 73.135 -24.804 29.196 596 HG1 THR 85 HG1 THR 85 72.323 -22.933 28.860 597 HG21 THR 85 HG21 THR 85 72.045 -25.117 31.212 598 HG22 THR 85 HG22 THR 85 72.807 -23.728 31.975 599 HG23 THR 85 HG23 THR 85 73.711 -25.229 31.771 600 H GLY 86 HN GLY 86 74.796 -21.402 30.047 601 HA2 GLY 86 HA2 GLY 86 75.191 -19.792 31.652 602 HA3 GLY 86 HA1 GLY 86 75.301 -21.083 32.846 603 H TYR 87 HN TYR 87 77.306 -21.373 30.074 604 HA TYR 87 HA TYR 87 79.701 -21.319 31.629 605 HB2 TYR 87 HB2 TYR 87 79.359 -22.690 29.563 606 HB3 TYR 87 HB1 TYR 87 79.401 -21.216 28.621 607 HD1 TYR 87 HD1 TYR 87 81.410 -23.501 30.754 608 HD2 TYR 87 HD2 TYR 87 81.527 -19.962 28.290 609 HE1 TYR 87 HE1 TYR 87 83.878 -23.570 30.752 610 HE2 TYR 87 HE2 TYR 87 83.993 -20.046 28.298 611 HH TYR 87 HH TYR 87 85.790 -21.322 28.803 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 55.437 18.077 30.103 2 H2 MET 1 HT2 MET 1 53.969 17.678 30.859 3 H3 MET 1 HT3 MET 1 53.985 18.750 29.540 4 HA MET 1 HA MET 1 54.355 15.827 29.564 5 HB2 MET 1 HB2 MET 1 52.736 17.796 27.908 6 HB3 MET 1 HB1 MET 1 52.805 16.073 27.571 7 HG2 MET 1 HG2 MET 1 51.815 15.555 29.750 8 HG3 MET 1 HG1 MET 1 51.831 17.259 30.196 9 HE1 MET 1 HE1 MET 1 49.579 18.574 30.064 10 HE2 MET 1 HE2 MET 1 48.949 18.857 28.445 11 HE3 MET 1 HE3 MET 1 50.657 19.112 28.769 12 H GLY 2 HN GLY 2 56.740 16.323 29.310 13 HA2 GLY 2 HA2 GLY 2 57.738 17.535 26.947 14 HA3 GLY 2 HA1 GLY 2 58.626 16.431 27.993 15 H ALA 3 HN ALA 3 57.021 14.167 27.813 16 HA ALA 3 HA ALA 3 56.497 13.433 25.075 17 HB1 ALA 3 HB1 ALA 3 58.917 13.332 24.941 18 HB2 ALA 3 HB2 ALA 3 58.287 11.692 24.960 19 HB3 ALA 3 HB3 ALA 3 58.998 12.379 26.422 20 HA PRO 4 HA PRO 4 54.518 10.851 28.551 21 HB2 PRO 4 HB2 PRO 4 52.126 11.072 26.824 22 HB3 PRO 4 HB1 PRO 4 52.282 11.347 28.568 23 HG2 PRO 4 HG2 PRO 4 51.931 13.341 26.803 24 HG3 PRO 4 HG1 PRO 4 52.843 13.533 28.308 25 HD2 PRO 4 HD2 PRO 4 53.855 13.309 25.508 26 HD3 PRO 4 HD1 PRO 4 54.523 14.194 26.897 27 H VAL 5 HN VAL 5 54.206 8.633 28.409 28 HA VAL 5 HA VAL 5 54.044 7.350 25.776 29 HB VAL 5 HB VAL 5 55.785 5.672 26.965 30 HG11 VAL 5 HG11 VAL 5 57.658 6.973 25.842 31 HG12 VAL 5 HG12 VAL 5 56.458 8.195 25.434 32 HG13 VAL 5 HG13 VAL 5 56.301 6.552 24.800 33 HG21 VAL 5 HG21 VAL 5 55.863 7.236 29.002 34 HG22 VAL 5 HG22 VAL 5 56.801 8.331 27.974 35 HG23 VAL 5 HG23 VAL 5 57.403 6.718 28.325 36 HA PRO 6 HA PRO 6 51.066 4.557 27.735 37 HB2 PRO 6 HB2 PRO 6 52.711 2.189 27.014 38 HB3 PRO 6 HB1 PRO 6 51.005 2.520 26.684 39 HG2 PRO 6 HG2 PRO 6 52.939 2.665 24.829 40 HG3 PRO 6 HG1 PRO 6 51.467 3.646 24.783 41 HD2 PRO 6 HD2 PRO 6 54.234 4.466 25.339 42 HD3 PRO 6 HD1 PRO 6 52.840 5.426 24.809 43 H TYR 7 HN TYR 7 54.452 3.584 28.230 44 HA TYR 7 HA TYR 7 54.097 3.555 31.105 45 HB2 TYR 7 HB2 TYR 7 54.715 1.058 29.527 46 HB3 TYR 7 HB1 TYR 7 55.228 1.210 31.190 47 HD1 TYR 7 HD2 TYR 7 53.494 1.658 33.014 48 HD2 TYR 7 HD1 TYR 7 52.357 0.564 29.005 49 HE1 TYR 7 HE2 TYR 7 51.228 1.078 33.804 50 HE2 TYR 7 HE1 TYR 7 50.101 -0.005 29.800 51 HH TYR 7 HH TYR 7 49.277 0.115 33.256 52 HA PRO 8 HA PRO 8 58.346 4.969 30.484 53 HB2 PRO 8 HB2 PRO 8 59.457 4.862 32.936 54 HB3 PRO 8 HB1 PRO 8 58.123 5.973 32.577 55 HG2 PRO 8 HG2 PRO 8 58.031 3.293 33.893 56 HG3 PRO 8 HG1 PRO 8 57.276 4.815 34.399 57 HD2 PRO 8 HD2 PRO 8 55.897 2.896 33.052 58 HD3 PRO 8 HD1 PRO 8 55.552 4.631 32.888 59 H ASP 9 HN ASP 9 57.624 1.859 30.814 60 HA ASP 9 HA ASP 9 58.665 -0.176 30.661 61 HB2 ASP 9 HB2 ASP 9 60.628 1.546 29.151 62 HB3 ASP 9 HB1 ASP 9 60.644 -0.210 29.164 63 HA PRO 10 HA PRO 10 61.526 0.861 34.339 64 HB2 PRO 10 HB2 PRO 10 60.273 -1.605 35.401 65 HB3 PRO 10 HB1 PRO 10 60.536 -0.044 36.195 66 HG2 PRO 10 HG2 PRO 10 58.124 -0.879 35.397 67 HG3 PRO 10 HG1 PRO 10 58.588 0.828 35.420 68 HD2 PRO 10 HD2 PRO 10 58.255 -1.009 33.107 69 HD3 PRO 10 HD1 PRO 10 58.028 0.750 33.206 70 H LEU 11 HN LEU 11 60.720 -2.060 32.614 71 HA LEU 11 HA LEU 11 62.877 -3.686 33.427 72 HB2 LEU 11 HB2 LEU 11 61.275 -3.641 30.862 73 HB3 LEU 11 HB1 LEU 11 62.438 -4.900 31.236 74 HG LEU 11 HG LEU 11 60.026 -4.208 32.987 75 HD11 LEU 11 HD11 LEU 11 60.286 -6.238 30.770 76 HD12 LEU 11 HD12 LEU 11 59.047 -5.005 30.999 77 HD13 LEU 11 HD13 LEU 11 59.102 -6.408 32.062 78 HD21 LEU 11 HD21 LEU 11 62.138 -6.340 33.207 79 HD22 LEU 11 HD22 LEU 11 60.483 -6.787 33.587 80 HD23 LEU 11 HD23 LEU 11 61.258 -5.477 34.465 81 H GLU 12 HN GLU 12 62.545 -1.397 30.776 82 HA GLU 12 HA GLU 12 65.431 -1.095 30.559 83 HB2 GLU 12 HB2 GLU 12 65.207 -1.535 28.019 84 HB3 GLU 12 HB1 GLU 12 65.295 -2.896 29.119 85 HG2 GLU 12 HG2 GLU 12 63.034 -3.439 28.877 86 HG3 GLU 12 HG1 GLU 12 62.591 -1.827 28.321 87 HA PRO 13 HA PRO 13 62.802 2.825 29.881 88 HB2 PRO 13 HB2 PRO 13 65.202 3.993 31.200 89 HB3 PRO 13 HB1 PRO 13 63.483 4.334 31.474 90 HG2 PRO 13 HG2 PRO 13 64.900 2.915 33.208 91 HG3 PRO 13 HG1 PRO 13 63.206 2.526 32.856 92 HD2 PRO 13 HD2 PRO 13 65.689 1.121 31.953 93 HD3 PRO 13 HD1 PRO 13 64.097 0.460 32.373 94 H ARG 14 HN ARG 14 66.260 2.211 29.450 95 HA ARG 14 HA ARG 14 66.842 4.320 27.691 96 HB2 ARG 14 HB2 ARG 14 68.467 2.729 28.893 97 HB3 ARG 14 HB1 ARG 14 68.127 1.575 27.609 98 HG2 ARG 14 HG2 ARG 14 68.971 3.218 25.913 99 HG3 ARG 14 HG1 ARG 14 69.314 4.362 27.202 100 HD2 ARG 14 HD2 ARG 14 70.943 2.726 28.181 101 HD3 ARG 14 HD1 ARG 14 70.594 1.630 26.857 102 HE ARG 14 HE ARG 14 71.910 2.911 25.457 103 HH11 ARG 14 HH21 ARG 14 71.171 4.705 28.323 104 HH12 ARG 14 HH22 ARG 14 72.237 6.011 27.936 105 HH21 ARG 14 HH11 ARG 14 73.283 4.621 24.937 106 HH22 ARG 14 HH12 ARG 14 73.433 5.965 26.020 107 H GLY 15 HN GLY 15 65.721 1.006 27.077 108 HA2 GLY 15 HA2 GLY 15 64.558 0.139 25.278 109 HA3 GLY 15 HA1 GLY 15 64.410 1.771 24.637 110 H GLY 16 HN GLY 16 65.769 2.437 23.044 111 HA2 GLY 16 HA2 GLY 16 67.474 2.406 21.495 112 HA3 GLY 16 HA1 GLY 16 68.302 1.216 22.494 113 H LYS 17 HN LYS 17 65.053 0.537 21.513 114 HA LYS 17 HA LYS 17 65.650 -1.885 20.304 115 HB2 LYS 17 HB2 LYS 17 63.245 -0.091 19.980 116 HB3 LYS 17 HB1 LYS 17 63.331 -1.758 19.414 117 HG2 LYS 17 HG2 LYS 17 63.692 -2.557 21.730 118 HG3 LYS 17 HG1 LYS 17 63.665 -0.897 22.317 119 HD2 LYS 17 HD2 LYS 17 61.323 -0.670 21.511 120 HD3 LYS 17 HD1 LYS 17 61.367 -2.343 20.964 121 HE2 LYS 17 HE2 LYS 17 61.724 -3.095 23.297 122 HE3 LYS 17 HE1 LYS 17 61.704 -1.417 23.841 123 HZ1 LYS 17 HZ1 LYS 17 59.485 -2.950 22.618 124 HZ2 LYS 17 HZ2 LYS 17 59.448 -1.263 22.816 125 HZ3 LYS 17 HZ3 LYS 17 59.553 -2.279 24.175 126 H HIS 18 HN HIS 18 66.027 -2.465 18.354 127 HA HIS 18 HA HIS 18 67.277 -0.717 16.608 128 HB2 HIS 18 HB2 HIS 18 67.231 -3.387 16.780 129 HB3 HIS 18 HB1 HIS 18 66.138 -3.202 15.423 130 HD2 HIS 18 HD2 HIS 18 67.907 -0.624 14.058 131 HE1 HIS 18 HE1 HIS 18 70.936 -3.531 13.839 132 H ILE 19 HN ILE 19 64.038 -2.198 16.131 133 HA ILE 19 HA ILE 19 63.475 -0.298 13.965 134 HB ILE 19 HB ILE 19 61.761 -2.645 14.865 135 HG12 ILE 19 HG12 ILE 19 62.920 -3.433 12.473 136 HG13 ILE 19 HG11 ILE 19 64.277 -2.674 13.281 137 HG21 ILE 19 HG21 ILE 19 60.941 -2.548 12.500 138 HG22 ILE 19 HG22 ILE 19 61.825 -1.049 12.280 139 HG23 ILE 19 HG23 ILE 19 60.514 -1.140 13.455 140 HD11 ILE 19 HD11 ILE 19 63.725 -4.151 15.317 141 HD12 ILE 19 HD12 ILE 19 64.329 -4.987 13.891 142 HD13 ILE 19 HD13 ILE 19 62.608 -5.015 14.255 143 H CYS 20 HN CYS 20 62.419 1.478 14.429 144 HA CYS 20 HA CYS 20 61.194 1.896 16.995 145 HB2 CYS 20 HB2 CYS 20 62.122 3.805 15.969 146 HB3 CYS 20 HB1 CYS 20 61.302 3.501 14.455 147 H ALA 21 HN ALA 21 58.986 1.951 17.472 148 HA ALA 21 HA ALA 21 57.376 0.082 16.059 149 HB1 ALA 21 HB1 ALA 21 55.713 0.555 17.736 150 HB2 ALA 21 HB2 ALA 21 56.537 2.053 18.178 151 HB3 ALA 21 HB3 ALA 21 57.297 0.496 18.512 152 H ILE 22 HN ILE 22 57.962 3.325 15.462 153 HA ILE 22 HA ILE 22 55.390 3.754 14.072 154 HB ILE 22 HB ILE 22 57.236 5.752 15.428 155 HG12 ILE 22 HG12 ILE 22 54.282 5.530 15.962 156 HG13 ILE 22 HG11 ILE 22 55.316 4.315 16.674 157 HG21 ILE 22 HG21 ILE 22 54.941 6.200 13.489 158 HG22 ILE 22 HG22 ILE 22 56.467 7.057 13.600 159 HG23 ILE 22 HG23 ILE 22 55.218 7.358 14.779 160 HD11 ILE 22 HD11 ILE 22 55.839 7.276 17.012 161 HD12 ILE 22 HD12 ILE 22 56.542 5.942 17.932 162 HD13 ILE 22 HD13 ILE 22 54.839 6.346 18.125 163 H CYS 23 HN CYS 23 58.513 5.398 13.913 164 HA CYS 23 HA CYS 23 58.376 5.827 11.122 165 HB2 CYS 23 HB2 CYS 23 60.954 6.007 12.577 166 HB3 CYS 23 HB1 CYS 23 60.240 7.129 11.429 167 H GLY 24 HN GLY 24 59.818 3.364 13.082 168 HA2 GLY 24 HA2 GLY 24 60.519 1.240 12.359 169 HA3 GLY 24 HA1 GLY 24 60.539 1.798 10.711 170 H ASN 25 HN ASN 25 62.086 4.231 11.652 171 HA ASN 25 HA ASN 25 64.739 3.047 12.278 172 HB2 ASN 25 HB2 ASN 25 64.297 4.721 9.796 173 HB3 ASN 25 HB1 ASN 25 65.833 4.053 10.329 174 HD21 ASN 25 HD21 ASN 25 63.492 3.519 8.090 175 HD22 ASN 25 HD22 ASN 25 63.615 1.833 7.938 176 H ASN 26 HN ASN 26 62.850 5.300 13.432 177 HA ASN 26 HA ASN 26 64.641 7.619 13.394 178 HB2 ASN 26 HB2 ASN 26 62.102 6.916 14.645 179 HB3 ASN 26 HB1 ASN 26 63.048 8.101 15.476 180 HD21 ASN 26 HD21 ASN 26 61.889 10.032 14.907 181 HD22 ASN 26 HD22 ASN 26 61.669 10.546 13.308 182 H ALA 27 HN ALA 27 63.792 5.046 15.565 183 HA ALA 27 HA ALA 27 65.145 5.722 17.865 184 HB1 ALA 27 HB1 ALA 27 64.569 3.067 16.560 185 HB2 ALA 27 HB2 ALA 27 63.799 3.799 17.973 186 HB3 ALA 27 HB3 ALA 27 65.439 3.163 18.091 187 H GLU 28 HN GLU 28 66.355 4.390 14.869 188 HA GLU 28 HA GLU 28 69.035 3.990 15.742 189 HB2 GLU 28 HB2 GLU 28 67.793 2.775 13.882 190 HB3 GLU 28 HB1 GLU 28 67.886 4.248 12.942 191 HG2 GLU 28 HG2 GLU 28 69.645 2.885 12.186 192 HG3 GLU 28 HG1 GLU 28 70.427 4.081 13.197 193 H ASP 29 HN ASP 29 67.423 6.356 13.587 194 HA ASP 29 HA ASP 29 69.722 8.171 13.732 195 HB2 ASP 29 HB2 ASP 29 68.552 7.479 11.562 196 HB3 ASP 29 HB1 ASP 29 67.245 8.551 12.026 197 H TYR 30 HN TYR 30 67.475 10.345 13.014 198 HA TYR 30 HA TYR 30 67.442 11.542 15.617 199 HB2 TYR 30 HB2 TYR 30 65.930 12.318 13.111 200 HB3 TYR 30 HB1 TYR 30 66.142 13.320 14.528 201 HD1 TYR 30 HD2 TYR 30 68.512 13.926 15.292 202 HD2 TYR 30 HD1 TYR 30 67.689 12.284 11.393 203 HE1 TYR 30 HE2 TYR 30 70.696 14.748 14.475 204 HE2 TYR 30 HE1 TYR 30 69.868 13.103 10.593 205 HH TYR 30 HH TYR 30 71.759 14.134 11.123 206 H LYS 31 HN LYS 31 65.267 12.494 16.416 207 HA LYS 31 HA LYS 31 63.083 10.502 16.345 208 HB2 LYS 31 HB2 LYS 31 64.160 11.938 18.786 209 HB3 LYS 31 HB1 LYS 31 62.745 10.889 18.769 210 HG2 LYS 31 HG2 LYS 31 64.166 8.963 18.095 211 HG3 LYS 31 HG1 LYS 31 65.585 10.001 18.115 212 HD2 LYS 31 HD2 LYS 31 65.265 10.410 20.546 213 HD3 LYS 31 HD1 LYS 31 63.839 9.379 20.535 214 HE2 LYS 31 HE2 LYS 31 65.237 7.444 19.876 215 HE3 LYS 31 HE1 LYS 31 66.669 8.475 19.876 216 HZ1 LYS 31 HZ1 LYS 31 65.718 7.096 21.998 217 HZ2 LYS 31 HZ2 LYS 31 65.134 8.664 22.289 218 HZ3 LYS 31 HZ3 LYS 31 66.798 8.401 22.075 219 H HIS 32 HN HIS 32 63.097 12.604 14.660 220 HA HIS 32 HA HIS 32 61.337 14.669 15.849 221 HB2 HIS 32 HB2 HIS 32 62.943 14.573 13.317 222 HB3 HIS 32 HB1 HIS 32 61.708 15.795 13.620 223 HD2 HIS 32 HD2 HIS 32 62.565 17.900 15.233 224 HE1 HIS 32 HE1 HIS 32 66.184 16.158 16.540 225 HE2 HIS 32 HE2 HIS 32 64.774 18.272 16.581 226 H THR 33 HN THR 33 61.374 12.059 13.500 227 HA THR 33 HA THR 33 58.805 12.839 12.351 228 HB THR 33 HB THR 33 59.062 11.118 10.822 229 HG1 THR 33 HG1 THR 33 59.316 9.354 12.028 230 HG21 THR 33 HG21 THR 33 61.206 11.387 9.912 231 HG22 THR 33 HG22 THR 33 61.970 11.514 11.495 232 HG23 THR 33 HG23 THR 33 60.993 12.848 10.878 233 H ASP 34 HN ASP 34 59.788 11.368 15.182 234 HA ASP 34 HA ASP 34 57.891 9.283 15.486 235 HB2 ASP 34 HB2 ASP 34 59.460 10.981 17.384 236 HB3 ASP 34 HB1 ASP 34 58.136 10.008 18.018 237 H MET 35 HN MET 35 57.665 12.744 16.029 238 HA MET 35 HA MET 35 55.130 12.690 17.311 239 HB2 MET 35 HB2 MET 35 56.630 14.847 15.820 240 HB3 MET 35 HB1 MET 35 55.034 15.129 16.507 241 HG2 MET 35 HG2 MET 35 55.813 14.690 18.743 242 HG3 MET 35 HG1 MET 35 57.355 14.073 18.148 243 HE1 MET 35 HE1 MET 35 59.483 17.050 17.402 244 HE2 MET 35 HE2 MET 35 58.994 15.511 16.709 245 HE3 MET 35 HE3 MET 35 59.456 15.598 18.407 246 H ASP 36 HN ASP 36 56.101 13.026 13.922 247 HA ASP 36 HA ASP 36 53.505 12.069 13.008 248 HB2 ASP 36 HB2 ASP 36 53.433 14.684 13.310 249 HB3 ASP 36 HB1 ASP 36 54.409 14.682 11.842 250 H LEU 37 HN LEU 37 53.655 11.009 11.111 251 HA LEU 37 HA LEU 37 56.265 10.496 10.001 252 HB2 LEU 37 HB2 LEU 37 53.469 9.718 9.127 253 HB3 LEU 37 HB1 LEU 37 54.910 9.176 8.291 254 HG LEU 37 HG LEU 37 54.358 8.669 11.257 255 HD11 LEU 37 HD11 LEU 37 53.673 6.985 8.851 256 HD12 LEU 37 HD12 LEU 37 52.638 7.475 10.192 257 HD13 LEU 37 HD13 LEU 37 53.904 6.280 10.448 258 HD21 LEU 37 HD21 LEU 37 55.947 6.608 10.524 259 HD22 LEU 37 HD22 LEU 37 56.580 8.109 11.185 260 HD23 LEU 37 HD23 LEU 37 56.599 7.840 9.449 261 H THR 38 HN THR 38 57.251 11.590 8.428 262 HA THR 38 HA THR 38 55.912 13.803 7.095 263 HB THR 38 HB THR 38 58.749 12.736 7.037 264 HG1 THR 38 HG1 THR 38 58.949 14.009 8.659 265 HG21 THR 38 HG21 THR 38 57.483 14.958 5.433 266 HG22 THR 38 HG22 THR 38 58.720 13.795 4.953 267 HG23 THR 38 HG23 THR 38 59.135 15.134 6.014 268 H TYR 39 HN TYR 39 54.875 13.590 5.223 269 HA TYR 39 HA TYR 39 55.019 11.168 3.640 270 HB2 TYR 39 HB2 TYR 39 52.891 12.362 3.963 271 HB3 TYR 39 HB1 TYR 39 53.555 13.771 3.160 272 HD1 TYR 39 HD2 TYR 39 52.644 10.185 2.683 273 HD2 TYR 39 HD1 TYR 39 53.702 13.861 0.695 274 HE1 TYR 39 HE2 TYR 39 52.027 9.198 0.509 275 HE2 TYR 39 HE1 TYR 39 53.087 12.859 -1.467 276 HH TYR 39 HH TYR 39 52.330 9.461 -1.782 277 H THR 40 HN THR 40 56.188 10.835 1.851 278 HA THR 40 HA THR 40 57.139 12.999 0.175 279 HB THR 40 HB THR 40 58.855 12.917 2.009 280 HG1 THR 40 HG1 THR 40 59.742 12.043 -0.532 281 HG21 THR 40 HG21 THR 40 60.146 11.054 2.468 282 HG22 THR 40 HG22 THR 40 59.900 10.348 0.874 283 HG23 THR 40 HG23 THR 40 58.626 10.252 2.089 284 H ASP 41 HN ASP 41 57.822 12.334 -1.845 285 HA ASP 41 HA ASP 41 56.822 9.745 -2.697 286 HB2 ASP 41 HB2 ASP 41 58.131 12.030 -4.195 287 HB3 ASP 41 HB1 ASP 41 57.507 10.569 -4.958 288 H ARG 42 HN ARG 42 58.284 8.356 -1.579 289 HA ARG 42 HA ARG 42 61.114 8.463 -2.016 290 HB2 ARG 42 HB2 ARG 42 59.869 7.392 -0.039 291 HB3 ARG 42 HB1 ARG 42 59.488 6.068 -1.130 292 HG2 ARG 42 HG2 ARG 42 61.930 5.626 -1.448 293 HG3 ARG 42 HG1 ARG 42 62.316 6.970 -0.377 294 HD2 ARG 42 HD2 ARG 42 60.725 4.523 0.466 295 HD3 ARG 42 HD1 ARG 42 62.444 4.746 0.738 296 HE ARG 42 HE ARG 42 61.112 6.988 1.789 297 HH11 ARG 42 HH21 ARG 42 61.418 3.577 2.264 298 HH12 ARG 42 HH22 ARG 42 61.110 3.649 3.968 299 HH21 ARG 42 HH11 ARG 42 60.702 7.088 4.020 300 HH22 ARG 42 HH12 ARG 42 60.705 5.633 4.960 301 H ASP 43 HN ASP 43 62.290 7.576 -3.614 302 HA ASP 43 HA ASP 43 61.032 6.582 -5.968 303 HB2 ASP 43 HB2 ASP 43 63.308 6.221 -6.797 304 HB3 ASP 43 HB1 ASP 43 63.178 7.798 -6.026 305 H TYR 44 HN TYR 44 60.650 4.542 -6.647 306 HA TYR 44 HA TYR 44 60.554 2.409 -4.805 307 HB2 TYR 44 HB2 TYR 44 59.084 2.449 -6.727 308 HB3 TYR 44 HB1 TYR 44 60.446 2.425 -7.828 309 HD1 TYR 44 HD2 TYR 44 58.651 0.444 -5.211 310 HD2 TYR 44 HD1 TYR 44 61.549 0.294 -8.403 311 HE1 TYR 44 HE2 TYR 44 58.650 -2.026 -5.112 312 HE2 TYR 44 HE1 TYR 44 61.540 -2.161 -8.289 313 HH TYR 44 HH TYR 44 59.211 -3.920 -6.397 314 H LYS 45 HN LYS 45 62.814 3.067 -7.479 315 HA LYS 45 HA LYS 45 64.431 0.764 -7.013 316 HB2 LYS 45 HB2 LYS 45 65.037 3.386 -8.418 317 HB3 LYS 45 HB1 LYS 45 66.104 1.986 -8.437 318 HG2 LYS 45 HG2 LYS 45 64.359 0.635 -9.559 319 HG3 LYS 45 HG1 LYS 45 63.243 1.995 -9.486 320 HD2 LYS 45 HD2 LYS 45 64.740 3.316 -10.964 321 HD3 LYS 45 HD1 LYS 45 65.880 1.977 -11.015 322 HE2 LYS 45 HE2 LYS 45 64.181 0.564 -12.127 323 HE3 LYS 45 HE1 LYS 45 63.020 1.890 -12.048 324 HZ1 LYS 45 HZ1 LYS 45 63.840 2.522 -13.990 325 HZ2 LYS 45 HZ2 LYS 45 65.158 1.454 -13.883 326 HZ3 LYS 45 HZ3 LYS 45 65.248 2.994 -13.170 327 H ASN 46 HN ASN 46 65.925 0.410 -5.508 328 HA ASN 46 HA ASN 46 66.513 2.417 -3.514 329 HB2 ASN 46 HB2 ASN 46 66.266 -0.193 -3.268 330 HB3 ASN 46 HB1 ASN 46 67.976 -0.190 -3.693 331 HD21 ASN 46 HD21 ASN 46 66.587 -0.760 -1.029 332 HD22 ASN 46 HD22 ASN 46 67.344 0.284 0.073 333 H CYS 47 HN CYS 47 68.234 3.741 -3.452 334 HA CYS 47 HA CYS 47 70.023 3.948 -5.640 335 HB2 CYS 47 HB2 CYS 47 70.129 5.145 -2.865 336 HB3 CYS 47 HB1 CYS 47 71.223 5.585 -4.177 337 HG CYS 47 HG CYS 47 69.189 6.513 -5.518 338 H GLU 48 HN GLU 48 70.383 2.623 -2.374 339 HA GLU 48 HA GLU 48 72.761 1.067 -3.197 340 HB2 GLU 48 HB2 GLU 48 72.540 3.003 -0.896 341 HB3 GLU 48 HB1 GLU 48 73.567 1.587 -0.744 342 HG2 GLU 48 HG2 GLU 48 73.838 3.465 -3.102 343 HG3 GLU 48 HG1 GLU 48 74.642 3.799 -1.580 344 H SER 49 HN SER 49 73.046 -0.873 -2.071 345 HA SER 49 HA SER 49 71.244 -1.661 0.049 346 HB2 SER 49 HB2 SER 49 70.297 -3.575 -1.264 347 HB3 SER 49 HB1 SER 49 69.721 -1.995 -1.786 348 HG SER 49 HG SER 49 70.536 -2.440 -3.660 349 H TYR 50 HN TYR 50 71.736 -3.728 0.918 350 HA TYR 50 HA TYR 50 74.094 -5.168 -0.033 351 HB2 TYR 50 HB2 TYR 50 73.967 -3.572 2.504 352 HB3 TYR 50 HB1 TYR 50 74.911 -5.047 2.456 353 HD1 TYR 50 HD1 TYR 50 76.844 -5.285 0.857 354 HD2 TYR 50 HD2 TYR 50 74.697 -1.562 1.241 355 HE1 TYR 50 HE1 TYR 50 78.676 -4.100 -0.290 356 HE2 TYR 50 HE2 TYR 50 76.539 -0.393 0.093 357 HH TYR 50 HH TYR 50 79.403 -1.254 -0.162 358 H HIS 51 HN HIS 51 74.246 -7.255 0.811 359 HA HIS 51 HA HIS 51 71.716 -8.377 1.794 360 HB2 HIS 51 HB2 HIS 51 74.240 -9.601 0.678 361 HB3 HIS 51 HB1 HIS 51 72.883 -10.547 1.292 362 HD2 HIS 51 HD2 HIS 51 73.921 -8.806 -1.964 363 HE1 HIS 51 HE1 HIS 51 69.784 -9.569 -2.306 364 HE2 HIS 51 HE2 HIS 51 71.866 -8.853 -3.571 365 H LYS 52 HN LYS 52 74.710 -7.352 3.013 366 HA LYS 52 HA LYS 52 75.202 -9.292 4.994 367 HB2 LYS 52 HB2 LYS 52 75.924 -6.361 4.823 368 HB3 LYS 52 HB1 LYS 52 76.474 -7.389 6.136 369 HG2 LYS 52 HG2 LYS 52 76.954 -8.314 3.313 370 HG3 LYS 52 HG1 LYS 52 77.938 -7.001 3.930 371 HD2 LYS 52 HD2 LYS 52 78.855 -8.344 5.683 372 HD3 LYS 52 HD1 LYS 52 77.657 -9.609 5.472 373 HE2 LYS 52 HE2 LYS 52 78.610 -10.268 3.354 374 HE3 LYS 52 HE1 LYS 52 79.678 -8.863 3.344 375 HZ1 LYS 52 HZ1 LYS 52 79.722 -11.041 5.361 376 HZ2 LYS 52 HZ2 LYS 52 80.782 -9.715 5.299 377 HZ3 LYS 52 HZ3 LYS 52 80.809 -10.886 4.069 378 H CYS 53 HN CYS 53 73.222 -6.350 5.067 379 HA CYS 53 HA CYS 53 72.422 -6.820 7.866 380 HB2 CYS 53 HB2 CYS 53 73.005 -4.559 7.376 381 HB3 CYS 53 HB1 CYS 53 72.041 -4.569 5.903 382 HG CYS 53 HG CYS 53 69.997 -4.079 7.224 383 H SER 54 HN SER 54 70.324 -7.212 8.468 384 HA SER 54 HA SER 54 68.672 -8.765 6.832 385 HB2 SER 54 HB2 SER 54 67.902 -7.156 9.269 386 HB3 SER 54 HB1 SER 54 66.960 -8.469 8.570 387 HG SER 54 HG SER 54 68.405 -9.892 9.262 388 H ASP 55 HN ASP 55 69.158 -5.499 6.363 389 HA ASP 55 HA ASP 55 68.249 -3.974 4.952 390 HB2 ASP 55 HB2 ASP 55 67.321 -6.213 3.823 391 HB3 ASP 55 HB1 ASP 55 65.793 -5.534 4.380 392 H LEU 56 HN LEU 56 66.675 -5.202 7.669 393 HA LEU 56 HA LEU 56 64.336 -3.634 7.734 394 HB2 LEU 56 HB2 LEU 56 66.080 -4.634 10.011 395 HB3 LEU 56 HB1 LEU 56 64.462 -3.991 10.215 396 HG LEU 56 HG LEU 56 65.159 -6.455 8.539 397 HD11 LEU 56 HD11 LEU 56 64.248 -6.250 11.405 398 HD12 LEU 56 HD12 LEU 56 65.635 -7.111 10.741 399 HD13 LEU 56 HD13 LEU 56 64.006 -7.702 10.438 400 HD21 LEU 56 HD21 LEU 56 63.068 -5.935 7.700 401 HD22 LEU 56 HD22 LEU 56 62.530 -5.126 9.167 402 HD23 LEU 56 HD23 LEU 56 62.589 -6.880 9.103 403 H CYS 57 HN CYS 57 67.539 -3.115 9.195 404 HA CYS 57 HA CYS 57 66.964 -0.274 9.690 405 HB2 CYS 57 HB2 CYS 57 67.864 -1.350 11.524 406 HB3 CYS 57 HB1 CYS 57 69.055 -2.228 10.605 407 H GLN 58 HN GLN 58 67.658 1.235 8.348 408 HA GLN 58 HA GLN 58 68.918 0.557 5.883 409 HB2 GLN 58 HB2 GLN 58 68.507 3.341 6.993 410 HB3 GLN 58 HB1 GLN 58 68.665 2.867 5.305 411 HG2 GLN 58 HG2 GLN 58 66.524 1.528 5.569 412 HG3 GLN 58 HG1 GLN 58 66.352 2.232 7.176 413 HE21 GLN 58 HE21 GLN 58 64.293 2.794 5.532 414 HE22 GLN 58 HE22 GLN 58 64.373 4.389 4.955 415 H TYR 59 HN TYR 59 70.049 2.252 8.753 416 HA TYR 59 HA TYR 59 72.542 3.063 7.603 417 HB2 TYR 59 HB2 TYR 59 71.648 2.952 10.477 418 HB3 TYR 59 HB1 TYR 59 73.121 3.715 9.913 419 HD1 TYR 59 HD1 TYR 59 69.414 3.891 9.840 420 HD2 TYR 59 HD2 TYR 59 73.048 5.822 8.560 421 HE1 TYR 59 HE1 TYR 59 68.134 5.904 9.233 422 HE2 TYR 59 HE2 TYR 59 71.751 7.829 7.949 423 HH TYR 59 HH TYR 59 68.511 7.872 7.518 424 H CYS 60 HN CYS 60 71.478 0.184 9.233 425 HA CYS 60 HA CYS 60 73.959 -0.744 10.150 426 HB2 CYS 60 HB2 CYS 60 71.330 -1.914 9.539 427 HB3 CYS 60 HB1 CYS 60 72.683 -3.015 9.629 428 H ARG 61 HN ARG 61 72.606 -0.524 6.994 429 HA ARG 61 HA ARG 61 73.813 -2.669 5.656 430 HB2 ARG 61 HB2 ARG 61 73.192 0.140 4.708 431 HB3 ARG 61 HB1 ARG 61 73.696 -1.161 3.639 432 HG2 ARG 61 HG2 ARG 61 71.714 -2.482 4.211 433 HG3 ARG 61 HG1 ARG 61 71.242 -1.306 5.433 434 HD2 ARG 61 HD2 ARG 61 70.829 0.372 3.712 435 HD3 ARG 61 HD1 ARG 61 71.444 -0.702 2.465 436 HE ARG 61 HE ARG 61 69.370 -2.032 3.795 437 HH11 ARG 61 HH21 ARG 61 69.887 0.762 1.826 438 HH12 ARG 61 HH22 ARG 61 68.309 0.721 1.113 439 HH21 ARG 61 HH11 ARG 61 67.300 -2.094 2.865 440 HH22 ARG 61 HH12 ARG 61 66.843 -0.900 1.699 441 H TYR 62 HN TYR 62 75.125 0.470 6.544 442 HA TYR 62 HA TYR 62 77.660 -0.003 5.160 443 HB2 TYR 62 HB2 TYR 62 76.646 2.297 6.822 444 HB3 TYR 62 HB1 TYR 62 78.219 2.248 6.054 445 HD1 TYR 62 HD2 TYR 62 78.446 2.310 3.567 446 HD2 TYR 62 HD1 TYR 62 74.569 2.494 5.450 447 HE1 TYR 62 HE2 TYR 62 77.438 3.052 1.443 448 HE2 TYR 62 HE1 TYR 62 73.579 3.240 3.317 449 HH TYR 62 HH TYR 62 75.018 4.555 0.974 450 H GLN 63 HN GLN 63 76.596 0.732 8.466 451 HA GLN 63 HA GLN 63 78.793 -0.885 9.619 452 HB2 GLN 63 HB2 GLN 63 78.159 2.007 10.285 453 HB3 GLN 63 HB1 GLN 63 79.093 0.964 11.348 454 HG2 GLN 63 HG2 GLN 63 80.817 0.694 9.599 455 HG3 GLN 63 HG1 GLN 63 79.866 1.677 8.495 456 HE21 GLN 63 HE21 GLN 63 82.195 2.794 8.720 457 HE22 GLN 63 HE22 GLN 63 82.249 4.059 9.851 458 H LYS 64 HN LYS 64 77.818 -2.339 10.820 459 HA LYS 64 HA LYS 64 75.205 -2.441 11.655 460 HB2 LYS 64 HB2 LYS 64 77.531 -3.602 13.185 461 HB3 LYS 64 HB1 LYS 64 75.872 -4.147 13.275 462 HG2 LYS 64 HG2 LYS 64 77.701 -4.344 10.842 463 HG3 LYS 64 HG1 LYS 64 77.246 -5.666 11.897 464 HD2 LYS 64 HD2 LYS 64 74.783 -5.118 11.180 465 HD3 LYS 64 HD1 LYS 64 75.533 -4.211 9.874 466 HE2 LYS 64 HE2 LYS 64 76.900 -6.368 9.411 467 HE3 LYS 64 HE1 LYS 64 75.681 -7.169 10.404 468 HZ1 LYS 64 HZ1 LYS 64 74.349 -5.487 8.639 469 HZ2 LYS 64 HZ2 LYS 64 74.360 -7.186 8.653 470 HZ3 LYS 64 HZ3 LYS 64 75.502 -6.335 7.728 471 H ASP 65 HN ASP 65 74.005 -2.004 13.404 472 HA ASP 65 HA ASP 65 75.111 -0.218 15.509 473 HB2 ASP 65 HB2 ASP 65 72.263 0.087 14.822 474 HB3 ASP 65 HB1 ASP 65 73.444 1.280 15.308 475 H LEU 66 HN LEU 66 74.577 -3.200 15.461 476 HA LEU 66 HA LEU 66 72.238 -3.723 16.971 477 HB2 LEU 66 HB2 LEU 66 74.827 -5.253 16.661 478 HB3 LEU 66 HB1 LEU 66 73.481 -5.892 17.584 479 HG LEU 66 HG LEU 66 72.930 -4.962 14.766 480 HD11 LEU 66 HD11 LEU 66 73.449 -7.332 14.001 481 HD12 LEU 66 HD12 LEU 66 74.360 -7.531 15.497 482 HD13 LEU 66 HD13 LEU 66 74.856 -6.320 14.312 483 HD21 LEU 66 HD21 LEU 66 71.952 -7.467 16.156 484 HD22 LEU 66 HD22 LEU 66 71.218 -6.612 14.803 485 HD23 LEU 66 HD23 LEU 66 71.154 -5.919 16.415 486 H ALA 67 HN ALA 67 74.684 -1.800 17.984 487 HA ALA 67 HA ALA 67 75.162 -2.743 20.632 488 HB1 ALA 67 HB1 ALA 67 75.664 -0.010 20.598 489 HB2 ALA 67 HB2 ALA 67 75.987 -0.529 18.944 490 HB3 ALA 67 HB3 ALA 67 76.833 -1.293 20.290 491 H ILE 68 HN ILE 68 72.901 -0.340 19.201 492 HA ILE 68 HA ILE 68 72.038 0.646 21.688 493 HB ILE 68 HB ILE 68 69.933 1.372 20.329 494 HG12 ILE 68 HG12 ILE 68 71.706 1.016 17.940 495 HG13 ILE 68 HG11 ILE 68 70.742 -0.364 18.412 496 HG21 ILE 68 HG21 ILE 68 71.411 3.116 19.099 497 HG22 ILE 68 HG22 ILE 68 72.774 2.285 19.837 498 HG23 ILE 68 HG23 ILE 68 71.541 3.037 20.856 499 HD11 ILE 68 HD11 ILE 68 68.678 0.878 18.131 500 HD12 ILE 68 HD12 ILE 68 69.654 1.159 16.704 501 HD13 ILE 68 HD13 ILE 68 69.558 2.395 17.950 502 H HIS 69 HN HIS 69 70.164 -1.671 19.624 503 HA HIS 69 HA HIS 69 68.369 -2.364 21.702 504 HB2 HIS 69 HB2 HIS 69 67.880 -2.806 19.346 505 HB3 HIS 69 HB1 HIS 69 69.257 -3.887 19.240 506 HD2 HIS 69 HD2 HIS 69 68.716 -6.500 19.974 507 HE1 HIS 69 HE1 HIS 69 64.932 -5.828 21.722 508 HE2 HIS 69 HE2 HIS 69 66.608 -7.611 21.038 509 H HIS 70 HN HIS 70 68.640 -3.666 23.417 510 HA HIS 70 HA HIS 70 71.176 -4.888 23.973 511 HB2 HIS 70 HB2 HIS 70 68.498 -5.117 25.364 512 HB3 HIS 70 HB1 HIS 70 70.011 -5.774 25.987 513 HD2 HIS 70 HD2 HIS 70 68.110 -2.427 25.950 514 HE1 HIS 70 HE1 HIS 70 72.025 -1.561 27.264 515 HE2 HIS 70 HE2 HIS 70 69.675 -0.631 27.005 516 H GLN 71 HN GLN 71 71.808 -6.979 23.740 517 HA GLN 71 HA GLN 71 70.427 -8.662 21.927 518 HB2 GLN 71 HB2 GLN 71 72.738 -9.153 23.818 519 HB3 GLN 71 HB1 GLN 71 72.110 -10.410 22.758 520 HG2 GLN 71 HG2 GLN 71 72.899 -7.730 21.620 521 HG3 GLN 71 HG1 GLN 71 74.125 -8.949 21.944 522 HE21 GLN 71 HE21 GLN 71 72.034 -7.838 19.552 523 HE22 GLN 71 HE22 GLN 71 71.977 -9.236 18.590 524 H HIS 72 HN HIS 72 69.000 -10.281 22.220 525 HA HIS 72 HA HIS 72 67.547 -10.454 24.648 526 HB2 HIS 72 HB2 HIS 72 67.601 -12.178 22.170 527 HB3 HIS 72 HB1 HIS 72 66.521 -12.496 23.529 528 HD2 HIS 72 HD2 HIS 72 66.683 -10.201 20.439 529 HE1 HIS 72 HE1 HIS 72 63.585 -8.706 22.886 530 HE2 HIS 72 HE2 HIS 72 64.663 -8.552 20.593 531 H HIS 73 HN HIS 73 70.041 -12.508 23.190 532 HA HIS 73 HA HIS 73 69.918 -14.548 25.186 533 HB2 HIS 73 HB2 HIS 73 72.007 -13.797 23.138 534 HB3 HIS 73 HB1 HIS 73 72.189 -15.166 24.235 535 HD2 HIS 73 HD2 HIS 73 70.784 -17.448 23.467 536 HE1 HIS 73 HE1 HIS 73 68.568 -15.698 20.330 537 HE2 HIS 73 HE2 HIS 73 69.124 -17.884 21.500 538 H HIS 74 HN HIS 74 70.941 -14.719 27.104 539 HA HIS 74 HA HIS 74 72.025 -12.409 28.345 540 HB2 HIS 74 HB2 HIS 74 72.001 -15.326 29.126 541 HB3 HIS 74 HB1 HIS 74 72.697 -14.069 30.148 542 HD2 HIS 74 HD2 HIS 74 69.226 -15.522 29.289 543 HE1 HIS 74 HE1 HIS 74 68.557 -11.973 31.474 544 HE2 HIS 74 HE2 HIS 74 67.456 -14.054 30.531 545 H GLY 75 HN GLY 75 73.486 -15.292 26.907 546 HA2 GLY 75 HA2 GLY 75 75.604 -15.621 26.053 547 HA3 GLY 75 HA1 GLY 75 75.942 -13.919 26.345 548 H GLY 76 HN GLY 76 74.746 -15.749 29.003 549 HA2 GLY 76 HA2 GLY 76 77.039 -15.239 30.601 550 HA3 GLY 76 HA1 GLY 76 75.695 -16.294 31.031 551 H SER 77 HN SER 77 78.477 -16.793 31.555 552 HA SER 77 HA SER 77 79.538 -18.661 29.667 553 HB2 SER 77 HB2 SER 77 81.293 -18.945 31.178 554 HB3 SER 77 HB1 SER 77 80.750 -17.308 31.532 555 HG SER 77 HG SER 77 80.302 -17.980 33.461 556 H MET 78 HN MET 78 79.885 -20.956 30.102 557 HA MET 78 HA MET 78 77.480 -22.311 30.717 558 HB2 MET 78 HB2 MET 78 80.332 -23.233 30.335 559 HB3 MET 78 HB1 MET 78 79.034 -24.361 30.716 560 HG2 MET 78 HG2 MET 78 77.866 -23.853 28.683 561 HG3 MET 78 HG1 MET 78 78.866 -22.433 28.386 562 HE1 MET 78 HE1 MET 78 78.293 -26.018 27.284 563 HE2 MET 78 HE2 MET 78 78.866 -26.259 28.933 564 HE3 MET 78 HE3 MET 78 79.832 -26.834 27.582 565 H GLY 79 HN GLY 79 80.446 -21.747 32.563 566 HA2 GLY 79 HA2 GLY 79 79.086 -21.962 35.066 567 HA3 GLY 79 HA1 GLY 79 80.050 -23.399 34.743 568 H MET 80 HN MET 80 80.739 -22.007 36.912 569 HA MET 80 HA MET 80 82.577 -19.887 36.535 570 HB2 MET 80 HB2 MET 80 82.165 -21.894 38.762 571 HB3 MET 80 HB1 MET 80 83.408 -20.648 38.846 572 HG2 MET 80 HG2 MET 80 81.765 -18.884 38.750 573 HG3 MET 80 HG1 MET 80 80.480 -20.028 38.347 574 HE1 MET 80 HE1 MET 80 79.343 -18.953 41.815 575 HE2 MET 80 HE2 MET 80 78.750 -19.680 40.325 576 HE3 MET 80 HE3 MET 80 79.716 -18.210 40.254 577 H SER 81 HN SER 81 82.962 -23.398 36.687 578 HA SER 81 HA SER 81 85.777 -23.486 36.706 579 HB2 SER 81 HB2 SER 81 84.640 -25.502 37.208 580 HB3 SER 81 HB1 SER 81 83.670 -25.415 35.740 581 HG SER 81 HG SER 81 85.283 -26.217 34.628 582 H GLY 82 HN GLY 82 83.449 -23.463 34.024 583 HA2 GLY 82 HA2 GLY 82 83.696 -22.775 31.837 584 HA3 GLY 82 HA1 GLY 82 85.291 -22.165 32.257 585 H SER 83 HN SER 83 84.532 -25.458 32.984 586 HA SER 83 HA SER 83 85.502 -26.599 30.519 587 HB2 SER 83 HB2 SER 83 87.650 -25.915 31.430 588 HB3 SER 83 HB1 SER 83 87.263 -26.654 32.982 589 HG SER 83 HG SER 83 86.964 -28.338 30.840 590 H GLY 84 HN GLY 84 85.440 -28.918 30.531 591 HA2 GLY 84 HA2 GLY 84 83.270 -29.968 32.037 592 HA3 GLY 84 HA1 GLY 84 84.345 -30.892 30.993 593 H THR 85 HN THR 85 83.331 -31.797 33.485 594 HA THR 85 HA THR 85 85.322 -31.516 35.549 595 HB THR 85 HB THR 85 84.026 -33.490 36.546 596 HG1 THR 85 HG1 THR 85 82.541 -34.358 35.367 597 HG21 THR 85 HG21 THR 85 82.787 -30.825 35.861 598 HG22 THR 85 HG22 THR 85 83.456 -31.369 37.398 599 HG23 THR 85 HG23 THR 85 81.917 -32.013 36.832 600 H GLY 86 HN GLY 86 86.451 -33.445 36.457 601 HA2 GLY 86 HA2 GLY 86 87.823 -35.292 36.283 602 HA3 GLY 86 HA1 GLY 86 86.971 -35.730 34.807 603 H TYR 87 HN TYR 87 89.282 -36.330 34.257 604 HA TYR 87 HA TYR 87 91.222 -34.314 33.767 605 HB2 TYR 87 HB2 TYR 87 90.893 -37.083 32.593 606 HB3 TYR 87 HB1 TYR 87 92.298 -36.067 32.341 607 HD1 TYR 87 HD1 TYR 87 90.340 -37.937 34.901 608 HD2 TYR 87 HD2 TYR 87 93.947 -35.692 34.155 609 HE1 TYR 87 HE1 TYR 87 91.265 -38.683 37.066 610 HE2 TYR 87 HE2 TYR 87 94.855 -36.448 36.318 611 HH TYR 87 HH TYR 87 93.910 -38.944 37.950 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 53.523 1.983 22.433 2 H2 MET 1 HT2 MET 1 54.523 2.839 23.508 3 H3 MET 1 HT3 MET 1 55.208 1.827 22.328 4 HA MET 1 HA MET 1 55.217 3.431 20.824 5 HB2 MET 1 HB2 MET 1 52.340 3.853 21.702 6 HB3 MET 1 HB1 MET 1 53.085 4.752 20.386 7 HG2 MET 1 HG2 MET 1 53.449 2.689 19.121 8 HG3 MET 1 HG1 MET 1 52.886 1.720 20.477 9 HE1 MET 1 HE1 MET 1 50.424 4.059 17.419 10 HE2 MET 1 HE2 MET 1 51.844 3.071 17.107 11 HE3 MET 1 HE3 MET 1 52.004 4.572 18.016 12 H GLY 2 HN GLY 2 56.328 5.252 21.025 13 HA2 GLY 2 HA2 GLY 2 56.611 6.593 23.500 14 HA3 GLY 2 HA1 GLY 2 57.251 7.142 21.953 15 H ALA 3 HN ALA 3 54.686 7.263 20.620 16 HA ALA 3 HA ALA 3 53.976 9.890 21.218 17 HB1 ALA 3 HB1 ALA 3 53.405 8.038 19.218 18 HB2 ALA 3 HB2 ALA 3 52.850 9.710 19.272 19 HB3 ALA 3 HB3 ALA 3 51.831 8.419 19.913 20 HA PRO 4 HA PRO 4 50.830 9.554 24.408 21 HB2 PRO 4 HB2 PRO 4 48.599 10.583 22.773 22 HB3 PRO 4 HB1 PRO 4 49.321 11.267 24.237 23 HG2 PRO 4 HG2 PRO 4 49.629 12.345 21.794 24 HG3 PRO 4 HG1 PRO 4 50.852 12.465 23.069 25 HD2 PRO 4 HD2 PRO 4 50.839 10.751 20.626 26 HD3 PRO 4 HD1 PRO 4 52.188 11.510 21.495 27 H VAL 5 HN VAL 5 49.161 8.158 25.153 28 HA VAL 5 HA VAL 5 47.769 6.409 23.212 29 HB VAL 5 HB VAL 5 49.360 5.408 25.616 30 HG11 VAL 5 HG11 VAL 5 47.336 4.075 23.912 31 HG12 VAL 5 HG12 VAL 5 47.962 3.639 25.496 32 HG13 VAL 5 HG13 VAL 5 48.863 3.211 24.048 33 HG21 VAL 5 HG21 VAL 5 50.995 5.899 24.019 34 HG22 VAL 5 HG22 VAL 5 50.002 5.376 22.662 35 HG23 VAL 5 HG23 VAL 5 50.676 4.190 23.776 36 HA PRO 6 HA PRO 6 45.082 8.107 26.787 37 HB2 PRO 6 HB2 PRO 6 43.057 8.095 24.619 38 HB3 PRO 6 HB1 PRO 6 43.420 9.349 25.812 39 HG2 PRO 6 HG2 PRO 6 44.100 9.562 23.232 40 HG3 PRO 6 HG1 PRO 6 45.058 10.275 24.539 41 HD2 PRO 6 HD2 PRO 6 45.635 7.886 22.868 42 HD3 PRO 6 HD1 PRO 6 46.743 9.015 23.664 43 H TYR 7 HN TYR 7 44.304 5.874 24.169 44 HA TYR 7 HA TYR 7 42.330 4.407 25.635 45 HB2 TYR 7 HB2 TYR 7 43.366 2.833 23.474 46 HB3 TYR 7 HB1 TYR 7 41.807 3.616 23.600 47 HD1 TYR 7 HD2 TYR 7 41.464 5.949 22.754 48 HD2 TYR 7 HD1 TYR 7 45.222 3.906 22.207 49 HE1 TYR 7 HE2 TYR 7 42.133 7.615 21.069 50 HE2 TYR 7 HE1 TYR 7 45.880 5.582 20.524 51 HH TYR 7 HH TYR 7 45.378 7.630 19.674 52 HA PRO 8 HA PRO 8 45.146 1.548 27.661 53 HB2 PRO 8 HB2 PRO 8 43.851 -0.831 27.772 54 HB3 PRO 8 HB1 PRO 8 43.293 0.593 28.668 55 HG2 PRO 8 HG2 PRO 8 42.322 -0.511 26.083 56 HG3 PRO 8 HG1 PRO 8 41.395 0.073 27.475 57 HD2 PRO 8 HD2 PRO 8 41.826 1.594 25.250 58 HD3 PRO 8 HD1 PRO 8 41.608 2.285 26.872 59 H ASP 9 HN ASP 9 46.114 -0.813 27.433 60 HA ASP 9 HA ASP 9 46.467 -1.811 24.738 61 HB2 ASP 9 HB2 ASP 9 47.972 0.132 24.675 62 HB3 ASP 9 HB1 ASP 9 48.808 -0.444 26.112 63 HA PRO 10 HA PRO 10 47.177 -4.783 28.367 64 HB2 PRO 10 HB2 PRO 10 45.645 -6.728 26.810 65 HB3 PRO 10 HB1 PRO 10 45.357 -6.140 28.455 66 HG2 PRO 10 HG2 PRO 10 43.807 -5.542 26.294 67 HG3 PRO 10 HG1 PRO 10 43.916 -4.559 27.762 68 HD2 PRO 10 HD2 PRO 10 45.069 -4.065 25.074 69 HD3 PRO 10 HD1 PRO 10 44.592 -2.914 26.341 70 H LEU 11 HN LEU 11 47.446 -4.969 24.937 71 HA LEU 11 HA LEU 11 48.802 -7.399 24.597 72 HB2 LEU 11 HB2 LEU 11 48.942 -4.801 23.061 73 HB3 LEU 11 HB1 LEU 11 49.748 -6.257 22.509 74 HG LEU 11 HG LEU 11 46.745 -6.064 23.068 75 HD11 LEU 11 HD11 LEU 11 48.266 -5.590 20.510 76 HD12 LEU 11 HD12 LEU 11 47.048 -4.573 21.280 77 HD13 LEU 11 HD13 LEU 11 46.577 -6.088 20.515 78 HD21 LEU 11 HD21 LEU 11 46.981 -8.015 21.183 79 HD22 LEU 11 HD22 LEU 11 46.926 -8.333 22.910 80 HD23 LEU 11 HD23 LEU 11 48.472 -8.292 22.075 81 H GLU 12 HN GLU 12 50.024 -4.182 25.288 82 HA GLU 12 HA GLU 12 52.085 -3.353 25.846 83 HB2 GLU 12 HB2 GLU 12 52.207 -6.020 27.285 84 HB3 GLU 12 HB1 GLU 12 53.309 -4.683 27.559 85 HG2 GLU 12 HG2 GLU 12 51.453 -3.266 28.323 86 HG3 GLU 12 HG1 GLU 12 50.303 -4.553 27.964 87 HA PRO 13 HA PRO 13 54.153 -5.955 22.439 88 HB2 PRO 13 HB2 PRO 13 54.958 -3.283 21.455 89 HB3 PRO 13 HB1 PRO 13 54.249 -4.644 20.569 90 HG2 PRO 13 HG2 PRO 13 52.887 -2.396 21.165 91 HG3 PRO 13 HG1 PRO 13 52.124 -3.984 20.989 92 HD2 PRO 13 HD2 PRO 13 52.658 -2.419 23.458 93 HD3 PRO 13 HD1 PRO 13 51.396 -3.621 23.118 94 H ARG 14 HN ARG 14 56.308 -6.504 22.470 95 HA ARG 14 HA ARG 14 57.921 -5.613 24.601 96 HB2 ARG 14 HB2 ARG 14 58.040 -7.850 23.336 97 HB3 ARG 14 HB1 ARG 14 58.919 -6.981 22.086 98 HG2 ARG 14 HG2 ARG 14 60.696 -6.387 23.736 99 HG3 ARG 14 HG1 ARG 14 59.811 -7.224 25.005 100 HD2 ARG 14 HD2 ARG 14 60.898 -8.540 22.491 101 HD3 ARG 14 HD1 ARG 14 61.671 -8.593 24.060 102 HE ARG 14 HE ARG 14 59.388 -10.134 23.189 103 HH11 ARG 14 HH21 ARG 14 61.022 -8.816 25.937 104 HH12 ARG 14 HH22 ARG 14 60.342 -9.956 27.047 105 HH21 ARG 14 HH11 ARG 14 58.506 -11.621 24.625 106 HH22 ARG 14 HH12 ARG 14 58.916 -11.542 26.305 107 H GLY 15 HN GLY 15 57.964 -4.881 21.130 108 HA2 GLY 15 HA2 GLY 15 58.746 -3.023 20.008 109 HA3 GLY 15 HA1 GLY 15 59.032 -2.254 21.564 110 H GLY 16 HN GLY 16 60.940 -1.570 20.103 111 HA2 GLY 16 HA2 GLY 16 63.286 -2.905 21.051 112 HA3 GLY 16 HA1 GLY 16 63.028 -3.187 19.331 113 H LYS 17 HN LYS 17 65.182 -1.716 20.646 114 HA LYS 17 HA LYS 17 64.749 1.097 20.195 115 HB2 LYS 17 HB2 LYS 17 67.265 -0.554 20.505 116 HB3 LYS 17 HB1 LYS 17 67.236 1.208 20.429 117 HG2 LYS 17 HG2 LYS 17 65.881 1.349 22.445 118 HG3 LYS 17 HG1 LYS 17 65.691 -0.398 22.496 119 HD2 LYS 17 HD2 LYS 17 68.101 -0.657 22.879 120 HD3 LYS 17 HD1 LYS 17 68.320 1.089 22.811 121 HE2 LYS 17 HE2 LYS 17 66.857 1.318 24.805 122 HE3 LYS 17 HE1 LYS 17 66.653 -0.436 24.846 123 HZ1 LYS 17 HZ1 LYS 17 68.741 1.105 25.903 124 HZ2 LYS 17 HZ2 LYS 17 69.380 0.112 24.682 125 HZ3 LYS 17 HZ3 LYS 17 68.525 -0.576 25.981 126 H HIS 18 HN HIS 18 66.447 -1.500 18.517 127 HA HIS 18 HA HIS 18 67.371 -0.097 16.362 128 HB2 HIS 18 HB2 HIS 18 67.317 -2.750 17.029 129 HB3 HIS 18 HB1 HIS 18 66.263 -2.723 15.631 130 HD2 HIS 18 HD2 HIS 18 68.196 -0.390 14.000 131 HE1 HIS 18 HE1 HIS 18 71.044 -3.481 14.182 132 H ILE 19 HN ILE 19 64.128 -1.331 16.812 133 HA ILE 19 HA ILE 19 63.248 -0.248 14.192 134 HB ILE 19 HB ILE 19 61.844 -2.257 15.976 135 HG12 ILE 19 HG12 ILE 19 63.766 -3.419 15.165 136 HG13 ILE 19 HG11 ILE 19 62.374 -3.981 14.257 137 HG21 ILE 19 HG21 ILE 19 60.568 -2.723 13.766 138 HG22 ILE 19 HG22 ILE 19 61.101 -1.120 13.283 139 HG23 ILE 19 HG23 ILE 19 60.111 -1.327 14.726 140 HD11 ILE 19 HD11 ILE 19 64.006 -3.753 12.607 141 HD12 ILE 19 HD12 ILE 19 64.679 -2.285 13.310 142 HD13 ILE 19 HD13 ILE 19 63.147 -2.223 12.448 143 H CYS 20 HN CYS 20 62.325 1.622 14.298 144 HA CYS 20 HA CYS 20 61.357 2.767 16.738 145 HB2 CYS 20 HB2 CYS 20 62.235 4.032 14.791 146 HB3 CYS 20 HB1 CYS 20 60.779 3.605 13.900 147 H ALA 21 HN ALA 21 59.303 2.897 17.502 148 HA ALA 21 HA ALA 21 57.382 0.960 16.603 149 HB1 ALA 21 HB1 ALA 21 57.069 3.194 18.607 150 HB2 ALA 21 HB2 ALA 21 57.690 1.585 18.981 151 HB3 ALA 21 HB3 ALA 21 56.025 1.784 18.432 152 H ILE 22 HN ILE 22 58.142 4.120 15.679 153 HA ILE 22 HA ILE 22 55.431 4.717 14.630 154 HB ILE 22 HB ILE 22 57.770 6.513 15.280 155 HG12 ILE 22 HG12 ILE 22 54.992 6.876 16.351 156 HG13 ILE 22 HG11 ILE 22 55.974 5.603 17.051 157 HG21 ILE 22 HG21 ILE 22 55.302 7.105 13.670 158 HG22 ILE 22 HG22 ILE 22 56.955 7.682 13.443 159 HG23 ILE 22 HG23 ILE 22 55.960 8.348 14.724 160 HD11 ILE 22 HD11 ILE 22 57.640 7.150 17.798 161 HD12 ILE 22 HD12 ILE 22 56.088 7.869 18.216 162 HD13 ILE 22 HD13 ILE 22 56.976 8.455 16.811 163 H CYS 23 HN CYS 23 58.705 5.687 13.642 164 HA CYS 23 HA CYS 23 58.089 5.841 10.906 165 HB2 CYS 23 HB2 CYS 23 60.843 5.446 12.033 166 HB3 CYS 23 HB1 CYS 23 60.365 6.393 10.625 167 H GLY 24 HN GLY 24 58.845 3.174 12.871 168 HA2 GLY 24 HA2 GLY 24 58.917 0.913 12.313 169 HA3 GLY 24 HA1 GLY 24 58.609 1.361 10.659 170 H ASN 25 HN ASN 25 61.238 3.216 11.261 171 HA ASN 25 HA ASN 25 63.316 1.153 11.142 172 HB2 ASN 25 HB2 ASN 25 62.646 2.846 8.716 173 HB3 ASN 25 HB1 ASN 25 64.163 1.988 8.881 174 HD21 ASN 25 HD21 ASN 25 63.626 -0.489 9.679 175 HD22 ASN 25 HD22 ASN 25 62.504 -1.263 8.669 176 H ASN 26 HN ASN 26 62.592 3.898 12.532 177 HA ASN 26 HA ASN 26 65.233 5.225 12.111 178 HB2 ASN 26 HB2 ASN 26 63.130 6.575 11.993 179 HB3 ASN 26 HB1 ASN 26 62.947 6.339 13.729 180 HD21 ASN 26 HD21 ASN 26 65.248 7.517 11.256 181 HD22 ASN 26 HD22 ASN 26 66.022 8.647 12.260 182 H ALA 27 HN ALA 27 64.474 6.222 15.062 183 HA ALA 27 HA ALA 27 65.373 5.891 17.116 184 HB1 ALA 27 HB1 ALA 27 64.253 3.133 16.541 185 HB2 ALA 27 HB2 ALA 27 63.373 4.503 17.211 186 HB3 ALA 27 HB3 ALA 27 64.669 3.761 18.140 187 H GLU 28 HN GLU 28 67.464 6.072 15.685 188 HA GLU 28 HA GLU 28 69.342 4.195 16.739 189 HB2 GLU 28 HB2 GLU 28 68.550 3.004 14.706 190 HB3 GLU 28 HB1 GLU 28 68.911 4.428 13.739 191 HG2 GLU 28 HG2 GLU 28 71.222 4.145 13.965 192 HG3 GLU 28 HG1 GLU 28 71.074 3.084 15.360 193 H ASP 29 HN ASP 29 68.625 7.062 14.839 194 HA ASP 29 HA ASP 29 71.105 8.336 15.772 195 HB2 ASP 29 HB2 ASP 29 70.328 8.028 12.863 196 HB3 ASP 29 HB1 ASP 29 71.507 9.209 13.427 197 H TYR 30 HN TYR 30 69.278 9.704 13.147 198 HA TYR 30 HA TYR 30 68.531 11.999 14.812 199 HB2 TYR 30 HB2 TYR 30 68.357 11.476 11.843 200 HB3 TYR 30 HB1 TYR 30 67.889 12.978 12.615 201 HD1 TYR 30 HD2 TYR 30 69.592 14.387 13.817 202 HD2 TYR 30 HD1 TYR 30 70.753 10.905 11.558 203 HE1 TYR 30 HE2 TYR 30 71.937 15.157 13.816 204 HE2 TYR 30 HE1 TYR 30 73.088 11.683 11.570 205 HH TYR 30 HH TYR 30 74.382 13.602 13.517 206 H LYS 31 HN LYS 31 66.521 12.404 15.513 207 HA LYS 31 HA LYS 31 64.340 10.564 14.850 208 HB2 LYS 31 HB2 LYS 31 64.631 12.678 17.007 209 HB3 LYS 31 HB1 LYS 31 63.205 11.673 16.804 210 HG2 LYS 31 HG2 LYS 31 64.573 9.630 17.188 211 HG3 LYS 31 HG1 LYS 31 66.007 10.632 17.386 212 HD2 LYS 31 HD2 LYS 31 64.977 11.715 19.376 213 HD3 LYS 31 HD1 LYS 31 63.532 10.731 19.171 214 HE2 LYS 31 HE2 LYS 31 64.868 8.679 19.558 215 HE3 LYS 31 HE1 LYS 31 66.320 9.662 19.754 216 HZ1 LYS 31 HZ1 LYS 31 65.771 10.090 21.836 217 HZ2 LYS 31 HZ2 LYS 31 64.488 8.985 21.696 218 HZ3 LYS 31 HZ3 LYS 31 64.229 10.636 21.392 219 H HIS 32 HN HIS 32 64.958 12.111 12.726 220 HA HIS 32 HA HIS 32 63.289 14.486 12.623 221 HB2 HIS 32 HB2 HIS 32 65.235 13.137 10.832 222 HB3 HIS 32 HB1 HIS 32 63.977 14.107 10.066 223 HD2 HIS 32 HD2 HIS 32 66.216 14.903 13.289 224 HE1 HIS 32 HE1 HIS 32 66.253 18.225 10.682 225 HE2 HIS 32 HE2 HIS 32 67.084 17.342 12.912 226 H THR 33 HN THR 33 63.113 11.133 11.624 227 HA THR 33 HA THR 33 60.796 11.479 9.939 228 HB THR 33 HB THR 33 60.762 8.934 10.135 229 HG1 THR 33 HG1 THR 33 61.936 8.989 12.140 230 HG21 THR 33 HG21 THR 33 63.113 10.494 9.065 231 HG22 THR 33 HG22 THR 33 61.767 9.789 8.173 232 HG23 THR 33 HG23 THR 33 63.009 8.748 8.867 233 H ASP 34 HN ASP 34 61.339 11.303 13.297 234 HA ASP 34 HA ASP 34 58.908 9.979 14.089 235 HB2 ASP 34 HB2 ASP 34 60.873 11.730 15.553 236 HB3 ASP 34 HB1 ASP 34 59.434 11.072 16.327 237 H MET 35 HN MET 35 59.463 12.898 12.654 238 HA MET 35 HA MET 35 56.945 14.142 13.631 239 HB2 MET 35 HB2 MET 35 59.590 15.393 12.870 240 HB3 MET 35 HB1 MET 35 58.080 16.300 12.896 241 HG2 MET 35 HG2 MET 35 57.852 16.117 15.223 242 HG3 MET 35 HG1 MET 35 58.857 14.679 15.308 243 HE1 MET 35 HE1 MET 35 60.391 18.991 14.694 244 HE2 MET 35 HE2 MET 35 58.759 18.399 14.403 245 HE3 MET 35 HE3 MET 35 60.042 18.016 13.261 246 H ASP 36 HN ASP 36 55.697 15.225 12.096 247 HA ASP 36 HA ASP 36 55.712 14.022 9.478 248 HB2 ASP 36 HB2 ASP 36 53.619 14.488 10.640 249 HB3 ASP 36 HB1 ASP 36 53.988 16.211 10.655 250 H LEU 37 HN LEU 37 57.414 14.656 8.270 251 HA LEU 37 HA LEU 37 58.283 17.405 8.044 252 HB2 LEU 37 HB2 LEU 37 58.938 15.037 6.268 253 HB3 LEU 37 HB1 LEU 37 59.829 16.546 6.340 254 HG LEU 37 HG LEU 37 59.584 14.492 8.601 255 HD11 LEU 37 HD11 LEU 37 61.956 15.193 6.853 256 HD12 LEU 37 HD12 LEU 37 61.051 13.678 6.836 257 HD13 LEU 37 HD13 LEU 37 61.995 14.125 8.251 258 HD21 LEU 37 HD21 LEU 37 59.946 16.442 9.824 259 HD22 LEU 37 HD22 LEU 37 60.871 17.219 8.541 260 HD23 LEU 37 HD23 LEU 37 61.596 15.930 9.495 261 H THR 38 HN THR 38 58.004 18.791 6.333 262 HA THR 38 HA THR 38 55.513 18.697 5.016 263 HB THR 38 HB THR 38 57.987 20.375 4.471 264 HG1 THR 38 HG1 THR 38 57.249 20.945 6.393 265 HG21 THR 38 HG21 THR 38 56.087 21.958 3.531 266 HG22 THR 38 HG22 THR 38 55.244 20.446 3.216 267 HG23 THR 38 HG23 THR 38 56.821 20.748 2.490 268 H TYR 39 HN TYR 39 58.825 18.108 3.870 269 HA TYR 39 HA TYR 39 57.966 17.316 1.207 270 HB2 TYR 39 HB2 TYR 39 60.665 17.273 2.574 271 HB3 TYR 39 HB1 TYR 39 60.394 16.841 0.895 272 HD1 TYR 39 HD2 TYR 39 60.375 19.636 3.345 273 HD2 TYR 39 HD1 TYR 39 59.796 18.572 -0.795 274 HE1 TYR 39 HE2 TYR 39 60.476 22.011 2.711 275 HE2 TYR 39 HE1 TYR 39 59.899 20.955 -1.411 276 HH TYR 39 HH TYR 39 60.407 23.483 1.058 277 H THR 40 HN THR 40 56.570 15.538 1.812 278 HA THR 40 HA THR 40 57.538 13.256 3.223 279 HB THR 40 HB THR 40 55.520 12.133 2.137 280 HG1 THR 40 HG1 THR 40 54.092 13.666 1.152 281 HG21 THR 40 HG21 THR 40 55.303 14.651 3.796 282 HG22 THR 40 HG22 THR 40 55.181 12.973 4.326 283 HG23 THR 40 HG23 THR 40 53.884 13.694 3.375 284 H ASP 41 HN ASP 41 57.394 14.162 -0.178 285 HA ASP 41 HA ASP 41 58.341 11.598 -1.147 286 HB2 ASP 41 HB2 ASP 41 56.851 13.025 -2.504 287 HB3 ASP 41 HB1 ASP 41 58.103 14.262 -2.565 288 H ARG 42 HN ARG 42 60.351 10.992 -0.804 289 HA ARG 42 HA ARG 42 62.600 12.901 -1.173 290 HB2 ARG 42 HB2 ARG 42 62.335 10.714 0.902 291 HB3 ARG 42 HB1 ARG 42 63.808 11.624 0.588 292 HG2 ARG 42 HG2 ARG 42 62.650 13.734 1.242 293 HG3 ARG 42 HG1 ARG 42 61.172 12.828 1.535 294 HD2 ARG 42 HD2 ARG 42 62.277 13.238 3.658 295 HD3 ARG 42 HD1 ARG 42 62.361 11.525 3.306 296 HE ARG 42 HE ARG 42 64.654 11.682 3.117 297 HH11 ARG 42 HH21 ARG 42 63.285 14.858 3.058 298 HH12 ARG 42 HH22 ARG 42 64.819 15.654 3.161 299 HH21 ARG 42 HH11 ARG 42 66.646 12.712 3.240 300 HH22 ARG 42 HH12 ARG 42 66.717 14.443 3.263 301 H ASP 43 HN ASP 43 63.326 12.336 -3.098 302 HA ASP 43 HA ASP 43 63.379 9.617 -4.046 303 HB2 ASP 43 HB2 ASP 43 63.100 11.528 -5.563 304 HB3 ASP 43 HB1 ASP 43 64.712 12.093 -5.139 305 H TYR 44 HN TYR 44 64.742 8.203 -3.329 306 HA TYR 44 HA TYR 44 67.310 8.900 -2.143 307 HB2 TYR 44 HB2 TYR 44 65.948 6.241 -2.588 308 HB3 TYR 44 HB1 TYR 44 67.475 6.454 -1.753 309 HD1 TYR 44 HD1 TYR 44 67.591 7.666 0.442 310 HD2 TYR 44 HD2 TYR 44 63.814 6.956 -1.522 311 HE1 TYR 44 HE1 TYR 44 66.392 8.208 2.526 312 HE2 TYR 44 HE2 TYR 44 62.633 7.497 0.572 313 HH TYR 44 HH TYR 44 64.330 8.780 3.371 314 H LYS 45 HN LYS 45 69.297 8.459 -2.989 315 HA LYS 45 HA LYS 45 69.568 8.349 -5.807 316 HB2 LYS 45 HB2 LYS 45 71.587 7.873 -3.592 317 HB3 LYS 45 HB1 LYS 45 72.011 7.997 -5.296 318 HG2 LYS 45 HG2 LYS 45 71.114 10.302 -5.380 319 HG3 LYS 45 HG1 LYS 45 70.614 10.184 -3.697 320 HD2 LYS 45 HD2 LYS 45 72.994 9.938 -3.009 321 HD3 LYS 45 HD1 LYS 45 73.490 10.040 -4.696 322 HE2 LYS 45 HE2 LYS 45 72.563 12.338 -4.831 323 HE3 LYS 45 HE1 LYS 45 72.060 12.232 -3.143 324 HZ1 LYS 45 HZ1 LYS 45 74.095 13.283 -3.047 325 HZ2 LYS 45 HZ2 LYS 45 74.783 12.312 -4.260 326 HZ3 LYS 45 HZ3 LYS 45 74.498 11.670 -2.714 327 H ASN 46 HN ASN 46 69.973 5.913 -3.276 328 HA ASN 46 HA ASN 46 70.174 3.632 -3.321 329 HB2 ASN 46 HB2 ASN 46 68.635 3.758 -5.924 330 HB3 ASN 46 HB1 ASN 46 68.676 2.449 -4.746 331 HD21 ASN 46 HD21 ASN 46 66.654 4.821 -5.776 332 HD22 ASN 46 HD22 ASN 46 65.840 5.167 -4.327 333 H CYS 47 HN CYS 47 72.297 5.159 -4.525 334 HA CYS 47 HA CYS 47 73.159 4.065 -6.980 335 HB2 CYS 47 HB2 CYS 47 74.450 5.571 -4.753 336 HB3 CYS 47 HB1 CYS 47 75.490 4.768 -5.929 337 HG CYS 47 HG CYS 47 73.591 6.182 -7.608 338 H GLU 48 HN GLU 48 73.965 3.208 -3.630 339 HA GLU 48 HA GLU 48 74.726 0.471 -4.457 340 HB2 GLU 48 HB2 GLU 48 76.366 2.440 -2.861 341 HB3 GLU 48 HB1 GLU 48 76.520 0.714 -2.561 342 HG2 GLU 48 HG2 GLU 48 76.793 1.825 -5.360 343 HG3 GLU 48 HG1 GLU 48 78.155 1.821 -4.251 344 H SER 49 HN SER 49 74.044 -1.093 -3.119 345 HA SER 49 HA SER 49 73.253 -0.626 -0.393 346 HB2 SER 49 HB2 SER 49 71.283 0.336 -1.451 347 HB3 SER 49 HB1 SER 49 71.133 -1.061 -2.514 348 HG SER 49 HG SER 49 71.261 -1.616 0.188 349 H TYR 50 HN TYR 50 72.723 -2.555 0.681 350 HA TYR 50 HA TYR 50 72.806 -5.115 -0.757 351 HB2 TYR 50 HB2 TYR 50 74.803 -4.313 1.370 352 HB3 TYR 50 HB1 TYR 50 74.569 -5.957 0.818 353 HD1 TYR 50 HD2 TYR 50 74.970 -6.540 -1.625 354 HD2 TYR 50 HD1 TYR 50 76.135 -2.729 0.029 355 HE1 TYR 50 HE2 TYR 50 76.477 -6.152 -3.546 356 HE2 TYR 50 HE1 TYR 50 77.627 -2.358 -1.892 357 HH TYR 50 HH TYR 50 77.944 -3.084 -4.148 358 H HIS 51 HN HIS 51 71.967 -6.863 0.487 359 HA HIS 51 HA HIS 51 70.342 -6.065 2.842 360 HB2 HIS 51 HB2 HIS 51 69.952 -8.285 0.824 361 HB3 HIS 51 HB1 HIS 51 68.885 -7.928 2.181 362 HD2 HIS 51 HD2 HIS 51 69.251 -6.903 -1.469 363 HE1 HIS 51 HE1 HIS 51 66.937 -3.876 0.344 364 HE2 HIS 51 HE2 HIS 51 67.727 -4.824 -1.873 365 H LYS 52 HN LYS 52 73.231 -7.311 2.318 366 HA LYS 52 HA LYS 52 73.207 -9.880 3.490 367 HB2 LYS 52 HB2 LYS 52 75.382 -7.761 3.460 368 HB3 LYS 52 HB1 LYS 52 75.628 -9.422 3.991 369 HG2 LYS 52 HG2 LYS 52 75.028 -10.269 1.755 370 HG3 LYS 52 HG1 LYS 52 74.680 -8.632 1.207 371 HD2 LYS 52 HD2 LYS 52 77.070 -8.011 1.558 372 HD3 LYS 52 HD1 LYS 52 77.408 -9.647 2.116 373 HE2 LYS 52 HE2 LYS 52 76.788 -10.538 -0.105 374 HE3 LYS 52 HE1 LYS 52 76.410 -8.908 -0.662 375 HZ1 LYS 52 HZ1 LYS 52 78.641 -9.621 -1.303 376 HZ2 LYS 52 HZ2 LYS 52 79.061 -9.798 0.334 377 HZ3 LYS 52 HZ3 LYS 52 78.681 -8.263 -0.288 378 H CYS 53 HN CYS 53 73.582 -6.632 4.907 379 HA CYS 53 HA CYS 53 73.844 -7.660 7.597 380 HB2 CYS 53 HB2 CYS 53 73.163 -4.853 6.779 381 HB3 CYS 53 HB1 CYS 53 74.029 -5.393 8.212 382 HG CYS 53 HG CYS 53 75.882 -6.285 6.351 383 H SER 54 HN SER 54 72.076 -5.495 8.634 384 HA SER 54 HA SER 54 69.588 -6.970 8.791 385 HB2 SER 54 HB2 SER 54 70.673 -4.536 10.193 386 HB3 SER 54 HB1 SER 54 69.024 -5.111 10.410 387 HG SER 54 HG SER 54 69.946 -7.145 11.015 388 H ASP 55 HN ASP 55 68.973 -6.625 6.630 389 HA ASP 55 HA ASP 55 68.659 -4.382 5.118 390 HB2 ASP 55 HB2 ASP 55 67.995 -6.550 4.263 391 HB3 ASP 55 HB1 ASP 55 66.673 -6.645 5.424 392 H LEU 56 HN LEU 56 66.727 -5.291 7.876 393 HA LEU 56 HA LEU 56 64.561 -3.514 7.594 394 HB2 LEU 56 HB2 LEU 56 65.841 -4.352 10.215 395 HB3 LEU 56 HB1 LEU 56 64.167 -3.899 9.967 396 HG LEU 56 HG LEU 56 65.554 -6.449 8.992 397 HD11 LEU 56 HD11 LEU 56 63.204 -6.130 10.877 398 HD12 LEU 56 HD12 LEU 56 64.868 -6.409 11.393 399 HD13 LEU 56 HD13 LEU 56 64.026 -7.624 10.440 400 HD21 LEU 56 HD21 LEU 56 63.122 -7.081 8.342 401 HD22 LEU 56 HD22 LEU 56 64.025 -6.049 7.237 402 HD23 LEU 56 HD23 LEU 56 62.819 -5.345 8.314 403 H CYS 57 HN CYS 57 67.668 -3.171 9.277 404 HA CYS 57 HA CYS 57 67.210 -0.318 9.814 405 HB2 CYS 57 HB2 CYS 57 68.093 -1.485 11.608 406 HB3 CYS 57 HB1 CYS 57 69.254 -2.361 10.648 407 H GLN 58 HN GLN 58 67.705 1.059 8.245 408 HA GLN 58 HA GLN 58 69.114 0.384 5.916 409 HB2 GLN 58 HB2 GLN 58 68.826 2.696 5.263 410 HB3 GLN 58 HB1 GLN 58 67.365 2.147 6.075 411 HG2 GLN 58 HG2 GLN 58 68.487 3.183 8.237 412 HG3 GLN 58 HG1 GLN 58 69.483 4.060 7.079 413 HE21 GLN 58 HE21 GLN 58 68.660 6.023 6.476 414 HE22 GLN 58 HE22 GLN 58 67.013 6.433 6.459 415 H TYR 59 HN TYR 59 70.200 2.028 8.814 416 HA TYR 59 HA TYR 59 72.681 2.932 7.693 417 HB2 TYR 59 HB2 TYR 59 71.161 3.361 10.028 418 HB3 TYR 59 HB1 TYR 59 72.770 2.875 10.527 419 HD1 TYR 59 HD2 TYR 59 74.778 4.166 9.742 420 HD2 TYR 59 HD1 TYR 59 70.773 5.500 8.862 421 HE1 TYR 59 HE2 TYR 59 75.641 6.402 9.138 422 HE2 TYR 59 HE1 TYR 59 71.651 7.721 8.264 423 HH TYR 59 HH TYR 59 75.102 8.500 8.603 424 H CYS 60 HN CYS 60 71.629 0.034 9.323 425 HA CYS 60 HA CYS 60 74.100 -0.875 10.288 426 HB2 CYS 60 HB2 CYS 60 71.520 -2.103 9.587 427 HB3 CYS 60 HB1 CYS 60 72.886 -3.178 9.676 428 H ARG 61 HN ARG 61 72.801 -0.685 7.091 429 HA ARG 61 HA ARG 61 74.132 -2.760 5.747 430 HB2 ARG 61 HB2 ARG 61 73.391 0.025 4.808 431 HB3 ARG 61 HB1 ARG 61 73.924 -1.268 3.741 432 HG2 ARG 61 HG2 ARG 61 71.988 -2.655 4.382 433 HG3 ARG 61 HG1 ARG 61 71.480 -1.440 5.550 434 HD2 ARG 61 HD2 ARG 61 71.068 0.158 3.727 435 HD3 ARG 61 HD1 ARG 61 71.632 -1.025 2.548 436 HE ARG 61 HE ARG 61 69.575 -2.185 4.086 437 HH11 ARG 61 HH21 ARG 61 70.114 0.298 1.744 438 HH12 ARG 61 HH22 ARG 61 68.521 0.202 1.071 439 HH21 ARG 61 HH11 ARG 61 67.484 -2.320 3.217 440 HH22 ARG 61 HH12 ARG 61 67.029 -1.284 1.907 441 H TYR 62 HN TYR 62 75.265 0.422 6.706 442 HA TYR 62 HA TYR 62 77.839 0.103 5.354 443 HB2 TYR 62 HB2 TYR 62 76.743 2.302 7.101 444 HB3 TYR 62 HB1 TYR 62 78.310 2.334 6.315 445 HD1 TYR 62 HD1 TYR 62 74.640 2.398 5.751 446 HD2 TYR 62 HD2 TYR 62 78.510 2.590 3.847 447 HE1 TYR 62 HE1 TYR 62 73.588 3.200 3.670 448 HE2 TYR 62 HE2 TYR 62 77.438 3.386 1.776 449 HH TYR 62 HH TYR 62 74.571 3.019 0.924 450 H GLN 63 HN GLN 63 76.702 0.686 8.668 451 HA GLN 63 HA GLN 63 78.888 -0.949 9.789 452 HB2 GLN 63 HB2 GLN 63 78.303 1.935 10.546 453 HB3 GLN 63 HB1 GLN 63 79.217 0.841 11.570 454 HG2 GLN 63 HG2 GLN 63 80.922 0.591 9.784 455 HG3 GLN 63 HG1 GLN 63 79.994 1.672 8.754 456 HE21 GLN 63 HE21 GLN 63 82.348 2.688 9.005 457 HE22 GLN 63 HE22 GLN 63 82.470 3.878 10.210 458 H LYS 64 HN LYS 64 77.965 -2.398 11.018 459 HA LYS 64 HA LYS 64 75.347 -2.513 11.863 460 HB2 LYS 64 HB2 LYS 64 77.835 -3.688 13.069 461 HB3 LYS 64 HB1 LYS 64 76.240 -4.093 13.658 462 HG2 LYS 64 HG2 LYS 64 77.156 -4.492 10.777 463 HG3 LYS 64 HG1 LYS 64 77.270 -5.741 12.002 464 HD2 LYS 64 HD2 LYS 64 74.607 -5.228 12.215 465 HD3 LYS 64 HD1 LYS 64 74.858 -4.668 10.573 466 HE2 LYS 64 HE2 LYS 64 75.911 -6.892 10.038 467 HE3 LYS 64 HE1 LYS 64 75.438 -7.450 11.646 468 HZ1 LYS 64 HZ1 LYS 64 73.393 -6.210 9.961 469 HZ2 LYS 64 HZ2 LYS 64 73.247 -7.436 11.127 470 HZ3 LYS 64 HZ3 LYS 64 73.881 -7.792 9.594 471 H ASP 65 HN ASP 65 74.149 -1.812 13.450 472 HA ASP 65 HA ASP 65 75.331 -0.147 15.613 473 HB2 ASP 65 HB2 ASP 65 72.521 0.302 14.885 474 HB3 ASP 65 HB1 ASP 65 73.752 1.451 15.311 475 H LEU 66 HN LEU 66 74.802 -3.067 15.630 476 HA LEU 66 HA LEU 66 72.397 -3.590 17.054 477 HB2 LEU 66 HB2 LEU 66 74.972 -5.166 16.829 478 HB3 LEU 66 HB1 LEU 66 73.568 -5.781 17.673 479 HG LEU 66 HG LEU 66 73.205 -4.844 14.827 480 HD11 LEU 66 HD11 LEU 66 73.710 -7.232 14.116 481 HD12 LEU 66 HD12 LEU 66 74.477 -7.463 15.683 482 HD13 LEU 66 HD13 LEU 66 75.128 -6.284 14.546 483 HD21 LEU 66 HD21 LEU 66 71.442 -6.444 14.778 484 HD22 LEU 66 HD22 LEU 66 71.300 -5.731 16.377 485 HD23 LEU 66 HD23 LEU 66 72.062 -7.304 16.180 486 H ALA 67 HN ALA 67 74.894 -1.740 18.104 487 HA ALA 67 HA ALA 67 75.464 -2.697 20.685 488 HB1 ALA 67 HB1 ALA 67 76.865 -0.955 20.516 489 HB2 ALA 67 HB2 ALA 67 75.492 0.123 20.755 490 HB3 ALA 67 HB3 ALA 67 75.981 -0.333 19.124 491 H ILE 68 HN ILE 68 73.127 -0.222 19.581 492 HA ILE 68 HA ILE 68 72.030 0.228 22.086 493 HB ILE 68 HB ILE 68 69.882 0.884 20.687 494 HG12 ILE 68 HG12 ILE 68 71.898 1.103 18.449 495 HG13 ILE 68 HG11 ILE 68 71.011 -0.393 18.632 496 HG21 ILE 68 HG21 ILE 68 71.195 2.610 21.678 497 HG22 ILE 68 HG22 ILE 68 71.131 3.022 19.971 498 HG23 ILE 68 HG23 ILE 68 72.578 2.273 20.633 499 HD11 ILE 68 HD11 ILE 68 69.600 2.277 18.483 500 HD12 ILE 68 HD12 ILE 68 68.906 0.670 18.306 501 HD13 ILE 68 HD13 ILE 68 69.968 1.310 17.058 502 H HIS 69 HN HIS 69 70.629 -1.964 19.612 503 HA HIS 69 HA HIS 69 68.568 -2.984 21.179 504 HB2 HIS 69 HB2 HIS 69 69.229 -3.362 18.657 505 HB3 HIS 69 HB1 HIS 69 70.064 -4.769 19.301 506 HD2 HIS 69 HD2 HIS 69 66.334 -3.367 19.384 507 HE1 HIS 69 HE1 HIS 69 66.254 -7.560 19.876 508 HE2 HIS 69 HE2 HIS 69 64.819 -5.479 19.627 509 H HIS 70 HN HIS 70 71.951 -4.007 20.919 510 HA HIS 70 HA HIS 70 71.806 -5.372 23.506 511 HB2 HIS 70 HB2 HIS 70 72.475 -6.778 20.917 512 HB3 HIS 70 HB1 HIS 70 72.976 -7.390 22.493 513 HD2 HIS 70 HD2 HIS 70 70.032 -7.830 20.197 514 HE1 HIS 70 HE1 HIS 70 68.457 -8.435 24.064 515 HE2 HIS 70 HE2 HIS 70 68.005 -8.703 21.578 516 H GLN 71 HN GLN 71 73.327 -4.305 24.545 517 HA GLN 71 HA GLN 71 75.622 -3.147 23.341 518 HB2 GLN 71 HB2 GLN 71 74.993 -3.828 26.233 519 HB3 GLN 71 HB1 GLN 71 76.421 -2.927 25.735 520 HG2 GLN 71 HG2 GLN 71 75.025 -1.140 24.809 521 HG3 GLN 71 HG1 GLN 71 73.564 -2.066 25.147 522 HE21 GLN 71 HE21 GLN 71 75.448 0.417 26.348 523 HE22 GLN 71 HE22 GLN 71 75.012 0.316 27.986 524 H HIS 72 HN HIS 72 75.059 -6.198 25.028 525 HA HIS 72 HA HIS 72 77.805 -7.022 25.022 526 HB2 HIS 72 HB2 HIS 72 75.235 -8.581 25.359 527 HB3 HIS 72 HB1 HIS 72 76.848 -9.255 25.588 528 HD2 HIS 72 HD2 HIS 72 78.147 -8.452 27.975 529 HE1 HIS 72 HE1 HIS 72 74.968 -6.109 29.464 530 HE2 HIS 72 HE2 HIS 72 77.229 -7.122 30.025 531 H HIS 73 HN HIS 73 78.878 -8.363 23.620 532 HA HIS 73 HA HIS 73 78.029 -8.375 20.889 533 HB2 HIS 73 HB2 HIS 73 80.331 -9.691 22.333 534 HB3 HIS 73 HB1 HIS 73 80.076 -9.841 20.594 535 HD2 HIS 73 HD2 HIS 73 80.528 -7.448 19.109 536 HE1 HIS 73 HE1 HIS 73 82.031 -5.214 22.361 537 HE2 HIS 73 HE2 HIS 73 81.721 -5.244 19.840 538 H HIS 74 HN HIS 74 77.341 -10.074 19.612 539 HA HIS 74 HA HIS 74 75.728 -12.051 20.848 540 HB2 HIS 74 HB2 HIS 74 76.726 -11.784 18.004 541 HB3 HIS 74 HB1 HIS 74 75.532 -12.971 18.527 542 HD2 HIS 74 HD2 HIS 74 75.528 -9.444 17.179 543 HE1 HIS 74 HE1 HIS 74 71.958 -9.769 19.408 544 HE2 HIS 74 HE2 HIS 74 73.212 -8.358 17.716 545 H GLY 75 HN GLY 75 78.948 -12.141 19.373 546 HA2 GLY 75 HA2 GLY 75 79.797 -14.333 20.975 547 HA3 GLY 75 HA1 GLY 75 79.406 -14.883 19.348 548 H GLY 76 HN GLY 76 81.901 -15.320 19.897 549 HA2 GLY 76 HA2 GLY 76 83.375 -13.660 18.100 550 HA3 GLY 76 HA1 GLY 76 83.838 -13.350 19.771 551 H SER 77 HN SER 77 85.954 -14.160 19.002 552 HA SER 77 HA SER 77 86.387 -16.806 18.145 553 HB2 SER 77 HB2 SER 77 88.188 -15.291 17.882 554 HB3 SER 77 HB1 SER 77 88.132 -14.802 19.572 555 HG SER 77 HG SER 77 89.728 -16.247 19.568 556 H MET 78 HN MET 78 86.322 -15.375 21.388 557 HA MET 78 HA MET 78 87.055 -17.720 22.798 558 HB2 MET 78 HB2 MET 78 85.536 -15.221 23.594 559 HB3 MET 78 HB1 MET 78 85.882 -16.514 24.738 560 HG2 MET 78 HG2 MET 78 88.275 -16.210 24.472 561 HG3 MET 78 HG1 MET 78 88.029 -15.114 23.114 562 HE1 MET 78 HE1 MET 78 87.687 -14.248 27.592 563 HE2 MET 78 HE2 MET 78 88.924 -15.207 26.788 564 HE3 MET 78 HE3 MET 78 87.262 -15.788 26.839 565 H GLY 79 HN GLY 79 83.937 -16.385 21.802 566 HA2 GLY 79 HA2 GLY 79 81.908 -17.435 21.467 567 HA3 GLY 79 HA1 GLY 79 82.690 -18.973 21.813 568 H MET 80 HN MET 80 80.349 -18.988 22.827 569 HA MET 80 HA MET 80 79.889 -17.665 25.283 570 HB2 MET 80 HB2 MET 80 78.769 -20.193 24.057 571 HB3 MET 80 HB1 MET 80 78.252 -19.617 25.638 572 HG2 MET 80 HG2 MET 80 77.377 -17.577 24.709 573 HG3 MET 80 HG1 MET 80 78.172 -17.870 23.164 574 HE1 MET 80 HE1 MET 80 75.668 -19.261 25.762 575 HE2 MET 80 HE2 MET 80 74.275 -19.653 24.764 576 HE3 MET 80 HE3 MET 80 74.802 -17.981 24.900 577 H SER 81 HN SER 81 81.333 -20.800 24.496 578 HA SER 81 HA SER 81 81.642 -21.649 27.209 579 HB2 SER 81 HB2 SER 81 82.822 -22.545 24.589 580 HB3 SER 81 HB1 SER 81 83.341 -23.246 26.119 581 HG SER 81 HG SER 81 81.029 -23.599 24.708 582 H GLY 82 HN GLY 82 83.484 -21.651 28.503 583 HA2 GLY 82 HA2 GLY 82 85.152 -19.358 28.334 584 HA3 GLY 82 HA1 GLY 82 85.347 -20.695 29.463 585 H SER 83 HN SER 83 87.630 -19.688 28.621 586 HA SER 83 HA SER 83 88.837 -21.832 27.092 587 HB2 SER 83 HB2 SER 83 89.847 -20.268 25.417 588 HB3 SER 83 HB1 SER 83 88.107 -20.467 25.234 589 HG SER 83 HG SER 83 88.850 -18.474 26.972 590 H GLY 84 HN GLY 84 91.187 -21.649 27.026 591 HA2 GLY 84 HA2 GLY 84 93.248 -21.151 27.932 592 HA3 GLY 84 HA1 GLY 84 92.567 -19.634 28.515 593 H THR 85 HN THR 85 90.941 -22.555 29.349 594 HA THR 85 HA THR 85 91.356 -22.120 32.174 595 HB THR 85 HB THR 85 89.771 -23.835 32.506 596 HG1 THR 85 HG1 THR 85 90.028 -24.711 29.848 597 HG21 THR 85 HG21 THR 85 88.921 -22.954 29.756 598 HG22 THR 85 HG22 THR 85 89.019 -21.777 31.069 599 HG23 THR 85 HG23 THR 85 87.943 -23.166 31.206 600 H GLY 86 HN GLY 86 92.024 -23.931 33.608 601 HA2 GLY 86 HA2 GLY 86 93.509 -25.556 34.300 602 HA3 GLY 86 HA1 GLY 86 93.699 -26.031 32.615 603 H TYR 87 HN TYR 87 94.201 -22.715 33.370 604 HA TYR 87 HA TYR 87 97.027 -22.861 33.929 605 HB2 TYR 87 HB2 TYR 87 97.143 -23.372 31.553 606 HB3 TYR 87 HB1 TYR 87 96.089 -22.021 31.177 607 HD1 TYR 87 HD2 TYR 87 99.387 -22.914 32.689 608 HD2 TYR 87 HD1 TYR 87 97.042 -19.768 30.899 609 HE1 TYR 87 HE2 TYR 87 101.385 -21.459 32.603 610 HE2 TYR 87 HE1 TYR 87 99.043 -18.331 30.821 611 HH TYR 87 HH TYR 87 101.251 -18.234 31.103 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 65.656 -10.632 43.176 2 H2 MET 1 HT2 MET 1 64.165 -11.184 42.575 3 H3 MET 1 HT3 MET 1 65.124 -12.200 43.542 4 HA MET 1 HA MET 1 64.137 -11.467 45.363 5 HB2 MET 1 HB2 MET 1 64.975 -8.740 44.312 6 HB3 MET 1 HB1 MET 1 64.282 -8.997 45.906 7 HG2 MET 1 HG2 MET 1 66.152 -10.409 46.567 8 HG3 MET 1 HG1 MET 1 66.823 -10.357 44.941 9 HE1 MET 1 HE1 MET 1 67.440 -8.128 43.728 10 HE2 MET 1 HE2 MET 1 68.871 -8.795 44.512 11 HE3 MET 1 HE3 MET 1 68.553 -7.066 44.594 12 H GLY 2 HN GLY 2 63.300 -9.407 42.585 13 HA2 GLY 2 HA2 GLY 2 61.250 -8.878 41.672 14 HA3 GLY 2 HA1 GLY 2 60.534 -10.117 42.701 15 H ALA 3 HN ALA 3 62.459 -7.637 44.150 16 HA ALA 3 HA ALA 3 60.321 -6.780 45.812 17 HB1 ALA 3 HB1 ALA 3 62.002 -5.920 47.051 18 HB2 ALA 3 HB2 ALA 3 62.603 -4.964 45.693 19 HB3 ALA 3 HB3 ALA 3 63.091 -6.646 45.871 20 HA PRO 4 HA PRO 4 58.642 -3.271 43.572 21 HB2 PRO 4 HB2 PRO 4 59.690 -1.208 45.432 22 HB3 PRO 4 HB1 PRO 4 58.015 -1.561 44.970 23 HG2 PRO 4 HG2 PRO 4 58.989 -2.165 47.376 24 HG3 PRO 4 HG1 PRO 4 57.787 -3.182 46.563 25 HD2 PRO 4 HD2 PRO 4 60.714 -3.640 46.921 26 HD3 PRO 4 HD1 PRO 4 59.369 -4.797 46.908 27 H VAL 5 HN VAL 5 59.237 -1.973 41.877 28 HA VAL 5 HA VAL 5 62.026 -0.962 41.684 29 HB VAL 5 HB VAL 5 60.568 -2.114 39.290 30 HG11 VAL 5 HG11 VAL 5 62.705 -2.162 38.284 31 HG12 VAL 5 HG12 VAL 5 63.539 -2.080 39.831 32 HG13 VAL 5 HG13 VAL 5 62.759 -0.648 39.176 33 HG21 VAL 5 HG21 VAL 5 60.630 -4.026 40.702 34 HG22 VAL 5 HG22 VAL 5 62.211 -3.586 41.355 35 HG23 VAL 5 HG23 VAL 5 62.068 -4.149 39.695 36 HA PRO 6 HA PRO 6 58.664 2.208 40.474 37 HB2 PRO 6 HB2 PRO 6 59.230 4.116 42.369 38 HB3 PRO 6 HB1 PRO 6 57.977 2.876 42.560 39 HG2 PRO 6 HG2 PRO 6 60.749 2.947 43.643 40 HG3 PRO 6 HG1 PRO 6 59.245 2.418 44.418 41 HD2 PRO 6 HD2 PRO 6 61.025 0.647 43.440 42 HD3 PRO 6 HD1 PRO 6 59.278 0.345 43.393 43 H TYR 7 HN TYR 7 62.040 2.118 41.162 44 HA TYR 7 HA TYR 7 62.746 4.682 40.129 45 HB2 TYR 7 HB2 TYR 7 64.763 2.526 39.870 46 HB3 TYR 7 HB1 TYR 7 64.911 4.105 40.610 47 HD1 TYR 7 HD2 TYR 7 63.840 4.548 42.874 48 HD2 TYR 7 HD1 TYR 7 64.304 0.561 41.299 49 HE1 TYR 7 HE2 TYR 7 63.509 3.608 45.132 50 HE2 TYR 7 HE1 TYR 7 63.969 -0.363 43.557 51 HH TYR 7 HH TYR 7 63.706 1.737 46.392 52 HA PRO 8 HA PRO 8 62.669 3.935 35.717 53 HB2 PRO 8 HB2 PRO 8 65.600 4.210 35.280 54 HB3 PRO 8 HB1 PRO 8 64.260 5.144 34.597 55 HG2 PRO 8 HG2 PRO 8 65.867 6.141 36.419 56 HG3 PRO 8 HG1 PRO 8 64.136 6.507 36.415 57 HD2 PRO 8 HD2 PRO 8 65.652 4.590 38.165 58 HD3 PRO 8 HD1 PRO 8 64.369 5.740 38.594 59 H ASP 9 HN ASP 9 64.362 2.842 33.871 60 HA ASP 9 HA ASP 9 65.129 0.117 34.717 61 HB2 ASP 9 HB2 ASP 9 62.983 0.758 32.691 62 HB3 ASP 9 HB1 ASP 9 63.787 -0.809 32.795 63 HA PRO 10 HA PRO 10 67.936 2.187 31.483 64 HB2 PRO 10 HB2 PRO 10 70.007 0.662 32.953 65 HB3 PRO 10 HB1 PRO 10 70.007 2.361 32.446 66 HG2 PRO 10 HG2 PRO 10 69.709 1.616 34.996 67 HG3 PRO 10 HG1 PRO 10 68.935 3.060 34.327 68 HD2 PRO 10 HD2 PRO 10 67.734 0.422 35.023 69 HD3 PRO 10 HD1 PRO 10 67.023 2.046 35.085 70 H LEU 11 HN LEU 11 67.663 -1.014 32.824 71 HA LEU 11 HA LEU 11 69.082 -2.499 30.897 72 HB2 LEU 11 HB2 LEU 11 66.700 -3.241 32.610 73 HB3 LEU 11 HB1 LEU 11 67.587 -4.408 31.651 74 HG LEU 11 HG LEU 11 68.836 -2.664 33.832 75 HD11 LEU 11 HD11 LEU 11 67.661 -5.439 34.005 76 HD12 LEU 11 HD12 LEU 11 67.333 -4.034 35.019 77 HD13 LEU 11 HD13 LEU 11 68.881 -4.865 35.138 78 HD21 LEU 11 HD21 LEU 11 69.968 -4.855 32.099 79 HD22 LEU 11 HD22 LEU 11 70.472 -4.781 33.779 80 HD23 LEU 11 HD23 LEU 11 70.731 -3.397 32.727 81 H GLU 12 HN GLU 12 65.722 -1.484 31.034 82 HA GLU 12 HA GLU 12 63.974 -1.561 29.558 83 HB2 GLU 12 HB2 GLU 12 66.220 -1.171 27.563 84 HB3 GLU 12 HB1 GLU 12 64.516 -0.888 27.253 85 HG2 GLU 12 HG2 GLU 12 64.552 0.856 29.092 86 HG3 GLU 12 HG1 GLU 12 66.291 0.605 29.198 87 HA PRO 13 HA PRO 13 64.895 -6.152 28.582 88 HB2 PRO 13 HB2 PRO 13 62.084 -6.314 29.558 89 HB3 PRO 13 HB1 PRO 13 63.456 -7.388 29.884 90 HG2 PRO 13 HG2 PRO 13 62.572 -5.681 31.713 91 HG3 PRO 13 HG1 PRO 13 64.298 -6.035 31.530 92 HD2 PRO 13 HD2 PRO 13 62.779 -3.594 30.720 93 HD3 PRO 13 HD1 PRO 13 64.453 -3.762 31.288 94 H ARG 14 HN ARG 14 62.025 -4.148 28.001 95 HA ARG 14 HA ARG 14 60.910 -5.664 25.898 96 HB2 ARG 14 HB2 ARG 14 60.771 -2.708 26.539 97 HB3 ARG 14 HB1 ARG 14 59.828 -3.456 25.256 98 HG2 ARG 14 HG2 ARG 14 58.674 -4.907 26.865 99 HG3 ARG 14 HG1 ARG 14 59.704 -4.329 28.172 100 HD2 ARG 14 HD2 ARG 14 57.492 -3.256 28.236 101 HD3 ARG 14 HD1 ARG 14 58.742 -2.060 27.926 102 HE ARG 14 HE ARG 14 57.710 -3.030 25.462 103 HH11 ARG 14 HH21 ARG 14 56.848 -1.122 28.216 104 HH12 ARG 14 HH22 ARG 14 55.754 -0.105 27.339 105 HH21 ARG 14 HH11 ARG 14 56.281 -1.703 24.308 106 HH22 ARG 14 HH12 ARG 14 55.434 -0.433 25.126 107 H GLY 15 HN GLY 15 63.299 -3.052 25.915 108 HA2 GLY 15 HA2 GLY 15 64.803 -2.365 24.313 109 HA3 GLY 15 HA1 GLY 15 64.584 -3.945 23.567 110 H GLY 16 HN GLY 16 63.953 -3.813 21.530 111 HA2 GLY 16 HA2 GLY 16 62.728 -3.227 19.664 112 HA3 GLY 16 HA1 GLY 16 61.648 -2.317 20.715 113 H LYS 17 HN LYS 17 65.005 -1.634 20.970 114 HA LYS 17 HA LYS 17 64.630 1.082 20.213 115 HB2 LYS 17 HB2 LYS 17 67.170 -0.557 20.488 116 HB3 LYS 17 HB1 LYS 17 67.113 1.198 20.348 117 HG2 LYS 17 HG2 LYS 17 65.826 1.358 22.453 118 HG3 LYS 17 HG1 LYS 17 65.803 -0.396 22.590 119 HD2 LYS 17 HD2 LYS 17 68.280 -0.409 22.774 120 HD3 LYS 17 HD1 LYS 17 68.289 1.349 22.660 121 HE2 LYS 17 HE2 LYS 17 66.979 1.494 24.742 122 HE3 LYS 17 HE1 LYS 17 66.948 -0.266 24.856 123 HZ1 LYS 17 HZ1 LYS 17 68.930 -0.227 25.798 124 HZ2 LYS 17 HZ2 LYS 17 68.924 1.471 25.760 125 HZ3 LYS 17 HZ3 LYS 17 69.597 0.594 24.471 126 H HIS 18 HN HIS 18 66.305 -1.642 18.672 127 HA HIS 18 HA HIS 18 67.082 -0.386 16.385 128 HB2 HIS 18 HB2 HIS 18 67.161 -3.005 17.259 129 HB3 HIS 18 HB1 HIS 18 66.163 -3.117 15.823 130 HD2 HIS 18 HD2 HIS 18 68.098 -0.771 14.139 131 HE1 HIS 18 HE1 HIS 18 70.985 -3.802 14.548 132 H ILE 19 HN ILE 19 63.878 -1.314 17.142 133 HA ILE 19 HA ILE 19 62.918 -0.673 14.396 134 HB ILE 19 HB ILE 19 61.741 -2.466 16.537 135 HG12 ILE 19 HG12 ILE 19 62.149 -3.217 13.651 136 HG13 ILE 19 HG11 ILE 19 63.556 -3.191 14.703 137 HG21 ILE 19 HG21 ILE 19 59.747 -1.521 15.740 138 HG22 ILE 19 HG22 ILE 19 59.963 -2.830 14.594 139 HG23 ILE 19 HG23 ILE 19 60.401 -1.196 14.132 140 HD11 ILE 19 HD11 ILE 19 61.037 -4.717 15.417 141 HD12 ILE 19 HD12 ILE 19 62.643 -4.876 16.134 142 HD13 ILE 19 HD13 ILE 19 62.353 -5.430 14.488 143 H CYS 20 HN CYS 20 62.247 1.329 14.297 144 HA CYS 20 HA CYS 20 61.403 2.812 16.626 145 HB2 CYS 20 HB2 CYS 20 62.480 3.984 14.818 146 HB3 CYS 20 HB1 CYS 20 61.281 3.431 13.676 147 H ALA 21 HN ALA 21 59.261 3.519 17.089 148 HA ALA 21 HA ALA 21 57.205 1.570 16.490 149 HB1 ALA 21 HB1 ALA 21 57.490 2.620 18.724 150 HB2 ALA 21 HB2 ALA 21 55.868 2.832 18.065 151 HB3 ALA 21 HB3 ALA 21 57.021 4.167 18.021 152 H ILE 22 HN ILE 22 58.276 4.402 15.058 153 HA ILE 22 HA ILE 22 55.724 4.960 13.664 154 HB ILE 22 HB ILE 22 58.024 6.784 14.427 155 HG12 ILE 22 HG12 ILE 22 55.124 7.348 14.987 156 HG13 ILE 22 HG11 ILE 22 55.926 6.159 15.992 157 HG21 ILE 22 HG21 ILE 22 57.504 7.746 12.344 158 HG22 ILE 22 HG22 ILE 22 56.359 8.574 13.370 159 HG23 ILE 22 HG23 ILE 22 55.825 7.215 12.394 160 HD11 ILE 22 HD11 ILE 22 57.516 7.753 16.795 161 HD12 ILE 22 HD12 ILE 22 55.948 8.552 16.860 162 HD13 ILE 22 HD13 ILE 22 57.068 8.929 15.554 163 H CYS 23 HN CYS 23 59.054 5.921 12.912 164 HA CYS 23 HA CYS 23 58.801 5.581 10.172 165 HB2 CYS 23 HB2 CYS 23 61.449 5.368 11.495 166 HB3 CYS 23 HB1 CYS 23 60.994 6.279 10.059 167 H GLY 24 HN GLY 24 59.296 3.240 12.571 168 HA2 GLY 24 HA2 GLY 24 59.279 0.944 12.280 169 HA3 GLY 24 HA1 GLY 24 59.599 1.151 10.581 170 H ASN 25 HN ASN 25 62.062 2.980 11.321 171 HA ASN 25 HA ASN 25 63.842 1.242 12.726 172 HB2 ASN 25 HB2 ASN 25 65.257 0.640 10.746 173 HB3 ASN 25 HB1 ASN 25 63.695 -0.116 10.713 174 HD21 ASN 25 HD21 ASN 25 64.503 -0.163 8.281 175 HD22 ASN 25 HD22 ASN 25 63.980 1.138 7.325 176 H ASN 26 HN ASN 26 63.122 4.247 12.222 177 HA ASN 26 HA ASN 26 65.868 5.294 11.636 178 HB2 ASN 26 HB2 ASN 26 63.368 6.914 11.949 179 HB3 ASN 26 HB1 ASN 26 64.934 7.475 11.439 180 HD21 ASN 26 HD21 ASN 26 64.850 7.899 9.257 181 HD22 ASN 26 HD22 ASN 26 64.181 6.863 8.091 182 H ALA 27 HN ALA 27 64.643 4.018 14.056 183 HA ALA 27 HA ALA 27 64.648 5.865 16.207 184 HB1 ALA 27 HB1 ALA 27 63.815 3.929 17.055 185 HB2 ALA 27 HB2 ALA 27 65.507 3.587 17.413 186 HB3 ALA 27 HB3 ALA 27 64.760 2.929 15.948 187 H GLU 28 HN GLU 28 67.095 3.503 15.296 188 HA GLU 28 HA GLU 28 69.321 3.523 16.354 189 HB2 GLU 28 HB2 GLU 28 69.336 4.817 13.607 190 HB3 GLU 28 HB1 GLU 28 70.671 3.953 14.355 191 HG2 GLU 28 HG2 GLU 28 68.370 2.223 14.372 192 HG3 GLU 28 HG1 GLU 28 68.533 2.921 12.766 193 H ASP 29 HN ASP 29 69.120 6.582 14.555 194 HA ASP 29 HA ASP 29 69.927 8.159 16.871 195 HB2 ASP 29 HB2 ASP 29 71.816 7.658 14.564 196 HB3 ASP 29 HB1 ASP 29 71.938 9.093 15.574 197 H TYR 30 HN TYR 30 69.573 8.123 13.334 198 HA TYR 30 HA TYR 30 69.039 10.926 13.138 199 HB2 TYR 30 HB2 TYR 30 68.595 8.632 11.219 200 HB3 TYR 30 HB1 TYR 30 68.363 10.320 10.808 201 HD1 TYR 30 HD1 TYR 30 70.884 7.740 11.708 202 HD2 TYR 30 HD2 TYR 30 70.300 11.860 10.577 203 HE1 TYR 30 HE1 TYR 30 73.296 7.965 11.247 204 HE2 TYR 30 HE2 TYR 30 72.714 12.069 10.117 205 HH TYR 30 HH TYR 30 74.881 10.754 11.056 206 H LYS 31 HN LYS 31 67.368 11.019 14.823 207 HA LYS 31 HA LYS 31 64.775 9.842 14.276 208 HB2 LYS 31 HB2 LYS 31 65.776 11.717 16.448 209 HB3 LYS 31 HB1 LYS 31 64.133 11.100 16.385 210 HG2 LYS 31 HG2 LYS 31 64.958 8.779 16.592 211 HG3 LYS 31 HG1 LYS 31 66.620 9.357 16.573 212 HD2 LYS 31 HD2 LYS 31 66.252 10.555 18.703 213 HD3 LYS 31 HD1 LYS 31 64.558 10.077 18.704 214 HE2 LYS 31 HE2 LYS 31 66.867 8.098 18.779 215 HE3 LYS 31 HE1 LYS 31 66.009 8.681 20.199 216 HZ1 LYS 31 HZ1 LYS 31 65.070 6.911 18.067 217 HZ2 LYS 31 HZ2 LYS 31 63.939 7.932 18.817 218 HZ3 LYS 31 HZ3 LYS 31 64.824 6.814 19.742 219 H HIS 32 HN HIS 32 65.682 11.461 12.198 220 HA HIS 32 HA HIS 32 64.424 14.076 12.374 221 HB2 HIS 32 HB2 HIS 32 65.803 12.590 10.143 222 HB3 HIS 32 HB1 HIS 32 65.092 14.195 9.952 223 HD2 HIS 32 HD2 HIS 32 66.592 16.292 11.082 224 HE1 HIS 32 HE1 HIS 32 69.628 13.889 12.768 225 HE2 HIS 32 HE2 HIS 32 68.905 16.281 12.298 226 H THR 33 HN THR 33 63.710 10.928 10.994 227 HA THR 33 HA THR 33 61.412 11.850 9.492 228 HB THR 33 HB THR 33 61.029 9.317 9.285 229 HG1 THR 33 HG1 THR 33 62.224 8.194 10.561 230 HG21 THR 33 HG21 THR 33 61.997 10.404 7.413 231 HG22 THR 33 HG22 THR 33 63.135 9.119 7.794 232 HG23 THR 33 HG23 THR 33 63.484 10.772 8.288 233 H ASP 34 HN ASP 34 61.986 11.214 12.752 234 HA ASP 34 HA ASP 34 59.521 9.974 13.468 235 HB2 ASP 34 HB2 ASP 34 61.571 11.569 14.974 236 HB3 ASP 34 HB1 ASP 34 60.048 11.147 15.743 237 H MET 35 HN MET 35 60.289 13.124 12.447 238 HA MET 35 HA MET 35 58.046 14.485 13.695 239 HB2 MET 35 HB2 MET 35 60.079 15.271 11.604 240 HB3 MET 35 HB1 MET 35 58.735 16.319 12.045 241 HG2 MET 35 HG2 MET 35 60.530 15.197 14.190 242 HG3 MET 35 HG1 MET 35 61.045 16.599 13.264 243 HE1 MET 35 HE1 MET 35 58.892 19.461 14.320 244 HE2 MET 35 HE2 MET 35 59.520 18.678 12.875 245 HE3 MET 35 HE3 MET 35 60.589 18.973 14.245 246 H ASP 36 HN ASP 36 56.095 14.931 12.798 247 HA ASP 36 HA ASP 36 55.248 13.365 10.517 248 HB2 ASP 36 HB2 ASP 36 53.780 13.614 12.443 249 HB3 ASP 36 HB1 ASP 36 53.755 15.363 12.233 250 H LEU 37 HN LEU 37 56.284 14.159 8.730 251 HA LEU 37 HA LEU 37 55.592 16.897 7.787 252 HB2 LEU 37 HB2 LEU 37 58.001 15.144 7.291 253 HB3 LEU 37 HB1 LEU 37 57.633 16.530 6.278 254 HG LEU 37 HG LEU 37 57.743 16.978 9.256 255 HD11 LEU 37 HD11 LEU 37 60.176 16.532 7.497 256 HD12 LEU 37 HD12 LEU 37 59.791 15.741 9.030 257 HD13 LEU 37 HD13 LEU 37 60.233 17.443 9.002 258 HD21 LEU 37 HD21 LEU 37 58.930 18.664 7.031 259 HD22 LEU 37 HD22 LEU 37 58.484 19.168 8.656 260 HD23 LEU 37 HD23 LEU 37 57.231 18.803 7.480 261 H THR 38 HN THR 38 54.087 16.861 6.268 262 HA THR 38 HA THR 38 53.358 14.465 4.859 263 HB THR 38 HB THR 38 51.892 16.103 3.553 264 HG1 THR 38 HG1 THR 38 52.126 18.137 3.946 265 HG21 THR 38 HG21 THR 38 51.749 15.719 6.541 266 HG22 THR 38 HG22 THR 38 50.810 14.922 5.282 267 HG23 THR 38 HG23 THR 38 50.497 16.611 5.678 268 H TYR 39 HN TYR 39 55.459 17.159 4.259 269 HA TYR 39 HA TYR 39 55.607 17.078 1.455 270 HB2 TYR 39 HB2 TYR 39 57.736 17.826 3.471 271 HB3 TYR 39 HB1 TYR 39 57.819 18.165 1.754 272 HD1 TYR 39 HD2 TYR 39 56.029 18.972 4.913 273 HD2 TYR 39 HD1 TYR 39 56.383 19.915 0.721 274 HE1 TYR 39 HE2 TYR 39 54.684 21.006 5.248 275 HE2 TYR 39 HE1 TYR 39 55.034 21.946 1.073 276 HH TYR 39 HH TYR 39 54.608 23.461 3.616 277 H THR 40 HN THR 40 57.508 15.350 3.923 278 HA THR 40 HA THR 40 59.159 13.980 2.006 279 HB THR 40 HB THR 40 59.777 12.565 4.022 280 HG1 THR 40 HG1 THR 40 58.166 12.657 5.400 281 HG21 THR 40 HG21 THR 40 61.208 14.417 3.570 282 HG22 THR 40 HG22 THR 40 60.806 14.541 5.280 283 HG23 THR 40 HG23 THR 40 60.003 15.585 4.110 284 H ASP 41 HN ASP 41 57.460 13.150 0.606 285 HA ASP 41 HA ASP 41 55.590 11.183 1.558 286 HB2 ASP 41 HB2 ASP 41 56.526 11.833 -1.251 287 HB3 ASP 41 HB1 ASP 41 55.164 10.789 -0.850 288 H ARG 42 HN ARG 42 55.700 8.981 1.463 289 HA ARG 42 HA ARG 42 58.299 7.775 1.550 290 HB2 ARG 42 HB2 ARG 42 55.522 6.565 1.474 291 HB3 ARG 42 HB1 ARG 42 56.992 5.637 1.730 292 HG2 ARG 42 HG2 ARG 42 57.471 6.877 3.807 293 HG3 ARG 42 HG1 ARG 42 56.080 7.917 3.537 294 HD2 ARG 42 HD2 ARG 42 55.532 6.190 5.190 295 HD3 ARG 42 HD1 ARG 42 54.575 5.958 3.748 296 HE ARG 42 HE ARG 42 55.653 3.944 3.375 297 HH11 ARG 42 HH21 ARG 42 57.441 5.800 5.679 298 HH12 ARG 42 HH22 ARG 42 58.510 4.500 6.085 299 HH21 ARG 42 HH11 ARG 42 57.036 2.248 3.902 300 HH22 ARG 42 HH12 ARG 42 58.283 2.492 5.080 301 H ASP 43 HN ASP 43 59.317 6.470 0.063 302 HA ASP 43 HA ASP 43 58.718 6.909 -2.691 303 HB2 ASP 43 HB2 ASP 43 61.001 6.400 -1.595 304 HB3 ASP 43 HB1 ASP 43 60.502 4.715 -1.661 305 H TYR 44 HN TYR 44 57.532 5.756 -4.064 306 HA TYR 44 HA TYR 44 55.730 3.768 -3.166 307 HB2 TYR 44 HB2 TYR 44 56.568 4.575 -5.957 308 HB3 TYR 44 HB1 TYR 44 55.251 3.474 -5.609 309 HD1 TYR 44 HD2 TYR 44 56.423 6.993 -5.278 310 HD2 TYR 44 HD1 TYR 44 53.118 4.294 -4.629 311 HE1 TYR 44 HE2 TYR 44 54.915 8.911 -4.894 312 HE2 TYR 44 HE1 TYR 44 51.633 6.219 -4.246 313 HH TYR 44 HH TYR 44 51.798 8.882 -5.114 314 H LYS 45 HN LYS 45 58.725 3.577 -5.072 315 HA LYS 45 HA LYS 45 58.622 0.793 -5.556 316 HB2 LYS 45 HB2 LYS 45 60.980 2.692 -5.395 317 HB3 LYS 45 HB1 LYS 45 61.097 1.027 -5.956 318 HG2 LYS 45 HG2 LYS 45 59.540 1.507 -7.815 319 HG3 LYS 45 HG1 LYS 45 59.328 3.155 -7.234 320 HD2 LYS 45 HD2 LYS 45 61.736 3.618 -7.661 321 HD3 LYS 45 HD1 LYS 45 61.958 1.961 -8.214 322 HE2 LYS 45 HE2 LYS 45 60.392 2.367 -10.085 323 HE3 LYS 45 HE1 LYS 45 60.138 4.020 -9.520 324 HZ1 LYS 45 HZ1 LYS 45 61.883 3.548 -11.335 325 HZ2 LYS 45 HZ2 LYS 45 62.863 3.047 -10.041 326 HZ3 LYS 45 HZ3 LYS 45 62.259 4.635 -10.088 327 H ASN 46 HN ASN 46 60.159 2.691 -2.993 328 HA ASN 46 HA ASN 46 61.051 2.129 -0.965 329 HB2 ASN 46 HB2 ASN 46 58.612 1.372 -0.765 330 HB3 ASN 46 HB1 ASN 46 59.212 -0.266 -0.993 331 HD21 ASN 46 HD21 ASN 46 59.770 -1.321 0.907 332 HD22 ASN 46 HD22 ASN 46 60.200 -0.551 2.358 333 H CYS 47 HN CYS 47 62.510 1.223 -3.192 334 HA CYS 47 HA CYS 47 63.327 -1.511 -2.868 335 HB2 CYS 47 HB2 CYS 47 63.628 -0.604 -5.029 336 HB3 CYS 47 HB1 CYS 47 64.431 0.836 -4.402 337 HG CYS 47 HG CYS 47 65.912 -1.537 -5.248 338 H GLU 48 HN GLU 48 64.839 -2.345 -1.574 339 HA GLU 48 HA GLU 48 65.994 -0.809 0.525 340 HB2 GLU 48 HB2 GLU 48 66.594 -3.605 -0.478 341 HB3 GLU 48 HB1 GLU 48 67.296 -2.915 0.983 342 HG2 GLU 48 HG2 GLU 48 65.057 -2.685 1.988 343 HG3 GLU 48 HG1 GLU 48 64.310 -3.266 0.502 344 H SER 49 HN SER 49 68.033 -0.014 0.804 345 HA SER 49 HA SER 49 69.510 0.749 -1.477 346 HB2 SER 49 HB2 SER 49 69.577 2.004 0.638 347 HB3 SER 49 HB1 SER 49 70.400 0.657 1.415 348 HG SER 49 HG SER 49 71.512 1.528 -0.957 349 H TYR 50 HN TYR 50 70.007 -1.853 0.906 350 HA TYR 50 HA TYR 50 71.538 -3.401 -1.006 351 HB2 TYR 50 HB2 TYR 50 72.870 -1.737 0.949 352 HB3 TYR 50 HB1 TYR 50 73.215 -3.421 1.266 353 HD1 TYR 50 HD1 TYR 50 74.096 -4.905 -0.622 354 HD2 TYR 50 HD2 TYR 50 73.883 -0.614 -0.999 355 HE1 TYR 50 HE1 TYR 50 75.698 -4.984 -2.496 356 HE2 TYR 50 HE2 TYR 50 75.482 -0.709 -2.872 357 HH TYR 50 HH TYR 50 76.598 -3.796 -4.199 358 H HIS 51 HN HIS 51 72.321 -5.481 0.135 359 HA HIS 51 HA HIS 51 70.359 -6.426 2.167 360 HB2 HIS 51 HB2 HIS 51 71.275 -8.011 -0.234 361 HB3 HIS 51 HB1 HIS 51 70.017 -8.443 0.926 362 HD2 HIS 51 HD2 HIS 51 67.492 -7.441 0.300 363 HE1 HIS 51 HE1 HIS 51 68.684 -4.845 -2.808 364 HE2 HIS 51 HE2 HIS 51 66.686 -5.817 -1.578 365 H LYS 52 HN LYS 52 73.177 -5.584 2.482 366 HA LYS 52 HA LYS 52 74.874 -7.856 2.627 367 HB2 LYS 52 HB2 LYS 52 74.901 -5.274 4.211 368 HB3 LYS 52 HB1 LYS 52 76.199 -6.463 4.239 369 HG2 LYS 52 HG2 LYS 52 76.591 -6.148 1.823 370 HG3 LYS 52 HG1 LYS 52 75.236 -5.031 1.733 371 HD2 LYS 52 HD2 LYS 52 76.412 -3.459 3.247 372 HD3 LYS 52 HD1 LYS 52 77.760 -4.583 3.378 373 HE2 LYS 52 HE2 LYS 52 78.206 -4.335 0.961 374 HE3 LYS 52 HE1 LYS 52 76.831 -3.238 0.813 375 HZ1 LYS 52 HZ1 LYS 52 78.012 -1.564 1.630 376 HZ2 LYS 52 HZ2 LYS 52 79.391 -2.530 1.404 377 HZ3 LYS 52 HZ3 LYS 52 78.616 -2.488 2.916 378 H CYS 53 HN CYS 53 72.898 -6.260 5.125 379 HA CYS 53 HA CYS 53 72.307 -8.709 6.471 380 HB2 CYS 53 HB2 CYS 53 74.706 -7.250 7.309 381 HB3 CYS 53 HB1 CYS 53 73.547 -7.479 8.616 382 HG CYS 53 HG CYS 53 75.332 -9.609 7.771 383 H SER 54 HN SER 54 71.080 -8.305 8.505 384 HA SER 54 HA SER 54 69.104 -7.484 9.302 385 HB2 SER 54 HB2 SER 54 71.030 -5.231 9.751 386 HB3 SER 54 HB1 SER 54 69.502 -5.444 10.588 387 HG SER 54 HG SER 54 70.350 -7.013 11.730 388 H ASP 55 HN ASP 55 68.271 -7.389 7.048 389 HA ASP 55 HA ASP 55 68.139 -5.102 5.479 390 HB2 ASP 55 HB2 ASP 55 65.892 -7.089 5.841 391 HB3 ASP 55 HB1 ASP 55 66.196 -6.074 4.435 392 H LEU 56 HN LEU 56 66.464 -5.871 8.422 393 HA LEU 56 HA LEU 56 64.313 -4.056 8.246 394 HB2 LEU 56 HB2 LEU 56 65.873 -5.022 10.665 395 HB3 LEU 56 HB1 LEU 56 64.349 -4.160 10.757 396 HG LEU 56 HG LEU 56 64.747 -6.845 9.351 397 HD11 LEU 56 HD11 LEU 56 65.119 -7.370 11.592 398 HD12 LEU 56 HD12 LEU 56 63.407 -7.717 11.366 399 HD13 LEU 56 HD13 LEU 56 63.903 -6.236 12.178 400 HD21 LEU 56 HD21 LEU 56 62.740 -6.126 8.430 401 HD22 LEU 56 HD22 LEU 56 62.285 -5.165 9.832 402 HD23 LEU 56 HD23 LEU 56 62.148 -6.915 9.884 403 H CYS 57 HN CYS 57 67.582 -3.783 9.627 404 HA CYS 57 HA CYS 57 67.251 -0.868 10.005 405 HB2 CYS 57 HB2 CYS 57 68.137 -2.029 11.832 406 HB3 CYS 57 HB1 CYS 57 69.322 -2.859 10.878 407 H GLN 58 HN GLN 58 67.651 0.312 8.260 408 HA GLN 58 HA GLN 58 69.124 -0.598 6.015 409 HB2 GLN 58 HB2 GLN 58 68.664 2.326 6.527 410 HB3 GLN 58 HB1 GLN 58 68.604 1.439 5.007 411 HG2 GLN 58 HG2 GLN 58 66.566 0.203 6.084 412 HG3 GLN 58 HG1 GLN 58 66.537 1.575 7.200 413 HE21 GLN 58 HE21 GLN 58 64.823 0.611 4.737 414 HE22 GLN 58 HE22 GLN 58 64.608 2.046 3.856 415 H TYR 59 HN TYR 59 69.979 1.440 8.756 416 HA TYR 59 HA TYR 59 72.456 2.350 7.695 417 HB2 TYR 59 HB2 TYR 59 70.860 2.768 10.035 418 HB3 TYR 59 HB1 TYR 59 72.544 2.546 10.480 419 HD1 TYR 59 HD1 TYR 59 70.234 4.512 8.301 420 HD2 TYR 59 HD2 TYR 59 74.225 4.258 9.916 421 HE1 TYR 59 HE1 TYR 59 70.721 6.791 7.483 422 HE2 TYR 59 HE2 TYR 59 74.694 6.534 9.096 423 HH TYR 59 HH TYR 59 72.380 8.281 7.072 424 H CYS 60 HN CYS 60 71.543 -0.513 9.496 425 HA CYS 60 HA CYS 60 74.027 -1.164 10.610 426 HB2 CYS 60 HB2 CYS 60 71.587 -2.626 9.871 427 HB3 CYS 60 HB1 CYS 60 73.037 -3.585 10.043 428 H ARG 61 HN ARG 61 72.764 -1.354 7.410 429 HA ARG 61 HA ARG 61 74.401 -3.318 6.272 430 HB2 ARG 61 HB2 ARG 61 73.296 -0.817 4.981 431 HB3 ARG 61 HB1 ARG 61 73.866 -2.237 4.126 432 HG2 ARG 61 HG2 ARG 61 72.089 -3.626 5.088 433 HG3 ARG 61 HG1 ARG 61 71.530 -2.301 6.095 434 HD2 ARG 61 HD2 ARG 61 70.949 -1.009 4.073 435 HD3 ARG 61 HD1 ARG 61 71.464 -2.364 3.070 436 HE ARG 61 HE ARG 61 69.621 -3.423 4.837 437 HH11 ARG 61 HH21 ARG 61 69.688 -0.908 2.470 438 HH12 ARG 61 HH22 ARG 61 68.001 -1.023 2.097 439 HH21 ARG 61 HH11 ARG 61 67.408 -3.574 4.370 440 HH22 ARG 61 HH12 ARG 61 66.708 -2.536 3.175 441 H TYR 62 HN TYR 62 74.942 0.132 6.780 442 HA TYR 62 HA TYR 62 77.536 0.112 5.436 443 HB2 TYR 62 HB2 TYR 62 75.984 2.273 6.856 444 HB3 TYR 62 HB1 TYR 62 77.550 2.518 6.107 445 HD1 TYR 62 HD1 TYR 62 73.972 1.740 5.451 446 HD2 TYR 62 HD2 TYR 62 77.811 2.499 3.634 447 HE1 TYR 62 HE1 TYR 62 72.887 2.026 3.253 448 HE2 TYR 62 HE2 TYR 62 76.711 2.778 1.448 449 HH TYR 62 HH TYR 62 74.568 2.007 0.351 450 H GLN 63 HN GLN 63 76.292 0.873 8.671 451 HA GLN 63 HA GLN 63 78.816 -0.034 9.932 452 HB2 GLN 63 HB2 GLN 63 77.338 2.538 10.598 453 HB3 GLN 63 HB1 GLN 63 78.700 1.884 11.494 454 HG2 GLN 63 HG2 GLN 63 80.120 2.127 9.437 455 HG3 GLN 63 HG1 GLN 63 78.745 2.863 8.618 456 HE21 GLN 63 HE21 GLN 63 79.123 5.079 8.525 457 HE22 GLN 63 HE22 GLN 63 79.692 6.017 9.819 458 H LYS 64 HN LYS 64 78.282 -1.630 11.215 459 HA LYS 64 HA LYS 64 75.734 -2.363 12.083 460 HB2 LYS 64 HB2 LYS 64 78.361 -2.893 13.469 461 HB3 LYS 64 HB1 LYS 64 76.871 -3.747 13.801 462 HG2 LYS 64 HG2 LYS 64 78.349 -3.755 11.131 463 HG3 LYS 64 HG1 LYS 64 78.452 -5.023 12.336 464 HD2 LYS 64 HD2 LYS 64 75.825 -5.187 12.020 465 HD3 LYS 64 HD1 LYS 64 76.131 -4.315 10.529 466 HE2 LYS 64 HE2 LYS 64 77.907 -6.102 10.020 467 HE3 LYS 64 HE1 LYS 64 77.160 -7.037 11.320 468 HZ1 LYS 64 HZ1 LYS 64 75.627 -7.668 9.888 469 HZ2 LYS 64 HZ2 LYS 64 76.281 -6.678 8.673 470 HZ3 LYS 64 HZ3 LYS 64 75.110 -6.061 9.736 471 H ASP 65 HN ASP 65 74.411 -1.871 13.628 472 HA ASP 65 HA ASP 65 75.234 0.016 15.776 473 HB2 ASP 65 HB2 ASP 65 72.416 0.047 15.026 474 HB3 ASP 65 HB1 ASP 65 73.479 1.369 15.402 475 H LEU 66 HN LEU 66 74.790 -3.105 15.568 476 HA LEU 66 HA LEU 66 72.520 -3.744 17.077 477 HB2 LEU 66 HB2 LEU 66 75.181 -5.161 16.884 478 HB3 LEU 66 HB1 LEU 66 73.767 -5.868 17.636 479 HG LEU 66 HG LEU 66 73.404 -4.832 14.832 480 HD11 LEU 66 HD11 LEU 66 74.206 -7.050 13.934 481 HD12 LEU 66 HD12 LEU 66 74.974 -7.339 15.493 482 HD13 LEU 66 HD13 LEU 66 75.494 -5.983 14.487 483 HD21 LEU 66 HD21 LEU 66 72.526 -7.473 16.032 484 HD22 LEU 66 HD22 LEU 66 71.874 -6.650 14.620 485 HD23 LEU 66 HD23 LEU 66 71.584 -5.992 16.225 486 H ALA 67 HN ALA 67 74.893 -1.750 18.223 487 HA ALA 67 HA ALA 67 75.399 -2.784 20.809 488 HB1 ALA 67 HB1 ALA 67 76.887 -1.120 20.647 489 HB2 ALA 67 HB2 ALA 67 75.561 0.012 20.921 490 HB3 ALA 67 HB3 ALA 67 76.027 -0.419 19.277 491 H ILE 68 HN ILE 68 72.976 -0.487 19.515 492 HA ILE 68 HA ILE 68 71.924 0.207 22.009 493 HB ILE 68 HB ILE 68 69.736 0.652 20.609 494 HG12 ILE 68 HG12 ILE 68 71.647 0.821 18.301 495 HG13 ILE 68 HG11 ILE 68 70.905 -0.733 18.617 496 HG21 ILE 68 HG21 ILE 68 71.003 2.519 21.388 497 HG22 ILE 68 HG22 ILE 68 70.883 2.753 19.648 498 HG23 ILE 68 HG23 ILE 68 72.371 2.122 20.341 499 HD11 ILE 68 HD11 ILE 68 69.655 0.746 16.973 500 HD12 ILE 68 HD12 ILE 68 69.283 1.806 18.326 501 HD13 ILE 68 HD13 ILE 68 68.696 0.145 18.321 502 H HIS 69 HN HIS 69 70.223 -2.022 19.754 503 HA HIS 69 HA HIS 69 68.681 -3.131 21.926 504 HB2 HIS 69 HB2 HIS 69 67.596 -3.084 19.837 505 HB3 HIS 69 HB1 HIS 69 68.973 -3.807 19.006 506 HD2 HIS 69 HD2 HIS 69 66.610 -5.079 21.979 507 HE1 HIS 69 HE1 HIS 69 67.449 -8.282 19.361 508 HE2 HIS 69 HE2 HIS 69 66.201 -7.606 21.467 509 H HIS 70 HN HIS 70 69.206 -4.786 23.207 510 HA HIS 70 HA HIS 70 71.761 -6.066 23.027 511 HB2 HIS 70 HB2 HIS 70 69.339 -6.597 24.759 512 HB3 HIS 70 HB1 HIS 70 70.885 -7.426 24.945 513 HD2 HIS 70 HD2 HIS 70 72.793 -5.981 26.375 514 HE1 HIS 70 HE1 HIS 70 70.723 -2.307 26.504 515 HE2 HIS 70 HE2 HIS 70 72.776 -3.555 27.328 516 H GLN 71 HN GLN 71 72.316 -7.990 22.161 517 HA GLN 71 HA GLN 71 70.530 -9.306 20.362 518 HB2 GLN 71 HB2 GLN 71 73.161 -9.140 20.350 519 HB3 GLN 71 HB1 GLN 71 73.073 -10.563 21.381 520 HG2 GLN 71 HG2 GLN 71 71.622 -11.643 19.577 521 HG3 GLN 71 HG1 GLN 71 72.036 -10.278 18.541 522 HE21 GLN 71 HE21 GLN 71 73.787 -10.668 17.225 523 HE22 GLN 71 HE22 GLN 71 75.068 -11.721 17.588 524 H HIS 72 HN HIS 72 69.284 -11.084 20.648 525 HA HIS 72 HA HIS 72 68.662 -11.947 23.299 526 HB2 HIS 72 HB2 HIS 72 67.887 -13.137 20.623 527 HB3 HIS 72 HB1 HIS 72 67.165 -13.559 22.176 528 HD2 HIS 72 HD2 HIS 72 66.764 -10.892 19.431 529 HE1 HIS 72 HE1 HIS 72 64.602 -9.490 22.774 530 HE2 HIS 72 HE2 HIS 72 65.060 -9.117 20.305 531 H HIS 73 HN HIS 73 69.437 -13.605 24.454 532 HA HIS 73 HA HIS 73 71.792 -14.971 23.648 533 HB2 HIS 73 HB2 HIS 73 69.878 -15.355 25.950 534 HB3 HIS 73 HB1 HIS 73 71.314 -16.356 25.733 535 HD2 HIS 73 HD2 HIS 73 73.748 -15.085 26.357 536 HE1 HIS 73 HE1 HIS 73 72.100 -11.335 27.373 537 HE2 HIS 73 HE2 HIS 73 74.226 -12.723 27.363 538 H HIS 74 HN HIS 74 68.386 -15.883 23.799 539 HA HIS 74 HA HIS 74 68.794 -18.038 21.874 540 HB2 HIS 74 HB2 HIS 74 68.071 -18.501 24.747 541 HB3 HIS 74 HB1 HIS 74 67.373 -19.534 23.498 542 HD2 HIS 74 HD2 HIS 74 70.749 -19.055 25.344 543 HE1 HIS 74 HE1 HIS 74 71.409 -21.846 22.246 544 HE2 HIS 74 HE2 HIS 74 72.419 -20.783 24.316 545 H GLY 75 HN GLY 75 66.930 -18.607 20.781 546 HA2 GLY 75 HA2 GLY 75 64.914 -16.610 20.612 547 HA3 GLY 75 HA1 GLY 75 64.891 -18.173 19.801 548 H GLY 76 HN GLY 76 62.605 -16.943 20.926 549 HA2 GLY 76 HA2 GLY 76 61.996 -17.944 23.520 550 HA3 GLY 76 HA1 GLY 76 60.832 -17.350 22.341 551 H SER 77 HN SER 77 60.654 -19.675 24.113 552 HA SER 77 HA SER 77 61.069 -22.104 22.753 553 HB2 SER 77 HB2 SER 77 58.993 -21.390 24.836 554 HB3 SER 77 HB1 SER 77 59.401 -23.028 24.334 555 HG SER 77 HG SER 77 61.067 -22.926 25.599 556 H MET 78 HN MET 78 58.326 -19.867 22.793 557 HA MET 78 HA MET 78 56.523 -21.478 21.326 558 HB2 MET 78 HB2 MET 78 56.766 -18.485 21.709 559 HB3 MET 78 HB1 MET 78 55.484 -19.204 20.740 560 HG2 MET 78 HG2 MET 78 54.592 -20.389 22.640 561 HG3 MET 78 HG1 MET 78 56.016 -20.021 23.609 562 HE1 MET 78 HE1 MET 78 52.420 -17.348 22.679 563 HE2 MET 78 HE2 MET 78 52.386 -19.061 23.079 564 HE3 MET 78 HE3 MET 78 53.097 -18.532 21.556 565 H GLY 79 HN GLY 79 58.962 -19.115 20.337 566 HA2 GLY 79 HA2 GLY 79 58.322 -19.137 17.565 567 HA3 GLY 79 HA1 GLY 79 59.840 -18.588 18.271 568 H MET 80 HN MET 80 59.348 -20.211 15.854 569 HA MET 80 HA MET 80 60.026 -22.921 16.318 570 HB2 MET 80 HB2 MET 80 60.277 -21.112 13.908 571 HB3 MET 80 HB1 MET 80 60.782 -22.798 13.866 572 HG2 MET 80 HG2 MET 80 58.548 -23.573 14.318 573 HG3 MET 80 HG1 MET 80 58.003 -21.942 14.723 574 HE1 MET 80 HE1 MET 80 56.134 -23.009 13.209 575 HE2 MET 80 HE2 MET 80 56.971 -24.274 12.309 576 HE3 MET 80 HE3 MET 80 56.152 -22.978 11.440 577 H SER 81 HN SER 81 61.970 -20.031 15.698 578 HA SER 81 HA SER 81 64.468 -21.395 15.505 579 HB2 SER 81 HB2 SER 81 63.683 -18.530 15.993 580 HB3 SER 81 HB1 SER 81 65.367 -19.042 16.043 581 HG SER 81 HG SER 81 64.241 -18.333 13.939 582 H GLY 82 HN GLY 82 66.101 -21.633 17.042 583 HA2 GLY 82 HA2 GLY 82 66.186 -20.668 19.637 584 HA3 GLY 82 HA1 GLY 82 65.238 -22.151 19.711 585 H SER 83 HN SER 83 66.788 -23.293 17.419 586 HA SER 83 HA SER 83 68.779 -24.638 18.950 587 HB2 SER 83 HB2 SER 83 68.581 -24.572 15.937 588 HB3 SER 83 HB1 SER 83 69.279 -25.837 16.946 589 HG SER 83 HG SER 83 66.745 -25.512 16.154 590 H GLY 84 HN GLY 84 70.985 -24.434 18.964 591 HA2 GLY 84 HA2 GLY 84 72.094 -21.863 18.544 592 HA3 GLY 84 HA1 GLY 84 73.002 -23.328 18.902 593 H THR 85 HN THR 85 72.072 -24.811 16.619 594 HA THR 85 HA THR 85 73.984 -23.927 14.678 595 HB THR 85 HB THR 85 72.973 -25.834 13.317 596 HG1 THR 85 HG1 THR 85 71.186 -26.614 14.023 597 HG21 THR 85 HG21 THR 85 74.153 -26.201 16.072 598 HG22 THR 85 HG22 THR 85 74.940 -26.370 14.504 599 HG23 THR 85 HG23 THR 85 73.781 -27.583 15.044 600 H GLY 86 HN GLY 86 70.653 -23.303 15.222 601 HA2 GLY 86 HA2 GLY 86 69.730 -22.843 12.605 602 HA3 GLY 86 HA1 GLY 86 69.075 -22.100 14.060 603 H TYR 87 HN TYR 87 71.390 -20.707 14.905 604 HA TYR 87 HA TYR 87 71.174 -18.352 13.318 605 HB2 TYR 87 HB2 TYR 87 73.107 -19.112 15.517 606 HB3 TYR 87 HB1 TYR 87 73.030 -17.519 14.791 607 HD1 TYR 87 HD2 TYR 87 71.224 -19.958 16.937 608 HD2 TYR 87 HD1 TYR 87 71.065 -16.027 15.165 609 HE1 TYR 87 HE2 TYR 87 69.348 -19.354 18.420 610 HE2 TYR 87 HE1 TYR 87 69.190 -15.440 16.656 611 HH TYR 87 HH TYR 87 68.237 -17.465 19.309 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 27.129 -13.920 15.916 2 H2 MET 1 HT2 MET 1 27.573 -12.971 14.580 3 H3 MET 1 HT3 MET 1 26.462 -12.374 15.718 4 HA MET 1 HA MET 1 28.296 -11.301 16.470 5 HB2 MET 1 HB2 MET 1 28.348 -14.076 17.676 6 HB3 MET 1 HB1 MET 1 29.429 -12.795 18.222 7 HG2 MET 1 HG2 MET 1 27.656 -11.479 19.046 8 HG3 MET 1 HG1 MET 1 26.462 -12.294 18.049 9 HE1 MET 1 HE1 MET 1 29.231 -14.309 20.348 10 HE2 MET 1 HE2 MET 1 28.424 -13.984 21.877 11 HE3 MET 1 HE3 MET 1 29.006 -12.643 20.900 12 H GLY 2 HN GLY 2 29.497 -14.608 15.878 13 HA2 GLY 2 HA2 GLY 2 31.270 -15.367 14.603 14 HA3 GLY 2 HA1 GLY 2 31.437 -13.751 13.930 15 H ALA 3 HN ALA 3 31.351 -13.998 17.349 16 HA ALA 3 HA ALA 3 32.858 -13.470 18.989 17 HB1 ALA 3 HB1 ALA 3 33.522 -15.774 18.579 18 HB2 ALA 3 HB2 ALA 3 34.921 -14.791 19.001 19 HB3 ALA 3 HB3 ALA 3 34.652 -15.262 17.327 20 HA PRO 4 HA PRO 4 34.953 -10.152 16.300 21 HB2 PRO 4 HB2 PRO 4 34.082 -8.407 18.528 22 HB3 PRO 4 HB1 PRO 4 33.924 -8.164 16.781 23 HG2 PRO 4 HG2 PRO 4 31.840 -8.768 18.364 24 HG3 PRO 4 HG1 PRO 4 31.944 -9.274 16.670 25 HD2 PRO 4 HD2 PRO 4 32.290 -10.897 19.145 26 HD3 PRO 4 HD1 PRO 4 31.693 -11.373 17.542 27 H VAL 5 HN VAL 5 37.002 -9.391 16.655 28 HA VAL 5 HA VAL 5 38.237 -9.577 19.340 29 HB VAL 5 HB VAL 5 40.299 -10.440 17.974 30 HG11 VAL 5 HG11 VAL 5 39.402 -11.867 19.631 31 HG12 VAL 5 HG12 VAL 5 39.398 -12.820 18.151 32 HG13 VAL 5 HG13 VAL 5 37.902 -12.103 18.732 33 HG21 VAL 5 HG21 VAL 5 39.897 -11.576 15.958 34 HG22 VAL 5 HG22 VAL 5 38.922 -10.126 15.758 35 HG23 VAL 5 HG23 VAL 5 38.159 -11.646 16.228 36 HA PRO 6 HA PRO 6 39.032 -5.424 17.162 37 HB2 PRO 6 HB2 PRO 6 39.140 -4.497 19.977 38 HB3 PRO 6 HB1 PRO 6 38.294 -3.793 18.593 39 HG2 PRO 6 HG2 PRO 6 37.019 -5.079 20.559 40 HG3 PRO 6 HG1 PRO 6 36.454 -5.095 18.882 41 HD2 PRO 6 HD2 PRO 6 37.786 -7.249 20.447 42 HD3 PRO 6 HD1 PRO 6 36.606 -7.366 19.125 43 H TYR 7 HN TYR 7 40.417 -6.905 20.036 44 HA TYR 7 HA TYR 7 42.535 -7.096 20.871 45 HB2 TYR 7 HB2 TYR 7 42.730 -8.376 18.758 46 HB3 TYR 7 HB1 TYR 7 43.318 -6.949 17.944 47 HD1 TYR 7 HD1 TYR 7 44.010 -9.239 20.825 48 HD2 TYR 7 HD2 TYR 7 45.717 -6.402 18.062 49 HE1 TYR 7 HE1 TYR 7 46.278 -9.792 21.638 50 HE2 TYR 7 HE2 TYR 7 47.962 -6.958 18.881 51 HH TYR 7 HH TYR 7 49.164 -8.469 20.087 52 HA PRO 8 HA PRO 8 43.570 -2.552 20.379 53 HB2 PRO 8 HB2 PRO 8 42.911 -1.603 22.820 54 HB3 PRO 8 HB1 PRO 8 41.706 -1.832 21.541 55 HG2 PRO 8 HG2 PRO 8 42.243 -3.469 23.945 56 HG3 PRO 8 HG1 PRO 8 40.717 -3.139 23.113 57 HD2 PRO 8 HD2 PRO 8 42.262 -5.472 22.862 58 HD3 PRO 8 HD1 PRO 8 40.934 -4.983 21.796 59 H ASP 9 HN ASP 9 44.716 -5.114 21.960 60 HA ASP 9 HA ASP 9 46.621 -5.693 23.108 61 HB2 ASP 9 HB2 ASP 9 47.577 -4.827 21.015 62 HB3 ASP 9 HB1 ASP 9 47.724 -3.229 21.731 63 HA PRO 10 HA PRO 10 45.702 -2.442 26.486 64 HB2 PRO 10 HB2 PRO 10 45.732 -4.857 28.193 65 HB3 PRO 10 HB1 PRO 10 44.557 -3.533 28.136 66 HG2 PRO 10 HG2 PRO 10 44.058 -5.990 27.179 67 HG3 PRO 10 HG1 PRO 10 43.320 -4.525 26.518 68 HD2 PRO 10 HD2 PRO 10 45.451 -6.247 25.379 69 HD3 PRO 10 HD1 PRO 10 44.259 -5.216 24.560 70 H LEU 11 HN LEU 11 47.865 -5.138 26.156 71 HA LEU 11 HA LEU 11 49.586 -4.695 28.326 72 HB2 LEU 11 HB2 LEU 11 50.092 -5.868 25.589 73 HB3 LEU 11 HB1 LEU 11 51.310 -5.883 26.850 74 HG LEU 11 HG LEU 11 48.517 -7.091 27.146 75 HD11 LEU 11 HD11 LEU 11 49.797 -9.310 26.926 76 HD12 LEU 11 HD12 LEU 11 51.074 -8.359 26.174 77 HD13 LEU 11 HD13 LEU 11 49.466 -8.407 25.450 78 HD21 LEU 11 HD21 LEU 11 50.177 -8.538 28.810 79 HD22 LEU 11 HD22 LEU 11 49.120 -7.235 29.334 80 HD23 LEU 11 HD23 LEU 11 50.816 -6.911 29.017 81 H GLU 12 HN GLU 12 49.671 -3.359 25.062 82 HA GLU 12 HA GLU 12 50.915 -1.687 24.078 83 HB2 GLU 12 HB2 GLU 12 50.651 -0.517 26.856 84 HB3 GLU 12 HB1 GLU 12 51.106 0.377 25.415 85 HG2 GLU 12 HG2 GLU 12 48.900 -0.174 24.395 86 HG3 GLU 12 HG1 GLU 12 48.455 -1.027 25.869 87 HA PRO 13 HA PRO 13 54.909 -3.042 26.198 88 HB2 PRO 13 HB2 PRO 13 56.029 -4.503 24.201 89 HB3 PRO 13 HB1 PRO 13 54.911 -5.197 25.391 90 HG2 PRO 13 HG2 PRO 13 54.402 -4.340 22.589 91 HG3 PRO 13 HG1 PRO 13 53.796 -5.755 23.467 92 HD2 PRO 13 HD2 PRO 13 52.321 -3.493 23.056 93 HD3 PRO 13 HD1 PRO 13 52.067 -4.580 24.436 94 H ARG 14 HN ARG 14 56.998 -2.199 25.833 95 HA ARG 14 HA ARG 14 57.087 0.173 24.240 96 HB2 ARG 14 HB2 ARG 14 59.244 -1.343 25.738 97 HB3 ARG 14 HB1 ARG 14 59.502 0.216 24.964 98 HG2 ARG 14 HG2 ARG 14 57.793 1.255 26.424 99 HG3 ARG 14 HG1 ARG 14 57.456 -0.301 27.168 100 HD2 ARG 14 HD2 ARG 14 59.752 -0.392 28.062 101 HD3 ARG 14 HD1 ARG 14 60.137 1.142 27.301 102 HE ARG 14 HE ARG 14 58.668 0.722 29.749 103 HH11 ARG 14 HH21 ARG 14 59.089 2.854 27.059 104 HH12 ARG 14 HH22 ARG 14 58.500 4.246 27.905 105 HH21 ARG 14 HH11 ARG 14 57.905 2.528 30.856 106 HH22 ARG 14 HH12 ARG 14 57.829 4.061 30.053 107 H GLY 15 HN GLY 15 58.090 0.570 22.320 108 HA2 GLY 15 HA2 GLY 15 58.389 -1.592 20.499 109 HA3 GLY 15 HA1 GLY 15 58.813 0.087 20.186 110 H GLY 16 HN GLY 16 60.341 -2.092 19.261 111 HA2 GLY 16 HA2 GLY 16 62.551 -2.703 20.938 112 HA3 GLY 16 HA1 GLY 16 62.508 -2.878 19.185 113 H LYS 17 HN LYS 17 64.738 -1.970 20.692 114 HA LYS 17 HA LYS 17 64.914 0.916 20.498 115 HB2 LYS 17 HB2 LYS 17 67.108 -1.143 20.758 116 HB3 LYS 17 HB1 LYS 17 67.289 0.590 20.957 117 HG2 LYS 17 HG2 LYS 17 65.772 0.587 22.882 118 HG3 LYS 17 HG1 LYS 17 65.465 -1.132 22.671 119 HD2 LYS 17 HD2 LYS 17 67.841 -1.620 23.142 120 HD3 LYS 17 HD1 LYS 17 68.157 0.095 23.361 121 HE2 LYS 17 HE2 LYS 17 66.573 0.127 25.271 122 HE3 LYS 17 HE1 LYS 17 66.265 -1.595 25.034 123 HZ1 LYS 17 HZ1 LYS 17 68.475 -0.297 26.302 124 HZ2 LYS 17 HZ2 LYS 17 68.974 -1.421 25.130 125 HZ3 LYS 17 HZ3 LYS 17 67.962 -1.910 26.405 126 H HIS 18 HN HIS 18 66.167 -1.832 18.636 127 HA HIS 18 HA HIS 18 67.392 -0.286 16.658 128 HB2 HIS 18 HB2 HIS 18 67.306 -2.940 17.091 129 HB3 HIS 18 HB1 HIS 18 66.178 -2.852 15.768 130 HD2 HIS 18 HD2 HIS 18 67.961 -0.462 14.108 131 HE1 HIS 18 HE1 HIS 18 70.875 -3.490 14.048 132 H ILE 19 HN ILE 19 64.115 -1.769 16.543 133 HA ILE 19 HA ILE 19 63.448 -0.137 14.190 134 HB ILE 19 HB ILE 19 61.777 -2.418 15.271 135 HG12 ILE 19 HG12 ILE 19 63.060 -3.539 13.129 136 HG13 ILE 19 HG11 ILE 19 64.374 -2.602 13.808 137 HG21 ILE 19 HG21 ILE 19 62.032 -1.231 12.483 138 HG22 ILE 19 HG22 ILE 19 60.658 -1.085 13.584 139 HG23 ILE 19 HG23 ILE 19 61.082 -2.647 12.910 140 HD11 ILE 19 HD11 ILE 19 62.774 -4.819 15.117 141 HD12 ILE 19 HD12 ILE 19 63.765 -3.721 16.079 142 HD13 ILE 19 HD13 ILE 19 64.510 -4.739 14.854 143 H CYS 20 HN CYS 20 62.231 1.540 14.383 144 HA CYS 20 HA CYS 20 60.837 2.149 16.870 145 HB2 CYS 20 HB2 CYS 20 61.846 4.031 16.000 146 HB3 CYS 20 HB1 CYS 20 61.467 3.629 14.350 147 H ALA 21 HN ALA 21 58.586 2.234 17.072 148 HA ALA 21 HA ALA 21 57.148 0.308 15.604 149 HB1 ALA 21 HB1 ALA 21 55.936 2.482 17.290 150 HB2 ALA 21 HB2 ALA 21 56.749 1.078 17.983 151 HB3 ALA 21 HB3 ALA 21 55.307 0.861 16.990 152 H ILE 22 HN ILE 22 57.824 3.511 14.821 153 HA ILE 22 HA ILE 22 55.530 3.758 12.991 154 HB ILE 22 HB ILE 22 57.157 5.915 14.373 155 HG12 ILE 22 HG12 ILE 22 54.155 5.682 14.514 156 HG13 ILE 22 HG11 ILE 22 55.096 4.589 15.505 157 HG21 ILE 22 HG21 ILE 22 56.654 7.005 12.336 158 HG22 ILE 22 HG22 ILE 22 55.230 7.389 13.268 159 HG23 ILE 22 HG23 ILE 22 55.169 6.099 12.083 160 HD11 ILE 22 HD11 ILE 22 56.107 6.389 16.717 161 HD12 ILE 22 HD12 ILE 22 54.390 6.769 16.616 162 HD13 ILE 22 HD13 ILE 22 55.533 7.586 15.553 163 H CYS 23 HN CYS 23 58.733 5.304 13.183 164 HA CYS 23 HA CYS 23 58.989 5.423 10.318 165 HB2 CYS 23 HB2 CYS 23 61.302 5.924 12.107 166 HB3 CYS 23 HB1 CYS 23 60.748 6.830 10.707 167 H GLY 24 HN GLY 24 60.172 3.334 12.815 168 HA2 GLY 24 HA2 GLY 24 61.164 1.247 12.597 169 HA3 GLY 24 HA1 GLY 24 61.265 1.467 10.872 170 H ASN 25 HN ASN 25 62.539 4.221 11.897 171 HA ASN 25 HA ASN 25 65.240 3.238 12.607 172 HB2 ASN 25 HB2 ASN 25 64.684 4.769 10.056 173 HB3 ASN 25 HB1 ASN 25 66.299 4.475 10.683 174 HD21 ASN 25 HD21 ASN 25 64.365 3.370 8.329 175 HD22 ASN 25 HD22 ASN 25 64.801 1.729 8.317 176 H ASN 26 HN ASN 26 63.124 5.317 13.693 177 HA ASN 26 HA ASN 26 64.816 7.728 13.829 178 HB2 ASN 26 HB2 ASN 26 62.951 8.778 14.422 179 HB3 ASN 26 HB1 ASN 26 62.125 7.271 14.138 180 HD21 ASN 26 HD21 ASN 26 61.483 5.983 15.986 181 HD22 ASN 26 HD22 ASN 26 61.582 6.573 17.570 182 H ALA 27 HN ALA 27 63.809 5.078 15.858 183 HA ALA 27 HA ALA 27 64.845 5.898 18.287 184 HB1 ALA 27 HB1 ALA 27 63.354 4.026 18.114 185 HB2 ALA 27 HB2 ALA 27 64.863 3.462 18.822 186 HB3 ALA 27 HB3 ALA 27 64.503 3.136 17.117 187 H GLU 28 HN GLU 28 66.402 4.433 15.508 188 HA GLU 28 HA GLU 28 68.964 4.130 16.776 189 HB2 GLU 28 HB2 GLU 28 68.233 2.578 15.038 190 HB3 GLU 28 HB1 GLU 28 67.991 3.901 13.910 191 HG2 GLU 28 HG2 GLU 28 70.327 4.282 13.680 192 HG3 GLU 28 HG1 GLU 28 70.716 3.321 15.103 193 H ASP 29 HN ASP 29 67.373 6.362 14.507 194 HA ASP 29 HA ASP 29 69.712 8.165 14.505 195 HB2 ASP 29 HB2 ASP 29 68.729 7.147 12.361 196 HB3 ASP 29 HB1 ASP 29 67.406 8.279 12.552 197 H TYR 30 HN TYR 30 67.634 10.219 13.297 198 HA TYR 30 HA TYR 30 67.380 11.814 15.631 199 HB2 TYR 30 HB2 TYR 30 65.821 12.217 13.085 200 HB3 TYR 30 HB1 TYR 30 66.369 13.433 14.223 201 HD1 TYR 30 HD2 TYR 30 68.907 13.700 14.611 202 HD2 TYR 30 HD1 TYR 30 67.277 11.646 11.192 203 HE1 TYR 30 HE2 TYR 30 71.047 13.983 13.409 204 HE2 TYR 30 HE1 TYR 30 69.413 11.930 10.006 205 HH TYR 30 HH TYR 30 71.371 13.372 10.051 206 H LYS 31 HN LYS 31 64.904 12.984 15.567 207 HA LYS 31 HA LYS 31 62.890 10.870 16.027 208 HB2 LYS 31 HB2 LYS 31 63.303 13.114 18.000 209 HB3 LYS 31 HB1 LYS 31 62.295 11.684 18.170 210 HG2 LYS 31 HG2 LYS 31 64.453 10.304 18.075 211 HG3 LYS 31 HG1 LYS 31 65.333 11.820 18.199 212 HD2 LYS 31 HD2 LYS 31 64.174 12.310 20.353 213 HD3 LYS 31 HD1 LYS 31 63.363 10.750 20.265 214 HE2 LYS 31 HE2 LYS 31 65.578 9.610 20.290 215 HE3 LYS 31 HE1 LYS 31 66.365 11.180 20.460 216 HZ1 LYS 31 HZ1 LYS 31 64.759 9.688 22.386 217 HZ2 LYS 31 HZ2 LYS 31 64.659 11.383 22.423 218 HZ3 LYS 31 HZ3 LYS 31 66.159 10.612 22.626 219 H HIS 32 HN HIS 32 63.376 12.952 13.978 220 HA HIS 32 HA HIS 32 61.056 14.741 14.330 221 HB2 HIS 32 HB2 HIS 32 63.279 14.640 12.292 222 HB3 HIS 32 HB1 HIS 32 61.920 15.764 12.210 223 HD2 HIS 32 HD2 HIS 32 62.060 17.924 14.020 224 HE1 HIS 32 HE1 HIS 32 65.638 16.738 15.926 225 HE2 HIS 32 HE2 HIS 32 63.920 18.600 15.728 226 H THR 33 HN THR 33 61.880 11.775 12.874 227 HA THR 33 HA THR 33 60.028 11.923 10.655 228 HB THR 33 HB THR 33 60.487 9.422 10.586 229 HG1 THR 33 HG1 THR 33 61.641 8.604 12.121 230 HG21 THR 33 HG21 THR 33 61.705 10.703 9.042 231 HG22 THR 33 HG22 THR 33 62.962 9.851 9.936 232 HG23 THR 33 HG23 THR 33 62.611 11.538 10.303 233 H ASP 34 HN ASP 34 59.811 11.232 14.022 234 HA ASP 34 HA ASP 34 57.609 9.402 13.936 235 HB2 ASP 34 HB2 ASP 34 58.612 11.272 16.082 236 HB3 ASP 34 HB1 ASP 34 57.233 10.201 16.319 237 H MET 35 HN MET 35 57.848 12.759 13.370 238 HA MET 35 HA MET 35 55.263 13.598 14.176 239 HB2 MET 35 HB2 MET 35 57.240 14.667 12.154 240 HB3 MET 35 HB1 MET 35 55.684 15.440 12.433 241 HG2 MET 35 HG2 MET 35 57.497 14.842 14.765 242 HG3 MET 35 HG1 MET 35 57.790 16.261 13.773 243 HE1 MET 35 HE1 MET 35 56.812 18.541 14.564 244 HE2 MET 35 HE2 MET 35 55.060 18.691 14.494 245 HE3 MET 35 HE3 MET 35 55.922 17.966 13.144 246 H ASP 36 HN ASP 36 56.536 12.346 11.124 247 HA ASP 36 HA ASP 36 53.958 12.505 9.769 248 HB2 ASP 36 HB2 ASP 36 56.640 11.385 8.925 249 HB3 ASP 36 HB1 ASP 36 55.218 11.469 7.888 250 H LEU 37 HN LEU 37 52.448 11.039 10.174 251 HA LEU 37 HA LEU 37 53.007 8.437 11.274 252 HB2 LEU 37 HB2 LEU 37 50.446 9.382 9.958 253 HB3 LEU 37 HB1 LEU 37 50.610 8.042 11.079 254 HG LEU 37 HG LEU 37 50.981 11.010 11.732 255 HD11 LEU 37 HD11 LEU 37 48.619 10.364 11.478 256 HD12 LEU 37 HD12 LEU 37 49.004 10.748 13.150 257 HD13 LEU 37 HD13 LEU 37 48.845 9.068 12.655 258 HD21 LEU 37 HD21 LEU 37 52.441 10.023 13.279 259 HD22 LEU 37 HD22 LEU 37 51.478 8.553 13.421 260 HD23 LEU 37 HD23 LEU 37 50.921 10.046 14.166 261 H THR 38 HN THR 38 52.786 6.453 10.305 262 HA THR 38 HA THR 38 52.572 6.279 7.358 263 HB THR 38 HB THR 38 54.551 4.932 7.172 264 HG1 THR 38 HG1 THR 38 55.212 3.865 8.828 265 HG21 THR 38 HG21 THR 38 54.859 7.486 7.390 266 HG22 THR 38 HG22 THR 38 56.283 6.487 7.651 267 HG23 THR 38 HG23 THR 38 55.419 7.158 9.030 268 H TYR 39 HN TYR 39 52.276 4.078 6.611 269 HA TYR 39 HA TYR 39 50.319 2.689 8.197 270 HB2 TYR 39 HB2 TYR 39 51.615 2.059 5.539 271 HB3 TYR 39 HB1 TYR 39 50.346 1.087 6.256 272 HD1 TYR 39 HD2 TYR 39 51.149 4.422 4.816 273 HD2 TYR 39 HD1 TYR 39 48.008 1.917 6.378 274 HE1 TYR 39 HE2 TYR 39 49.459 5.987 3.947 275 HE2 TYR 39 HE1 TYR 39 46.328 3.493 5.504 276 HH TYR 39 HH TYR 39 46.527 6.255 4.919 277 H THR 40 HN THR 40 50.473 0.274 8.479 278 HA THR 40 HA THR 40 52.658 -0.383 10.136 279 HB THR 40 HB THR 40 50.889 -2.420 8.760 280 HG1 THR 40 HG1 THR 40 49.512 -0.850 9.486 281 HG21 THR 40 HG21 THR 40 52.765 -3.105 10.418 282 HG22 THR 40 HG22 THR 40 51.146 -3.699 10.753 283 HG23 THR 40 HG23 THR 40 51.779 -2.325 11.654 284 H ASP 41 HN ASP 41 51.872 -1.297 6.785 285 HA ASP 41 HA ASP 41 54.325 -2.794 6.418 286 HB2 ASP 41 HB2 ASP 41 52.242 -3.414 5.253 287 HB3 ASP 41 HB1 ASP 41 52.271 -1.882 4.386 288 H ARG 42 HN ARG 42 56.138 -1.583 6.526 289 HA ARG 42 HA ARG 42 56.341 1.088 5.465 290 HB2 ARG 42 HB2 ARG 42 58.435 -0.885 6.423 291 HB3 ARG 42 HB1 ARG 42 58.790 0.771 5.947 292 HG2 ARG 42 HG2 ARG 42 57.351 1.649 7.745 293 HG3 ARG 42 HG1 ARG 42 56.862 0.018 8.183 294 HD2 ARG 42 HD2 ARG 42 59.222 -0.496 8.828 295 HD3 ARG 42 HD1 ARG 42 59.682 1.130 8.358 296 HE ARG 42 HE ARG 42 58.809 1.930 10.336 297 HH11 ARG 42 HH21 ARG 42 57.591 -1.253 9.746 298 HH12 ARG 42 HH22 ARG 42 56.866 -1.402 11.311 299 HH21 ARG 42 HH11 ARG 42 57.874 1.736 12.378 300 HH22 ARG 42 HH12 ARG 42 57.025 0.286 12.798 301 H ASP 43 HN ASP 43 57.087 1.751 3.529 302 HA ASP 43 HA ASP 43 57.289 -0.176 1.378 303 HB2 ASP 43 HB2 ASP 43 57.617 2.831 1.455 304 HB3 ASP 43 HB1 ASP 43 57.650 1.863 -0.016 305 H TYR 44 HN TYR 44 59.090 -1.321 1.167 306 HA TYR 44 HA TYR 44 61.694 -0.355 1.991 307 HB2 TYR 44 HB2 TYR 44 60.839 -2.863 0.534 308 HB3 TYR 44 HB1 TYR 44 62.465 -2.544 1.101 309 HD1 TYR 44 HD1 TYR 44 62.993 -2.506 3.544 310 HD2 TYR 44 HD2 TYR 44 58.990 -3.317 2.153 311 HE1 TYR 44 HE1 TYR 44 62.372 -3.326 5.783 312 HE2 TYR 44 HE2 TYR 44 58.385 -4.134 4.402 313 HH TYR 44 HH TYR 44 60.452 -3.696 7.141 314 H LYS 45 HN LYS 45 63.306 0.407 0.711 315 HA LYS 45 HA LYS 45 62.668 1.383 -1.907 316 HB2 LYS 45 HB2 LYS 45 65.306 1.189 -0.420 317 HB3 LYS 45 HB1 LYS 45 65.101 2.014 -1.962 318 HG2 LYS 45 HG2 LYS 45 63.489 3.590 -0.939 319 HG3 LYS 45 HG1 LYS 45 63.613 2.739 0.599 320 HD2 LYS 45 HD2 LYS 45 66.017 3.358 0.753 321 HD3 LYS 45 HD1 LYS 45 65.909 4.181 -0.800 322 HE2 LYS 45 HE2 LYS 45 64.277 5.778 0.156 323 HE3 LYS 45 HE1 LYS 45 64.359 4.941 1.707 324 HZ1 LYS 45 HZ1 LYS 45 66.535 6.391 0.319 325 HZ2 LYS 45 HZ2 LYS 45 66.794 5.387 1.664 326 HZ3 LYS 45 HZ3 LYS 45 65.821 6.772 1.809 327 H ASN 46 HN ASN 46 63.024 0.488 -3.854 328 HA ASN 46 HA ASN 46 63.571 -2.271 -4.089 329 HB2 ASN 46 HB2 ASN 46 63.399 -0.016 -6.074 330 HB3 ASN 46 HB1 ASN 46 63.824 -1.649 -6.581 331 HD21 ASN 46 HD21 ASN 46 61.187 0.412 -6.009 332 HD22 ASN 46 HD22 ASN 46 59.972 -0.770 -5.910 333 H CYS 47 HN CYS 47 65.596 0.588 -4.661 334 HA CYS 47 HA CYS 47 67.870 -0.916 -5.575 335 HB2 CYS 47 HB2 CYS 47 67.597 1.380 -6.289 336 HB3 CYS 47 HB1 CYS 47 67.588 1.942 -4.619 337 HG CYS 47 HG CYS 47 70.047 1.755 -6.139 338 H GLU 48 HN GLU 48 68.162 -2.487 -3.928 339 HA GLU 48 HA GLU 48 68.706 -1.716 -1.198 340 HB2 GLU 48 HB2 GLU 48 67.762 -3.984 -2.160 341 HB3 GLU 48 HB1 GLU 48 69.464 -4.380 -2.379 342 HG2 GLU 48 HG2 GLU 48 69.812 -3.831 0.078 343 HG3 GLU 48 HG1 GLU 48 68.062 -3.694 0.231 344 H SER 49 HN SER 49 70.597 -0.994 -0.441 345 HA SER 49 HA SER 49 72.873 -0.682 -2.106 346 HB2 SER 49 HB2 SER 49 72.179 0.715 -0.066 347 HB3 SER 49 HB1 SER 49 72.927 -0.553 0.903 348 HG SER 49 HG SER 49 74.679 -0.101 -0.899 349 H TYR 50 HN TYR 50 72.190 -2.875 0.614 350 HA TYR 50 HA TYR 50 74.040 -4.872 -0.427 351 HB2 TYR 50 HB2 TYR 50 74.478 -3.446 2.201 352 HB3 TYR 50 HB1 TYR 50 75.120 -5.046 1.901 353 HD1 TYR 50 HD2 TYR 50 76.724 -5.431 -0.032 354 HD2 TYR 50 HD1 TYR 50 75.549 -1.460 1.175 355 HE1 TYR 50 HE2 TYR 50 78.624 -4.473 -1.290 356 HE2 TYR 50 HE1 TYR 50 77.446 -0.521 -0.086 357 HH TYR 50 HH TYR 50 79.160 -2.211 -2.380 358 H HIS 51 HN HIS 51 73.817 -6.905 0.558 359 HA HIS 51 HA HIS 51 71.214 -7.374 1.913 360 HB2 HIS 51 HB2 HIS 51 72.757 -9.541 0.571 361 HB3 HIS 51 HB1 HIS 51 71.013 -9.337 0.735 362 HD2 HIS 51 HD2 HIS 51 73.920 -8.140 -1.626 363 HE1 HIS 51 HE1 HIS 51 70.261 -6.865 -3.300 364 HE2 HIS 51 HE2 HIS 51 72.761 -7.051 -3.694 365 H LYS 52 HN LYS 52 74.333 -6.992 2.683 366 HA LYS 52 HA LYS 52 75.038 -9.327 4.093 367 HB2 LYS 52 HB2 LYS 52 75.846 -6.444 4.538 368 HB3 LYS 52 HB1 LYS 52 76.581 -7.808 5.373 369 HG2 LYS 52 HG2 LYS 52 77.321 -8.762 3.203 370 HG3 LYS 52 HG1 LYS 52 76.550 -7.425 2.352 371 HD2 LYS 52 HD2 LYS 52 78.095 -5.824 3.471 372 HD3 LYS 52 HD1 LYS 52 78.850 -7.156 4.341 373 HE2 LYS 52 HE2 LYS 52 79.588 -8.140 2.187 374 HE3 LYS 52 HE1 LYS 52 78.828 -6.803 1.323 375 HZ1 LYS 52 HZ1 LYS 52 81.339 -6.896 2.644 376 HZ2 LYS 52 HZ2 LYS 52 80.383 -5.632 3.255 377 HZ3 LYS 52 HZ3 LYS 52 80.721 -5.719 1.592 378 H CYS 53 HN CYS 53 73.012 -6.602 5.000 379 HA CYS 53 HA CYS 53 72.747 -7.617 7.771 380 HB2 CYS 53 HB2 CYS 53 71.861 -5.010 6.547 381 HB3 CYS 53 HB1 CYS 53 71.791 -5.448 8.258 382 HG CYS 53 HG CYS 53 74.111 -4.592 8.369 383 H SER 54 HN SER 54 70.563 -7.444 8.712 384 HA SER 54 HA SER 54 68.741 -9.119 7.415 385 HB2 SER 54 HB2 SER 54 67.220 -8.612 9.209 386 HB3 SER 54 HB1 SER 54 68.850 -8.693 9.864 387 HG SER 54 HG SER 54 68.926 -6.442 9.820 388 H ASP 55 HN ASP 55 69.294 -5.828 6.880 389 HA ASP 55 HA ASP 55 68.436 -4.324 5.413 390 HB2 ASP 55 HB2 ASP 55 67.749 -6.537 4.150 391 HB3 ASP 55 HB1 ASP 55 66.128 -6.051 4.646 392 H LEU 56 HN LEU 56 66.780 -5.558 8.053 393 HA LEU 56 HA LEU 56 64.340 -4.131 7.941 394 HB2 LEU 56 HB2 LEU 56 66.038 -4.913 10.335 395 HB3 LEU 56 HB1 LEU 56 64.384 -4.343 10.442 396 HG LEU 56 HG LEU 56 65.264 -6.860 8.943 397 HD11 LEU 56 HD11 LEU 56 64.112 -8.058 10.873 398 HD12 LEU 56 HD12 LEU 56 64.220 -6.540 11.758 399 HD13 LEU 56 HD13 LEU 56 65.688 -7.349 11.208 400 HD21 LEU 56 HD21 LEU 56 63.176 -6.463 8.006 401 HD22 LEU 56 HD22 LEU 56 62.540 -5.657 9.438 402 HD23 LEU 56 HD23 LEU 56 62.716 -7.405 9.416 403 H CYS 57 HN CYS 57 67.505 -3.394 9.375 404 HA CYS 57 HA CYS 57 66.782 -0.586 9.815 405 HB2 CYS 57 HB2 CYS 57 67.798 -1.536 11.654 406 HB3 CYS 57 HB1 CYS 57 68.966 -2.433 10.724 407 H GLN 58 HN GLN 58 67.383 0.949 8.414 408 HA GLN 58 HA GLN 58 68.617 0.247 5.943 409 HB2 GLN 58 HB2 GLN 58 68.209 2.517 5.284 410 HB3 GLN 58 HB1 GLN 58 66.822 1.943 6.201 411 HG2 GLN 58 HG2 GLN 58 68.021 3.060 8.258 412 HG3 GLN 58 HG1 GLN 58 68.952 3.926 7.041 413 HE21 GLN 58 HE21 GLN 58 67.092 5.192 8.869 414 HE22 GLN 58 HE22 GLN 58 65.855 5.875 7.928 415 H TYR 59 HN TYR 59 69.776 2.018 8.755 416 HA TYR 59 HA TYR 59 72.208 2.900 7.524 417 HB2 TYR 59 HB2 TYR 59 70.789 3.410 9.890 418 HB3 TYR 59 HB1 TYR 59 72.385 2.876 10.377 419 HD1 TYR 59 HD2 TYR 59 70.469 5.475 8.542 420 HD2 TYR 59 HD1 TYR 59 74.417 4.164 9.680 421 HE1 TYR 59 HE2 TYR 59 71.393 7.671 7.906 422 HE2 TYR 59 HE1 TYR 59 75.323 6.367 9.041 423 HH TYR 59 HH TYR 59 74.325 8.304 7.201 424 H CYS 60 HN CYS 60 71.268 0.020 9.241 425 HA CYS 60 HA CYS 60 73.787 -0.835 10.115 426 HB2 CYS 60 HB2 CYS 60 71.189 -2.106 9.524 427 HB3 CYS 60 HB1 CYS 60 72.579 -3.161 9.602 428 H ARG 61 HN ARG 61 72.283 -0.800 6.988 429 HA ARG 61 HA ARG 61 73.605 -2.825 5.601 430 HB2 ARG 61 HB2 ARG 61 72.810 -0.062 4.643 431 HB3 ARG 61 HB1 ARG 61 73.268 -1.387 3.585 432 HG2 ARG 61 HG2 ARG 61 71.364 -2.736 4.362 433 HG3 ARG 61 HG1 ARG 61 70.927 -1.497 5.532 434 HD2 ARG 61 HD2 ARG 61 70.434 0.074 3.697 435 HD3 ARG 61 HD1 ARG 61 70.909 -1.145 2.517 436 HE ARG 61 HE ARG 61 68.950 -2.269 4.171 437 HH11 ARG 61 HH21 ARG 61 69.307 0.295 1.881 438 HH12 ARG 61 HH22 ARG 61 67.674 0.199 1.313 439 HH21 ARG 61 HH11 ARG 61 66.813 -2.408 3.428 440 HH22 ARG 61 HH12 ARG 61 66.261 -1.336 2.187 441 H TYR 62 HN TYR 62 74.732 0.395 6.481 442 HA TYR 62 HA TYR 62 77.240 0.116 4.994 443 HB2 TYR 62 HB2 TYR 62 76.118 2.343 6.697 444 HB3 TYR 62 HB1 TYR 62 77.644 2.416 5.838 445 HD1 TYR 62 HD1 TYR 62 77.699 2.238 3.314 446 HD2 TYR 62 HD2 TYR 62 73.981 2.611 5.468 447 HE1 TYR 62 HE1 TYR 62 76.537 2.859 1.225 448 HE2 TYR 62 HE2 TYR 62 72.839 3.231 3.376 449 HH TYR 62 HH TYR 62 74.547 4.004 0.496 450 H GLN 63 HN GLN 63 76.221 0.779 8.335 451 HA GLN 63 HA GLN 63 78.501 -0.748 9.419 452 HB2 GLN 63 HB2 GLN 63 77.902 2.152 10.078 453 HB3 GLN 63 HB1 GLN 63 78.885 1.116 11.100 454 HG2 GLN 63 HG2 GLN 63 80.516 0.829 9.248 455 HG3 GLN 63 HG1 GLN 63 79.522 1.849 8.217 456 HE21 GLN 63 HE21 GLN 63 81.871 2.948 8.349 457 HE22 GLN 63 HE22 GLN 63 81.992 4.181 9.510 458 H LYS 64 HN LYS 64 77.670 -2.147 10.754 459 HA LYS 64 HA LYS 64 75.120 -2.341 11.730 460 HB2 LYS 64 HB2 LYS 64 77.673 -3.288 13.015 461 HB3 LYS 64 HB1 LYS 64 76.088 -3.817 13.524 462 HG2 LYS 64 HG2 LYS 64 77.238 -4.215 10.723 463 HG3 LYS 64 HG1 LYS 64 77.303 -5.420 11.988 464 HD2 LYS 64 HD2 LYS 64 74.624 -5.100 11.966 465 HD3 LYS 64 HD1 LYS 64 74.946 -4.491 10.351 466 HE2 LYS 64 HE2 LYS 64 76.223 -6.619 9.884 467 HE3 LYS 64 HE1 LYS 64 75.636 -7.242 11.431 468 HZ1 LYS 64 HZ1 LYS 64 73.641 -7.621 10.598 469 HZ2 LYS 64 HZ2 LYS 64 74.325 -7.390 9.060 470 HZ3 LYS 64 HZ3 LYS 64 73.551 -6.102 9.851 471 H ASP 65 HN ASP 65 73.976 -1.851 13.491 472 HA ASP 65 HA ASP 65 75.068 0.093 15.461 473 HB2 ASP 65 HB2 ASP 65 72.202 0.171 14.761 474 HB3 ASP 65 HB1 ASP 65 73.263 1.473 15.215 475 H LEU 66 HN LEU 66 74.631 -2.927 15.493 476 HA LEU 66 HA LEU 66 72.392 -3.496 17.140 477 HB2 LEU 66 HB2 LEU 66 74.971 -5.016 16.696 478 HB3 LEU 66 HB1 LEU 66 73.622 -5.679 17.591 479 HG LEU 66 HG LEU 66 73.104 -4.672 14.791 480 HD11 LEU 66 HD11 LEU 66 73.601 -7.039 14.002 481 HD12 LEU 66 HD12 LEU 66 74.471 -7.278 15.515 482 HD13 LEU 66 HD13 LEU 66 75.023 -6.064 14.361 483 HD21 LEU 66 HD21 LEU 66 71.355 -6.280 14.787 484 HD22 LEU 66 HD22 LEU 66 71.296 -5.632 16.418 485 HD23 LEU 66 HD23 LEU 66 72.065 -7.185 16.117 486 H ALA 67 HN ALA 67 74.808 -1.526 18.055 487 HA ALA 67 HA ALA 67 75.665 -2.584 20.529 488 HB1 ALA 67 HB1 ALA 67 76.368 -0.307 21.040 489 HB2 ALA 67 HB2 ALA 67 75.388 0.319 19.714 490 HB3 ALA 67 HB3 ALA 67 76.787 -0.699 19.372 491 H ILE 68 HN ILE 68 72.919 -0.533 19.583 492 HA ILE 68 HA ILE 68 72.038 -0.162 22.271 493 HB ILE 68 HB ILE 68 69.854 0.581 21.039 494 HG12 ILE 68 HG12 ILE 68 71.717 1.059 18.725 495 HG13 ILE 68 HG11 ILE 68 70.899 -0.487 18.797 496 HG21 ILE 68 HG21 ILE 68 71.197 2.244 22.082 497 HG22 ILE 68 HG22 ILE 68 71.063 2.777 20.413 498 HG23 ILE 68 HG23 ILE 68 72.535 1.983 20.955 499 HD11 ILE 68 HD11 ILE 68 68.721 0.556 18.727 500 HD12 ILE 68 HD12 ILE 68 69.685 1.299 17.459 501 HD13 ILE 68 HD13 ILE 68 69.416 2.156 18.972 502 H HIS 69 HN HIS 69 70.353 -2.038 19.679 503 HA HIS 69 HA HIS 69 68.826 -3.504 21.641 504 HB2 HIS 69 HB2 HIS 69 67.786 -3.315 19.559 505 HB3 HIS 69 HB1 HIS 69 69.230 -3.801 18.677 506 HD2 HIS 69 HD2 HIS 69 69.332 -6.527 18.167 507 HE1 HIS 69 HE1 HIS 69 66.284 -7.723 20.830 508 HE2 HIS 69 HE2 HIS 69 67.877 -8.518 19.022 509 H HIS 70 HN HIS 70 69.468 -5.211 22.785 510 HA HIS 70 HA HIS 70 72.081 -6.357 22.444 511 HB2 HIS 70 HB2 HIS 70 69.752 -7.151 24.206 512 HB3 HIS 70 HB1 HIS 70 71.360 -7.872 24.286 513 HD2 HIS 70 HD2 HIS 70 69.508 -4.782 25.640 514 HE1 HIS 70 HE1 HIS 70 73.615 -4.103 26.325 515 HE2 HIS 70 HE2 HIS 70 71.266 -3.285 26.842 516 H GLN 71 HN GLN 71 72.665 -8.241 21.497 517 HA GLN 71 HA GLN 71 70.916 -9.443 19.590 518 HB2 GLN 71 HB2 GLN 71 73.641 -10.263 20.644 519 HB3 GLN 71 HB1 GLN 71 72.805 -11.120 19.354 520 HG2 GLN 71 HG2 GLN 71 72.838 -9.131 17.937 521 HG3 GLN 71 HG1 GLN 71 73.505 -8.164 19.252 522 HE21 GLN 71 HE21 GLN 71 74.366 -9.845 16.483 523 HE22 GLN 71 HE22 GLN 71 76.003 -10.121 16.843 524 H HIS 72 HN HIS 72 69.832 -11.367 19.626 525 HA HIS 72 HA HIS 72 68.951 -12.330 22.158 526 HB2 HIS 72 HB2 HIS 72 68.611 -13.455 19.367 527 HB3 HIS 72 HB1 HIS 72 67.778 -14.065 20.798 528 HD2 HIS 72 HD2 HIS 72 65.647 -12.440 21.715 529 HE1 HIS 72 HE1 HIS 72 65.991 -9.486 18.722 530 HE2 HIS 72 HE2 HIS 72 64.563 -10.318 20.645 531 H HIS 73 HN HIS 73 69.644 -13.986 23.374 532 HA HIS 73 HA HIS 73 72.175 -15.215 22.817 533 HB2 HIS 73 HB2 HIS 73 70.112 -15.770 24.962 534 HB3 HIS 73 HB1 HIS 73 71.735 -16.460 24.920 535 HD2 HIS 73 HD2 HIS 73 70.003 -13.276 26.168 536 HE1 HIS 73 HE1 HIS 73 74.137 -12.423 26.106 537 HE2 HIS 73 HE2 HIS 73 71.867 -11.605 26.905 538 H HIS 74 HN HIS 74 72.619 -17.190 22.002 539 HA HIS 74 HA HIS 74 70.591 -18.611 20.570 540 HB2 HIS 74 HB2 HIS 74 73.477 -19.270 21.185 541 HB3 HIS 74 HB1 HIS 74 72.445 -20.246 20.138 542 HD2 HIS 74 HD2 HIS 74 71.704 -18.962 17.669 543 HE1 HIS 74 HE1 HIS 74 74.443 -15.777 18.076 544 HE2 HIS 74 HE2 HIS 74 72.852 -16.940 16.478 545 H GLY 75 HN GLY 75 69.549 -20.484 21.058 546 HA2 GLY 75 HA2 GLY 75 69.174 -21.200 23.765 547 HA3 GLY 75 HA1 GLY 75 68.620 -22.127 22.376 548 H GLY 76 HN GLY 76 71.227 -22.502 21.215 549 HA2 GLY 76 HA2 GLY 76 73.093 -23.854 21.338 550 HA3 GLY 76 HA1 GLY 76 72.988 -23.762 23.093 551 H SER 77 HN SER 77 73.676 -26.103 22.675 552 HA SER 77 HA SER 77 71.760 -27.970 21.685 553 HB2 SER 77 HB2 SER 77 74.262 -28.218 23.341 554 HB3 SER 77 HB1 SER 77 73.242 -29.615 23.008 555 HG SER 77 HG SER 77 74.153 -29.670 21.126 556 H MET 78 HN MET 78 70.352 -29.314 22.788 557 HA MET 78 HA MET 78 69.082 -28.248 25.082 558 HB2 MET 78 HB2 MET 78 68.913 -30.924 23.680 559 HB3 MET 78 HB1 MET 78 67.954 -30.560 25.112 560 HG2 MET 78 HG2 MET 78 66.798 -28.770 23.997 561 HG3 MET 78 HG1 MET 78 67.944 -28.781 22.660 562 HE1 MET 78 HE1 MET 78 65.395 -30.873 24.674 563 HE2 MET 78 HE2 MET 78 64.388 -31.556 23.405 564 HE3 MET 78 HE3 MET 78 64.431 -29.813 23.636 565 H GLY 79 HN GLY 79 71.398 -30.878 24.628 566 HA2 GLY 79 HA2 GLY 79 72.914 -31.797 26.110 567 HA3 GLY 79 HA1 GLY 79 72.391 -30.629 27.317 568 H MET 80 HN MET 80 69.646 -32.052 26.172 569 HA MET 80 HA MET 80 69.138 -33.486 28.564 570 HB2 MET 80 HB2 MET 80 67.762 -33.393 25.874 571 HB3 MET 80 HB1 MET 80 67.184 -34.430 27.173 572 HG2 MET 80 HG2 MET 80 67.670 -31.498 27.683 573 HG3 MET 80 HG1 MET 80 66.178 -32.023 26.917 574 HE1 MET 80 HE1 MET 80 64.073 -32.391 28.414 575 HE2 MET 80 HE2 MET 80 64.149 -33.753 29.524 576 HE3 MET 80 HE3 MET 80 64.696 -33.954 27.865 577 H SER 81 HN SER 81 70.157 -34.473 25.331 578 HA SER 81 HA SER 81 69.979 -37.260 25.682 579 HB2 SER 81 HB2 SER 81 71.896 -35.674 23.960 580 HB3 SER 81 HB1 SER 81 71.566 -37.396 23.803 581 HG SER 81 HG SER 81 70.137 -35.257 22.932 582 H GLY 82 HN GLY 82 72.612 -34.978 26.345 583 HA2 GLY 82 HA2 GLY 82 74.576 -36.879 27.051 584 HA3 GLY 82 HA1 GLY 82 74.555 -35.195 27.562 585 H SER 83 HN SER 83 72.069 -35.238 28.933 586 HA SER 83 HA SER 83 72.915 -36.237 31.475 587 HB2 SER 83 HB2 SER 83 70.377 -34.979 30.456 588 HB3 SER 83 HB1 SER 83 70.499 -35.596 32.101 589 HG SER 83 HG SER 83 72.064 -34.135 32.535 590 H GLY 84 HN GLY 84 72.062 -37.928 32.698 591 HA2 GLY 84 HA2 GLY 84 71.403 -40.295 31.307 592 HA3 GLY 84 HA1 GLY 84 71.282 -40.064 33.048 593 H THR 85 HN THR 85 69.412 -37.925 33.030 594 HA THR 85 HA THR 85 66.994 -39.372 32.928 595 HB THR 85 HB THR 85 67.510 -36.383 33.046 596 HG1 THR 85 HG1 THR 85 67.355 -38.456 34.894 597 HG21 THR 85 HG21 THR 85 64.937 -37.942 33.210 598 HG22 THR 85 HG22 THR 85 65.255 -36.359 32.504 599 HG23 THR 85 HG23 THR 85 65.157 -36.538 34.251 600 H GLY 86 HN GLY 86 65.485 -39.623 31.367 601 HA2 GLY 86 HA2 GLY 86 65.202 -37.880 29.115 602 HA3 GLY 86 HA1 GLY 86 66.027 -39.372 28.675 603 H TYR 87 HN TYR 87 63.712 -38.894 27.450 604 HA TYR 87 HA TYR 87 61.958 -41.034 28.384 605 HB2 TYR 87 HB2 TYR 87 61.042 -38.167 28.087 606 HB3 TYR 87 HB1 TYR 87 59.940 -39.525 28.052 607 HD1 TYR 87 HD1 TYR 87 59.744 -41.061 30.059 608 HD2 TYR 87 HD2 TYR 87 62.001 -37.389 30.235 609 HE1 TYR 87 HE1 TYR 87 59.700 -41.138 32.529 610 HE2 TYR 87 HE2 TYR 87 61.948 -37.482 32.696 611 HH TYR 87 HH TYR 87 59.943 -39.027 34.440 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 45.233 -10.947 11.453 2 H2 MET 1 HT2 MET 1 46.438 -12.132 11.613 3 H3 MET 1 HT3 MET 1 45.431 -11.759 12.929 4 HA MET 1 HA MET 1 43.502 -12.515 11.524 5 HB2 MET 1 HB2 MET 1 45.856 -13.542 9.902 6 HB3 MET 1 HB1 MET 1 44.222 -14.165 9.733 7 HG2 MET 1 HG2 MET 1 43.398 -11.982 9.017 8 HG3 MET 1 HG1 MET 1 44.966 -11.243 9.331 9 HE1 MET 1 HE1 MET 1 47.177 -12.071 8.207 10 HE2 MET 1 HE2 MET 1 46.508 -10.727 7.284 11 HE3 MET 1 HE3 MET 1 47.168 -12.125 6.443 12 H GLY 2 HN GLY 2 42.660 -14.169 12.635 13 HA2 GLY 2 HA2 GLY 2 42.492 -16.127 13.847 14 HA3 GLY 2 HA1 GLY 2 44.106 -16.555 13.293 15 H ALA 3 HN ALA 3 43.865 -17.323 15.711 16 HA ALA 3 HA ALA 3 44.140 -15.389 17.762 17 HB1 ALA 3 HB1 ALA 3 43.986 -18.226 17.606 18 HB2 ALA 3 HB2 ALA 3 43.807 -17.191 19.022 19 HB3 ALA 3 HB3 ALA 3 45.399 -17.805 18.576 20 HA PRO 4 HA PRO 4 48.930 -16.235 17.506 21 HB2 PRO 4 HB2 PRO 4 49.352 -16.650 14.611 22 HB3 PRO 4 HB1 PRO 4 50.071 -17.505 15.985 23 HG2 PRO 4 HG2 PRO 4 48.242 -18.622 14.379 24 HG3 PRO 4 HG1 PRO 4 48.367 -19.012 16.102 25 HD2 PRO 4 HD2 PRO 4 46.363 -17.296 14.696 26 HD3 PRO 4 HD1 PRO 4 46.163 -18.371 16.092 27 H VAL 5 HN VAL 5 50.396 -14.531 17.125 28 HA VAL 5 HA VAL 5 49.665 -12.396 15.210 29 HB VAL 5 HB VAL 5 50.256 -11.970 18.171 30 HG11 VAL 5 HG11 VAL 5 49.176 -9.615 17.263 31 HG12 VAL 5 HG12 VAL 5 50.185 -10.065 15.898 32 HG13 VAL 5 HG13 VAL 5 50.892 -9.905 17.501 33 HG21 VAL 5 HG21 VAL 5 47.651 -11.875 16.637 34 HG22 VAL 5 HG22 VAL 5 47.885 -11.006 18.147 35 HG23 VAL 5 HG23 VAL 5 48.046 -12.753 18.113 36 HA PRO 6 HA PRO 6 54.300 -13.538 15.312 37 HB2 PRO 6 HB2 PRO 6 54.006 -12.875 12.432 38 HB3 PRO 6 HB1 PRO 6 54.840 -14.241 13.196 39 HG2 PRO 6 HG2 PRO 6 52.510 -14.514 11.918 40 HG3 PRO 6 HG1 PRO 6 52.945 -15.497 13.324 41 HD2 PRO 6 HD2 PRO 6 51.011 -13.242 13.123 42 HD3 PRO 6 HD1 PRO 6 50.999 -14.662 14.185 43 H TYR 7 HN TYR 7 52.538 -11.039 13.567 44 HA TYR 7 HA TYR 7 54.697 -9.182 13.407 45 HB2 TYR 7 HB2 TYR 7 52.185 -7.796 13.347 46 HB3 TYR 7 HB1 TYR 7 53.290 -8.101 12.028 47 HD1 TYR 7 HD1 TYR 7 53.192 -10.340 10.799 48 HD2 TYR 7 HD2 TYR 7 50.063 -9.034 13.462 49 HE1 TYR 7 HE1 TYR 7 51.628 -11.953 9.771 50 HE2 TYR 7 HE2 TYR 7 48.519 -10.645 12.431 51 HH TYR 7 HH TYR 7 48.955 -12.043 9.551 52 HA PRO 8 HA PRO 8 54.335 -7.439 17.533 53 HB2 PRO 8 HB2 PRO 8 54.976 -4.828 17.313 54 HB3 PRO 8 HB1 PRO 8 56.154 -6.095 16.925 55 HG2 PRO 8 HG2 PRO 8 54.403 -4.532 15.089 56 HG3 PRO 8 HG1 PRO 8 56.147 -4.846 14.977 57 HD2 PRO 8 HD2 PRO 8 54.326 -6.292 13.585 58 HD3 PRO 8 HD1 PRO 8 55.848 -6.996 14.166 59 H ASP 9 HN ASP 9 53.310 -5.378 18.747 60 HA ASP 9 HA ASP 9 50.647 -4.728 17.677 61 HB2 ASP 9 HB2 ASP 9 50.600 -5.132 20.539 62 HB3 ASP 9 HB1 ASP 9 49.588 -5.878 19.305 63 HA PRO 10 HA PRO 10 51.348 -0.580 19.277 64 HB2 PRO 10 HB2 PRO 10 49.158 -0.736 21.270 65 HB3 PRO 10 HB1 PRO 10 49.406 0.429 19.957 66 HG2 PRO 10 HG2 PRO 10 47.535 -1.474 19.862 67 HG3 PRO 10 HG1 PRO 10 48.371 -0.884 18.418 68 HD2 PRO 10 HD2 PRO 10 48.689 -3.466 19.860 69 HD3 PRO 10 HD1 PRO 10 48.913 -3.075 18.143 70 H LEU 11 HN LEU 11 50.526 -2.914 21.787 71 HA LEU 11 HA LEU 11 51.812 -1.567 23.937 72 HB2 LEU 11 HB2 LEU 11 50.962 -4.441 23.571 73 HB3 LEU 11 HB1 LEU 11 51.638 -3.842 25.073 74 HG LEU 11 HG LEU 11 49.153 -2.675 23.731 75 HD11 LEU 11 HD11 LEU 11 48.478 -4.861 24.275 76 HD12 LEU 11 HD12 LEU 11 47.927 -3.884 25.632 77 HD13 LEU 11 HD13 LEU 11 49.380 -4.866 25.792 78 HD21 LEU 11 HD21 LEU 11 48.770 -2.112 26.340 79 HD22 LEU 11 HD22 LEU 11 49.611 -1.010 25.259 80 HD23 LEU 11 HD23 LEU 11 50.528 -2.056 26.334 81 H GLU 12 HN GLU 12 52.819 -4.065 21.708 82 HA GLU 12 HA GLU 12 54.748 -5.324 21.516 83 HB2 GLU 12 HB2 GLU 12 56.723 -3.807 20.909 84 HB3 GLU 12 HB1 GLU 12 55.250 -3.664 19.969 85 HG2 GLU 12 HG2 GLU 12 54.637 -1.637 21.027 86 HG3 GLU 12 HG1 GLU 12 55.820 -1.832 22.300 87 HA PRO 13 HA PRO 13 56.072 -5.003 26.093 88 HB2 PRO 13 HB2 PRO 13 56.052 -7.958 25.703 89 HB3 PRO 13 HB1 PRO 13 55.478 -6.993 27.076 90 HG2 PRO 13 HG2 PRO 13 53.788 -8.114 25.363 91 HG3 PRO 13 HG1 PRO 13 53.470 -6.528 26.086 92 HD2 PRO 13 HD2 PRO 13 54.331 -7.192 23.307 93 HD3 PRO 13 HD1 PRO 13 53.308 -5.865 23.896 94 H ARG 14 HN ARG 14 57.203 -7.123 23.474 95 HA ARG 14 HA ARG 14 59.771 -7.649 24.527 96 HB2 ARG 14 HB2 ARG 14 58.586 -8.823 22.577 97 HB3 ARG 14 HB1 ARG 14 59.070 -7.459 21.579 98 HG2 ARG 14 HG2 ARG 14 61.487 -7.948 22.150 99 HG3 ARG 14 HG1 ARG 14 60.955 -9.361 23.051 100 HD2 ARG 14 HD2 ARG 14 59.936 -10.250 20.926 101 HD3 ARG 14 HD1 ARG 14 60.650 -8.882 20.072 102 HE ARG 14 HE ARG 14 62.655 -10.186 21.576 103 HH11 ARG 14 HH21 ARG 14 60.599 -10.639 18.831 104 HH12 ARG 14 HH22 ARG 14 61.695 -11.704 18.015 105 HH21 ARG 14 HH11 ARG 14 64.086 -11.591 20.524 106 HH22 ARG 14 HH12 ARG 14 63.669 -12.243 18.975 107 H GLY 15 HN GLY 15 58.547 -5.133 22.346 108 HA2 GLY 15 HA2 GLY 15 59.342 -3.012 21.908 109 HA3 GLY 15 HA1 GLY 15 60.482 -3.219 23.233 110 H GLY 16 HN GLY 16 61.747 -1.968 21.457 111 HA2 GLY 16 HA2 GLY 16 63.833 -3.539 20.523 112 HA3 GLY 16 HA1 GLY 16 62.700 -3.398 19.185 113 H LYS 17 HN LYS 17 65.358 -2.026 20.615 114 HA LYS 17 HA LYS 17 64.852 0.747 20.187 115 HB2 LYS 17 HB2 LYS 17 67.551 -0.623 20.018 116 HB3 LYS 17 HB1 LYS 17 67.238 1.049 20.442 117 HG2 LYS 17 HG2 LYS 17 66.630 -1.424 22.111 118 HG3 LYS 17 HG1 LYS 17 67.822 -0.187 22.451 119 HD2 LYS 17 HD2 LYS 17 65.799 1.459 22.554 120 HD3 LYS 17 HD1 LYS 17 64.813 0.003 22.676 121 HE2 LYS 17 HE2 LYS 17 66.389 -0.693 24.595 122 HE3 LYS 17 HE1 LYS 17 66.912 0.992 24.599 123 HZ1 LYS 17 HZ1 LYS 17 64.597 -0.108 25.720 124 HZ2 LYS 17 HZ2 LYS 17 64.122 0.943 24.472 125 HZ3 LYS 17 HZ3 LYS 17 65.107 1.510 25.736 126 H HIS 18 HN HIS 18 66.498 -1.733 18.280 127 HA HIS 18 HA HIS 18 67.197 -0.249 16.125 128 HB2 HIS 18 HB2 HIS 18 67.118 -2.957 16.653 129 HB3 HIS 18 HB1 HIS 18 66.070 -2.808 15.257 130 HD2 HIS 18 HD2 HIS 18 68.008 -0.419 13.753 131 HE1 HIS 18 HE1 HIS 18 70.824 -3.542 13.755 132 H ILE 19 HN ILE 19 63.970 -1.257 16.848 133 HA ILE 19 HA ILE 19 62.959 -0.215 14.252 134 HB ILE 19 HB ILE 19 61.797 -2.321 16.097 135 HG12 ILE 19 HG12 ILE 19 62.267 -2.670 13.145 136 HG13 ILE 19 HG11 ILE 19 63.654 -2.768 14.210 137 HG21 ILE 19 HG21 ILE 19 60.076 -2.436 14.065 138 HG22 ILE 19 HG22 ILE 19 60.492 -0.744 13.861 139 HG23 ILE 19 HG23 ILE 19 59.803 -1.314 15.386 140 HD11 ILE 19 HD11 ILE 19 62.491 -4.975 13.685 141 HD12 ILE 19 HD12 ILE 19 61.150 -4.409 14.673 142 HD13 ILE 19 HD13 ILE 19 62.745 -4.640 15.396 143 H CYS 20 HN CYS 20 62.100 1.683 14.385 144 HA CYS 20 HA CYS 20 61.293 2.862 16.904 145 HB2 CYS 20 HB2 CYS 20 62.233 4.305 15.267 146 HB3 CYS 20 HB1 CYS 20 61.122 3.760 14.030 147 H ALA 21 HN ALA 21 59.141 3.362 17.542 148 HA ALA 21 HA ALA 21 57.172 1.400 16.814 149 HB1 ALA 21 HB1 ALA 21 55.934 2.235 18.604 150 HB2 ALA 21 HB2 ALA 21 56.603 3.860 18.428 151 HB3 ALA 21 HB3 ALA 21 57.597 2.564 19.092 152 H ILE 22 HN ILE 22 58.012 4.379 15.523 153 HA ILE 22 HA ILE 22 55.386 4.848 14.266 154 HB ILE 22 HB ILE 22 57.599 6.793 14.964 155 HG12 ILE 22 HG12 ILE 22 56.420 6.219 16.983 156 HG13 ILE 22 HG11 ILE 22 55.997 7.849 16.521 157 HG21 ILE 22 HG21 ILE 22 55.160 7.224 13.297 158 HG22 ILE 22 HG22 ILE 22 56.786 7.891 13.138 159 HG23 ILE 22 HG23 ILE 22 55.699 8.516 14.368 160 HD11 ILE 22 HD11 ILE 22 53.921 7.017 17.125 161 HD12 ILE 22 HD12 ILE 22 54.284 5.389 16.575 162 HD13 ILE 22 HD13 ILE 22 53.878 6.642 15.409 163 H CYS 23 HN CYS 23 58.672 5.959 13.474 164 HA CYS 23 HA CYS 23 58.148 5.878 10.691 165 HB2 CYS 23 HB2 CYS 23 60.921 5.873 11.728 166 HB3 CYS 23 HB1 CYS 23 60.210 6.857 10.461 167 H GLY 24 HN GLY 24 59.285 3.568 12.928 168 HA2 GLY 24 HA2 GLY 24 59.399 1.252 12.527 169 HA3 GLY 24 HA1 GLY 24 59.509 1.545 10.822 170 H ASN 25 HN ASN 25 61.853 3.635 11.706 171 HA ASN 25 HA ASN 25 63.915 1.851 12.590 172 HB2 ASN 25 HB2 ASN 25 65.225 1.754 10.538 173 HB3 ASN 25 HB1 ASN 25 63.650 1.070 10.245 174 HD21 ASN 25 HD21 ASN 25 65.124 1.984 8.070 175 HD22 ASN 25 HD22 ASN 25 64.403 3.386 7.441 176 H ASN 26 HN ASN 26 62.903 4.687 13.085 177 HA ASN 26 HA ASN 26 65.301 6.317 12.401 178 HB2 ASN 26 HB2 ASN 26 62.575 6.921 13.225 179 HB3 ASN 26 HB1 ASN 26 63.784 7.930 13.964 180 HD21 ASN 26 HD21 ASN 26 63.360 6.521 10.650 181 HD22 ASN 26 HD22 ASN 26 63.666 7.985 9.850 182 H ALA 27 HN ALA 27 64.171 4.376 14.896 183 HA ALA 27 HA ALA 27 65.405 5.733 17.110 184 HB1 ALA 27 HB1 ALA 27 64.813 3.544 18.276 185 HB2 ALA 27 HB2 ALA 27 64.098 3.040 16.734 186 HB3 ALA 27 HB3 ALA 27 63.468 4.443 17.584 187 H GLU 28 HN GLU 28 67.363 5.831 15.609 188 HA GLU 28 HA GLU 28 69.332 3.974 16.567 189 HB2 GLU 28 HB2 GLU 28 68.551 2.719 14.683 190 HB3 GLU 28 HB1 GLU 28 68.527 4.148 13.660 191 HG2 GLU 28 HG2 GLU 28 70.860 4.207 13.452 192 HG3 GLU 28 HG1 GLU 28 71.122 3.197 14.876 193 H ASP 29 HN ASP 29 68.460 6.834 14.711 194 HA ASP 29 HA ASP 29 70.766 8.245 15.729 195 HB2 ASP 29 HB2 ASP 29 71.839 7.145 13.852 196 HB3 ASP 29 HB1 ASP 29 70.569 7.670 12.755 197 H TYR 30 HN TYR 30 69.014 8.951 12.698 198 HA TYR 30 HA TYR 30 68.312 11.565 13.625 199 HB2 TYR 30 HB2 TYR 30 67.656 9.963 11.152 200 HB3 TYR 30 HB1 TYR 30 66.990 11.558 11.430 201 HD1 TYR 30 HD1 TYR 30 68.500 13.555 11.636 202 HD2 TYR 30 HD2 TYR 30 70.052 9.691 10.536 203 HE1 TYR 30 HE1 TYR 30 70.572 14.615 10.825 204 HE2 TYR 30 HE2 TYR 30 72.123 10.760 9.732 205 HH TYR 30 HH TYR 30 72.685 13.235 8.823 206 H LYS 31 HN LYS 31 66.399 12.285 14.352 207 HA LYS 31 HA LYS 31 64.090 10.446 14.578 208 HB2 LYS 31 HB2 LYS 31 65.138 12.303 16.742 209 HB3 LYS 31 HB1 LYS 31 63.647 11.372 16.839 210 HG2 LYS 31 HG2 LYS 31 64.954 9.257 16.685 211 HG3 LYS 31 HG1 LYS 31 66.445 10.190 16.616 212 HD2 LYS 31 HD2 LYS 31 65.977 11.119 18.875 213 HD3 LYS 31 HD1 LYS 31 64.480 10.195 18.951 214 HE2 LYS 31 HE2 LYS 31 65.774 8.085 18.827 215 HE3 LYS 31 HE1 LYS 31 67.274 9.012 18.756 216 HZ1 LYS 31 HZ1 LYS 31 67.096 8.580 20.979 217 HZ2 LYS 31 HZ2 LYS 31 65.399 8.674 20.988 218 HZ3 LYS 31 HZ3 LYS 31 66.331 10.092 20.895 219 H HIS 32 HN HIS 32 64.724 12.376 12.612 220 HA HIS 32 HA HIS 32 63.148 14.764 13.188 221 HB2 HIS 32 HB2 HIS 32 64.817 13.792 10.946 222 HB3 HIS 32 HB1 HIS 32 63.525 14.928 10.556 223 HD2 HIS 32 HD2 HIS 32 66.680 14.840 12.976 224 HE1 HIS 32 HE1 HIS 32 65.615 18.860 12.252 225 HE2 HIS 32 HE2 HIS 32 67.329 17.342 13.354 226 H THR 33 HN THR 33 62.675 11.712 11.506 227 HA THR 33 HA THR 33 60.192 12.536 10.252 228 HB THR 33 HB THR 33 60.100 10.291 9.399 229 HG1 THR 33 HG1 THR 33 61.605 9.825 11.645 230 HG21 THR 33 HG21 THR 33 63.069 10.809 9.526 231 HG22 THR 33 HG22 THR 33 62.021 11.884 8.604 232 HG23 THR 33 HG23 THR 33 62.119 10.177 8.186 233 H ASP 34 HN ASP 34 61.003 11.711 13.390 234 HA ASP 34 HA ASP 34 58.762 10.125 14.149 235 HB2 ASP 34 HB2 ASP 34 60.718 11.832 15.643 236 HB3 ASP 34 HB1 ASP 34 59.300 11.204 16.467 237 H MET 35 HN MET 35 59.102 13.409 13.342 238 HA MET 35 HA MET 35 56.801 14.384 14.829 239 HB2 MET 35 HB2 MET 35 58.506 15.603 12.638 240 HB3 MET 35 HB1 MET 35 57.150 16.432 13.393 241 HG2 MET 35 HG2 MET 35 58.253 16.372 15.571 242 HG3 MET 35 HG1 MET 35 59.538 15.351 14.933 243 HE1 MET 35 HE1 MET 35 57.657 18.709 14.558 244 HE2 MET 35 HE2 MET 35 58.980 19.864 14.480 245 HE3 MET 35 HE3 MET 35 58.745 18.909 15.940 246 H ASP 36 HN ASP 36 54.749 14.482 14.147 247 HA ASP 36 HA ASP 36 53.986 13.109 11.715 248 HB2 ASP 36 HB2 ASP 36 52.676 12.819 13.754 249 HB3 ASP 36 HB1 ASP 36 52.325 14.543 13.804 250 H LEU 37 HN LEU 37 54.627 14.285 9.976 251 HA LEU 37 HA LEU 37 53.344 16.926 9.497 252 HB2 LEU 37 HB2 LEU 37 56.100 15.955 8.705 253 HB3 LEU 37 HB1 LEU 37 55.360 17.389 8.023 254 HG LEU 37 HG LEU 37 55.849 16.971 11.014 255 HD11 LEU 37 HD11 LEU 37 57.622 18.242 8.930 256 HD12 LEU 37 HD12 LEU 37 58.026 17.019 10.134 257 HD13 LEU 37 HD13 LEU 37 57.723 18.680 10.632 258 HD21 LEU 37 HD21 LEU 37 55.878 19.646 10.759 259 HD22 LEU 37 HD22 LEU 37 54.396 18.755 11.072 260 HD23 LEU 37 HD23 LEU 37 54.766 19.294 9.442 261 H THR 38 HN THR 38 51.663 16.298 8.274 262 HA THR 38 HA THR 38 51.802 14.250 6.283 263 HB THR 38 HB THR 38 49.599 15.283 5.529 264 HG1 THR 38 HG1 THR 38 48.827 16.958 6.647 265 HG21 THR 38 HG21 THR 38 48.463 14.707 7.777 266 HG22 THR 38 HG22 THR 38 50.083 14.327 8.353 267 HG23 THR 38 HG23 THR 38 49.401 13.441 6.990 268 H TYR 39 HN TYR 39 52.254 17.712 6.313 269 HA TYR 39 HA TYR 39 52.122 18.252 3.561 270 HB2 TYR 39 HB2 TYR 39 52.116 20.026 5.205 271 HB3 TYR 39 HB1 TYR 39 53.712 19.569 5.764 272 HD1 TYR 39 HD1 TYR 39 51.816 20.852 2.811 273 HD2 TYR 39 HD2 TYR 39 55.717 20.372 4.583 274 HE1 TYR 39 HE1 TYR 39 52.796 22.307 1.072 275 HE2 TYR 39 HE2 TYR 39 56.679 21.820 2.848 276 HH TYR 39 HH TYR 39 54.739 22.998 0.133 277 H THR 40 HN THR 40 54.886 17.325 5.604 278 HA THR 40 HA THR 40 56.869 17.535 3.624 279 HB THR 40 HB THR 40 56.677 15.822 6.119 280 HG1 THR 40 HG1 THR 40 56.765 18.015 6.494 281 HG21 THR 40 HG21 THR 40 59.295 15.919 5.838 282 HG22 THR 40 HG22 THR 40 58.931 16.079 4.126 283 HG23 THR 40 HG23 THR 40 58.384 14.656 5.018 284 H ASP 41 HN ASP 41 57.330 16.340 1.906 285 HA ASP 41 HA ASP 41 55.738 14.013 1.223 286 HB2 ASP 41 HB2 ASP 41 58.035 15.337 -0.237 287 HB3 ASP 41 HB1 ASP 41 56.970 14.099 -0.899 288 H ARG 42 HN ARG 42 56.894 12.078 0.280 289 HA ARG 42 HA ARG 42 58.481 10.854 2.284 290 HB2 ARG 42 HB2 ARG 42 57.975 10.075 -0.602 291 HB3 ARG 42 HB1 ARG 42 58.800 9.044 0.560 292 HG2 ARG 42 HG2 ARG 42 56.784 8.965 1.984 293 HG3 ARG 42 HG1 ARG 42 55.952 10.078 0.905 294 HD2 ARG 42 HD2 ARG 42 55.228 7.785 0.478 295 HD3 ARG 42 HD1 ARG 42 56.102 8.387 -0.921 296 HE ARG 42 HE ARG 42 57.895 7.049 0.832 297 HH11 ARG 42 HH21 ARG 42 55.273 6.483 -1.349 298 HH12 ARG 42 HH22 ARG 42 55.795 4.886 -1.774 299 HH21 ARG 42 HH11 ARG 42 58.584 4.961 0.281 300 HH22 ARG 42 HH12 ARG 42 57.666 4.026 -0.852 301 H ASP 43 HN ASP 43 60.380 11.826 2.739 302 HA ASP 43 HA ASP 43 62.243 12.641 0.641 303 HB2 ASP 43 HB2 ASP 43 62.556 12.674 3.646 304 HB3 ASP 43 HB1 ASP 43 63.585 13.499 2.474 305 H TYR 44 HN TYR 44 61.442 9.775 1.410 306 HA TYR 44 HA TYR 44 63.919 8.534 2.270 307 HB2 TYR 44 HB2 TYR 44 61.321 7.393 1.224 308 HB3 TYR 44 HB1 TYR 44 62.674 6.418 1.756 309 HD1 TYR 44 HD1 TYR 44 60.044 8.804 2.865 310 HD2 TYR 44 HD2 TYR 44 63.287 6.275 4.167 311 HE1 TYR 44 HE1 TYR 44 59.301 9.038 5.202 312 HE2 TYR 44 HE2 TYR 44 62.532 6.522 6.501 313 HH TYR 44 HH TYR 44 59.743 7.305 7.468 314 H LYS 45 HN LYS 45 65.380 7.475 1.025 315 HA LYS 45 HA LYS 45 65.084 7.488 -1.938 316 HB2 LYS 45 HB2 LYS 45 67.544 8.161 -0.297 317 HB3 LYS 45 HB1 LYS 45 67.529 7.947 -2.045 318 HG2 LYS 45 HG2 LYS 45 65.963 9.859 -2.283 319 HG3 LYS 45 HG1 LYS 45 65.934 10.061 -0.535 320 HD2 LYS 45 HD2 LYS 45 68.365 10.584 -0.549 321 HD3 LYS 45 HD1 LYS 45 68.408 10.362 -2.295 322 HE2 LYS 45 HE2 LYS 45 66.838 12.260 -2.576 323 HE3 LYS 45 HE1 LYS 45 66.783 12.475 -0.825 324 HZ1 LYS 45 HZ1 LYS 45 68.980 13.144 -0.757 325 HZ2 LYS 45 HZ2 LYS 45 68.399 13.892 -2.168 326 HZ3 LYS 45 HZ3 LYS 45 69.347 12.487 -2.277 327 H ASN 46 HN ASN 46 65.932 5.765 -3.023 328 HA ASN 46 HA ASN 46 66.115 3.302 -1.561 329 HB2 ASN 46 HB2 ASN 46 66.664 3.931 -4.475 330 HB3 ASN 46 HB1 ASN 46 66.546 2.310 -3.790 331 HD21 ASN 46 HD21 ASN 46 64.748 4.426 -5.542 332 HD22 ASN 46 HD22 ASN 46 63.194 4.026 -4.990 333 H CYS 47 HN CYS 47 67.856 3.101 -0.272 334 HA CYS 47 HA CYS 47 70.502 3.983 -1.009 335 HB2 CYS 47 HB2 CYS 47 70.177 4.062 1.283 336 HB3 CYS 47 HB1 CYS 47 69.291 2.537 1.316 337 HG CYS 47 HG CYS 47 71.630 1.330 0.797 338 H GLU 48 HN GLU 48 72.137 2.834 -1.875 339 HA GLU 48 HA GLU 48 71.600 0.335 -3.154 340 HB2 GLU 48 HB2 GLU 48 74.188 1.844 -2.688 341 HB3 GLU 48 HB1 GLU 48 74.068 0.384 -3.666 342 HG2 GLU 48 HG2 GLU 48 72.542 1.508 -5.228 343 HG3 GLU 48 HG1 GLU 48 72.518 2.947 -4.213 344 H SER 49 HN SER 49 71.871 -1.676 -2.441 345 HA SER 49 HA SER 49 72.664 -2.189 0.292 346 HB2 SER 49 HB2 SER 49 71.808 -4.330 -0.037 347 HB3 SER 49 HB1 SER 49 70.827 -3.369 -1.139 348 HG SER 49 HG SER 49 72.761 -5.273 -1.655 349 H TYR 50 HN TYR 50 74.255 -3.927 0.789 350 HA TYR 50 HA TYR 50 76.313 -4.547 -1.135 351 HB2 TYR 50 HB2 TYR 50 76.837 -2.143 -0.295 352 HB3 TYR 50 HB1 TYR 50 77.241 -2.898 1.227 353 HD1 TYR 50 HD1 TYR 50 79.124 -4.580 1.368 354 HD2 TYR 50 HD2 TYR 50 78.296 -2.425 -2.276 355 HE1 TYR 50 HE1 TYR 50 81.339 -5.200 0.490 356 HE2 TYR 50 HE2 TYR 50 80.518 -3.054 -3.138 357 HH TYR 50 HH TYR 50 82.448 -5.454 -1.694 358 H HIS 51 HN HIS 51 75.856 -4.234 2.399 359 HA HIS 51 HA HIS 51 77.050 -6.877 2.881 360 HB2 HIS 51 HB2 HIS 51 76.237 -4.572 4.631 361 HB3 HIS 51 HB1 HIS 51 76.603 -6.151 5.314 362 HD2 HIS 51 HD2 HIS 51 78.505 -3.040 4.103 363 HE1 HIS 51 HE1 HIS 51 81.357 -6.127 4.483 364 HE2 HIS 51 HE2 HIS 51 81.046 -3.632 4.150 365 H LYS 52 HN LYS 52 74.028 -5.625 2.227 366 HA LYS 52 HA LYS 52 71.863 -6.252 2.536 367 HB2 LYS 52 HB2 LYS 52 73.194 -8.966 2.593 368 HB3 LYS 52 HB1 LYS 52 71.475 -8.691 2.372 369 HG2 LYS 52 HG2 LYS 52 71.905 -7.432 0.295 370 HG3 LYS 52 HG1 LYS 52 73.640 -7.616 0.523 371 HD2 LYS 52 HD2 LYS 52 73.397 -10.090 0.308 372 HD3 LYS 52 HD1 LYS 52 71.664 -9.889 0.070 373 HE2 LYS 52 HE2 LYS 52 72.098 -8.578 -1.986 374 HE3 LYS 52 HE1 LYS 52 73.835 -8.758 -1.735 375 HZ1 LYS 52 HZ1 LYS 52 73.274 -10.448 -3.205 376 HZ2 LYS 52 HZ2 LYS 52 71.842 -10.840 -2.381 377 HZ3 LYS 52 HZ3 LYS 52 73.349 -11.237 -1.706 378 H CYS 53 HN CYS 53 71.326 -5.356 4.466 379 HA CYS 53 HA CYS 53 71.974 -6.322 7.022 380 HB2 CYS 53 HB2 CYS 53 70.416 -4.774 7.851 381 HB3 CYS 53 HB1 CYS 53 70.955 -4.064 6.329 382 HG CYS 53 HG CYS 53 68.335 -4.027 6.329 383 H SER 54 HN SER 54 69.754 -6.613 8.491 384 HA SER 54 HA SER 54 67.971 -8.668 7.472 385 HB2 SER 54 HB2 SER 54 69.919 -9.394 9.670 386 HB3 SER 54 HB1 SER 54 68.666 -10.432 8.998 387 HG SER 54 HG SER 54 69.801 -10.106 6.940 388 H ASP 55 HN ASP 55 68.212 -5.996 9.016 389 HA ASP 55 HA ASP 55 66.203 -6.605 11.118 390 HB2 ASP 55 HB2 ASP 55 68.488 -4.652 11.352 391 HB3 ASP 55 HB1 ASP 55 67.261 -4.971 12.573 392 H LEU 56 HN LEU 56 66.394 -5.346 8.250 393 HA LEU 56 HA LEU 56 65.268 -3.840 6.999 394 HB2 LEU 56 HB2 LEU 56 63.582 -3.225 9.400 395 HB3 LEU 56 HB1 LEU 56 63.165 -3.078 7.719 396 HG LEU 56 HG LEU 56 63.933 -5.828 8.190 397 HD11 LEU 56 HD11 LEU 56 61.759 -4.871 10.078 398 HD12 LEU 56 HD12 LEU 56 63.345 -5.478 10.565 399 HD13 LEU 56 HD13 LEU 56 62.202 -6.544 9.765 400 HD21 LEU 56 HD21 LEU 56 62.397 -5.109 6.401 401 HD22 LEU 56 HD22 LEU 56 61.185 -4.673 7.620 402 HD23 LEU 56 HD23 LEU 56 61.680 -6.349 7.421 403 H CYS 57 HN CYS 57 67.302 -3.079 9.174 404 HA CYS 57 HA CYS 57 66.869 -0.227 9.560 405 HB2 CYS 57 HB2 CYS 57 67.810 -1.340 11.336 406 HB3 CYS 57 HB1 CYS 57 68.904 -2.277 10.366 407 H GLN 58 HN GLN 58 67.349 1.122 7.984 408 HA GLN 58 HA GLN 58 68.662 0.379 5.620 409 HB2 GLN 58 HB2 GLN 58 68.338 2.670 4.925 410 HB3 GLN 58 HB1 GLN 58 66.916 2.149 5.821 411 HG2 GLN 58 HG2 GLN 58 68.192 3.229 7.897 412 HG3 GLN 58 HG1 GLN 58 69.056 4.112 6.640 413 HE21 GLN 58 HE21 GLN 58 66.803 4.856 8.683 414 HE22 GLN 58 HE22 GLN 58 65.690 5.695 7.713 415 H TYR 59 HN TYR 59 69.883 2.018 8.472 416 HA TYR 59 HA TYR 59 72.335 2.907 7.237 417 HB2 TYR 59 HB2 TYR 59 70.915 3.345 9.654 418 HB3 TYR 59 HB1 TYR 59 72.574 2.930 10.038 419 HD1 TYR 59 HD1 TYR 59 74.473 4.245 8.966 420 HD2 TYR 59 HD2 TYR 59 70.360 5.499 8.624 421 HE1 TYR 59 HE1 TYR 59 75.206 6.515 8.321 422 HE2 TYR 59 HE2 TYR 59 71.112 7.758 7.983 423 HH TYR 59 HH TYR 59 72.988 8.898 7.116 424 H CYS 60 HN CYS 60 71.286 0.037 8.906 425 HA CYS 60 HA CYS 60 73.755 -0.883 9.856 426 HB2 CYS 60 HB2 CYS 60 71.162 -2.110 9.209 427 HB3 CYS 60 HB1 CYS 60 72.530 -3.189 9.241 428 H ARG 61 HN ARG 61 72.438 -0.686 6.690 429 HA ARG 61 HA ARG 61 73.782 -2.752 5.366 430 HB2 ARG 61 HB2 ARG 61 72.940 0.001 4.425 431 HB3 ARG 61 HB1 ARG 61 73.545 -1.247 3.341 432 HG2 ARG 61 HG2 ARG 61 71.681 -2.734 3.913 433 HG3 ARG 61 HG1 ARG 61 71.116 -1.608 5.142 434 HD2 ARG 61 HD2 ARG 61 70.594 0.052 3.413 435 HD3 ARG 61 HD1 ARG 61 71.236 -1.015 2.166 436 HE ARG 61 HE ARG 61 69.261 -2.426 3.567 437 HH11 ARG 61 HH21 ARG 61 69.604 0.348 1.533 438 HH12 ARG 61 HH22 ARG 61 68.000 0.248 0.889 439 HH21 ARG 61 HH11 ARG 61 67.152 -2.565 2.736 440 HH22 ARG 61 HH12 ARG 61 66.608 -1.405 1.570 441 H TYR 62 HN TYR 62 74.840 0.498 6.227 442 HA TYR 62 HA TYR 62 77.411 0.225 4.867 443 HB2 TYR 62 HB2 TYR 62 76.318 2.419 6.635 444 HB3 TYR 62 HB1 TYR 62 77.848 2.485 5.784 445 HD1 TYR 62 HD1 TYR 62 77.873 2.257 3.235 446 HD2 TYR 62 HD2 TYR 62 74.238 2.973 5.436 447 HE1 TYR 62 HE1 TYR 62 76.751 3.005 1.161 448 HE2 TYR 62 HE2 TYR 62 73.137 3.719 3.369 449 HH TYR 62 HH TYR 62 73.332 4.038 1.190 450 H GLN 63 HN GLN 63 76.311 0.787 8.197 451 HA GLN 63 HA GLN 63 78.575 -0.775 9.279 452 HB2 GLN 63 HB2 GLN 63 77.839 2.050 10.121 453 HB3 GLN 63 HB1 GLN 63 78.870 0.982 11.065 454 HG2 GLN 63 HG2 GLN 63 80.506 0.909 9.198 455 HG3 GLN 63 HG1 GLN 63 79.465 1.962 8.250 456 HE21 GLN 63 HE21 GLN 63 81.761 3.141 8.456 457 HE22 GLN 63 HE22 GLN 63 81.842 4.285 9.706 458 H LYS 64 HN LYS 64 77.710 -2.293 10.456 459 HA LYS 64 HA LYS 64 75.089 -2.511 11.321 460 HB2 LYS 64 HB2 LYS 64 77.545 -3.702 12.609 461 HB3 LYS 64 HB1 LYS 64 75.910 -4.251 12.889 462 HG2 LYS 64 HG2 LYS 64 77.353 -4.328 10.197 463 HG3 LYS 64 HG1 LYS 64 77.195 -5.693 11.283 464 HD2 LYS 64 HD2 LYS 64 74.600 -5.327 11.016 465 HD3 LYS 64 HD1 LYS 64 75.045 -4.362 9.615 466 HE2 LYS 64 HE2 LYS 64 76.448 -6.389 8.867 467 HE3 LYS 64 HE1 LYS 64 75.534 -7.300 10.070 468 HZ1 LYS 64 HZ1 LYS 64 74.024 -5.596 8.247 469 HZ2 LYS 64 HZ2 LYS 64 73.624 -7.110 8.906 470 HZ3 LYS 64 HZ3 LYS 64 74.703 -7.008 7.598 471 H ASP 65 HN ASP 65 73.915 -2.016 13.018 472 HA ASP 65 HA ASP 65 75.091 -0.411 15.228 473 HB2 ASP 65 HB2 ASP 65 72.287 0.100 14.512 474 HB3 ASP 65 HB1 ASP 65 73.524 1.208 15.012 475 H LEU 66 HN LEU 66 74.624 -3.288 15.152 476 HA LEU 66 HA LEU 66 72.213 -3.936 16.542 477 HB2 LEU 66 HB2 LEU 66 74.821 -5.386 16.084 478 HB3 LEU 66 HB1 LEU 66 73.559 -6.113 17.059 479 HG LEU 66 HG LEU 66 72.847 -5.111 14.301 480 HD11 LEU 66 HD11 LEU 66 73.356 -7.489 13.500 481 HD12 LEU 66 HD12 LEU 66 74.357 -7.659 14.938 482 HD13 LEU 66 HD13 LEU 66 74.750 -6.440 13.724 483 HD21 LEU 66 HD21 LEU 66 71.160 -6.138 16.027 484 HD22 LEU 66 HD22 LEU 66 71.956 -7.662 15.669 485 HD23 LEU 66 HD23 LEU 66 71.144 -6.773 14.389 486 H ALA 67 HN ALA 67 74.695 -2.093 17.644 487 HA ALA 67 HA ALA 67 75.262 -3.207 20.180 488 HB1 ALA 67 HB1 ALA 67 76.745 -1.534 20.112 489 HB2 ALA 67 HB2 ALA 67 75.426 -0.388 20.350 490 HB3 ALA 67 HB3 ALA 67 75.925 -0.830 18.717 491 H ILE 68 HN ILE 68 72.960 -0.663 19.157 492 HA ILE 68 HA ILE 68 71.949 -0.243 21.728 493 HB ILE 68 HB ILE 68 69.867 0.645 20.419 494 HG12 ILE 68 HG12 ILE 68 71.805 0.739 18.105 495 HG13 ILE 68 HG11 ILE 68 70.799 -0.682 18.289 496 HG21 ILE 68 HG21 ILE 68 71.380 2.231 21.374 497 HG22 ILE 68 HG22 ILE 68 71.317 2.667 19.674 498 HG23 ILE 68 HG23 ILE 68 72.690 1.759 20.288 499 HD11 ILE 68 HD11 ILE 68 69.596 2.087 18.294 500 HD12 ILE 68 HD12 ILE 68 68.789 0.548 18.031 501 HD13 ILE 68 HD13 ILE 68 69.871 1.192 16.803 502 H HIS 69 HN HIS 69 70.641 -2.414 19.198 503 HA HIS 69 HA HIS 69 68.448 -3.307 20.736 504 HB2 HIS 69 HB2 HIS 69 69.060 -3.672 18.206 505 HB3 HIS 69 HB1 HIS 69 69.873 -5.109 18.810 506 HD2 HIS 69 HD2 HIS 69 66.163 -3.637 19.012 507 HE1 HIS 69 HE1 HIS 69 66.031 -7.845 19.317 508 HE2 HIS 69 HE2 HIS 69 64.623 -5.736 19.189 509 H HIS 70 HN HIS 70 68.338 -4.661 22.414 510 HA HIS 70 HA HIS 70 70.269 -6.764 22.879 511 HB2 HIS 70 HB2 HIS 70 71.508 -4.850 23.805 512 HB3 HIS 70 HB1 HIS 70 70.118 -4.427 24.804 513 HD2 HIS 70 HD2 HIS 70 70.150 -5.668 27.271 514 HE1 HIS 70 HE1 HIS 70 72.864 -8.761 26.351 515 HE2 HIS 70 HE2 HIS 70 71.490 -7.699 28.201 516 H GLN 71 HN GLN 71 69.337 -8.395 23.951 517 HA GLN 71 HA GLN 71 66.561 -8.288 24.563 518 HB2 GLN 71 HB2 GLN 71 68.710 -10.345 25.120 519 HB3 GLN 71 HB1 GLN 71 67.035 -10.581 25.600 520 HG2 GLN 71 HG2 GLN 71 67.708 -9.875 22.743 521 HG3 GLN 71 HG1 GLN 71 67.844 -11.537 23.302 522 HE21 GLN 71 HE21 GLN 71 65.694 -9.378 21.887 523 HE22 GLN 71 HE22 GLN 71 64.240 -10.150 22.301 524 H HIS 72 HN HIS 72 65.512 -7.901 26.420 525 HA HIS 72 HA HIS 72 66.776 -6.580 28.559 526 HB2 HIS 72 HB2 HIS 72 64.079 -7.939 28.388 527 HB3 HIS 72 HB1 HIS 72 64.593 -6.937 29.745 528 HD2 HIS 72 HD2 HIS 72 63.252 -6.505 26.124 529 HE1 HIS 72 HE1 HIS 72 64.219 -2.657 27.567 530 HE2 HIS 72 HE2 HIS 72 63.088 -3.935 25.687 531 H HIS 73 HN HIS 73 65.745 -9.948 28.163 532 HA HIS 73 HA HIS 73 66.441 -10.755 30.821 533 HB2 HIS 73 HB2 HIS 73 66.047 -12.384 28.298 534 HB3 HIS 73 HB1 HIS 73 66.178 -13.048 29.927 535 HD2 HIS 73 HD2 HIS 73 63.464 -11.662 27.618 536 HE1 HIS 73 HE1 HIS 73 61.829 -11.591 31.508 537 HE2 HIS 73 HE2 HIS 73 61.293 -11.360 29.036 538 H HIS 74 HN HIS 74 68.346 -11.433 31.620 539 HA HIS 74 HA HIS 74 70.756 -10.941 30.205 540 HB2 HIS 74 HB2 HIS 74 70.211 -12.450 32.770 541 HB3 HIS 74 HB1 HIS 74 71.828 -12.079 32.168 542 HD2 HIS 74 HD2 HIS 74 69.031 -10.366 34.180 543 HE1 HIS 74 HE1 HIS 74 71.745 -7.330 33.070 544 HE2 HIS 74 HE2 HIS 74 69.745 -7.878 34.532 545 H GLY 75 HN GLY 75 68.965 -13.901 30.964 546 HA2 GLY 75 HA2 GLY 75 68.998 -15.971 29.943 547 HA3 GLY 75 HA1 GLY 75 70.022 -15.281 28.689 548 H GLY 76 HN GLY 76 71.062 -17.455 28.891 549 HA2 GLY 76 HA2 GLY 76 72.508 -18.209 31.211 550 HA3 GLY 76 HA1 GLY 76 72.793 -18.809 29.581 551 H SER 77 HN SER 77 74.808 -18.200 31.522 552 HA SER 77 HA SER 77 76.018 -15.663 30.966 553 HB2 SER 77 HB2 SER 77 77.889 -16.495 32.245 554 HB3 SER 77 HB1 SER 77 76.404 -16.993 33.049 555 HG SER 77 HG SER 77 76.648 -19.000 31.819 556 H MET 78 HN MET 78 78.163 -15.424 29.963 557 HA MET 78 HA MET 78 78.214 -16.463 27.331 558 HB2 MET 78 HB2 MET 78 80.271 -15.003 29.005 559 HB3 MET 78 HB1 MET 78 80.583 -15.480 27.340 560 HG2 MET 78 HG2 MET 78 78.776 -14.097 26.522 561 HG3 MET 78 HG1 MET 78 78.208 -13.782 28.165 562 HE1 MET 78 HE1 MET 78 78.347 -11.150 28.294 563 HE2 MET 78 HE2 MET 78 78.322 -11.503 26.568 564 HE3 MET 78 HE3 MET 78 79.449 -10.306 27.199 565 H GLY 79 HN GLY 79 79.979 -17.307 30.278 566 HA2 GLY 79 HA2 GLY 79 81.011 -19.281 30.884 567 HA3 GLY 79 HA1 GLY 79 80.412 -20.005 29.395 568 H MET 80 HN MET 80 82.159 -17.050 29.101 569 HA MET 80 HA MET 80 84.119 -18.171 27.420 570 HB2 MET 80 HB2 MET 80 83.500 -15.815 27.255 571 HB3 MET 80 HB1 MET 80 84.049 -15.520 28.899 572 HG2 MET 80 HG2 MET 80 86.322 -15.630 28.294 573 HG3 MET 80 HG1 MET 80 86.003 -16.578 26.847 574 HE1 MET 80 HE1 MET 80 85.747 -12.048 27.412 575 HE2 MET 80 HE2 MET 80 86.986 -13.118 28.058 576 HE3 MET 80 HE3 MET 80 85.330 -13.238 28.650 577 H SER 81 HN SER 81 84.137 -17.292 30.845 578 HA SER 81 HA SER 81 86.269 -19.163 31.418 579 HB2 SER 81 HB2 SER 81 87.735 -17.418 32.457 580 HB3 SER 81 HB1 SER 81 87.651 -17.319 30.700 581 HG SER 81 HG SER 81 85.655 -15.891 31.660 582 H GLY 82 HN GLY 82 86.703 -19.312 33.732 583 HA2 GLY 82 HA2 GLY 82 84.322 -19.290 35.264 584 HA3 GLY 82 HA1 GLY 82 85.942 -19.597 35.883 585 H SER 83 HN SER 83 87.043 -17.071 35.024 586 HA SER 83 HA SER 83 85.541 -14.938 36.292 587 HB2 SER 83 HB2 SER 83 87.339 -14.514 37.993 588 HB3 SER 83 HB1 SER 83 86.396 -15.970 38.294 589 HG SER 83 HG SER 83 88.992 -15.780 38.035 590 H GLY 84 HN GLY 84 86.829 -12.895 36.327 591 HA2 GLY 84 HA2 GLY 84 88.289 -11.366 35.385 592 HA3 GLY 84 HA1 GLY 84 89.190 -12.698 34.675 593 H THR 85 HN THR 85 85.752 -12.440 34.212 594 HA THR 85 HA THR 85 85.929 -12.519 31.389 595 HB THR 85 HB THR 85 83.516 -11.474 32.868 596 HG1 THR 85 HG1 THR 85 84.344 -14.179 32.679 597 HG21 THR 85 HG21 THR 85 82.273 -12.542 31.161 598 HG22 THR 85 HG22 THR 85 83.628 -13.557 30.681 599 HG23 THR 85 HG23 THR 85 83.630 -11.840 30.290 600 H GLY 86 HN GLY 86 86.020 -10.935 29.886 601 HA2 GLY 86 HA2 GLY 86 86.738 -8.283 30.647 602 HA3 GLY 86 HA1 GLY 86 86.424 -8.841 29.007 603 H TYR 87 HN TYR 87 85.605 -6.351 30.357 604 HA TYR 87 HA TYR 87 82.875 -6.260 29.448 605 HB2 TYR 87 HB2 TYR 87 82.374 -7.213 31.593 606 HB3 TYR 87 HB1 TYR 87 83.478 -6.119 32.405 607 HD1 TYR 87 HD2 TYR 87 80.347 -6.241 30.362 608 HD2 TYR 87 HD1 TYR 87 82.690 -3.907 33.130 609 HE1 TYR 87 HE2 TYR 87 78.485 -4.630 30.596 610 HE2 TYR 87 HE1 TYR 87 80.826 -2.310 33.351 611 HH TYR 87 HH TYR 87 78.441 -1.962 31.306 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 49.178 -5.815 27.665 2 H2 MET 1 HT2 MET 1 49.269 -4.175 28.104 3 H3 MET 1 HT3 MET 1 48.277 -5.239 28.981 4 HA MET 1 HA MET 1 50.739 -6.411 29.108 5 HB2 MET 1 HB2 MET 1 50.904 -3.389 29.292 6 HB3 MET 1 HB1 MET 1 52.058 -4.453 30.097 7 HG2 MET 1 HG2 MET 1 52.952 -5.234 28.073 8 HG3 MET 1 HG1 MET 1 51.499 -4.847 27.163 9 HE1 MET 1 HE1 MET 1 54.651 -1.813 28.648 10 HE2 MET 1 HE2 MET 1 54.405 -3.450 29.242 11 HE3 MET 1 HE3 MET 1 53.283 -2.174 29.704 12 H GLY 2 HN GLY 2 48.619 -3.934 30.487 13 HA2 GLY 2 HA2 GLY 2 47.461 -3.892 32.478 14 HA3 GLY 2 HA1 GLY 2 47.984 -5.548 32.766 15 H ALA 3 HN ALA 3 50.397 -3.179 32.059 16 HA ALA 3 HA ALA 3 50.933 -2.400 34.791 17 HB1 ALA 3 HB1 ALA 3 51.817 -4.662 34.897 18 HB2 ALA 3 HB2 ALA 3 53.152 -3.516 34.910 19 HB3 ALA 3 HB3 ALA 3 52.759 -4.397 33.431 20 HA PRO 4 HA PRO 4 52.720 0.291 31.314 21 HB2 PRO 4 HB2 PRO 4 51.595 2.513 32.890 22 HB3 PRO 4 HB1 PRO 4 51.426 2.165 31.163 23 HG2 PRO 4 HG2 PRO 4 49.415 1.879 32.930 24 HG3 PRO 4 HG1 PRO 4 49.570 0.899 31.465 25 HD2 PRO 4 HD2 PRO 4 50.115 0.148 34.300 26 HD3 PRO 4 HD1 PRO 4 49.523 -0.838 32.946 27 H VAL 5 HN VAL 5 54.599 1.567 31.498 28 HA VAL 5 HA VAL 5 55.658 2.226 34.177 29 HB VAL 5 HB VAL 5 57.175 0.644 32.055 30 HG11 VAL 5 HG11 VAL 5 58.658 0.411 34.342 31 HG12 VAL 5 HG12 VAL 5 58.114 2.077 34.489 32 HG13 VAL 5 HG13 VAL 5 58.994 1.562 33.059 33 HG21 VAL 5 HG21 VAL 5 57.273 -1.088 33.955 34 HG22 VAL 5 HG22 VAL 5 55.771 -0.937 33.058 35 HG23 VAL 5 HG23 VAL 5 55.912 -0.226 34.661 36 HA PRO 6 HA PRO 6 56.141 5.614 30.854 37 HB2 PRO 6 HB2 PRO 6 55.831 7.304 33.276 38 HB3 PRO 6 HB1 PRO 6 55.086 7.476 31.678 39 HG2 PRO 6 HG2 PRO 6 53.725 6.625 33.813 40 HG3 PRO 6 HG1 PRO 6 53.380 6.050 32.174 41 HD2 PRO 6 HD2 PRO 6 54.725 4.645 34.423 42 HD3 PRO 6 HD1 PRO 6 53.760 3.984 33.086 43 H TYR 7 HN TYR 7 57.372 5.385 34.151 44 HA TYR 7 HA TYR 7 59.599 7.054 33.910 45 HB2 TYR 7 HB2 TYR 7 58.866 4.751 35.682 46 HB3 TYR 7 HB1 TYR 7 60.481 5.409 35.785 47 HD1 TYR 7 HD2 TYR 7 56.866 6.201 36.173 48 HD2 TYR 7 HD1 TYR 7 60.882 7.666 36.742 49 HE1 TYR 7 HE2 TYR 7 56.005 8.061 37.541 50 HE2 TYR 7 HE1 TYR 7 60.007 9.517 38.106 51 HH TYR 7 HH TYR 7 57.187 10.652 38.081 52 HA PRO 8 HA PRO 8 62.232 4.405 31.340 53 HB2 PRO 8 HB2 PRO 8 64.770 5.125 32.014 54 HB3 PRO 8 HB1 PRO 8 63.681 6.220 31.145 55 HG2 PRO 8 HG2 PRO 8 64.287 6.093 34.060 56 HG3 PRO 8 HG1 PRO 8 64.276 7.500 32.979 57 HD2 PRO 8 HD2 PRO 8 62.172 6.947 34.572 58 HD3 PRO 8 HD1 PRO 8 61.954 7.641 32.952 59 H ASP 9 HN ASP 9 64.380 2.946 31.686 60 HA ASP 9 HA ASP 9 64.386 1.509 34.257 61 HB2 ASP 9 HB2 ASP 9 63.686 0.215 31.613 62 HB3 ASP 9 HB1 ASP 9 64.095 -0.670 33.084 63 HA PRO 10 HA PRO 10 68.588 2.022 32.051 64 HB2 PRO 10 HB2 PRO 10 69.472 2.214 34.877 65 HB3 PRO 10 HB1 PRO 10 69.929 3.207 33.483 66 HG2 PRO 10 HG2 PRO 10 68.303 4.091 35.410 67 HG3 PRO 10 HG1 PRO 10 68.143 4.599 33.722 68 HD2 PRO 10 HD2 PRO 10 66.445 2.738 35.305 69 HD3 PRO 10 HD1 PRO 10 66.011 3.796 33.944 70 H LEU 11 HN LEU 11 67.618 0.276 34.950 71 HA LEU 11 HA LEU 11 69.685 -1.666 34.928 72 HB2 LEU 11 HB2 LEU 11 66.914 -1.655 36.135 73 HB3 LEU 11 HB1 LEU 11 68.025 -2.990 36.372 74 HG LEU 11 HG LEU 11 68.674 -0.089 37.073 75 HD11 LEU 11 HD11 LEU 11 67.375 -2.234 38.744 76 HD12 LEU 11 HD12 LEU 11 66.901 -0.551 38.531 77 HD13 LEU 11 HD13 LEU 11 68.325 -0.950 39.488 78 HD21 LEU 11 HD21 LEU 11 70.771 -0.937 37.341 79 HD22 LEU 11 HD22 LEU 11 70.232 -2.609 37.337 80 HD23 LEU 11 HD23 LEU 11 70.135 -1.658 38.811 81 H GLU 12 HN GLU 12 66.449 -1.626 33.556 82 HA GLU 12 HA GLU 12 67.093 -3.940 31.811 83 HB2 GLU 12 HB2 GLU 12 64.502 -3.613 33.359 84 HB3 GLU 12 HB1 GLU 12 64.910 -4.928 32.259 85 HG2 GLU 12 HG2 GLU 12 66.903 -5.392 33.859 86 HG3 GLU 12 HG1 GLU 12 66.078 -4.312 34.981 87 HA PRO 13 HA PRO 13 65.190 -0.291 29.483 88 HB2 PRO 13 HB2 PRO 13 66.990 -1.249 27.337 89 HB3 PRO 13 HB1 PRO 13 66.734 0.396 27.944 90 HG2 PRO 13 HG2 PRO 13 68.968 -0.976 28.454 91 HG3 PRO 13 HG1 PRO 13 68.270 0.165 29.615 92 HD2 PRO 13 HD2 PRO 13 68.209 -2.828 29.644 93 HD3 PRO 13 HD1 PRO 13 68.316 -1.682 30.994 94 H ARG 14 HN ARG 14 63.562 -0.445 27.951 95 HA ARG 14 HA ARG 14 62.476 -3.040 27.434 96 HB2 ARG 14 HB2 ARG 14 61.739 -0.303 26.368 97 HB3 ARG 14 HB1 ARG 14 60.804 -1.760 26.063 98 HG2 ARG 14 HG2 ARG 14 60.347 -2.043 28.460 99 HG3 ARG 14 HG1 ARG 14 61.393 -0.685 28.855 100 HD2 ARG 14 HD2 ARG 14 59.042 -0.012 28.935 101 HD3 ARG 14 HD1 ARG 14 59.855 0.839 27.631 102 HE ARG 14 HE ARG 14 58.704 -1.553 26.628 103 HH11 ARG 14 HH21 ARG 14 57.856 1.549 27.899 104 HH12 ARG 14 HH22 ARG 14 56.383 1.671 26.997 105 HH21 ARG 14 HH11 ARG 14 56.774 -1.408 25.449 106 HH22 ARG 14 HH12 ARG 14 55.772 -0.005 25.609 107 H GLY 15 HN GLY 15 62.388 -4.213 25.570 108 HA2 GLY 15 HA2 GLY 15 64.528 -3.878 23.689 109 HA3 GLY 15 HA1 GLY 15 63.272 -5.113 23.637 110 H GLY 16 HN GLY 16 63.527 -4.556 21.266 111 HA2 GLY 16 HA2 GLY 16 62.414 -3.800 19.385 112 HA3 GLY 16 HA1 GLY 16 61.298 -2.940 20.435 113 H LYS 17 HN LYS 17 64.720 -2.403 20.805 114 HA LYS 17 HA LYS 17 64.469 0.378 20.390 115 HB2 LYS 17 HB2 LYS 17 66.919 -1.416 20.335 116 HB3 LYS 17 HB1 LYS 17 66.961 0.341 20.445 117 HG2 LYS 17 HG2 LYS 17 65.768 0.271 22.601 118 HG3 LYS 17 HG1 LYS 17 65.626 -1.478 22.494 119 HD2 LYS 17 HD2 LYS 17 68.104 -1.683 22.565 120 HD3 LYS 17 HD1 LYS 17 68.237 0.070 22.697 121 HE2 LYS 17 HE2 LYS 17 66.991 -0.005 24.841 122 HE3 LYS 17 HE1 LYS 17 66.858 -1.759 24.698 123 HZ1 LYS 17 HZ1 LYS 17 68.751 -1.733 25.853 124 HZ2 LYS 17 HZ2 LYS 17 69.126 -0.129 25.436 125 HZ3 LYS 17 HZ3 LYS 17 69.479 -1.394 24.359 126 H HIS 18 HN HIS 18 66.067 -2.130 18.460 127 HA HIS 18 HA HIS 18 66.798 -0.658 16.297 128 HB2 HIS 18 HB2 HIS 18 66.769 -3.363 16.853 129 HB3 HIS 18 HB1 HIS 18 65.702 -3.259 15.460 130 HD2 HIS 18 HD2 HIS 18 67.528 -0.914 13.830 131 HE1 HIS 18 HE1 HIS 18 70.576 -3.812 14.063 132 H ILE 19 HN ILE 19 63.577 -1.615 17.049 133 HA ILE 19 HA ILE 19 62.570 -0.708 14.426 134 HB ILE 19 HB ILE 19 61.081 -2.184 16.623 135 HG12 ILE 19 HG12 ILE 19 62.713 -3.762 15.881 136 HG13 ILE 19 HG11 ILE 19 61.190 -4.217 15.145 137 HG21 ILE 19 HG21 ILE 19 59.516 -2.758 14.656 138 HG22 ILE 19 HG22 ILE 19 60.266 -1.410 13.812 139 HG23 ILE 19 HG23 ILE 19 59.418 -1.140 15.333 140 HD11 ILE 19 HD11 ILE 19 62.057 -2.880 13.060 141 HD12 ILE 19 HD12 ILE 19 62.743 -4.461 13.397 142 HD13 ILE 19 HD13 ILE 19 63.630 -3.014 13.844 143 H CYS 20 HN CYS 20 62.069 1.354 14.359 144 HA CYS 20 HA CYS 20 61.409 2.856 16.753 145 HB2 CYS 20 HB2 CYS 20 62.617 3.924 14.920 146 HB3 CYS 20 HB1 CYS 20 61.305 3.586 13.836 147 H ALA 21 HN ALA 21 59.341 3.814 17.207 148 HA ALA 21 HA ALA 21 57.091 2.121 16.553 149 HB1 ALA 21 HB1 ALA 21 55.876 3.498 18.111 150 HB2 ALA 21 HB2 ALA 21 57.132 4.734 18.062 151 HB3 ALA 21 HB3 ALA 21 57.467 3.163 18.792 152 H ILE 22 HN ILE 22 58.505 4.861 15.196 153 HA ILE 22 HA ILE 22 56.073 5.683 13.727 154 HB ILE 22 HB ILE 22 58.543 7.250 14.537 155 HG12 ILE 22 HG12 ILE 22 55.718 8.113 15.094 156 HG13 ILE 22 HG11 ILE 22 56.378 6.827 16.089 157 HG21 ILE 22 HG21 ILE 22 56.403 7.926 12.508 158 HG22 ILE 22 HG22 ILE 22 58.125 8.271 12.451 159 HG23 ILE 22 HG23 ILE 22 57.087 9.213 13.490 160 HD11 ILE 22 HD11 ILE 22 56.664 9.191 16.997 161 HD12 ILE 22 HD12 ILE 22 57.806 9.471 15.687 162 HD13 ILE 22 HD13 ILE 22 58.144 8.237 16.905 163 H CYS 23 HN CYS 23 59.487 6.292 13.062 164 HA CYS 23 HA CYS 23 59.278 5.992 10.302 165 HB2 CYS 23 HB2 CYS 23 61.891 5.573 11.647 166 HB3 CYS 23 HB1 CYS 23 61.504 6.579 10.253 167 H GLY 24 HN GLY 24 59.429 3.603 12.667 168 HA2 GLY 24 HA2 GLY 24 59.309 1.312 12.386 169 HA3 GLY 24 HA1 GLY 24 59.640 1.513 10.687 170 H ASN 25 HN ASN 25 62.167 3.200 11.544 171 HA ASN 25 HA ASN 25 63.866 1.258 12.834 172 HB2 ASN 25 HB2 ASN 25 63.473 1.041 9.952 173 HB3 ASN 25 HB1 ASN 25 65.164 1.211 10.348 174 HD21 ASN 25 HD21 ASN 25 62.580 -1.024 10.238 175 HD22 ASN 25 HD22 ASN 25 63.333 -2.281 11.093 176 H ASN 26 HN ASN 26 63.434 4.318 12.718 177 HA ASN 26 HA ASN 26 66.249 5.187 12.170 178 HB2 ASN 26 HB2 ASN 26 63.824 6.858 12.713 179 HB3 ASN 26 HB1 ASN 26 65.438 7.494 12.540 180 HD21 ASN 26 HD21 ASN 26 65.665 8.384 10.519 181 HD22 ASN 26 HD22 ASN 26 65.115 7.681 9.075 182 H ALA 27 HN ALA 27 64.694 3.816 14.604 183 HA ALA 27 HA ALA 27 65.491 5.462 16.833 184 HB1 ALA 27 HB1 ALA 27 63.598 4.170 17.287 185 HB2 ALA 27 HB2 ALA 27 64.858 3.279 18.115 186 HB3 ALA 27 HB3 ALA 27 64.274 2.725 16.540 187 H GLU 28 HN GLU 28 67.706 5.541 15.719 188 HA GLU 28 HA GLU 28 69.595 4.266 17.311 189 HB2 GLU 28 HB2 GLU 28 70.781 3.026 15.375 190 HB3 GLU 28 HB1 GLU 28 69.481 2.213 16.212 191 HG2 GLU 28 HG2 GLU 28 67.971 2.545 14.392 192 HG3 GLU 28 HG1 GLU 28 69.006 3.760 13.658 193 H ASP 29 HN ASP 29 68.760 5.962 14.383 194 HA ASP 29 HA ASP 29 71.428 7.043 13.926 195 HB2 ASP 29 HB2 ASP 29 68.864 7.851 12.559 196 HB3 ASP 29 HB1 ASP 29 70.516 7.979 11.948 197 H TYR 30 HN TYR 30 70.279 9.635 12.982 198 HA TYR 30 HA TYR 30 70.692 11.155 15.392 199 HB2 TYR 30 HB2 TYR 30 69.925 12.057 12.612 200 HB3 TYR 30 HB1 TYR 30 70.475 13.096 13.909 201 HD1 TYR 30 HD2 TYR 30 72.823 12.906 14.803 202 HD2 TYR 30 HD1 TYR 30 71.536 10.646 11.364 203 HE1 TYR 30 HE2 TYR 30 75.176 12.434 14.221 204 HE2 TYR 30 HE1 TYR 30 73.888 10.178 10.798 205 HH TYR 30 HH TYR 30 76.348 10.398 12.804 206 H LYS 31 HN LYS 31 67.996 9.622 14.241 207 HA LYS 31 HA LYS 31 65.730 9.813 14.527 208 HB2 LYS 31 HB2 LYS 31 66.631 11.390 16.984 209 HB3 LYS 31 HB1 LYS 31 65.005 10.799 16.730 210 HG2 LYS 31 HG2 LYS 31 65.828 8.459 16.673 211 HG3 LYS 31 HG1 LYS 31 67.477 9.036 16.903 212 HD2 LYS 31 HD2 LYS 31 66.838 9.980 19.119 213 HD3 LYS 31 HD1 LYS 31 65.186 9.419 18.884 214 HE2 LYS 31 HE2 LYS 31 65.989 7.077 18.837 215 HE3 LYS 31 HE1 LYS 31 67.645 7.640 19.070 216 HZ1 LYS 31 HZ1 LYS 31 66.647 6.985 21.153 217 HZ2 LYS 31 HZ2 LYS 31 65.373 8.086 20.924 218 HZ3 LYS 31 HZ3 LYS 31 66.960 8.652 21.152 219 H HIS 32 HN HIS 32 66.565 11.439 12.602 220 HA HIS 32 HA HIS 32 65.509 14.130 12.967 221 HB2 HIS 32 HB2 HIS 32 67.105 12.712 10.926 222 HB3 HIS 32 HB1 HIS 32 66.063 14.014 10.355 223 HD2 HIS 32 HD2 HIS 32 67.603 16.299 10.308 224 HE1 HIS 32 HE1 HIS 32 69.738 15.663 13.899 225 HE2 HIS 32 HE2 HIS 32 69.369 17.277 11.973 226 H THR 33 HN THR 33 64.602 11.140 11.335 227 HA THR 33 HA THR 33 62.394 12.336 9.883 228 HB THR 33 HB THR 33 61.924 10.068 9.159 229 HG1 THR 33 HG1 THR 33 63.915 9.244 10.984 230 HG21 THR 33 HG21 THR 33 64.945 10.265 9.322 231 HG22 THR 33 HG22 THR 33 63.995 11.253 8.213 232 HG23 THR 33 HG23 THR 33 63.977 9.501 8.068 233 H ASP 34 HN ASP 34 62.889 11.383 13.057 234 HA ASP 34 HA ASP 34 60.394 10.242 13.735 235 HB2 ASP 34 HB2 ASP 34 62.562 11.652 15.247 236 HB3 ASP 34 HB1 ASP 34 61.031 11.315 16.051 237 H MET 35 HN MET 35 61.389 13.498 13.163 238 HA MET 35 HA MET 35 59.025 14.733 14.327 239 HB2 MET 35 HB2 MET 35 61.262 15.836 12.604 240 HB3 MET 35 HB1 MET 35 59.944 16.809 13.234 241 HG2 MET 35 HG2 MET 35 60.611 16.303 15.544 242 HG3 MET 35 HG1 MET 35 61.878 15.226 14.968 243 HE1 MET 35 HE1 MET 35 63.748 16.019 13.310 244 HE2 MET 35 HE2 MET 35 64.331 16.097 14.969 245 HE3 MET 35 HE3 MET 35 64.700 17.402 13.849 246 H ASP 36 HN ASP 36 57.361 15.734 13.177 247 HA ASP 36 HA ASP 36 56.589 14.387 10.740 248 HB2 ASP 36 HB2 ASP 36 54.996 14.954 12.571 249 HB3 ASP 36 HB1 ASP 36 55.201 16.659 12.179 250 H LEU 37 HN LEU 37 57.495 14.971 8.892 251 HA LEU 37 HA LEU 37 58.409 17.662 8.323 252 HB2 LEU 37 HB2 LEU 37 58.107 15.286 6.467 253 HB3 LEU 37 HB1 LEU 37 59.027 16.739 6.129 254 HG LEU 37 HG LEU 37 59.649 14.694 8.326 255 HD11 LEU 37 HD11 LEU 37 60.180 13.760 6.156 256 HD12 LEU 37 HD12 LEU 37 61.672 14.190 6.983 257 HD13 LEU 37 HD13 LEU 37 61.058 15.221 5.697 258 HD21 LEU 37 HD21 LEU 37 60.630 16.608 9.226 259 HD22 LEU 37 HD22 LEU 37 60.956 17.328 7.651 260 HD23 LEU 37 HD23 LEU 37 61.943 15.991 8.229 261 H THR 38 HN THR 38 57.554 19.089 6.829 262 HA THR 38 HA THR 38 54.738 19.205 6.681 263 HB THR 38 HB THR 38 56.867 20.676 5.095 264 HG1 THR 38 HG1 THR 38 57.038 21.271 7.154 265 HG21 THR 38 HG21 THR 38 54.867 22.410 4.975 266 HG22 THR 38 HG22 THR 38 53.867 20.967 5.079 267 HG23 THR 38 HG23 THR 38 55.024 21.147 3.762 268 H TYR 39 HN TYR 39 57.205 18.298 4.293 269 HA TYR 39 HA TYR 39 55.298 16.607 2.863 270 HB2 TYR 39 HB2 TYR 39 55.348 17.683 0.818 271 HB3 TYR 39 HB1 TYR 39 55.329 19.060 1.899 272 HD1 TYR 39 HD1 TYR 39 57.560 20.125 2.602 273 HD2 TYR 39 HD2 TYR 39 57.260 17.368 -0.699 274 HE1 TYR 39 HE1 TYR 39 59.718 20.931 1.717 275 HE2 TYR 39 HE2 TYR 39 59.411 18.182 -1.565 276 HH TYR 39 HH TYR 39 61.391 19.305 -0.825 277 H THR 40 HN THR 40 56.330 15.200 1.343 278 HA THR 40 HA THR 40 59.268 14.905 1.517 279 HB THR 40 HB THR 40 59.125 12.574 2.072 280 HG1 THR 40 HG1 THR 40 56.532 12.967 1.289 281 HG21 THR 40 HG21 THR 40 58.302 12.613 4.298 282 HG22 THR 40 HG22 THR 40 57.078 13.820 3.917 283 HG23 THR 40 HG23 THR 40 58.779 14.277 3.980 284 H ASP 41 HN ASP 41 60.119 13.458 -0.110 285 HA ASP 41 HA ASP 41 58.824 13.844 -2.672 286 HB2 ASP 41 HB2 ASP 41 61.392 12.454 -1.875 287 HB3 ASP 41 HB1 ASP 41 60.863 12.694 -3.538 288 H ARG 42 HN ARG 42 57.319 12.502 -3.434 289 HA ARG 42 HA ARG 42 56.733 9.968 -2.313 290 HB2 ARG 42 HB2 ARG 42 55.950 11.241 -4.950 291 HB3 ARG 42 HB1 ARG 42 55.333 9.682 -4.413 292 HG2 ARG 42 HG2 ARG 42 54.299 10.713 -2.436 293 HG3 ARG 42 HG1 ARG 42 55.032 12.266 -2.823 294 HD2 ARG 42 HD2 ARG 42 53.036 10.819 -4.600 295 HD3 ARG 42 HD1 ARG 42 52.597 12.083 -3.471 296 HE ARG 42 HE ARG 42 53.875 12.409 -6.047 297 HH11 ARG 42 HH21 ARG 42 53.445 13.816 -2.916 298 HH12 ARG 42 HH22 ARG 42 53.767 15.427 -3.459 299 HH21 ARG 42 HH11 ARG 42 54.296 14.502 -6.754 300 HH22 ARG 42 HH12 ARG 42 54.249 15.816 -5.626 301 H ASP 43 HN ASP 43 58.601 10.973 -5.138 302 HA ASP 43 HA ASP 43 59.113 8.287 -6.055 303 HB2 ASP 43 HB2 ASP 43 60.428 10.929 -6.734 304 HB3 ASP 43 HB1 ASP 43 60.741 9.408 -7.566 305 H TYR 44 HN TYR 44 60.274 6.951 -4.854 306 HA TYR 44 HA TYR 44 62.369 7.839 -3.058 307 HB2 TYR 44 HB2 TYR 44 61.443 5.078 -3.874 308 HB3 TYR 44 HB1 TYR 44 62.637 5.403 -2.634 309 HD1 TYR 44 HD2 TYR 44 62.004 6.694 -0.551 310 HD2 TYR 44 HD1 TYR 44 59.032 5.436 -3.413 311 HE1 TYR 44 HE2 TYR 44 60.224 7.071 1.117 312 HE2 TYR 44 HE1 TYR 44 57.270 5.816 -1.740 313 HH TYR 44 HH TYR 44 57.369 7.604 0.679 314 H LYS 45 HN LYS 45 64.527 7.742 -3.377 315 HA LYS 45 HA LYS 45 65.549 7.449 -6.054 316 HB2 LYS 45 HB2 LYS 45 66.924 7.847 -3.382 317 HB3 LYS 45 HB1 LYS 45 67.762 7.848 -4.929 318 HG2 LYS 45 HG2 LYS 45 66.441 9.799 -5.680 319 HG3 LYS 45 HG1 LYS 45 65.522 9.777 -4.178 320 HD2 LYS 45 HD2 LYS 45 67.593 10.275 -2.897 321 HD3 LYS 45 HD1 LYS 45 68.529 10.259 -4.389 322 HE2 LYS 45 HE2 LYS 45 67.243 12.199 -5.224 323 HE3 LYS 45 HE1 LYS 45 66.275 12.201 -3.750 324 HZ1 LYS 45 HZ1 LYS 45 67.824 13.476 -2.862 325 HZ2 LYS 45 HZ2 LYS 45 68.847 13.289 -4.207 326 HZ3 LYS 45 HZ3 LYS 45 68.902 12.168 -2.930 327 H ASN 46 HN ASN 46 66.824 5.845 -6.896 328 HA ASN 46 HA ASN 46 66.511 3.212 -5.777 329 HB2 ASN 46 HB2 ASN 46 66.427 3.600 -8.195 330 HB3 ASN 46 HB1 ASN 46 68.096 4.161 -8.180 331 HD21 ASN 46 HD21 ASN 46 69.389 2.515 -9.028 332 HD22 ASN 46 HD22 ASN 46 69.226 0.866 -8.657 333 H CYS 47 HN CYS 47 67.604 3.615 -3.748 334 HA CYS 47 HA CYS 47 70.473 4.050 -3.700 335 HB2 CYS 47 HB2 CYS 47 68.541 3.258 -1.509 336 HB3 CYS 47 HB1 CYS 47 70.222 3.733 -1.273 337 HG CYS 47 HG CYS 47 68.510 5.811 -1.013 338 H GLU 48 HN GLU 48 72.039 2.549 -3.156 339 HA GLU 48 HA GLU 48 71.592 -0.146 -4.010 340 HB2 GLU 48 HB2 GLU 48 73.947 1.195 -2.659 341 HB3 GLU 48 HB1 GLU 48 73.972 -0.475 -3.218 342 HG2 GLU 48 HG2 GLU 48 73.604 0.248 -5.535 343 HG3 GLU 48 HG1 GLU 48 73.426 1.922 -5.013 344 H SER 49 HN SER 49 72.163 -2.055 -2.688 345 HA SER 49 HA SER 49 72.017 -1.906 0.183 346 HB2 SER 49 HB2 SER 49 69.644 -1.576 -0.276 347 HB3 SER 49 HB1 SER 49 69.634 -2.965 -1.361 348 HG SER 49 HG SER 49 70.211 -4.256 0.440 349 H TYR 50 HN TYR 50 73.690 -3.247 0.430 350 HA TYR 50 HA TYR 50 74.004 -5.669 -1.156 351 HB2 TYR 50 HB2 TYR 50 75.570 -4.241 0.947 352 HB3 TYR 50 HB1 TYR 50 75.944 -5.918 0.605 353 HD1 TYR 50 HD1 TYR 50 76.814 -6.604 -1.637 354 HD2 TYR 50 HD2 TYR 50 75.931 -2.469 -0.773 355 HE1 TYR 50 HE1 TYR 50 78.068 -5.909 -3.639 356 HE2 TYR 50 HE2 TYR 50 77.187 -1.795 -2.784 357 HH TYR 50 HH TYR 50 77.776 -3.109 -5.119 358 H HIS 51 HN HIS 51 72.214 -4.832 1.539 359 HA HIS 51 HA HIS 51 71.177 -5.954 3.252 360 HB2 HIS 51 HB2 HIS 51 71.389 -8.281 1.307 361 HB3 HIS 51 HB1 HIS 51 70.296 -8.180 2.678 362 HD2 HIS 51 HD2 HIS 51 70.499 -6.940 -0.983 363 HE1 HIS 51 HE1 HIS 51 67.084 -5.159 0.740 364 HE2 HIS 51 HE2 HIS 51 68.332 -5.561 -1.434 365 H LYS 52 HN LYS 52 73.803 -5.653 3.827 366 HA LYS 52 HA LYS 52 75.284 -8.005 4.313 367 HB2 LYS 52 HB2 LYS 52 75.318 -5.359 5.792 368 HB3 LYS 52 HB1 LYS 52 76.533 -6.617 5.968 369 HG2 LYS 52 HG2 LYS 52 77.100 -6.402 3.542 370 HG3 LYS 52 HG1 LYS 52 75.891 -5.131 3.392 371 HD2 LYS 52 HD2 LYS 52 77.163 -3.743 5.035 372 HD3 LYS 52 HD1 LYS 52 78.375 -5.009 5.157 373 HE2 LYS 52 HE2 LYS 52 78.899 -4.736 2.748 374 HE3 LYS 52 HE1 LYS 52 77.690 -3.457 2.633 375 HZ1 LYS 52 HZ1 LYS 52 79.438 -2.161 3.105 376 HZ2 LYS 52 HZ2 LYS 52 80.330 -3.416 3.824 377 HZ3 LYS 52 HZ3 LYS 52 79.121 -2.615 4.708 378 H CYS 53 HN CYS 53 73.139 -6.148 6.467 379 HA CYS 53 HA CYS 53 72.383 -8.537 7.925 380 HB2 CYS 53 HB2 CYS 53 74.589 -7.851 8.998 381 HB3 CYS 53 HB1 CYS 53 73.788 -6.355 9.481 382 HG CYS 53 HG CYS 53 73.049 -9.193 10.546 383 H SER 54 HN SER 54 70.679 -8.150 9.384 384 HA SER 54 HA SER 54 68.520 -7.397 9.648 385 HB2 SER 54 HB2 SER 54 68.512 -5.326 10.950 386 HB3 SER 54 HB1 SER 54 69.752 -6.451 11.492 387 HG SER 54 HG SER 54 71.274 -5.165 10.731 388 H ASP 55 HN ASP 55 68.431 -7.380 7.228 389 HA ASP 55 HA ASP 55 68.607 -5.181 5.579 390 HB2 ASP 55 HB2 ASP 55 66.384 -7.226 5.411 391 HB3 ASP 55 HB1 ASP 55 67.111 -6.318 4.087 392 H LEU 56 HN LEU 56 66.238 -5.830 8.002 393 HA LEU 56 HA LEU 56 64.186 -4.064 7.158 394 HB2 LEU 56 HB2 LEU 56 64.925 -4.685 10.025 395 HB3 LEU 56 HB1 LEU 56 63.346 -4.222 9.415 396 HG LEU 56 HG LEU 56 64.786 -6.883 8.953 397 HD11 LEU 56 HD11 LEU 56 62.148 -6.316 10.332 398 HD12 LEU 56 HD12 LEU 56 63.674 -6.620 11.163 399 HD13 LEU 56 HD13 LEU 56 62.945 -7.878 10.172 400 HD21 LEU 56 HD21 LEU 56 63.630 -6.616 6.908 401 HD22 LEU 56 HD22 LEU 56 62.271 -5.790 7.669 402 HD23 LEU 56 HD23 LEU 56 62.494 -7.521 7.904 403 H CYS 57 HN CYS 57 67.112 -3.691 9.146 404 HA CYS 57 HA CYS 57 66.615 -0.828 9.576 405 HB2 CYS 57 HB2 CYS 57 67.528 -2.006 11.404 406 HB3 CYS 57 HB1 CYS 57 68.764 -2.760 10.435 407 H GLN 58 HN GLN 58 66.980 0.453 7.898 408 HA GLN 58 HA GLN 58 68.577 -0.273 5.684 409 HB2 GLN 58 HB2 GLN 58 68.329 2.287 5.164 410 HB3 GLN 58 HB1 GLN 58 66.926 1.229 5.080 411 HG2 GLN 58 HG2 GLN 58 66.047 2.027 7.119 412 HG3 GLN 58 HG1 GLN 58 67.598 2.681 7.645 413 HE21 GLN 58 HE21 GLN 58 66.844 4.868 7.889 414 HE22 GLN 58 HE22 GLN 58 66.364 5.812 6.563 415 H TYR 59 HN TYR 59 69.265 1.621 8.549 416 HA TYR 59 HA TYR 59 71.677 2.796 7.586 417 HB2 TYR 59 HB2 TYR 59 70.046 2.877 9.944 418 HB3 TYR 59 HB1 TYR 59 71.744 2.778 10.374 419 HD1 TYR 59 HD1 TYR 59 69.193 4.746 8.509 420 HD2 TYR 59 HD2 TYR 59 73.297 4.633 9.828 421 HE1 TYR 59 HE1 TYR 59 69.459 7.125 7.915 422 HE2 TYR 59 HE2 TYR 59 73.544 7.014 9.228 423 HH TYR 59 HH TYR 59 71.481 8.647 7.258 424 H CYS 60 HN CYS 60 70.933 -0.241 9.191 425 HA CYS 60 HA CYS 60 73.453 -0.849 10.231 426 HB2 CYS 60 HB2 CYS 60 71.054 -2.349 9.437 427 HB3 CYS 60 HB1 CYS 60 72.529 -3.275 9.520 428 H ARG 61 HN ARG 61 72.162 -0.933 7.007 429 HA ARG 61 HA ARG 61 73.978 -2.699 5.775 430 HB2 ARG 61 HB2 ARG 61 72.568 -0.290 4.609 431 HB3 ARG 61 HB1 ARG 61 73.333 -1.562 3.678 432 HG2 ARG 61 HG2 ARG 61 71.773 -3.242 4.546 433 HG3 ARG 61 HG1 ARG 61 71.042 -2.067 5.630 434 HD2 ARG 61 HD2 ARG 61 70.238 -0.770 3.702 435 HD3 ARG 61 HD1 ARG 61 70.974 -1.938 2.604 436 HE ARG 61 HE ARG 61 69.317 -3.377 4.329 437 HH11 ARG 61 HH21 ARG 61 69.061 -0.887 1.944 438 HH12 ARG 61 HH22 ARG 61 67.443 -1.302 1.485 439 HH21 ARG 61 HH11 ARG 61 67.197 -3.922 3.745 440 HH22 ARG 61 HH12 ARG 61 66.385 -3.023 2.507 441 H TYR 62 HN TYR 62 74.187 0.764 6.443 442 HA TYR 62 HA TYR 62 76.773 1.045 5.094 443 HB2 TYR 62 HB2 TYR 62 75.042 3.022 6.570 444 HB3 TYR 62 HB1 TYR 62 76.550 3.417 5.770 445 HD1 TYR 62 HD2 TYR 62 76.784 3.194 3.269 446 HD2 TYR 62 HD1 TYR 62 72.996 2.566 5.239 447 HE1 TYR 62 HE2 TYR 62 75.613 3.398 1.111 448 HE2 TYR 62 HE1 TYR 62 71.842 2.785 3.074 449 HH TYR 62 HH TYR 62 73.556 3.762 0.158 450 H GLN 63 HN GLN 63 75.453 1.656 8.327 451 HA GLN 63 HA GLN 63 78.085 1.085 9.577 452 HB2 GLN 63 HB2 GLN 63 76.174 3.347 10.227 453 HB3 GLN 63 HB1 GLN 63 77.526 2.878 11.250 454 HG2 GLN 63 HG2 GLN 63 79.112 3.418 9.434 455 HG3 GLN 63 HG1 GLN 63 77.767 3.830 8.373 456 HE21 GLN 63 HE21 GLN 63 79.389 5.891 8.574 457 HE22 GLN 63 HE22 GLN 63 78.871 7.052 9.699 458 H LYS 64 HN LYS 64 77.850 -0.651 10.742 459 HA LYS 64 HA LYS 64 75.439 -1.807 11.574 460 HB2 LYS 64 HB2 LYS 64 78.120 -2.137 12.916 461 HB3 LYS 64 HB1 LYS 64 76.764 -3.236 13.025 462 HG2 LYS 64 HG2 LYS 64 78.276 -2.635 10.445 463 HG3 LYS 64 HG1 LYS 64 78.612 -3.992 11.496 464 HD2 LYS 64 HD2 LYS 64 76.303 -4.876 11.092 465 HD3 LYS 64 HD1 LYS 64 75.974 -3.535 10.016 466 HE2 LYS 64 HE2 LYS 64 77.766 -4.260 8.499 467 HE3 LYS 64 HE1 LYS 64 78.165 -5.594 9.582 468 HZ1 LYS 64 HZ1 LYS 64 75.772 -6.262 9.325 469 HZ2 LYS 64 HZ2 LYS 64 76.777 -6.497 7.977 470 HZ3 LYS 64 HZ3 LYS 64 75.699 -5.184 8.020 471 H ASP 65 HN ASP 65 74.115 -1.527 13.107 472 HA ASP 65 HA ASP 65 74.743 0.317 15.360 473 HB2 ASP 65 HB2 ASP 65 71.946 -0.275 14.673 474 HB3 ASP 65 HB1 ASP 65 72.667 1.214 15.223 475 H LEU 66 HN LEU 66 74.704 -2.867 14.878 476 HA LEU 66 HA LEU 66 72.798 -4.047 16.478 477 HB2 LEU 66 HB2 LEU 66 75.665 -4.830 15.980 478 HB3 LEU 66 HB1 LEU 66 74.563 -5.878 16.848 479 HG LEU 66 HG LEU 66 73.697 -4.852 14.143 480 HD11 LEU 66 HD11 LEU 66 74.772 -6.949 13.166 481 HD12 LEU 66 HD12 LEU 66 75.740 -7.042 14.633 482 HD13 LEU 66 HD13 LEU 66 75.889 -5.649 13.560 483 HD21 LEU 66 HD21 LEU 66 72.268 -6.375 15.718 484 HD22 LEU 66 HD22 LEU 66 73.411 -7.642 15.294 485 HD23 LEU 66 HD23 LEU 66 72.444 -6.874 14.042 486 H ALA 67 HN ALA 67 74.933 -1.800 17.758 487 HA ALA 67 HA ALA 67 75.691 -2.948 20.210 488 HB1 ALA 67 HB1 ALA 67 76.564 -0.806 19.223 489 HB2 ALA 67 HB2 ALA 67 76.100 -0.685 20.921 490 HB3 ALA 67 HB3 ALA 67 75.033 -0.052 19.669 491 H ILE 68 HN ILE 68 72.866 -0.989 19.276 492 HA ILE 68 HA ILE 68 71.719 -0.900 21.827 493 HB ILE 68 HB ILE 68 69.500 -0.567 20.475 494 HG12 ILE 68 HG12 ILE 68 71.269 0.222 18.203 495 HG13 ILE 68 HG11 ILE 68 70.925 -1.490 18.313 496 HG21 ILE 68 HG21 ILE 68 71.903 1.258 20.405 497 HG22 ILE 68 HG22 ILE 68 70.483 1.348 21.453 498 HG23 ILE 68 HG23 ILE 68 70.346 1.750 19.743 499 HD11 ILE 68 HD11 ILE 68 69.326 -0.276 16.864 500 HD12 ILE 68 HD12 ILE 68 68.804 0.673 18.255 501 HD13 ILE 68 HD13 ILE 68 68.526 -1.074 18.210 502 H HIS 69 HN HIS 69 69.944 -2.652 19.327 503 HA HIS 69 HA HIS 69 68.916 -4.532 21.224 504 HB2 HIS 69 HB2 HIS 69 67.538 -4.003 19.345 505 HB3 HIS 69 HB1 HIS 69 68.823 -4.412 18.208 506 HD2 HIS 69 HD2 HIS 69 68.775 -7.054 17.384 507 HE1 HIS 69 HE1 HIS 69 66.202 -8.552 20.376 508 HE2 HIS 69 HE2 HIS 69 67.459 -9.136 18.250 509 H HIS 70 HN HIS 70 69.817 -6.352 21.938 510 HA HIS 70 HA HIS 70 72.369 -7.259 20.977 511 HB2 HIS 70 HB2 HIS 70 70.420 -8.420 22.979 512 HB3 HIS 70 HB1 HIS 70 72.015 -9.098 22.645 513 HD2 HIS 70 HD2 HIS 70 74.176 -7.649 23.746 514 HE1 HIS 70 HE1 HIS 70 71.845 -4.664 25.608 515 HE2 HIS 70 HE2 HIS 70 74.186 -5.625 25.391 516 H GLN 71 HN GLN 71 72.863 -9.044 19.771 517 HA GLN 71 HA GLN 71 70.835 -10.968 18.956 518 HB2 GLN 71 HB2 GLN 71 70.855 -8.842 17.349 519 HB3 GLN 71 HB1 GLN 71 72.314 -9.604 16.724 520 HG2 GLN 71 HG2 GLN 71 70.939 -11.732 16.421 521 HG3 GLN 71 HG1 GLN 71 69.509 -10.769 16.790 522 HE21 GLN 71 HE21 GLN 71 69.742 -11.994 14.269 523 HE22 GLN 71 HE22 GLN 71 69.971 -10.796 13.090 524 H HIS 72 HN HIS 72 71.702 -12.885 18.284 525 HA HIS 72 HA HIS 72 74.554 -13.179 17.746 526 HB2 HIS 72 HB2 HIS 72 73.244 -14.133 20.276 527 HB3 HIS 72 HB1 HIS 72 74.567 -15.056 19.565 528 HD2 HIS 72 HD2 HIS 72 77.106 -13.755 19.634 529 HE1 HIS 72 HE1 HIS 72 75.833 -10.464 21.946 530 HE2 HIS 72 HE2 HIS 72 77.858 -11.649 20.984 531 H HIS 73 HN HIS 73 75.053 -15.078 16.692 532 HA HIS 73 HA HIS 73 72.898 -16.348 15.291 533 HB2 HIS 73 HB2 HIS 73 75.862 -16.937 15.413 534 HB3 HIS 73 HB1 HIS 73 74.733 -17.758 14.335 535 HD2 HIS 73 HD2 HIS 73 73.708 -16.131 12.217 536 HE1 HIS 73 HE1 HIS 73 76.253 -12.844 12.960 537 HE2 HIS 73 HE2 HIS 73 74.590 -13.841 11.320 538 H HIS 74 HN HIS 74 71.968 -18.311 15.613 539 HA HIS 74 HA HIS 74 72.103 -19.510 18.181 540 HB2 HIS 74 HB2 HIS 74 70.898 -20.473 15.580 541 HB3 HIS 74 HB1 HIS 74 70.687 -21.294 17.127 542 HD2 HIS 74 HD2 HIS 74 69.165 -18.334 15.190 543 HE1 HIS 74 HE1 HIS 74 67.705 -18.071 19.139 544 HE2 HIS 74 HE2 HIS 74 67.448 -17.171 16.782 545 H GLY 75 HN GLY 75 73.443 -20.417 15.024 546 HA2 GLY 75 HA2 GLY 75 74.573 -22.896 15.917 547 HA3 GLY 75 HA1 GLY 75 74.942 -22.062 14.411 548 H GLY 76 HN GLY 76 77.118 -22.003 14.366 549 HA2 GLY 76 HA2 GLY 76 79.228 -21.209 14.842 550 HA3 GLY 76 HA1 GLY 76 78.522 -20.226 16.119 551 H SER 77 HN SER 77 80.627 -20.922 17.151 552 HA SER 77 HA SER 77 81.025 -23.609 17.991 553 HB2 SER 77 HB2 SER 77 82.846 -21.952 17.956 554 HB3 SER 77 HB1 SER 77 82.035 -21.031 19.219 555 HG SER 77 HG SER 77 82.839 -22.366 20.618 556 H MET 78 HN MET 78 80.507 -24.641 19.877 557 HA MET 78 HA MET 78 79.147 -25.261 21.613 558 HB2 MET 78 HB2 MET 78 79.816 -22.423 22.479 559 HB3 MET 78 HB1 MET 78 78.991 -23.592 23.499 560 HG2 MET 78 HG2 MET 78 81.621 -24.343 22.239 561 HG3 MET 78 HG1 MET 78 81.597 -23.343 23.681 562 HE1 MET 78 HE1 MET 78 81.868 -24.516 25.991 563 HE2 MET 78 HE2 MET 78 80.513 -25.514 26.505 564 HE3 MET 78 HE3 MET 78 80.207 -23.931 25.802 565 H GLY 79 HN GLY 79 77.381 -25.332 19.974 566 HA2 GLY 79 HA2 GLY 79 75.492 -23.224 19.747 567 HA3 GLY 79 HA1 GLY 79 75.213 -24.909 19.318 568 H MET 80 HN MET 80 73.339 -23.125 20.606 569 HA MET 80 HA MET 80 73.198 -23.572 23.390 570 HB2 MET 80 HB2 MET 80 71.904 -21.787 22.317 571 HB3 MET 80 HB1 MET 80 71.003 -22.966 21.374 572 HG2 MET 80 HG2 MET 80 69.744 -23.682 23.234 573 HG3 MET 80 HG1 MET 80 70.930 -23.105 24.398 574 HE1 MET 80 HE1 MET 80 68.502 -22.096 21.577 575 HE2 MET 80 HE2 MET 80 67.594 -20.783 22.316 576 HE3 MET 80 HE3 MET 80 67.488 -22.401 22.998 577 H SER 81 HN SER 81 71.926 -25.341 20.611 578 HA SER 81 HA SER 81 70.403 -27.230 22.083 579 HB2 SER 81 HB2 SER 81 71.571 -27.222 19.306 580 HB3 SER 81 HB1 SER 81 70.693 -28.612 19.937 581 HG SER 81 HG SER 81 69.020 -27.511 19.271 582 H GLY 82 HN GLY 82 70.885 -29.338 22.689 583 HA2 GLY 82 HA2 GLY 82 73.449 -30.545 22.295 584 HA3 GLY 82 HA1 GLY 82 73.299 -29.863 23.911 585 H SER 83 HN SER 83 73.684 -32.450 23.935 586 HA SER 83 HA SER 83 71.486 -34.169 23.590 587 HB2 SER 83 HB2 SER 83 73.785 -34.381 25.546 588 HB3 SER 83 HB1 SER 83 72.696 -35.693 25.104 589 HG SER 83 HG SER 83 73.486 -35.649 23.049 590 H GLY 84 HN GLY 84 72.543 -32.268 26.392 591 HA2 GLY 84 HA2 GLY 84 70.692 -33.286 28.257 592 HA3 GLY 84 HA1 GLY 84 71.475 -31.712 28.353 593 H THR 85 HN THR 85 70.492 -30.573 25.978 594 HA THR 85 HA THR 85 67.842 -29.771 26.827 595 HB THR 85 HB THR 85 68.001 -28.083 25.192 596 HG1 THR 85 HG1 THR 85 68.832 -28.452 23.306 597 HG21 THR 85 HG21 THR 85 70.034 -27.023 25.664 598 HG22 THR 85 HG22 THR 85 70.942 -28.533 25.654 599 HG23 THR 85 HG23 THR 85 69.884 -28.147 27.013 600 H GLY 86 HN GLY 86 66.033 -29.680 25.237 601 HA2 GLY 86 HA2 GLY 86 65.481 -32.296 24.212 602 HA3 GLY 86 HA1 GLY 86 64.451 -30.877 24.054 603 H TYR 87 HN TYR 87 64.676 -32.628 21.951 604 HA TYR 87 HA TYR 87 66.692 -32.039 20.067 605 HB2 TYR 87 HB2 TYR 87 63.845 -32.959 19.623 606 HB3 TYR 87 HB1 TYR 87 65.101 -32.968 18.403 607 HD1 TYR 87 HD1 TYR 87 67.127 -34.449 18.653 608 HD2 TYR 87 HD2 TYR 87 63.830 -34.667 21.427 609 HE1 TYR 87 HE1 TYR 87 67.936 -36.637 19.462 610 HE2 TYR 87 HE2 TYR 87 64.652 -36.853 22.221 611 HH TYR 87 HH TYR 87 66.478 -38.785 20.739 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 50.937 7.040 37.144 2 H2 MET 1 HT2 MET 1 50.469 6.753 35.536 3 H3 MET 1 HT3 MET 1 49.849 8.092 36.378 4 HA MET 1 HA MET 1 52.456 7.725 35.111 5 HB2 MET 1 HB2 MET 1 50.495 9.997 35.550 6 HB3 MET 1 HB1 MET 1 52.105 10.245 34.874 7 HG2 MET 1 HG2 MET 1 51.618 9.027 32.922 8 HG3 MET 1 HG1 MET 1 50.297 8.155 33.679 9 HE1 MET 1 HE1 MET 1 50.188 12.555 32.283 10 HE2 MET 1 HE2 MET 1 51.620 11.589 32.612 11 HE3 MET 1 HE3 MET 1 50.675 12.239 33.949 12 H GLY 2 HN GLY 2 51.012 9.640 37.751 13 HA2 GLY 2 HA2 GLY 2 53.463 10.598 38.773 14 HA3 GLY 2 HA1 GLY 2 51.933 10.564 39.645 15 H ALA 3 HN ALA 3 51.469 7.783 39.623 16 HA ALA 3 HA ALA 3 53.095 6.987 41.827 17 HB1 ALA 3 HB1 ALA 3 51.364 5.602 42.213 18 HB2 ALA 3 HB2 ALA 3 51.562 4.825 40.643 19 HB3 ALA 3 HB3 ALA 3 50.595 6.292 40.783 20 HA PRO 4 HA PRO 4 56.257 4.522 39.785 21 HB2 PRO 4 HB2 PRO 4 55.439 1.930 40.919 22 HB3 PRO 4 HB1 PRO 4 56.957 2.820 41.127 23 HG2 PRO 4 HG2 PRO 4 55.102 2.557 43.072 24 HG3 PRO 4 HG1 PRO 4 56.205 3.934 42.944 25 HD2 PRO 4 HD2 PRO 4 53.295 3.795 42.338 26 HD3 PRO 4 HD1 PRO 4 54.298 5.156 42.882 27 H VAL 5 HN VAL 5 56.549 3.358 37.898 28 HA VAL 5 HA VAL 5 54.190 2.676 36.388 29 HB VAL 5 HB VAL 5 56.097 2.004 34.660 30 HG11 VAL 5 HG11 VAL 5 55.410 4.806 35.572 31 HG12 VAL 5 HG12 VAL 5 54.755 3.914 34.193 32 HG13 VAL 5 HG13 VAL 5 56.417 4.492 34.162 33 HG21 VAL 5 HG21 VAL 5 57.835 2.179 36.589 34 HG22 VAL 5 HG22 VAL 5 57.684 3.925 36.356 35 HG23 VAL 5 HG23 VAL 5 58.233 2.905 35.034 36 HA PRO 6 HA PRO 6 54.267 -1.745 37.242 37 HB2 PRO 6 HB2 PRO 6 53.600 -2.876 34.796 38 HB3 PRO 6 HB1 PRO 6 52.436 -2.246 35.976 39 HG2 PRO 6 HG2 PRO 6 53.465 -1.019 33.485 40 HG3 PRO 6 HG1 PRO 6 51.865 -0.900 34.231 41 HD2 PRO 6 HD2 PRO 6 53.709 1.101 34.357 42 HD3 PRO 6 HD1 PRO 6 52.488 0.830 35.617 43 H TYR 7 HN TYR 7 56.075 -0.537 34.496 44 HA TYR 7 HA TYR 7 58.028 -1.165 33.472 45 HB2 TYR 7 HB2 TYR 7 58.831 -0.625 35.743 46 HB3 TYR 7 HB1 TYR 7 58.641 -2.293 36.219 47 HD1 TYR 7 HD2 TYR 7 60.388 -0.067 33.770 48 HD2 TYR 7 HD1 TYR 7 60.461 -3.892 35.760 49 HE1 TYR 7 HE2 TYR 7 62.638 -0.508 32.864 50 HE2 TYR 7 HE1 TYR 7 62.703 -4.318 34.845 51 HH TYR 7 HH TYR 7 64.678 -2.780 34.030 52 HA PRO 8 HA PRO 8 56.659 -5.640 33.033 53 HB2 PRO 8 HB2 PRO 8 55.936 -5.684 30.412 54 HB3 PRO 8 HB1 PRO 8 54.842 -5.184 31.711 55 HG2 PRO 8 HG2 PRO 8 56.382 -3.547 29.792 56 HG3 PRO 8 HG1 PRO 8 54.743 -3.312 30.421 57 HD2 PRO 8 HD2 PRO 8 56.956 -1.942 31.328 58 HD3 PRO 8 HD1 PRO 8 55.483 -2.190 32.287 59 H ASP 9 HN ASP 9 57.376 -7.233 31.270 60 HA ASP 9 HA ASP 9 59.765 -6.766 29.805 61 HB2 ASP 9 HB2 ASP 9 60.130 -7.407 32.587 62 HB3 ASP 9 HB1 ASP 9 60.674 -8.758 31.603 63 HA PRO 10 HA PRO 10 58.589 -11.531 29.713 64 HB2 PRO 10 HB2 PRO 10 55.733 -11.409 30.490 65 HB3 PRO 10 HB1 PRO 10 56.963 -12.619 30.893 66 HG2 PRO 10 HG2 PRO 10 56.048 -10.867 32.682 67 HG3 PRO 10 HG1 PRO 10 57.722 -11.446 32.695 68 HD2 PRO 10 HD2 PRO 10 56.624 -8.831 31.811 69 HD3 PRO 10 HD1 PRO 10 58.181 -9.188 32.583 70 H LEU 11 HN LEU 11 56.186 -9.018 29.232 71 HA LEU 11 HA LEU 11 54.945 -10.130 26.933 72 HB2 LEU 11 HB2 LEU 11 55.109 -7.303 27.986 73 HB3 LEU 11 HB1 LEU 11 54.133 -7.733 26.596 74 HG LEU 11 HG LEU 11 53.833 -9.021 29.354 75 HD11 LEU 11 HD11 LEU 11 52.473 -6.587 28.209 76 HD12 LEU 11 HD12 LEU 11 53.264 -6.783 29.773 77 HD13 LEU 11 HD13 LEU 11 51.718 -7.570 29.460 78 HD21 LEU 11 HD21 LEU 11 52.606 -10.486 28.067 79 HD22 LEU 11 HD22 LEU 11 52.277 -9.315 26.796 80 HD23 LEU 11 HD23 LEU 11 51.372 -9.258 28.300 81 H GLU 12 HN GLU 12 57.542 -7.802 27.347 82 HA GLU 12 HA GLU 12 58.443 -8.187 24.549 83 HB2 GLU 12 HB2 GLU 12 58.133 -5.477 25.896 84 HB3 GLU 12 HB1 GLU 12 58.739 -5.774 24.269 85 HG2 GLU 12 HG2 GLU 12 56.424 -6.852 23.804 86 HG3 GLU 12 HG1 GLU 12 55.924 -6.114 25.325 87 HA PRO 13 HA PRO 13 61.885 -8.477 27.834 88 HB2 PRO 13 HB2 PRO 13 62.915 -10.464 25.883 89 HB3 PRO 13 HB1 PRO 13 62.791 -10.575 27.648 90 HG2 PRO 13 HG2 PRO 13 61.161 -11.924 26.016 91 HG3 PRO 13 HG1 PRO 13 60.630 -11.300 27.586 92 HD2 PRO 13 HD2 PRO 13 60.019 -10.280 24.848 93 HD3 PRO 13 HD1 PRO 13 59.032 -10.248 26.318 94 H ARG 14 HN ARG 14 61.924 -8.437 24.307 95 HA ARG 14 HA ARG 14 64.581 -7.416 24.017 96 HB2 ARG 14 HB2 ARG 14 62.199 -7.447 22.140 97 HB3 ARG 14 HB1 ARG 14 63.796 -6.870 21.677 98 HG2 ARG 14 HG2 ARG 14 64.780 -9.082 22.086 99 HG3 ARG 14 HG1 ARG 14 63.252 -9.681 22.725 100 HD2 ARG 14 HD2 ARG 14 62.204 -9.438 20.521 101 HD3 ARG 14 HD1 ARG 14 63.680 -8.728 19.869 102 HE ARG 14 HE ARG 14 64.357 -11.219 20.950 103 HH11 ARG 14 HH21 ARG 14 62.363 -9.884 18.461 104 HH12 ARG 14 HH22 ARG 14 62.501 -11.261 17.420 105 HH21 ARG 14 HH11 ARG 14 64.534 -13.031 19.601 106 HH22 ARG 14 HH12 ARG 14 63.731 -13.043 18.066 107 H GLY 15 HN GLY 15 65.292 -5.337 23.780 108 HA2 GLY 15 HA2 GLY 15 63.884 -3.269 25.081 109 HA3 GLY 15 HA1 GLY 15 65.322 -3.056 24.087 110 H GLY 16 HN GLY 16 64.278 -4.060 21.652 111 HA2 GLY 16 HA2 GLY 16 62.988 -3.475 19.826 112 HA3 GLY 16 HA1 GLY 16 61.850 -2.711 20.927 113 H LYS 17 HN LYS 17 65.176 -1.769 21.163 114 HA LYS 17 HA LYS 17 64.572 0.937 20.577 115 HB2 LYS 17 HB2 LYS 17 67.175 -0.598 20.731 116 HB3 LYS 17 HB1 LYS 17 67.092 1.158 20.578 117 HG2 LYS 17 HG2 LYS 17 65.879 1.316 22.712 118 HG3 LYS 17 HG1 LYS 17 65.839 -0.438 22.846 119 HD2 LYS 17 HD2 LYS 17 68.320 -0.473 22.975 120 HD3 LYS 17 HD1 LYS 17 68.346 1.283 22.861 121 HE2 LYS 17 HE2 LYS 17 67.070 1.429 24.980 122 HE3 LYS 17 HE1 LYS 17 67.042 -0.333 25.078 123 HZ1 LYS 17 HZ1 LYS 17 69.007 1.356 26.009 124 HZ2 LYS 17 HZ2 LYS 17 69.677 0.603 24.641 125 HZ3 LYS 17 HZ3 LYS 17 69.068 -0.336 25.919 126 H HIS 18 HN HIS 18 66.335 -1.588 18.830 127 HA HIS 18 HA HIS 18 66.954 -0.271 16.537 128 HB2 HIS 18 HB2 HIS 18 67.023 -2.917 17.297 129 HB3 HIS 18 HB1 HIS 18 65.889 -2.955 15.957 130 HD2 HIS 18 HD2 HIS 18 67.615 -0.669 14.096 131 HE1 HIS 18 HE1 HIS 18 70.674 -3.540 14.349 132 H ILE 19 HN ILE 19 63.761 -1.176 17.455 133 HA ILE 19 HA ILE 19 62.687 -0.493 14.786 134 HB ILE 19 HB ILE 19 61.322 -1.894 17.098 135 HG12 ILE 19 HG12 ILE 19 62.966 -3.445 16.287 136 HG13 ILE 19 HG11 ILE 19 61.403 -3.973 15.706 137 HG21 ILE 19 HG21 ILE 19 59.723 -2.564 15.105 138 HG22 ILE 19 HG22 ILE 19 60.304 -1.059 14.402 139 HG23 ILE 19 HG23 ILE 19 59.515 -1.052 15.977 140 HD11 ILE 19 HD11 ILE 19 63.702 -2.806 14.150 141 HD12 ILE 19 HD12 ILE 19 62.069 -2.688 13.498 142 HD13 ILE 19 HD13 ILE 19 62.771 -4.263 13.832 143 H CYS 20 HN CYS 20 62.104 1.505 14.565 144 HA CYS 20 HA CYS 20 61.440 3.187 16.832 145 HB2 CYS 20 HB2 CYS 20 62.555 4.180 14.921 146 HB3 CYS 20 HB1 CYS 20 61.294 3.636 13.855 147 H ALA 21 HN ALA 21 59.351 4.097 17.253 148 HA ALA 21 HA ALA 21 57.185 2.233 16.886 149 HB1 ALA 21 HB1 ALA 21 57.544 3.586 18.952 150 HB2 ALA 21 HB2 ALA 21 55.925 3.758 18.272 151 HB3 ALA 21 HB3 ALA 21 57.124 5.029 18.029 152 H ILE 22 HN ILE 22 58.383 4.890 15.163 153 HA ILE 22 HA ILE 22 55.888 5.326 13.638 154 HB ILE 22 HB ILE 22 58.213 7.173 14.242 155 HG12 ILE 22 HG12 ILE 22 55.317 7.847 14.702 156 HG13 ILE 22 HG11 ILE 22 56.087 6.759 15.840 157 HG21 ILE 22 HG21 ILE 22 56.047 7.414 12.142 158 HG22 ILE 22 HG22 ILE 22 57.733 7.920 12.067 159 HG23 ILE 22 HG23 ILE 22 56.578 8.861 12.980 160 HD11 ILE 22 HD11 ILE 22 57.706 8.405 16.476 161 HD12 ILE 22 HD12 ILE 22 56.150 9.228 16.452 162 HD13 ILE 22 HD13 ILE 22 57.279 9.450 15.117 163 H CYS 23 HN CYS 23 59.258 6.130 12.873 164 HA CYS 23 HA CYS 23 59.051 5.551 10.163 165 HB2 CYS 23 HB2 CYS 23 61.681 5.402 11.527 166 HB3 CYS 23 HB1 CYS 23 61.249 6.215 10.028 167 H GLY 24 HN GLY 24 59.349 3.410 12.737 168 HA2 GLY 24 HA2 GLY 24 59.367 1.110 12.702 169 HA3 GLY 24 HA1 GLY 24 59.612 1.152 10.976 170 H ASN 25 HN ASN 25 62.115 3.047 11.643 171 HA ASN 25 HA ASN 25 63.904 1.254 13.007 172 HB2 ASN 25 HB2 ASN 25 63.478 0.824 10.152 173 HB3 ASN 25 HB1 ASN 25 65.166 1.080 10.513 174 HD21 ASN 25 HD21 ASN 25 62.706 -1.267 10.519 175 HD22 ASN 25 HD22 ASN 25 63.496 -2.432 11.469 176 H ASN 26 HN ASN 26 63.320 4.289 12.605 177 HA ASN 26 HA ASN 26 66.092 5.223 11.975 178 HB2 ASN 26 HB2 ASN 26 63.584 6.817 12.405 179 HB3 ASN 26 HB1 ASN 26 65.168 7.511 12.147 180 HD21 ASN 26 HD21 ASN 26 65.390 8.170 10.037 181 HD22 ASN 26 HD22 ASN 26 64.838 7.313 8.680 182 H ALA 27 HN ALA 27 64.698 3.952 14.533 183 HA ALA 27 HA ALA 27 65.452 5.817 16.623 184 HB1 ALA 27 HB1 ALA 27 63.617 4.527 17.238 185 HB2 ALA 27 HB2 ALA 27 64.911 3.705 18.075 186 HB3 ALA 27 HB3 ALA 27 64.277 3.046 16.557 187 H GLU 28 HN GLU 28 67.659 5.852 15.439 188 HA GLU 28 HA GLU 28 69.568 4.681 17.122 189 HB2 GLU 28 HB2 GLU 28 70.783 3.337 15.290 190 HB3 GLU 28 HB1 GLU 28 69.418 2.594 16.072 191 HG2 GLU 28 HG2 GLU 28 67.999 2.971 14.192 192 HG3 GLU 28 HG1 GLU 28 69.155 4.066 13.448 193 H ASP 29 HN ASP 29 68.607 6.691 14.559 194 HA ASP 29 HA ASP 29 71.184 8.081 14.608 195 HB2 ASP 29 HB2 ASP 29 71.122 6.320 12.723 196 HB3 ASP 29 HB1 ASP 29 69.953 7.360 11.932 197 H TYR 30 HN TYR 30 70.032 9.456 12.012 198 HA TYR 30 HA TYR 30 69.095 11.771 13.254 199 HB2 TYR 30 HB2 TYR 30 68.648 10.811 10.419 200 HB3 TYR 30 HB1 TYR 30 68.428 12.456 10.974 201 HD1 TYR 30 HD1 TYR 30 70.397 13.744 11.932 202 HD2 TYR 30 HD2 TYR 30 70.917 9.979 9.899 203 HE1 TYR 30 HE1 TYR 30 72.797 14.235 11.615 204 HE2 TYR 30 HE2 TYR 30 73.310 10.480 9.597 205 HH TYR 30 HH TYR 30 74.735 13.520 10.796 206 H LYS 31 HN LYS 31 67.170 12.416 13.937 207 HA LYS 31 HA LYS 31 64.839 10.642 13.661 208 HB2 LYS 31 HB2 LYS 31 65.422 12.934 15.566 209 HB3 LYS 31 HB1 LYS 31 63.939 11.988 15.577 210 HG2 LYS 31 HG2 LYS 31 65.251 9.924 16.065 211 HG3 LYS 31 HG1 LYS 31 66.731 10.875 16.069 212 HD2 LYS 31 HD2 LYS 31 65.872 12.199 17.999 213 HD3 LYS 31 HD1 LYS 31 64.392 11.248 17.993 214 HE2 LYS 31 HE2 LYS 31 65.706 9.203 18.493 215 HE3 LYS 31 HE1 LYS 31 67.187 10.160 18.502 216 HZ1 LYS 31 HZ1 LYS 31 65.357 11.435 20.160 217 HZ2 LYS 31 HZ2 LYS 31 66.793 10.642 20.603 218 HZ3 LYS 31 HZ3 LYS 31 65.323 9.789 20.569 219 H HIS 32 HN HIS 32 65.546 12.049 11.390 220 HA HIS 32 HA HIS 32 63.990 14.488 11.194 221 HB2 HIS 32 HB2 HIS 32 65.721 12.894 9.395 222 HB3 HIS 32 HB1 HIS 32 64.458 13.862 8.635 223 HD2 HIS 32 HD2 HIS 32 67.106 14.729 11.516 224 HE1 HIS 32 HE1 HIS 32 66.848 17.950 8.795 225 HE2 HIS 32 HE2 HIS 32 67.976 17.121 10.915 226 H THR 33 HN THR 33 63.577 11.112 10.363 227 HA THR 33 HA THR 33 61.143 11.508 8.860 228 HB THR 33 HB THR 33 61.030 8.973 9.088 229 HG1 THR 33 HG1 THR 33 63.649 9.288 10.074 230 HG21 THR 33 HG21 THR 33 63.405 10.393 7.870 231 HG22 THR 33 HG22 THR 33 61.962 9.781 7.062 232 HG23 THR 33 HG23 THR 33 63.168 8.658 7.687 233 H ASP 34 HN ASP 34 61.937 11.366 12.170 234 HA ASP 34 HA ASP 34 59.611 10.051 13.164 235 HB2 ASP 34 HB2 ASP 34 61.611 11.927 14.362 236 HB3 ASP 34 HB1 ASP 34 60.170 11.491 15.260 237 H MET 35 HN MET 35 60.298 13.340 12.233 238 HA MET 35 HA MET 35 57.855 14.445 13.281 239 HB2 MET 35 HB2 MET 35 59.956 15.473 11.367 240 HB3 MET 35 HB1 MET 35 58.507 16.396 11.754 241 HG2 MET 35 HG2 MET 35 60.251 15.323 13.968 242 HG3 MET 35 HG1 MET 35 60.690 16.810 13.146 243 HE1 MET 35 HE1 MET 35 59.967 19.077 14.222 244 HE2 MET 35 HE2 MET 35 58.241 19.414 14.207 245 HE3 MET 35 HE3 MET 35 59.012 18.768 12.764 246 H ASP 36 HN ASP 36 55.992 14.993 12.181 247 HA ASP 36 HA ASP 36 55.224 13.276 10.044 248 HB2 ASP 36 HB2 ASP 36 53.866 15.757 11.125 249 HB3 ASP 36 HB1 ASP 36 53.119 14.556 10.073 250 H LEU 37 HN LEU 37 54.978 13.637 7.912 251 HA LEU 37 HA LEU 37 55.855 16.221 6.728 252 HB2 LEU 37 HB2 LEU 37 56.425 13.425 5.696 253 HB3 LEU 37 HB1 LEU 37 56.877 14.913 4.888 254 HG LEU 37 HG LEU 37 57.914 13.991 7.623 255 HD11 LEU 37 HD11 LEU 37 58.870 12.577 5.912 256 HD12 LEU 37 HD12 LEU 37 60.098 13.721 6.443 257 HD13 LEU 37 HD13 LEU 37 59.270 13.976 4.912 258 HD21 LEU 37 HD21 LEU 37 58.404 16.516 6.052 259 HD22 LEU 37 HD22 LEU 37 59.731 15.809 6.963 260 HD23 LEU 37 HD23 LEU 37 58.253 16.279 7.791 261 H THR 38 HN THR 38 54.799 16.892 4.924 262 HA THR 38 HA THR 38 52.081 15.941 4.605 263 HB THR 38 HB THR 38 51.735 17.871 3.301 264 HG1 THR 38 HG1 THR 38 54.232 18.762 2.922 265 HG21 THR 38 HG21 THR 38 52.606 18.235 5.750 266 HG22 THR 38 HG22 THR 38 52.489 19.620 4.667 267 HG23 THR 38 HG23 THR 38 54.051 18.860 4.953 268 H TYR 39 HN TYR 39 54.901 14.764 3.501 269 HA TYR 39 HA TYR 39 53.672 13.410 1.220 270 HB2 TYR 39 HB2 TYR 39 55.372 14.025 -0.364 271 HB3 TYR 39 HB1 TYR 39 54.697 15.505 0.283 272 HD1 TYR 39 HD2 TYR 39 55.919 16.769 2.119 273 HD2 TYR 39 HD1 TYR 39 57.751 13.474 0.023 274 HE1 TYR 39 HE2 TYR 39 58.142 17.482 2.913 275 HE2 TYR 39 HE1 TYR 39 59.960 14.202 0.828 276 HH TYR 39 HH TYR 39 61.025 15.535 2.328 277 H THR 40 HN THR 40 54.919 11.583 0.507 278 HA THR 40 HA THR 40 57.084 10.639 2.293 279 HB THR 40 HB THR 40 56.017 8.505 2.631 280 HG1 THR 40 HG1 THR 40 53.598 9.083 1.566 281 HG21 THR 40 HG21 THR 40 53.782 10.489 3.090 282 HG22 THR 40 HG22 THR 40 55.240 10.497 4.079 283 HG23 THR 40 HG23 THR 40 54.202 9.076 4.051 284 H ASP 41 HN ASP 41 58.225 8.794 1.429 285 HA ASP 41 HA ASP 41 58.915 9.172 -1.296 286 HB2 ASP 41 HB2 ASP 41 60.317 8.199 0.661 287 HB3 ASP 41 HB1 ASP 41 59.546 6.671 0.252 288 H ARG 42 HN ARG 42 58.321 8.114 -3.120 289 HA ARG 42 HA ARG 42 55.839 6.748 -3.209 290 HB2 ARG 42 HB2 ARG 42 58.085 7.007 -5.229 291 HB3 ARG 42 HB1 ARG 42 56.558 6.207 -5.584 292 HG2 ARG 42 HG2 ARG 42 55.311 8.272 -5.202 293 HG3 ARG 42 HG1 ARG 42 56.758 9.088 -4.617 294 HD2 ARG 42 HD2 ARG 42 56.455 8.002 -7.438 295 HD3 ARG 42 HD1 ARG 42 56.123 9.667 -6.983 296 HE ARG 42 HE ARG 42 58.707 9.026 -6.086 297 HH11 ARG 42 HH21 ARG 42 56.912 9.429 -9.018 298 HH12 ARG 42 HH22 ARG 42 58.290 9.900 -9.954 299 HH21 ARG 42 HH11 ARG 42 60.515 9.628 -7.312 300 HH22 ARG 42 HH12 ARG 42 60.328 10.011 -8.990 301 H ASP 43 HN ASP 43 59.197 5.646 -3.211 302 HA ASP 43 HA ASP 43 58.516 2.848 -3.551 303 HB2 ASP 43 HB2 ASP 43 61.106 4.224 -2.797 304 HB3 ASP 43 HB1 ASP 43 60.939 2.498 -3.106 305 H TYR 44 HN TYR 44 57.438 1.900 -1.938 306 HA TYR 44 HA TYR 44 57.533 2.641 0.783 307 HB2 TYR 44 HB2 TYR 44 56.751 -0.004 -0.463 308 HB3 TYR 44 HB1 TYR 44 56.404 0.474 1.185 309 HD1 TYR 44 HD1 TYR 44 55.609 1.133 -2.386 310 HD2 TYR 44 HD2 TYR 44 54.697 2.220 1.689 311 HE1 TYR 44 HE1 TYR 44 53.593 2.327 -3.145 312 HE2 TYR 44 HE2 TYR 44 52.684 3.410 0.912 313 HH TYR 44 HH TYR 44 51.762 4.389 -1.038 314 H LYS 45 HN LYS 45 59.150 0.026 -1.001 315 HA LYS 45 HA LYS 45 60.573 -0.968 1.290 316 HB2 LYS 45 HB2 LYS 45 60.968 -1.408 -1.686 317 HB3 LYS 45 HB1 LYS 45 61.870 -2.259 -0.436 318 HG2 LYS 45 HG2 LYS 45 59.760 -3.220 0.457 319 HG3 LYS 45 HG1 LYS 45 58.838 -2.333 -0.755 320 HD2 LYS 45 HD2 LYS 45 59.967 -3.614 -2.561 321 HD3 LYS 45 HD1 LYS 45 60.924 -4.477 -1.363 322 HE2 LYS 45 HE2 LYS 45 58.853 -5.456 -0.413 323 HE3 LYS 45 HE1 LYS 45 57.893 -4.583 -1.607 324 HZ1 LYS 45 HZ1 LYS 45 58.959 -7.058 -1.919 325 HZ2 LYS 45 HZ2 LYS 45 60.042 -6.070 -2.776 326 HZ3 LYS 45 HZ3 LYS 45 58.388 -6.063 -3.167 327 H ASN 46 HN ASN 46 62.640 -0.612 1.922 328 HA ASN 46 HA ASN 46 63.840 1.902 1.222 329 HB2 ASN 46 HB2 ASN 46 64.833 -0.391 2.930 330 HB3 ASN 46 HB1 ASN 46 65.612 1.187 2.811 331 HD21 ASN 46 HD21 ASN 46 63.549 -0.525 4.766 332 HD22 ASN 46 HD22 ASN 46 62.667 0.759 5.438 333 H CYS 47 HN CYS 47 65.862 2.247 0.242 334 HA CYS 47 HA CYS 47 66.470 0.496 -1.950 335 HB2 CYS 47 HB2 CYS 47 66.805 2.810 -2.342 336 HB3 CYS 47 HB1 CYS 47 67.743 3.005 -0.862 337 HG CYS 47 HG CYS 47 69.769 1.989 -1.975 338 H GLU 48 HN GLU 48 67.704 -1.248 -1.883 339 HA GLU 48 HA GLU 48 69.278 -1.947 0.436 340 HB2 GLU 48 HB2 GLU 48 68.944 -3.268 -2.276 341 HB3 GLU 48 HB1 GLU 48 69.861 -3.964 -0.944 342 HG2 GLU 48 HG2 GLU 48 67.840 -4.073 0.442 343 HG3 GLU 48 HG1 GLU 48 66.905 -3.255 -0.802 344 H SER 49 HN SER 49 71.008 -0.559 0.661 345 HA SER 49 HA SER 49 72.633 0.356 -1.465 346 HB2 SER 49 HB2 SER 49 74.225 0.969 0.341 347 HB3 SER 49 HB1 SER 49 72.580 1.509 0.668 348 HG SER 49 HG SER 49 73.179 0.518 2.506 349 H TYR 50 HN TYR 50 72.978 -2.337 0.819 350 HA TYR 50 HA TYR 50 74.750 -3.771 -1.036 351 HB2 TYR 50 HB2 TYR 50 75.499 -3.195 1.843 352 HB3 TYR 50 HB1 TYR 50 76.349 -4.289 0.773 353 HD1 TYR 50 HD1 TYR 50 77.559 -3.426 -1.260 354 HD2 TYR 50 HD2 TYR 50 75.794 -0.738 1.615 355 HE1 TYR 50 HE1 TYR 50 78.877 -1.559 -2.183 356 HE2 TYR 50 HE2 TYR 50 77.114 1.119 0.673 357 HH TYR 50 HH TYR 50 78.883 1.627 -0.661 358 H HIS 51 HN HIS 51 74.766 -5.997 -0.692 359 HA HIS 51 HA HIS 51 72.359 -7.059 0.522 360 HB2 HIS 51 HB2 HIS 51 74.679 -8.521 -0.758 361 HB3 HIS 51 HB1 HIS 51 73.074 -9.176 -0.427 362 HD2 HIS 51 HD2 HIS 51 74.866 -7.286 -3.235 363 HE1 HIS 51 HE1 HIS 51 70.736 -6.932 -4.027 364 HE2 HIS 51 HE2 HIS 51 73.062 -6.582 -4.983 365 H LYS 52 HN LYS 52 73.894 -5.897 2.551 366 HA LYS 52 HA LYS 52 75.569 -7.791 3.867 367 HB2 LYS 52 HB2 LYS 52 74.213 -5.246 4.807 368 HB3 LYS 52 HB1 LYS 52 75.305 -6.171 5.827 369 HG2 LYS 52 HG2 LYS 52 76.292 -5.402 3.109 370 HG3 LYS 52 HG1 LYS 52 76.141 -4.132 4.295 371 HD2 LYS 52 HD2 LYS 52 77.685 -5.202 5.795 372 HD3 LYS 52 HD1 LYS 52 77.649 -6.706 4.881 373 HE2 LYS 52 HE2 LYS 52 78.828 -5.696 3.033 374 HE3 LYS 52 HE1 LYS 52 78.688 -4.092 3.757 375 HZ1 LYS 52 HZ1 LYS 52 80.864 -5.069 4.153 376 HZ2 LYS 52 HZ2 LYS 52 80.146 -6.403 4.922 377 HZ3 LYS 52 HZ3 LYS 52 80.028 -4.856 5.614 378 H CYS 53 HN CYS 53 73.313 -6.555 6.111 379 HA CYS 53 HA CYS 53 71.525 -8.871 6.084 380 HB2 CYS 53 HB2 CYS 53 73.813 -9.282 7.409 381 HB3 CYS 53 HB1 CYS 53 72.981 -8.371 8.659 382 HG CYS 53 HG CYS 53 72.271 -11.207 7.738 383 H SER 54 HN SER 54 70.680 -8.453 8.791 384 HA SER 54 HA SER 54 68.901 -7.341 9.755 385 HB2 SER 54 HB2 SER 54 71.110 -6.446 10.610 386 HB3 SER 54 HB1 SER 54 70.841 -5.057 9.574 387 HG SER 54 HG SER 54 69.149 -6.031 11.636 388 H ASP 55 HN ASP 55 68.335 -7.497 7.180 389 HA ASP 55 HA ASP 55 67.951 -5.337 5.542 390 HB2 ASP 55 HB2 ASP 55 67.330 -7.842 5.238 391 HB3 ASP 55 HB1 ASP 55 65.770 -7.378 5.910 392 H LEU 56 HN LEU 56 66.221 -6.114 8.451 393 HA LEU 56 HA LEU 56 63.970 -4.436 8.146 394 HB2 LEU 56 HB2 LEU 56 65.430 -5.088 10.721 395 HB3 LEU 56 HB1 LEU 56 63.753 -4.604 10.576 396 HG LEU 56 HG LEU 56 64.968 -7.238 9.572 397 HD11 LEU 56 HD11 LEU 56 63.037 -6.716 11.848 398 HD12 LEU 56 HD12 LEU 56 64.723 -7.211 12.002 399 HD13 LEU 56 HD13 LEU 56 63.548 -8.299 11.274 400 HD21 LEU 56 HD21 LEU 56 62.199 -6.079 9.227 401 HD22 LEU 56 HD22 LEU 56 62.412 -7.817 9.377 402 HD23 LEU 56 HD23 LEU 56 63.198 -6.947 8.063 403 H CYS 57 HN CYS 57 67.192 -3.883 9.589 404 HA CYS 57 HA CYS 57 66.669 -0.977 9.858 405 HB2 CYS 57 HB2 CYS 57 67.655 -1.994 11.747 406 HB3 CYS 57 HB1 CYS 57 68.885 -2.785 10.804 407 H GLN 58 HN GLN 58 66.990 0.160 8.069 408 HA GLN 58 HA GLN 58 68.545 -0.764 5.875 409 HB2 GLN 58 HB2 GLN 58 68.225 1.739 5.140 410 HB3 GLN 58 HB1 GLN 58 66.862 0.629 5.144 411 HG2 GLN 58 HG2 GLN 58 65.951 1.561 7.119 412 HG3 GLN 58 HG1 GLN 58 67.470 2.335 7.571 413 HE21 GLN 58 HE21 GLN 58 64.453 2.935 6.173 414 HE22 GLN 58 HE22 GLN 58 64.833 4.388 5.380 415 H TYR 59 HN TYR 59 69.188 1.513 8.477 416 HA TYR 59 HA TYR 59 71.558 2.605 7.382 417 HB2 TYR 59 HB2 TYR 59 69.955 2.904 9.741 418 HB3 TYR 59 HB1 TYR 59 71.653 2.859 10.172 419 HD1 TYR 59 HD2 TYR 59 73.255 4.541 9.237 420 HD2 TYR 59 HD1 TYR 59 69.047 4.728 8.318 421 HE1 TYR 59 HE2 TYR 59 73.533 6.843 8.387 422 HE2 TYR 59 HE1 TYR 59 69.342 7.025 7.473 423 HH TYR 59 HH TYR 59 70.851 8.883 7.680 424 H CYS 60 HN CYS 60 70.922 -0.268 9.280 425 HA CYS 60 HA CYS 60 73.445 -0.696 10.385 426 HB2 CYS 60 HB2 CYS 60 71.129 -2.360 9.697 427 HB3 CYS 60 HB1 CYS 60 72.647 -3.205 9.843 428 H ARG 61 HN ARG 61 72.277 -1.024 7.140 429 HA ARG 61 HA ARG 61 74.003 -2.915 6.031 430 HB2 ARG 61 HB2 ARG 61 72.893 -0.374 4.815 431 HB3 ARG 61 HB1 ARG 61 73.651 -1.661 3.891 432 HG2 ARG 61 HG2 ARG 61 71.919 -3.261 4.599 433 HG3 ARG 61 HG1 ARG 61 71.175 -2.049 5.628 434 HD2 ARG 61 HD2 ARG 61 70.663 -0.671 3.641 435 HD3 ARG 61 HD1 ARG 61 71.395 -1.875 2.600 436 HE ARG 61 HE ARG 61 68.777 -1.956 3.804 437 HH11 ARG 61 HH21 ARG 61 71.380 -3.904 2.627 438 HH12 ARG 61 HH22 ARG 61 70.381 -5.285 2.324 439 HH21 ARG 61 HH11 ARG 61 67.469 -3.753 3.425 440 HH22 ARG 61 HH12 ARG 61 68.164 -5.199 2.777 441 H TYR 62 HN TYR 62 74.513 0.565 6.480 442 HA TYR 62 HA TYR 62 77.143 0.545 5.274 443 HB2 TYR 62 HB2 TYR 62 75.579 2.617 6.802 444 HB3 TYR 62 HB1 TYR 62 77.215 2.891 6.239 445 HD1 TYR 62 HD1 TYR 62 73.709 2.299 5.164 446 HD2 TYR 62 HD2 TYR 62 77.727 3.103 3.811 447 HE1 TYR 62 HE1 TYR 62 72.853 2.846 2.917 448 HE2 TYR 62 HE2 TYR 62 76.854 3.631 1.571 449 HH TYR 62 HH TYR 62 75.059 3.535 0.225 450 H GLN 63 HN GLN 63 75.885 1.112 8.543 451 HA GLN 63 HA GLN 63 78.330 -0.024 9.753 452 HB2 GLN 63 HB2 GLN 63 77.134 2.695 10.401 453 HB3 GLN 63 HB1 GLN 63 78.266 1.858 11.455 454 HG2 GLN 63 HG2 GLN 63 79.984 1.918 9.666 455 HG3 GLN 63 HG1 GLN 63 78.844 2.728 8.601 456 HE21 GLN 63 HE21 GLN 63 80.925 4.238 8.792 457 HE22 GLN 63 HE22 GLN 63 80.784 5.475 9.944 458 H LYS 64 HN LYS 64 77.650 -1.629 10.925 459 HA LYS 64 HA LYS 64 75.056 -2.191 11.757 460 HB2 LYS 64 HB2 LYS 64 77.643 -2.991 13.105 461 HB3 LYS 64 HB1 LYS 64 76.095 -3.748 13.407 462 HG2 LYS 64 HG2 LYS 64 77.545 -3.727 10.720 463 HG3 LYS 64 HG1 LYS 64 77.586 -5.058 11.861 464 HD2 LYS 64 HD2 LYS 64 74.965 -5.076 11.592 465 HD3 LYS 64 HD1 LYS 64 75.269 -4.115 10.158 466 HE2 LYS 64 HE2 LYS 64 76.943 -5.946 9.474 467 HE3 LYS 64 HE1 LYS 64 76.168 -6.932 10.716 468 HZ1 LYS 64 HZ1 LYS 64 74.588 -5.520 8.659 469 HZ2 LYS 64 HZ2 LYS 64 74.133 -6.841 9.626 470 HZ3 LYS 64 HZ3 LYS 64 75.249 -7.054 8.362 471 H ASP 65 HN ASP 65 73.815 -1.768 13.420 472 HA ASP 65 HA ASP 65 74.769 0.110 15.518 473 HB2 ASP 65 HB2 ASP 65 71.897 0.003 14.855 474 HB3 ASP 65 HB1 ASP 65 72.875 1.354 15.351 475 H LEU 66 HN LEU 66 74.298 -3.025 15.232 476 HA LEU 66 HA LEU 66 72.208 -3.771 16.909 477 HB2 LEU 66 HB2 LEU 66 74.888 -5.078 16.430 478 HB3 LEU 66 HB1 LEU 66 73.622 -5.860 17.359 479 HG LEU 66 HG LEU 66 72.920 -4.847 14.606 480 HD11 LEU 66 HD11 LEU 66 74.570 -7.319 15.189 481 HD12 LEU 66 HD12 LEU 66 74.927 -6.025 14.039 482 HD13 LEU 66 HD13 LEU 66 73.601 -7.141 13.730 483 HD21 LEU 66 HD21 LEU 66 71.331 -6.620 14.617 484 HD22 LEU 66 HD22 LEU 66 71.271 -6.013 16.264 485 HD23 LEU 66 HD23 LEU 66 72.171 -7.481 15.899 486 H ALA 67 HN ALA 67 74.745 -1.848 17.939 487 HA ALA 67 HA ALA 67 75.394 -2.925 20.453 488 HB1 ALA 67 HB1 ALA 67 75.428 -0.119 19.345 489 HB2 ALA 67 HB2 ALA 67 76.793 -1.207 19.597 490 HB3 ALA 67 HB3 ALA 67 75.966 -0.494 20.983 491 H ILE 68 HN ILE 68 72.855 -0.623 19.449 492 HA ILE 68 HA ILE 68 71.931 -0.058 22.025 493 HB ILE 68 HB ILE 68 69.671 0.401 20.760 494 HG12 ILE 68 HG12 ILE 68 71.423 0.655 18.362 495 HG13 ILE 68 HG11 ILE 68 70.814 -0.953 18.703 496 HG21 ILE 68 HG21 ILE 68 70.952 2.279 21.462 497 HG22 ILE 68 HG22 ILE 68 70.751 2.502 19.725 498 HG23 ILE 68 HG23 ILE 68 72.276 1.888 20.357 499 HD11 ILE 68 HD11 ILE 68 68.548 -0.200 18.579 500 HD12 ILE 68 HD12 ILE 68 69.402 0.322 17.151 501 HD13 ILE 68 HD13 ILE 68 69.061 1.481 18.438 502 H HIS 69 HN HIS 69 70.532 -2.487 19.753 503 HA HIS 69 HA HIS 69 68.618 -3.539 21.482 504 HB2 HIS 69 HB2 HIS 69 68.770 -4.096 19.072 505 HB3 HIS 69 HB1 HIS 69 70.234 -5.024 19.390 506 HD2 HIS 69 HD2 HIS 69 66.389 -5.468 19.613 507 HE1 HIS 69 HE1 HIS 69 68.120 -8.861 21.433 508 HE2 HIS 69 HE2 HIS 69 65.951 -7.845 20.597 509 H HIS 70 HN HIS 70 72.048 -4.408 21.092 510 HA HIS 70 HA HIS 70 71.982 -6.543 23.009 511 HB2 HIS 70 HB2 HIS 70 74.194 -4.996 21.673 512 HB3 HIS 70 HB1 HIS 70 74.533 -6.149 22.961 513 HD2 HIS 70 HD2 HIS 70 74.585 -8.791 22.136 514 HE1 HIS 70 HE1 HIS 70 72.873 -8.237 18.321 515 HE2 HIS 70 HE2 HIS 70 73.959 -9.925 19.876 516 H GLN 71 HN GLN 71 72.584 -6.538 25.145 517 HA GLN 71 HA GLN 71 72.162 -4.121 26.617 518 HB2 GLN 71 HB2 GLN 71 73.147 -6.865 27.452 519 HB3 GLN 71 HB1 GLN 71 72.825 -5.560 28.591 520 HG2 GLN 71 HG2 GLN 71 70.463 -5.501 27.916 521 HG3 GLN 71 HG1 GLN 71 70.761 -6.716 26.676 522 HE21 GLN 71 HE21 GLN 71 68.870 -7.611 28.229 523 HE22 GLN 71 HE22 GLN 71 69.413 -8.661 29.448 524 H HIS 72 HN HIS 72 73.575 -2.687 27.405 525 HA HIS 72 HA HIS 72 76.277 -2.683 26.469 526 HB2 HIS 72 HB2 HIS 72 74.873 -0.936 28.503 527 HB3 HIS 72 HB1 HIS 72 76.478 -0.623 27.842 528 HD2 HIS 72 HD2 HIS 72 72.831 0.106 26.944 529 HE1 HIS 72 HE1 HIS 72 75.035 0.671 23.393 530 HE2 HIS 72 HE2 HIS 72 72.783 1.030 24.503 531 H HIS 73 HN HIS 73 78.104 -3.344 27.440 532 HA HIS 73 HA HIS 73 78.002 -5.043 29.709 533 HB2 HIS 73 HB2 HIS 73 80.282 -3.770 28.198 534 HB3 HIS 73 HB1 HIS 73 80.539 -4.847 29.571 535 HD2 HIS 73 HD2 HIS 73 80.054 -7.573 29.048 536 HE1 HIS 73 HE1 HIS 73 78.939 -7.104 25.005 537 HE2 HIS 73 HE2 HIS 73 79.494 -8.798 26.811 538 H HIS 74 HN HIS 74 79.134 -1.705 29.260 539 HA HIS 74 HA HIS 74 79.984 -1.362 31.971 540 HB2 HIS 74 HB2 HIS 74 79.295 0.677 29.842 541 HB3 HIS 74 HB1 HIS 74 80.081 1.041 31.378 542 HD2 HIS 74 HD2 HIS 74 81.047 -0.145 27.853 543 HE1 HIS 74 HE1 HIS 74 84.417 -0.815 30.305 544 HE2 HIS 74 HE2 HIS 74 83.586 -0.762 27.907 545 H GLY 75 HN GLY 75 78.921 -0.508 33.702 546 HA2 GLY 75 HA2 GLY 75 76.513 0.933 33.651 547 HA3 GLY 75 HA1 GLY 75 76.120 -0.770 33.873 548 H GLY 76 HN GLY 76 75.377 0.804 35.868 549 HA2 GLY 76 HA2 GLY 76 75.456 0.859 38.173 550 HA3 GLY 76 HA1 GLY 76 76.886 -0.165 38.114 551 H SER 77 HN SER 77 77.074 2.601 36.141 552 HA SER 77 HA SER 77 79.212 3.742 37.695 553 HB2 SER 77 HB2 SER 77 79.357 5.377 35.923 554 HB3 SER 77 HB1 SER 77 79.105 3.796 35.192 555 HG SER 77 HG SER 77 77.427 4.683 34.298 556 H MET 78 HN MET 78 79.218 6.045 38.351 557 HA MET 78 HA MET 78 76.666 7.343 38.878 558 HB2 MET 78 HB2 MET 78 77.311 5.608 40.810 559 HB3 MET 78 HB1 MET 78 78.397 6.902 41.291 560 HG2 MET 78 HG2 MET 78 76.361 8.459 41.222 561 HG3 MET 78 HG1 MET 78 75.376 7.007 41.069 562 HE1 MET 78 HE1 MET 78 76.596 9.504 43.597 563 HE2 MET 78 HE2 MET 78 78.133 8.789 43.106 564 HE3 MET 78 HE3 MET 78 77.556 8.576 44.753 565 H GLY 79 HN GLY 79 76.872 9.527 39.218 566 HA2 GLY 79 HA2 GLY 79 77.878 11.601 39.334 567 HA3 GLY 79 HA1 GLY 79 79.353 10.803 39.867 568 H MET 80 HN MET 80 77.759 9.872 36.912 569 HA MET 80 HA MET 80 80.078 10.196 35.328 570 HB2 MET 80 HB2 MET 80 77.157 9.800 34.658 571 HB3 MET 80 HB1 MET 80 78.380 9.961 33.405 572 HG2 MET 80 HG2 MET 80 78.750 7.952 35.620 573 HG3 MET 80 HG1 MET 80 77.720 7.567 34.250 574 HE1 MET 80 HE1 MET 80 78.466 7.909 31.774 575 HE2 MET 80 HE2 MET 80 78.741 6.236 32.259 576 HE3 MET 80 HE3 MET 80 79.952 7.079 31.301 577 H SER 81 HN SER 81 77.201 12.210 35.781 578 HA SER 81 HA SER 81 77.772 14.128 33.794 579 HB2 SER 81 HB2 SER 81 76.228 15.585 35.065 580 HB3 SER 81 HB1 SER 81 75.574 13.963 34.849 581 HG SER 81 HG SER 81 76.293 13.477 36.953 582 H GLY 82 HN GLY 82 78.815 13.819 37.147 583 HA2 GLY 82 HA2 GLY 82 80.520 14.849 38.301 584 HA3 GLY 82 HA1 GLY 82 81.129 15.412 36.748 585 H SER 83 HN SER 83 81.476 17.541 36.971 586 HA SER 83 HA SER 83 79.977 19.243 38.684 587 HB2 SER 83 HB2 SER 83 81.268 21.044 37.721 588 HB3 SER 83 HB1 SER 83 82.333 19.658 37.938 589 HG SER 83 HG SER 83 81.224 20.741 35.594 590 H GLY 84 HN GLY 84 78.628 21.037 38.061 591 HA2 GLY 84 HA2 GLY 84 76.566 20.317 36.252 592 HA3 GLY 84 HA1 GLY 84 76.751 21.884 37.029 593 H THR 85 HN THR 85 75.838 21.693 34.420 594 HA THR 85 HA THR 85 77.957 22.033 32.508 595 HB THR 85 HB THR 85 75.173 23.069 32.062 596 HG1 THR 85 HG1 THR 85 74.485 20.959 31.718 597 HG21 THR 85 HG21 THR 85 76.862 21.316 30.264 598 HG22 THR 85 HG22 THR 85 77.063 23.070 30.296 599 HG23 THR 85 HG23 THR 85 75.520 22.368 29.822 600 H GLY 86 HN GLY 86 78.977 23.860 31.903 601 HA2 GLY 86 HA2 GLY 86 79.508 26.097 31.698 602 HA3 GLY 86 HA1 GLY 86 77.891 26.494 32.268 603 H TYR 87 HN TYR 87 79.467 24.335 34.332 604 HA TYR 87 HA TYR 87 79.614 26.235 36.470 605 HB2 TYR 87 HB2 TYR 87 79.092 23.852 36.834 606 HB3 TYR 87 HB1 TYR 87 80.694 23.417 36.278 607 HD1 TYR 87 HD1 TYR 87 78.808 25.197 38.956 608 HD2 TYR 87 HD2 TYR 87 82.668 23.704 37.745 609 HE1 TYR 87 HE1 TYR 87 79.684 25.584 41.233 610 HE2 TYR 87 HE2 TYR 87 83.528 24.100 40.022 611 HH TYR 87 HH TYR 87 82.720 24.356 42.271 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 42.412 -7.645 45.742 2 H2 MET 1 HT2 MET 1 42.587 -9.151 46.509 3 H3 MET 1 HT3 MET 1 43.937 -8.380 45.823 4 HA MET 1 HA MET 1 43.116 -6.484 47.509 5 HB2 MET 1 HB2 MET 1 42.455 -9.197 48.701 6 HB3 MET 1 HB1 MET 1 42.710 -7.757 49.677 7 HG2 MET 1 HG2 MET 1 40.810 -6.644 48.644 8 HG3 MET 1 HG1 MET 1 40.637 -7.933 47.463 9 HE1 MET 1 HE1 MET 1 39.153 -6.546 50.646 10 HE2 MET 1 HE2 MET 1 40.731 -7.071 51.233 11 HE3 MET 1 HE3 MET 1 39.274 -7.857 51.824 12 H GLY 2 HN GLY 2 44.854 -9.409 46.900 13 HA2 GLY 2 HA2 GLY 2 46.892 -9.142 48.860 14 HA3 GLY 2 HA1 GLY 2 47.005 -10.079 47.374 15 H ALA 3 HN ALA 3 46.554 -7.969 45.539 16 HA ALA 3 HA ALA 3 48.431 -5.819 45.973 17 HB1 ALA 3 HB1 ALA 3 49.200 -8.103 44.140 18 HB2 ALA 3 HB2 ALA 3 50.063 -7.568 45.580 19 HB3 ALA 3 HB3 ALA 3 49.994 -6.528 44.159 20 HA PRO 4 HA PRO 4 45.077 -5.333 42.635 21 HB2 PRO 4 HB2 PRO 4 44.836 -2.618 43.754 22 HB3 PRO 4 HB1 PRO 4 43.573 -3.815 43.430 23 HG2 PRO 4 HG2 PRO 4 44.408 -3.136 45.918 24 HG3 PRO 4 HG1 PRO 4 43.704 -4.706 45.503 25 HD2 PRO 4 HD2 PRO 4 46.526 -4.009 46.096 26 HD3 PRO 4 HD1 PRO 4 45.666 -5.551 46.286 27 H VAL 5 HN VAL 5 45.440 -4.317 40.671 28 HA VAL 5 HA VAL 5 46.635 -3.346 38.984 29 HB VAL 5 HB VAL 5 47.376 -1.167 40.955 30 HG11 VAL 5 HG11 VAL 5 46.442 -0.888 38.091 31 HG12 VAL 5 HG12 VAL 5 48.140 -1.171 38.455 32 HG13 VAL 5 HG13 VAL 5 47.338 0.269 39.066 33 HG21 VAL 5 HG21 VAL 5 45.122 -0.180 40.092 34 HG22 VAL 5 HG22 VAL 5 45.125 -1.284 41.462 35 HG23 VAL 5 HG23 VAL 5 44.673 -1.867 39.861 36 HA PRO 6 HA PRO 6 50.644 -5.087 40.891 37 HB2 PRO 6 HB2 PRO 6 50.762 -6.415 38.241 38 HB3 PRO 6 HB1 PRO 6 51.062 -7.080 39.853 39 HG2 PRO 6 HG2 PRO 6 48.860 -7.607 38.422 40 HG3 PRO 6 HG1 PRO 6 48.879 -7.571 40.190 41 HD2 PRO 6 HD2 PRO 6 47.718 -5.620 38.279 42 HD3 PRO 6 HD1 PRO 6 47.259 -5.980 39.955 43 H TYR 7 HN TYR 7 50.006 -4.146 37.513 44 HA TYR 7 HA TYR 7 52.112 -2.161 37.617 45 HB2 TYR 7 HB2 TYR 7 52.223 -4.617 35.889 46 HB3 TYR 7 HB1 TYR 7 53.011 -3.145 35.367 47 HD1 TYR 7 HD1 TYR 7 54.792 -2.065 36.862 48 HD2 TYR 7 HD2 TYR 7 53.242 -6.007 37.646 49 HE1 TYR 7 HE1 TYR 7 56.714 -2.540 38.337 50 HE2 TYR 7 HE2 TYR 7 55.156 -6.466 39.115 51 HH TYR 7 HH TYR 7 57.492 -5.646 39.397 52 HA PRO 8 HA PRO 8 49.065 -0.338 34.821 53 HB2 PRO 8 HB2 PRO 8 50.471 1.612 33.524 54 HB3 PRO 8 HB1 PRO 8 49.959 1.752 35.214 55 HG2 PRO 8 HG2 PRO 8 52.620 1.056 34.093 56 HG3 PRO 8 HG1 PRO 8 52.206 2.043 35.505 57 HD2 PRO 8 HD2 PRO 8 53.055 -0.554 35.669 58 HD3 PRO 8 HD1 PRO 8 52.043 0.248 36.887 59 H ASP 9 HN ASP 9 51.525 -2.210 33.809 60 HA ASP 9 HA ASP 9 50.459 -2.582 31.088 61 HB2 ASP 9 HB2 ASP 9 53.354 -1.929 31.680 62 HB3 ASP 9 HB1 ASP 9 52.771 -2.567 30.144 63 HA PRO 10 HA PRO 10 51.716 -6.504 33.473 64 HB2 PRO 10 HB2 PRO 10 49.296 -7.678 32.325 65 HB3 PRO 10 HB1 PRO 10 49.792 -7.572 34.021 66 HG2 PRO 10 HG2 PRO 10 47.755 -6.148 32.896 67 HG3 PRO 10 HG1 PRO 10 48.629 -5.679 34.360 68 HD2 PRO 10 HD2 PRO 10 48.781 -4.539 31.635 69 HD3 PRO 10 HD1 PRO 10 49.151 -3.797 33.205 70 H LEU 11 HN LEU 11 50.644 -5.778 30.281 71 HA LEU 11 HA LEU 11 51.168 -8.176 28.934 72 HB2 LEU 11 HB2 LEU 11 51.336 -5.299 28.025 73 HB3 LEU 11 HB1 LEU 11 51.518 -6.644 26.915 74 HG LEU 11 HG LEU 11 49.074 -6.250 28.704 75 HD11 LEU 11 HD11 LEU 11 47.985 -5.490 26.493 76 HD12 LEU 11 HD12 LEU 11 49.629 -5.172 25.946 77 HD13 LEU 11 HD13 LEU 11 48.992 -4.334 27.360 78 HD21 LEU 11 HD21 LEU 11 48.505 -8.307 27.938 79 HD22 LEU 11 HD22 LEU 11 49.782 -8.336 26.732 80 HD23 LEU 11 HD23 LEU 11 48.252 -7.545 26.375 81 H GLU 12 HN GLU 12 53.278 -5.543 29.827 82 HA GLU 12 HA GLU 12 55.535 -5.193 29.712 83 HB2 GLU 12 HB2 GLU 12 55.482 -8.187 30.167 84 HB3 GLU 12 HB1 GLU 12 56.946 -7.224 30.210 85 HG2 GLU 12 HG2 GLU 12 54.610 -6.411 31.913 86 HG3 GLU 12 HG1 GLU 12 55.649 -7.725 32.431 87 HA PRO 13 HA PRO 13 55.614 -6.541 25.167 88 HB2 PRO 13 HB2 PRO 13 56.563 -3.793 24.705 89 HB3 PRO 13 HB1 PRO 13 55.247 -4.676 23.917 90 HG2 PRO 13 HG2 PRO 13 54.868 -2.640 25.666 91 HG3 PRO 13 HG1 PRO 13 53.699 -3.939 25.389 92 HD2 PRO 13 HD2 PRO 13 55.490 -3.488 27.708 93 HD3 PRO 13 HD1 PRO 13 53.930 -4.327 27.612 94 H ARG 14 HN ARG 14 57.454 -7.197 24.090 95 HA ARG 14 HA ARG 14 59.902 -7.281 25.500 96 HB2 ARG 14 HB2 ARG 14 59.218 -7.834 22.605 97 HB3 ARG 14 HB1 ARG 14 60.821 -8.106 23.279 98 HG2 ARG 14 HG2 ARG 14 59.926 -9.749 24.880 99 HG3 ARG 14 HG1 ARG 14 58.281 -9.401 24.360 100 HD2 ARG 14 HD2 ARG 14 58.779 -10.308 22.126 101 HD3 ARG 14 HD1 ARG 14 60.456 -10.584 22.591 102 HE ARG 14 HE ARG 14 58.830 -11.922 24.439 103 HH11 ARG 14 HH21 ARG 14 59.594 -11.963 21.066 104 HH12 ARG 14 HH22 ARG 14 59.325 -13.664 20.886 105 HH21 ARG 14 HH11 ARG 14 58.462 -14.146 24.209 106 HH22 ARG 14 HH12 ARG 14 58.683 -14.900 22.665 107 H GLY 15 HN GLY 15 58.711 -5.197 22.915 108 HA2 GLY 15 HA2 GLY 15 59.424 -3.105 22.249 109 HA3 GLY 15 HA1 GLY 15 60.546 -3.108 23.605 110 H GLY 16 HN GLY 16 61.809 -2.004 21.785 111 HA2 GLY 16 HA2 GLY 16 63.978 -3.553 21.011 112 HA3 GLY 16 HA1 GLY 16 62.871 -3.552 19.643 113 H LYS 17 HN LYS 17 65.505 -2.078 20.808 114 HA LYS 17 HA LYS 17 64.938 0.681 20.345 115 HB2 LYS 17 HB2 LYS 17 67.613 -0.738 20.179 116 HB3 LYS 17 HB1 LYS 17 67.340 0.965 20.504 117 HG2 LYS 17 HG2 LYS 17 66.587 -1.360 22.342 118 HG3 LYS 17 HG1 LYS 17 67.927 -0.254 22.574 119 HD2 LYS 17 HD2 LYS 17 66.067 1.620 22.569 120 HD3 LYS 17 HD1 LYS 17 64.970 0.276 22.860 121 HE2 LYS 17 HE2 LYS 17 66.511 -0.379 24.774 122 HE3 LYS 17 HE1 LYS 17 67.246 1.215 24.582 123 HZ1 LYS 17 HZ1 LYS 17 64.983 0.637 25.999 124 HZ2 LYS 17 HZ2 LYS 17 64.402 1.352 24.571 125 HZ3 LYS 17 HZ3 LYS 17 65.521 2.179 25.546 126 H HIS 18 HN HIS 18 66.557 -1.840 18.498 127 HA HIS 18 HA HIS 18 67.161 -0.491 16.248 128 HB2 HIS 18 HB2 HIS 18 67.086 -3.167 16.915 129 HB3 HIS 18 HB1 HIS 18 65.938 -3.087 15.592 130 HD2 HIS 18 HD2 HIS 18 67.770 -0.810 13.830 131 HE1 HIS 18 HE1 HIS 18 70.640 -3.888 13.864 132 H ILE 19 HN ILE 19 63.977 -1.411 17.196 133 HA ILE 19 HA ILE 19 62.820 -0.497 14.632 134 HB ILE 19 HB ILE 19 61.707 -2.333 16.777 135 HG12 ILE 19 HG12 ILE 19 61.943 -3.024 13.849 136 HG13 ILE 19 HG11 ILE 19 63.385 -3.121 14.844 137 HG21 ILE 19 HG21 ILE 19 60.318 -0.918 14.480 138 HG22 ILE 19 HG22 ILE 19 59.728 -1.260 16.107 139 HG23 ILE 19 HG23 ILE 19 59.811 -2.543 14.918 140 HD11 ILE 19 HD11 ILE 19 62.471 -4.828 16.210 141 HD12 ILE 19 HD12 ILE 19 61.954 -5.263 14.582 142 HD13 ILE 19 HD13 ILE 19 60.820 -4.498 15.684 143 H CYS 20 HN CYS 20 62.233 1.545 14.728 144 HA CYS 20 HA CYS 20 61.658 2.913 17.193 145 HB2 CYS 20 HB2 CYS 20 62.515 4.185 15.367 146 HB3 CYS 20 HB1 CYS 20 61.259 3.622 14.289 147 H ALA 21 HN ALA 21 59.586 3.583 17.955 148 HA ALA 21 HA ALA 21 57.477 1.671 17.519 149 HB1 ALA 21 HB1 ALA 21 56.274 2.960 19.202 150 HB2 ALA 21 HB2 ALA 21 57.480 4.244 19.098 151 HB3 ALA 21 HB3 ALA 21 57.931 2.657 19.724 152 H ILE 22 HN ILE 22 58.388 4.529 16.028 153 HA ILE 22 HA ILE 22 55.733 5.025 14.854 154 HB ILE 22 HB ILE 22 58.032 6.936 15.383 155 HG12 ILE 22 HG12 ILE 22 56.644 6.412 17.380 156 HG13 ILE 22 HG11 ILE 22 56.534 8.094 16.912 157 HG21 ILE 22 HG21 ILE 22 57.200 7.907 13.424 158 HG22 ILE 22 HG22 ILE 22 56.191 8.681 14.638 159 HG23 ILE 22 HG23 ILE 22 55.559 7.329 13.707 160 HD11 ILE 22 HD11 ILE 22 54.335 7.063 15.578 161 HD12 ILE 22 HD12 ILE 22 54.291 7.736 17.198 162 HD13 ILE 22 HD13 ILE 22 54.439 6.000 16.973 163 H CYS 23 HN CYS 23 58.945 6.074 13.826 164 HA CYS 23 HA CYS 23 58.360 5.796 11.111 165 HB2 CYS 23 HB2 CYS 23 61.144 5.692 12.099 166 HB3 CYS 23 HB1 CYS 23 60.472 6.620 10.765 167 H GLY 24 HN GLY 24 59.077 3.422 13.359 168 HA2 GLY 24 HA2 GLY 24 59.223 1.140 13.047 169 HA3 GLY 24 HA1 GLY 24 59.263 1.400 11.325 170 H ASN 25 HN ASN 25 61.742 3.336 11.861 171 HA ASN 25 HA ASN 25 63.744 1.559 12.868 172 HB2 ASN 25 HB2 ASN 25 63.006 1.256 10.056 173 HB3 ASN 25 HB1 ASN 25 64.711 1.594 10.231 174 HD21 ASN 25 HD21 ASN 25 65.784 0.202 12.114 175 HD22 ASN 25 HD22 ASN 25 65.303 -1.426 12.164 176 H ASN 26 HN ASN 26 62.925 4.558 12.661 177 HA ASN 26 HA ASN 26 65.550 5.694 11.818 178 HB2 ASN 26 HB2 ASN 26 63.058 7.158 12.646 179 HB3 ASN 26 HB1 ASN 26 64.556 7.908 12.161 180 HD21 ASN 26 HD21 ASN 26 62.738 5.118 10.732 181 HD22 ASN 26 HD22 ASN 26 62.705 5.781 9.173 182 H ALA 27 HN ALA 27 64.468 4.193 14.328 183 HA ALA 27 HA ALA 27 64.766 5.679 16.647 184 HB1 ALA 27 HB1 ALA 27 65.118 2.833 15.941 185 HB2 ALA 27 HB2 ALA 27 64.215 3.560 17.270 186 HB3 ALA 27 HB3 ALA 27 65.966 3.350 17.399 187 H GLU 28 HN GLU 28 67.332 3.753 15.174 188 HA GLU 28 HA GLU 28 69.461 4.984 16.572 189 HB2 GLU 28 HB2 GLU 28 70.718 4.041 14.351 190 HB3 GLU 28 HB1 GLU 28 70.335 3.064 15.748 191 HG2 GLU 28 HG2 GLU 28 68.329 2.193 14.681 192 HG3 GLU 28 HG1 GLU 28 68.482 3.347 13.356 193 H ASP 29 HN ASP 29 68.211 5.520 13.278 194 HA ASP 29 HA ASP 29 70.131 7.531 12.615 195 HB2 ASP 29 HB2 ASP 29 67.448 7.372 11.290 196 HB3 ASP 29 HB1 ASP 29 69.023 7.707 10.585 197 H TYR 30 HN TYR 30 68.958 9.700 11.659 198 HA TYR 30 HA TYR 30 68.518 11.384 13.840 199 HB2 TYR 30 HB2 TYR 30 67.610 11.727 10.975 200 HB3 TYR 30 HB1 TYR 30 67.684 13.015 12.163 201 HD1 TYR 30 HD2 TYR 30 69.891 13.817 13.055 202 HD2 TYR 30 HD1 TYR 30 69.689 10.790 9.994 203 HE1 TYR 30 HE2 TYR 30 72.287 14.147 12.560 204 HE2 TYR 30 HE1 TYR 30 72.084 11.126 9.515 205 HH TYR 30 HH TYR 30 74.164 12.762 11.561 206 H LYS 31 HN LYS 31 66.758 12.089 14.938 207 HA LYS 31 HA LYS 31 64.279 10.596 14.645 208 HB2 LYS 31 HB2 LYS 31 65.193 12.595 16.744 209 HB3 LYS 31 HB1 LYS 31 63.675 11.707 16.807 210 HG2 LYS 31 HG2 LYS 31 64.902 9.559 16.883 211 HG3 LYS 31 HG1 LYS 31 66.434 10.420 16.793 212 HD2 LYS 31 HD2 LYS 31 65.962 11.519 18.966 213 HD3 LYS 31 HD1 LYS 31 64.403 10.706 19.055 214 HE2 LYS 31 HE2 LYS 31 65.551 8.509 19.124 215 HE3 LYS 31 HE1 LYS 31 67.113 9.323 19.026 216 HZ1 LYS 31 HZ1 LYS 31 65.103 9.560 21.189 217 HZ2 LYS 31 HZ2 LYS 31 66.495 10.528 21.075 218 HZ3 LYS 31 HZ3 LYS 31 66.640 8.849 21.289 219 H HIS 32 HN HIS 32 64.786 12.306 12.511 220 HA HIS 32 HA HIS 32 63.237 14.742 12.842 221 HB2 HIS 32 HB2 HIS 32 64.843 13.496 10.688 222 HB3 HIS 32 HB1 HIS 32 63.518 14.549 10.192 223 HD2 HIS 32 HD2 HIS 32 63.754 17.280 11.164 224 HE1 HIS 32 HE1 HIS 32 67.830 16.900 12.199 225 HE2 HIS 32 HE2 HIS 32 65.931 18.551 11.858 226 H THR 33 HN THR 33 62.790 11.518 11.533 227 HA THR 33 HA THR 33 60.242 12.102 10.294 228 HB THR 33 HB THR 33 60.178 9.546 10.151 229 HG1 THR 33 HG1 THR 33 62.104 9.831 11.872 230 HG21 THR 33 HG21 THR 33 62.307 11.282 8.902 231 HG22 THR 33 HG22 THR 33 60.832 10.642 8.177 232 HG23 THR 33 HG23 THR 33 62.189 9.569 8.504 233 H ASP 34 HN ASP 34 61.273 11.546 13.472 234 HA ASP 34 HA ASP 34 59.064 10.014 14.443 235 HB2 ASP 34 HB2 ASP 34 61.118 11.783 15.727 236 HB3 ASP 34 HB1 ASP 34 59.747 11.216 16.667 237 H MET 35 HN MET 35 59.598 13.450 13.989 238 HA MET 35 HA MET 35 57.242 14.314 15.359 239 HB2 MET 35 HB2 MET 35 58.982 15.646 13.265 240 HB3 MET 35 HB1 MET 35 57.620 16.451 14.036 241 HG2 MET 35 HG2 MET 35 58.675 16.241 16.233 242 HG3 MET 35 HG1 MET 35 59.973 15.264 15.552 243 HE1 MET 35 HE1 MET 35 62.029 16.725 16.278 244 HE2 MET 35 HE2 MET 35 60.779 17.432 17.299 245 HE3 MET 35 HE3 MET 35 61.887 18.481 16.421 246 H ASP 36 HN ASP 36 57.983 13.631 11.967 247 HA ASP 36 HA ASP 36 55.306 14.271 11.050 248 HB2 ASP 36 HB2 ASP 36 57.624 12.934 9.640 249 HB3 ASP 36 HB1 ASP 36 56.137 13.492 8.876 250 H LEU 37 HN LEU 37 53.713 12.881 10.475 251 HA LEU 37 HA LEU 37 53.863 10.125 11.514 252 HB2 LEU 37 HB2 LEU 37 51.447 11.463 10.312 253 HB3 LEU 37 HB1 LEU 37 51.501 10.118 11.438 254 HG LEU 37 HG LEU 37 52.103 13.055 12.046 255 HD11 LEU 37 HD11 LEU 37 50.019 11.203 13.237 256 HD12 LEU 37 HD12 LEU 37 49.701 12.397 11.976 257 HD13 LEU 37 HD13 LEU 37 50.233 12.918 13.570 258 HD21 LEU 37 HD21 LEU 37 52.586 10.593 13.754 259 HD22 LEU 37 HD22 LEU 37 52.272 12.170 14.473 260 HD23 LEU 37 HD23 LEU 37 53.679 11.944 13.443 261 H THR 38 HN THR 38 55.027 11.300 8.903 262 HA THR 38 HA THR 38 53.627 9.820 6.826 263 HB THR 38 HB THR 38 55.650 10.577 5.456 264 HG1 THR 38 HG1 THR 38 57.184 11.073 6.847 265 HG21 THR 38 HG21 THR 38 54.896 13.044 5.616 266 HG22 THR 38 HG22 THR 38 53.745 12.480 6.825 267 HG23 THR 38 HG23 THR 38 53.677 11.850 5.179 268 H TYR 39 HN TYR 39 54.811 8.286 5.452 269 HA TYR 39 HA TYR 39 56.028 6.193 7.030 270 HB2 TYR 39 HB2 TYR 39 55.515 6.442 4.060 271 HB3 TYR 39 HB1 TYR 39 56.101 4.992 4.854 272 HD1 TYR 39 HD1 TYR 39 54.627 3.670 6.376 273 HD2 TYR 39 HD2 TYR 39 53.167 7.225 4.421 274 HE1 TYR 39 HE1 TYR 39 52.311 3.042 6.942 275 HE2 TYR 39 HE2 TYR 39 50.861 6.582 4.997 276 HH TYR 39 HH TYR 39 49.622 5.223 6.382 277 H THR 40 HN THR 40 58.130 5.387 6.826 278 HA THR 40 HA THR 40 60.169 7.264 6.470 279 HB THR 40 HB THR 40 60.340 4.236 6.364 280 HG1 THR 40 HG1 THR 40 61.115 4.776 8.612 281 HG21 THR 40 HG21 THR 40 62.462 4.792 5.627 282 HG22 THR 40 HG22 THR 40 62.713 4.871 7.364 283 HG23 THR 40 HG23 THR 40 62.477 6.354 6.448 284 H ASP 41 HN ASP 41 61.164 8.025 4.726 285 HA ASP 41 HA ASP 41 60.473 7.055 2.072 286 HB2 ASP 41 HB2 ASP 41 60.567 9.468 2.553 287 HB3 ASP 41 HB1 ASP 41 62.284 9.322 2.925 288 H ARG 42 HN ARG 42 61.572 5.517 1.080 289 HA ARG 42 HA ARG 42 64.066 4.512 2.039 290 HB2 ARG 42 HB2 ARG 42 62.594 4.044 -0.570 291 HB3 ARG 42 HB1 ARG 42 64.023 3.149 -0.068 292 HG2 ARG 42 HG2 ARG 42 62.820 2.287 1.923 293 HG3 ARG 42 HG1 ARG 42 61.402 3.236 1.497 294 HD2 ARG 42 HD2 ARG 42 61.112 0.899 0.827 295 HD3 ARG 42 HD1 ARG 42 61.162 1.925 -0.600 296 HE ARG 42 HE ARG 42 63.776 0.985 0.004 297 HH11 ARG 42 HH21 ARG 42 60.700 -0.066 -1.180 298 HH12 ARG 42 HH22 ARG 42 61.355 -1.374 -2.106 299 HH21 ARG 42 HH11 ARG 42 64.635 -0.733 -1.196 300 HH22 ARG 42 HH12 ARG 42 63.579 -1.750 -2.117 301 H ASP 43 HN ASP 43 66.114 4.813 1.323 302 HA ASP 43 HA ASP 43 66.740 7.280 0.048 303 HB2 ASP 43 HB2 ASP 43 68.338 4.901 0.954 304 HB3 ASP 43 HB1 ASP 43 69.101 6.187 0.018 305 H TYR 44 HN TYR 44 67.309 7.748 -2.000 306 HA TYR 44 HA TYR 44 66.474 6.098 -4.124 307 HB2 TYR 44 HB2 TYR 44 66.593 8.513 -4.343 308 HB3 TYR 44 HB1 TYR 44 68.329 8.483 -4.079 309 HD1 TYR 44 HD1 TYR 44 65.627 7.334 -6.397 310 HD2 TYR 44 HD2 TYR 44 69.863 8.001 -5.934 311 HE1 TYR 44 HE1 TYR 44 65.962 6.954 -8.812 312 HE2 TYR 44 HE2 TYR 44 70.181 7.620 -8.347 313 HH TYR 44 HH TYR 44 68.759 6.224 -10.193 314 H LYS 45 HN LYS 45 69.749 6.888 -2.947 315 HA LYS 45 HA LYS 45 71.078 5.220 -4.813 316 HB2 LYS 45 HB2 LYS 45 72.008 7.139 -3.268 317 HB3 LYS 45 HB1 LYS 45 72.202 5.849 -2.087 318 HG2 LYS 45 HG2 LYS 45 73.625 4.587 -3.682 319 HG3 LYS 45 HG1 LYS 45 73.423 5.859 -4.882 320 HD2 LYS 45 HD2 LYS 45 74.557 7.475 -3.384 321 HD3 LYS 45 HD1 LYS 45 74.759 6.217 -2.169 322 HE2 LYS 45 HE2 LYS 45 75.931 6.080 -4.976 323 HE3 LYS 45 HE1 LYS 45 76.808 6.589 -3.539 324 HZ1 LYS 45 HZ1 LYS 45 77.304 4.419 -3.437 325 HZ2 LYS 45 HZ2 LYS 45 75.940 3.936 -4.330 326 HZ3 LYS 45 HZ3 LYS 45 75.792 4.304 -2.678 327 H ASN 46 HN ASN 46 71.479 3.102 -4.812 328 HA ASN 46 HA ASN 46 71.293 1.477 -2.378 329 HB2 ASN 46 HB2 ASN 46 69.484 1.094 -4.777 330 HB3 ASN 46 HB1 ASN 46 69.721 -0.121 -3.526 331 HD21 ASN 46 HD21 ASN 46 67.685 2.394 -4.416 332 HD22 ASN 46 HD22 ASN 46 67.032 2.751 -2.890 333 H CYS 47 HN CYS 47 72.868 2.308 -5.099 334 HA CYS 47 HA CYS 47 73.581 -0.130 -6.310 335 HB2 CYS 47 HB2 CYS 47 75.148 2.446 -6.048 336 HB3 CYS 47 HB1 CYS 47 75.569 1.117 -7.130 337 HG CYS 47 HG CYS 47 73.160 3.034 -7.492 338 H GLU 48 HN GLU 48 75.129 1.698 -3.670 339 HA GLU 48 HA GLU 48 77.187 -0.290 -3.267 340 HB2 GLU 48 HB2 GLU 48 77.366 2.216 -2.768 341 HB3 GLU 48 HB1 GLU 48 76.387 1.907 -1.341 342 HG2 GLU 48 HG2 GLU 48 78.138 0.247 -0.569 343 HG3 GLU 48 HG1 GLU 48 79.122 0.705 -1.954 344 H SER 49 HN SER 49 77.246 -1.904 -1.794 345 HA SER 49 HA SER 49 75.465 -2.133 0.424 346 HB2 SER 49 HB2 SER 49 73.699 -2.895 -0.779 347 HB3 SER 49 HB1 SER 49 74.700 -3.354 -2.153 348 HG SER 49 HG SER 49 75.218 -5.231 -1.148 349 H TYR 50 HN TYR 50 77.014 -2.796 1.756 350 HA TYR 50 HA TYR 50 79.118 -4.609 0.991 351 HB2 TYR 50 HB2 TYR 50 79.147 -2.680 2.758 352 HB3 TYR 50 HB1 TYR 50 78.479 -3.885 3.836 353 HD1 TYR 50 HD1 TYR 50 81.422 -3.030 1.719 354 HD2 TYR 50 HD2 TYR 50 79.833 -5.811 4.609 355 HE1 TYR 50 HE1 TYR 50 83.669 -3.997 2.037 356 HE2 TYR 50 HE2 TYR 50 82.089 -6.761 4.919 357 HH TYR 50 HH TYR 50 84.916 -5.256 3.673 358 H HIS 51 HN HIS 51 76.345 -4.752 3.203 359 HA HIS 51 HA HIS 51 75.875 -7.531 2.643 360 HB2 HIS 51 HB2 HIS 51 77.399 -6.723 5.057 361 HB3 HIS 51 HB1 HIS 51 76.086 -7.866 5.325 362 HD2 HIS 51 HD2 HIS 51 76.336 -10.306 3.713 363 HE1 HIS 51 HE1 HIS 51 80.479 -9.785 3.103 364 HE2 HIS 51 HE2 HIS 51 78.552 -11.425 2.914 365 H LYS 52 HN LYS 52 73.777 -7.190 2.296 366 HA LYS 52 HA LYS 52 72.133 -5.480 3.920 367 HB2 LYS 52 HB2 LYS 52 71.393 -7.578 1.867 368 HB3 LYS 52 HB1 LYS 52 70.260 -6.454 2.609 369 HG2 LYS 52 HG2 LYS 52 71.535 -4.539 1.662 370 HG3 LYS 52 HG1 LYS 52 72.655 -5.665 0.907 371 HD2 LYS 52 HD2 LYS 52 70.757 -6.612 -0.430 372 HD3 LYS 52 HD1 LYS 52 69.678 -5.427 0.302 373 HE2 LYS 52 HE2 LYS 52 71.114 -3.600 -0.663 374 HE3 LYS 52 HE1 LYS 52 72.077 -4.842 -1.464 375 HZ1 LYS 52 HZ1 LYS 52 70.508 -4.163 -3.023 376 HZ2 LYS 52 HZ2 LYS 52 69.235 -4.168 -1.897 377 HZ3 LYS 52 HZ3 LYS 52 69.908 -5.635 -2.431 378 H CYS 53 HN CYS 53 73.009 -6.641 5.879 379 HA CYS 53 HA CYS 53 72.064 -9.236 6.551 380 HB2 CYS 53 HB2 CYS 53 73.302 -6.971 8.073 381 HB3 CYS 53 HB1 CYS 53 72.617 -8.338 8.947 382 HG CYS 53 HG CYS 53 75.274 -8.389 7.620 383 H SER 54 HN SER 54 71.234 -6.215 8.245 384 HA SER 54 HA SER 54 68.600 -7.290 8.939 385 HB2 SER 54 HB2 SER 54 70.127 -4.877 9.891 386 HB3 SER 54 HB1 SER 54 68.515 -5.320 10.434 387 HG SER 54 HG SER 54 70.956 -6.717 10.754 388 H ASP 55 HN ASP 55 67.965 -7.068 6.680 389 HA ASP 55 HA ASP 55 67.716 -4.810 5.121 390 HB2 ASP 55 HB2 ASP 55 65.523 -6.888 5.388 391 HB3 ASP 55 HB1 ASP 55 65.903 -5.911 3.971 392 H LEU 56 HN LEU 56 65.926 -5.580 7.987 393 HA LEU 56 HA LEU 56 63.755 -3.763 7.663 394 HB2 LEU 56 HB2 LEU 56 65.002 -4.615 10.289 395 HB3 LEU 56 HB1 LEU 56 63.344 -4.110 10.024 396 HG LEU 56 HG LEU 56 64.619 -6.702 9.000 397 HD11 LEU 56 HD11 LEU 56 62.411 -6.328 11.019 398 HD12 LEU 56 HD12 LEU 56 64.079 -6.759 11.400 399 HD13 LEU 56 HD13 LEU 56 63.080 -7.854 10.455 400 HD21 LEU 56 HD21 LEU 56 63.039 -6.235 7.323 401 HD22 LEU 56 HD22 LEU 56 61.910 -5.486 8.448 402 HD23 LEU 56 HD23 LEU 56 62.135 -7.234 8.458 403 H CYS 57 HN CYS 57 66.968 -3.497 9.180 404 HA CYS 57 HA CYS 57 66.594 -0.620 9.681 405 HB2 CYS 57 HB2 CYS 57 67.542 -1.814 11.452 406 HB3 CYS 57 HB1 CYS 57 68.668 -2.674 10.444 407 H GLN 58 HN GLN 58 66.948 0.629 7.989 408 HA GLN 58 HA GLN 58 68.358 -0.181 5.673 409 HB2 GLN 58 HB2 GLN 58 68.241 2.401 5.196 410 HB3 GLN 58 HB1 GLN 58 66.778 1.424 5.168 411 HG2 GLN 58 HG2 GLN 58 66.046 2.237 7.258 412 HG3 GLN 58 HG1 GLN 58 67.658 2.788 7.717 413 HE21 GLN 58 HE21 GLN 58 67.148 5.016 8.010 414 HE22 GLN 58 HE22 GLN 58 66.618 6.012 6.742 415 H TYR 59 HN TYR 59 69.354 1.595 8.509 416 HA TYR 59 HA TYR 59 71.771 2.641 7.395 417 HB2 TYR 59 HB2 TYR 59 70.278 2.864 9.807 418 HB3 TYR 59 HB1 TYR 59 71.957 2.530 10.199 419 HD1 TYR 59 HD2 TYR 59 69.701 4.815 8.294 420 HD2 TYR 59 HD1 TYR 59 73.707 4.199 9.758 421 HE1 TYR 59 HE2 TYR 59 70.286 7.145 7.708 422 HE2 TYR 59 HE1 TYR 59 74.273 6.523 9.168 423 HH TYR 59 HH TYR 59 73.275 8.256 7.347 424 H CYS 60 HN CYS 60 70.938 -0.340 9.045 425 HA CYS 60 HA CYS 60 73.474 -1.140 9.896 426 HB2 CYS 60 HB2 CYS 60 70.907 -2.435 9.300 427 HB3 CYS 60 HB1 CYS 60 72.305 -3.481 9.295 428 H ARG 61 HN ARG 61 72.033 -1.014 6.746 429 HA ARG 61 HA ARG 61 73.439 -3.003 5.372 430 HB2 ARG 61 HB2 ARG 61 72.511 -0.278 4.432 431 HB3 ARG 61 HB1 ARG 61 73.091 -1.540 3.355 432 HG2 ARG 61 HG2 ARG 61 71.265 -3.027 4.018 433 HG3 ARG 61 HG1 ARG 61 70.724 -1.886 5.238 434 HD2 ARG 61 HD2 ARG 61 70.132 -0.272 3.487 435 HD3 ARG 61 HD1 ARG 61 70.740 -1.366 2.247 436 HE ARG 61 HE ARG 61 68.855 -2.775 3.750 437 HH11 ARG 61 HH21 ARG 61 69.023 -0.014 1.676 438 HH12 ARG 61 HH22 ARG 61 67.389 -0.161 1.120 439 HH21 ARG 61 HH11 ARG 61 66.714 -2.975 3.035 440 HH22 ARG 61 HH12 ARG 61 66.080 -1.840 1.892 441 H TYR 62 HN TYR 62 74.446 0.248 6.251 442 HA TYR 62 HA TYR 62 76.985 0.019 4.791 443 HB2 TYR 62 HB2 TYR 62 75.821 2.270 6.429 444 HB3 TYR 62 HB1 TYR 62 77.337 2.335 5.545 445 HD1 TYR 62 HD2 TYR 62 73.638 2.072 5.187 446 HD2 TYR 62 HD1 TYR 62 77.375 2.490 3.073 447 HE1 TYR 62 HE2 TYR 62 72.419 2.653 3.123 448 HE2 TYR 62 HE1 TYR 62 76.140 3.060 1.019 449 HH TYR 62 HH TYR 62 73.847 4.042 0.457 450 H GLN 63 HN GLN 63 75.882 0.722 8.089 451 HA GLN 63 HA GLN 63 78.302 -0.551 9.232 452 HB2 GLN 63 HB2 GLN 63 77.203 2.185 9.955 453 HB3 GLN 63 HB1 GLN 63 78.381 1.311 10.924 454 HG2 GLN 63 HG2 GLN 63 79.984 1.361 9.031 455 HG3 GLN 63 HG1 GLN 63 78.795 2.209 8.051 456 HE21 GLN 63 HE21 GLN 63 80.852 3.722 8.091 457 HE22 GLN 63 HE22 GLN 63 80.830 4.924 9.289 458 H LYS 64 HN LYS 64 77.653 -2.094 10.462 459 HA LYS 64 HA LYS 64 75.070 -2.606 11.367 460 HB2 LYS 64 HB2 LYS 64 77.564 -3.452 12.842 461 HB3 LYS 64 HB1 LYS 64 76.028 -4.284 12.799 462 HG2 LYS 64 HG2 LYS 64 78.066 -4.041 10.553 463 HG3 LYS 64 HG1 LYS 64 77.591 -5.495 11.410 464 HD2 LYS 64 HD2 LYS 64 75.201 -5.034 10.451 465 HD3 LYS 64 HD1 LYS 64 76.032 -3.949 9.347 466 HE2 LYS 64 HE2 LYS 64 77.604 -5.967 8.859 467 HE3 LYS 64 HE1 LYS 64 76.323 -6.934 9.593 468 HZ1 LYS 64 HZ1 LYS 64 76.244 -5.291 7.152 469 HZ2 LYS 64 HZ2 LYS 64 74.812 -5.640 7.994 470 HZ3 LYS 64 HZ3 LYS 64 75.762 -6.902 7.370 471 H ASP 65 HN ASP 65 73.892 -2.149 13.048 472 HA ASP 65 HA ASP 65 74.954 -0.373 15.190 473 HB2 ASP 65 HB2 ASP 65 72.100 -0.175 14.552 474 HB3 ASP 65 HB1 ASP 65 73.220 1.074 14.992 475 H LEU 66 HN LEU 66 74.451 -3.408 14.965 476 HA LEU 66 HA LEU 66 72.207 -4.076 16.526 477 HB2 LEU 66 HB2 LEU 66 74.831 -5.505 16.095 478 HB3 LEU 66 HB1 LEU 66 73.508 -6.235 16.983 479 HG LEU 66 HG LEU 66 72.918 -5.162 14.227 480 HD11 LEU 66 HD11 LEU 66 73.507 -7.486 13.350 481 HD12 LEU 66 HD12 LEU 66 74.438 -7.715 14.826 482 HD13 LEU 66 HD13 LEU 66 74.877 -6.437 13.692 483 HD21 LEU 66 HD21 LEU 66 71.260 -6.874 14.179 484 HD22 LEU 66 HD22 LEU 66 71.171 -6.250 15.818 485 HD23 LEU 66 HD23 LEU 66 72.014 -7.762 15.497 486 H ALA 67 HN ALA 67 74.678 -2.198 17.626 487 HA ALA 67 HA ALA 67 75.234 -3.340 20.167 488 HB1 ALA 67 HB1 ALA 67 75.542 -0.565 20.357 489 HB2 ALA 67 HB2 ALA 67 75.920 -0.960 18.680 490 HB3 ALA 67 HB3 ALA 67 76.797 -1.749 19.992 491 H ILE 68 HN ILE 68 72.965 -0.808 19.051 492 HA ILE 68 HA ILE 68 71.980 -0.228 21.609 493 HB ILE 68 HB ILE 68 69.922 0.642 20.308 494 HG12 ILE 68 HG12 ILE 68 71.723 0.572 17.912 495 HG13 ILE 68 HG11 ILE 68 70.770 -0.863 18.235 496 HG21 ILE 68 HG21 ILE 68 71.491 2.248 21.057 497 HG22 ILE 68 HG22 ILE 68 71.388 2.534 19.324 498 HG23 ILE 68 HG23 ILE 68 72.753 1.641 19.982 499 HD11 ILE 68 HD11 ILE 68 69.599 1.917 17.992 500 HD12 ILE 68 HD12 ILE 68 68.702 0.406 18.106 501 HD13 ILE 68 HD13 ILE 68 69.660 0.747 16.676 502 H HIS 69 HN HIS 69 70.783 -2.595 19.229 503 HA HIS 69 HA HIS 69 68.473 -3.383 20.575 504 HB2 HIS 69 HB2 HIS 69 69.119 -4.091 18.265 505 HB3 HIS 69 HB1 HIS 69 70.328 -5.160 18.973 506 HD2 HIS 69 HD2 HIS 69 66.391 -4.890 18.775 507 HE1 HIS 69 HE1 HIS 69 67.396 -8.698 20.291 508 HE2 HIS 69 HE2 HIS 69 65.488 -7.232 19.485 509 H HIS 70 HN HIS 70 71.812 -4.617 20.842 510 HA HIS 70 HA HIS 70 71.155 -6.516 22.911 511 HB2 HIS 70 HB2 HIS 70 73.676 -5.557 21.612 512 HB3 HIS 70 HB1 HIS 70 73.772 -6.438 23.138 513 HD2 HIS 70 HD2 HIS 70 73.439 -7.228 19.419 514 HE1 HIS 70 HE1 HIS 70 72.155 -10.698 21.447 515 HE2 HIS 70 HE2 HIS 70 72.813 -9.747 19.187 516 H GLN 71 HN GLN 71 71.096 -6.205 25.048 517 HA GLN 71 HA GLN 71 71.195 -3.606 26.165 518 HB2 GLN 71 HB2 GLN 71 71.138 -6.375 27.376 519 HB3 GLN 71 HB1 GLN 71 71.192 -4.928 28.378 520 HG2 GLN 71 HG2 GLN 71 69.100 -5.205 26.225 521 HG3 GLN 71 HG1 GLN 71 68.869 -5.978 27.788 522 HE21 GLN 71 HE21 GLN 71 68.274 -3.121 26.113 523 HE22 GLN 71 HE22 GLN 71 68.070 -2.079 27.437 524 H HIS 72 HN HIS 72 73.468 -6.327 26.268 525 HA HIS 72 HA HIS 72 75.404 -4.937 27.873 526 HB2 HIS 72 HB2 HIS 72 75.004 -7.536 27.364 527 HB3 HIS 72 HB1 HIS 72 76.235 -7.207 26.145 528 HD2 HIS 72 HD2 HIS 72 76.061 -7.935 29.888 529 HE1 HIS 72 HE1 HIS 72 79.841 -6.187 29.235 530 HE2 HIS 72 HE2 HIS 72 78.410 -7.436 30.913 531 H HIS 73 HN HIS 73 76.910 -3.530 27.240 532 HA HIS 73 HA HIS 73 77.035 -2.511 24.609 533 HB2 HIS 73 HB2 HIS 73 78.869 -2.244 26.992 534 HB3 HIS 73 HB1 HIS 73 79.167 -1.409 25.467 535 HD2 HIS 73 HD2 HIS 73 77.611 0.875 25.080 536 HE1 HIS 73 HE1 HIS 73 75.061 0.365 28.406 537 HE2 HIS 73 HE2 HIS 73 75.712 1.937 26.522 538 H HIS 74 HN HIS 74 79.262 -4.641 26.397 539 HA HIS 74 HA HIS 74 80.996 -5.040 24.121 540 HB2 HIS 74 HB2 HIS 74 80.816 -6.453 26.790 541 HB3 HIS 74 HB1 HIS 74 82.073 -6.735 25.584 542 HD2 HIS 74 HD2 HIS 74 81.155 -4.119 28.312 543 HE1 HIS 74 HE1 HIS 74 84.580 -2.689 26.303 544 HE2 HIS 74 HE2 HIS 74 83.063 -2.334 28.305 545 H GLY 75 HN GLY 75 81.182 -6.889 22.858 546 HA2 GLY 75 HA2 GLY 75 80.540 -8.844 21.816 547 HA3 GLY 75 HA1 GLY 75 79.566 -9.222 23.233 548 H GLY 76 HN GLY 76 79.096 -6.171 21.664 549 HA2 GLY 76 HA2 GLY 76 76.338 -6.584 21.234 550 HA3 GLY 76 HA1 GLY 76 77.295 -5.272 20.550 551 H SER 77 HN SER 77 79.133 -6.813 19.065 552 HA SER 77 HA SER 77 77.600 -7.312 16.696 553 HB2 SER 77 HB2 SER 77 79.874 -6.416 16.573 554 HB3 SER 77 HB1 SER 77 80.507 -7.879 17.320 555 HG SER 77 HG SER 77 80.424 -8.802 15.442 556 H MET 78 HN MET 78 77.093 -9.238 15.719 557 HA MET 78 HA MET 78 76.790 -11.530 17.407 558 HB2 MET 78 HB2 MET 78 76.339 -11.078 14.449 559 HB3 MET 78 HB1 MET 78 76.015 -12.615 15.244 560 HG2 MET 78 HG2 MET 78 74.338 -11.595 16.683 561 HG3 MET 78 HG1 MET 78 74.778 -9.984 16.127 562 HE1 MET 78 HE1 MET 78 73.579 -13.497 15.058 563 HE2 MET 78 HE2 MET 78 72.185 -13.120 14.057 564 HE3 MET 78 HE3 MET 78 72.170 -12.692 15.762 565 H GLY 79 HN GLY 79 77.861 -13.459 17.400 566 HA2 GLY 79 HA2 GLY 79 80.614 -13.422 16.639 567 HA3 GLY 79 HA1 GLY 79 79.739 -14.796 17.306 568 H MET 80 HN MET 80 81.641 -15.047 15.267 569 HA MET 80 HA MET 80 80.371 -15.218 12.682 570 HB2 MET 80 HB2 MET 80 83.011 -16.192 13.786 571 HB3 MET 80 HB1 MET 80 82.494 -16.538 12.139 572 HG2 MET 80 HG2 MET 80 82.447 -13.696 13.129 573 HG3 MET 80 HG1 MET 80 83.971 -14.410 12.623 574 HE1 MET 80 HE1 MET 80 84.259 -15.709 10.388 575 HE2 MET 80 HE2 MET 80 84.768 -14.035 10.172 576 HE3 MET 80 HE3 MET 80 83.818 -14.826 8.922 577 H SER 81 HN SER 81 79.715 -17.049 11.589 578 HA SER 81 HA SER 81 79.828 -19.680 12.792 579 HB2 SER 81 HB2 SER 81 77.335 -19.931 12.832 580 HB3 SER 81 HB1 SER 81 77.954 -18.819 14.049 581 HG SER 81 HG SER 81 77.531 -17.146 12.403 582 H GLY 82 HN GLY 82 78.861 -21.318 11.407 583 HA2 GLY 82 HA2 GLY 82 78.336 -22.270 9.369 584 HA3 GLY 82 HA1 GLY 82 77.988 -20.660 8.747 585 H SER 83 HN SER 83 81.043 -21.088 10.265 586 HA SER 83 HA SER 83 82.508 -20.345 7.971 587 HB2 SER 83 HB2 SER 83 84.496 -20.954 9.311 588 HB3 SER 83 HB1 SER 83 83.360 -19.970 10.230 589 HG SER 83 HG SER 83 83.736 -22.782 10.325 590 H GLY 84 HN GLY 84 81.835 -23.496 9.439 591 HA2 GLY 84 HA2 GLY 84 82.187 -24.871 6.946 592 HA3 GLY 84 HA1 GLY 84 83.533 -25.159 8.046 593 H THR 85 HN THR 85 82.077 -27.297 7.296 594 HA THR 85 HA THR 85 79.844 -27.909 8.945 595 HB THR 85 HB THR 85 80.464 -30.311 8.324 596 HG1 THR 85 HG1 THR 85 82.312 -28.957 6.667 597 HG21 THR 85 HG21 THR 85 78.810 -29.369 6.963 598 HG22 THR 85 HG22 THR 85 80.060 -29.795 5.798 599 HG23 THR 85 HG23 THR 85 79.889 -28.125 6.331 600 H GLY 86 HN GLY 86 83.314 -28.220 9.359 601 HA2 GLY 86 HA2 GLY 86 83.326 -29.971 11.575 602 HA3 GLY 86 HA1 GLY 86 84.603 -28.831 11.164 603 H TYR 87 HN TYR 87 83.013 -26.461 11.318 604 HA TYR 87 HA TYR 87 83.201 -25.926 14.116 605 HB2 TYR 87 HB2 TYR 87 83.576 -24.256 12.278 606 HB3 TYR 87 HB1 TYR 87 81.849 -24.271 11.978 607 HD1 TYR 87 HD1 TYR 87 84.482 -23.315 14.427 608 HD2 TYR 87 HD2 TYR 87 80.253 -23.259 13.591 609 HE1 TYR 87 HE1 TYR 87 84.132 -21.699 16.260 610 HE2 TYR 87 HE2 TYR 87 79.918 -21.644 15.426 611 HH TYR 87 HH TYR 87 81.284 -21.101 17.662 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 74.114 3.839 20.911 2 H2 MET 1 HT2 MET 1 73.374 5.039 19.960 3 H3 MET 1 HT3 MET 1 74.058 5.442 21.461 4 HA MET 1 HA MET 1 76.122 4.274 20.103 5 HB2 MET 1 HB2 MET 1 74.383 5.980 18.304 6 HB3 MET 1 HB1 MET 1 76.115 5.785 18.034 7 HG2 MET 1 HG2 MET 1 75.911 3.474 17.583 8 HG3 MET 1 HG1 MET 1 74.353 3.362 18.388 9 HE1 MET 1 HE1 MET 1 75.158 5.200 14.232 10 HE2 MET 1 HE2 MET 1 76.335 4.918 15.506 11 HE3 MET 1 HE3 MET 1 75.241 6.294 15.614 12 H GLY 2 HN GLY 2 74.320 7.315 20.471 13 HA2 GLY 2 HA2 GLY 2 76.578 9.003 20.730 14 HA3 GLY 2 HA1 GLY 2 74.943 9.384 21.262 15 H ALA 3 HN ALA 3 74.597 7.267 23.105 16 HA ALA 3 HA ALA 3 76.740 7.254 25.047 17 HB1 ALA 3 HB1 ALA 3 74.263 8.916 25.571 18 HB2 ALA 3 HB2 ALA 3 75.927 9.497 25.480 19 HB3 ALA 3 HB3 ALA 3 75.435 8.448 26.806 20 HA PRO 4 HA PRO 4 73.480 3.789 25.217 21 HB2 PRO 4 HB2 PRO 4 75.861 2.088 25.633 22 HB3 PRO 4 HB1 PRO 4 74.505 1.872 24.513 23 HG2 PRO 4 HG2 PRO 4 76.976 2.579 23.712 24 HG3 PRO 4 HG1 PRO 4 75.502 3.075 22.867 25 HD2 PRO 4 HD2 PRO 4 77.298 4.684 24.617 26 HD3 PRO 4 HD1 PRO 4 76.302 5.182 23.235 27 H VAL 5 HN VAL 5 72.727 2.859 27.123 28 HA VAL 5 HA VAL 5 73.705 3.930 29.557 29 HB VAL 5 HB VAL 5 71.732 1.664 29.426 30 HG11 VAL 5 HG11 VAL 5 72.543 2.775 31.627 31 HG12 VAL 5 HG12 VAL 5 70.810 2.640 31.374 32 HG13 VAL 5 HG13 VAL 5 71.617 4.179 31.096 33 HG21 VAL 5 HG21 VAL 5 71.368 4.520 28.513 34 HG22 VAL 5 HG22 VAL 5 70.024 3.613 29.203 35 HG23 VAL 5 HG23 VAL 5 70.812 3.032 27.739 36 HA PRO 6 HA PRO 6 76.823 0.494 30.152 37 HB2 PRO 6 HB2 PRO 6 76.653 1.124 33.041 38 HB3 PRO 6 HB1 PRO 6 78.073 1.036 31.988 39 HG2 PRO 6 HG2 PRO 6 77.012 3.341 32.911 40 HG3 PRO 6 HG1 PRO 6 77.933 3.207 31.407 41 HD2 PRO 6 HD2 PRO 6 75.046 3.658 31.793 42 HD3 PRO 6 HD1 PRO 6 76.081 3.983 30.380 43 H TYR 7 HN TYR 7 74.118 0.983 32.389 44 HA TYR 7 HA TYR 7 74.035 -1.556 33.536 45 HB2 TYR 7 HB2 TYR 7 72.016 0.618 33.103 46 HB3 TYR 7 HB1 TYR 7 71.480 -0.915 33.746 47 HD1 TYR 7 HD2 TYR 7 73.691 2.015 34.361 48 HD2 TYR 7 HD1 TYR 7 72.140 -1.645 36.034 49 HE1 TYR 7 HE2 TYR 7 74.524 2.664 36.587 50 HE2 TYR 7 HE1 TYR 7 72.978 -0.981 38.248 51 HH TYR 7 HH TYR 7 73.594 1.766 39.240 52 HA PRO 8 HA PRO 8 72.427 -3.915 30.015 53 HB2 PRO 8 HB2 PRO 8 71.148 -6.029 31.149 54 HB3 PRO 8 HB1 PRO 8 72.904 -5.832 31.248 55 HG2 PRO 8 HG2 PRO 8 70.821 -5.104 33.252 56 HG3 PRO 8 HG1 PRO 8 72.321 -6.025 33.481 57 HD2 PRO 8 HD2 PRO 8 72.178 -3.395 34.086 58 HD3 PRO 8 HD1 PRO 8 73.661 -4.125 33.434 59 H ASP 9 HN ASP 9 70.131 -5.110 29.430 60 HA ASP 9 HA ASP 9 67.813 -3.450 30.198 61 HB2 ASP 9 HB2 ASP 9 68.832 -3.764 27.371 62 HB3 ASP 9 HB1 ASP 9 67.260 -3.093 27.802 63 HA PRO 10 HA PRO 10 66.878 -7.983 29.296 64 HB2 PRO 10 HB2 PRO 10 65.821 -8.682 31.721 65 HB3 PRO 10 HB1 PRO 10 67.537 -8.847 31.308 66 HG2 PRO 10 HG2 PRO 10 66.192 -6.879 33.029 67 HG3 PRO 10 HG1 PRO 10 67.854 -7.483 33.079 68 HD2 PRO 10 HD2 PRO 10 67.022 -5.006 32.062 69 HD3 PRO 10 HD1 PRO 10 68.612 -5.750 31.817 70 H LEU 11 HN LEU 11 65.209 -5.227 30.269 71 HA LEU 11 HA LEU 11 62.566 -6.150 30.552 72 HB2 LEU 11 HB2 LEU 11 63.677 -3.506 29.584 73 HB3 LEU 11 HB1 LEU 11 61.968 -3.766 29.867 74 HG LEU 11 HG LEU 11 64.133 -4.166 31.990 75 HD11 LEU 11 HD11 LEU 11 64.250 -1.859 31.536 76 HD12 LEU 11 HD12 LEU 11 63.192 -1.984 32.939 77 HD13 LEU 11 HD13 LEU 11 62.502 -1.713 31.342 78 HD21 LEU 11 HD21 LEU 11 61.957 -3.586 33.451 79 HD22 LEU 11 HD22 LEU 11 62.354 -5.235 32.994 80 HD23 LEU 11 HD23 LEU 11 61.133 -4.345 32.095 81 H GLU 12 HN GLU 12 64.407 -5.170 27.721 82 HA GLU 12 HA GLU 12 64.018 -5.276 25.458 83 HB2 GLU 12 HB2 GLU 12 62.652 -7.816 26.374 84 HB3 GLU 12 HB1 GLU 12 62.916 -7.406 24.692 85 HG2 GLU 12 HG2 GLU 12 65.297 -7.286 26.497 86 HG3 GLU 12 HG1 GLU 12 64.661 -8.873 26.084 87 HA PRO 13 HA PRO 13 59.665 -3.470 25.994 88 HB2 PRO 13 HB2 PRO 13 60.754 -1.415 24.152 89 HB3 PRO 13 HB1 PRO 13 59.832 -1.210 25.653 90 HG2 PRO 13 HG2 PRO 13 62.448 -0.681 25.505 91 HG3 PRO 13 HG1 PRO 13 61.692 -1.328 26.970 92 HD2 PRO 13 HD2 PRO 13 63.406 -2.725 24.962 93 HD3 PRO 13 HD1 PRO 13 63.271 -2.973 26.718 94 H ARG 14 HN ARG 14 57.994 -3.723 24.557 95 HA ARG 14 HA ARG 14 58.343 -5.366 22.299 96 HB2 ARG 14 HB2 ARG 14 56.025 -3.611 23.148 97 HB3 ARG 14 HB1 ARG 14 55.941 -4.737 21.795 98 HG2 ARG 14 HG2 ARG 14 56.372 -6.643 23.281 99 HG3 ARG 14 HG1 ARG 14 56.634 -5.563 24.642 100 HD2 ARG 14 HD2 ARG 14 54.242 -4.839 24.496 101 HD3 ARG 14 HD1 ARG 14 54.027 -5.908 23.122 102 HE ARG 14 HE ARG 14 53.887 -7.699 24.566 103 HH11 ARG 14 HH21 ARG 14 55.299 -5.002 26.206 104 HH12 ARG 14 HH22 ARG 14 55.274 -5.767 27.758 105 HH21 ARG 14 HH11 ARG 14 53.864 -8.705 26.581 106 HH22 ARG 14 HH12 ARG 14 54.462 -7.864 27.971 107 H GLY 15 HN GLY 15 58.216 -1.887 22.656 108 HA2 GLY 15 HA2 GLY 15 57.783 -1.163 19.974 109 HA3 GLY 15 HA1 GLY 15 58.616 -0.175 21.170 110 H GLY 16 HN GLY 16 60.714 -2.090 21.704 111 HA2 GLY 16 HA2 GLY 16 62.728 -2.875 20.889 112 HA3 GLY 16 HA1 GLY 16 62.091 -2.732 19.257 113 H LYS 17 HN LYS 17 64.685 -1.939 20.542 114 HA LYS 17 HA LYS 17 64.746 0.976 20.399 115 HB2 LYS 17 HB2 LYS 17 67.026 -1.002 20.529 116 HB3 LYS 17 HB1 LYS 17 67.136 0.735 20.774 117 HG2 LYS 17 HG2 LYS 17 65.680 0.582 22.763 118 HG3 LYS 17 HG1 LYS 17 65.507 -1.153 22.525 119 HD2 LYS 17 HD2 LYS 17 67.950 -1.436 22.858 120 HD3 LYS 17 HD1 LYS 17 68.106 0.292 23.142 121 HE2 LYS 17 HE2 LYS 17 66.606 0.085 25.111 122 HE3 LYS 17 HE1 LYS 17 66.473 -1.649 24.813 123 HZ1 LYS 17 HZ1 LYS 17 68.388 -1.987 25.824 124 HZ2 LYS 17 HZ2 LYS 17 68.423 -0.346 26.268 125 HZ3 LYS 17 HZ3 LYS 17 69.185 -0.859 24.838 126 H HIS 18 HN HIS 18 66.103 -1.730 18.518 127 HA HIS 18 HA HIS 18 67.194 -0.174 16.480 128 HB2 HIS 18 HB2 HIS 18 67.174 -2.842 17.003 129 HB3 HIS 18 HB1 HIS 18 66.107 -2.804 15.632 130 HD2 HIS 18 HD2 HIS 18 67.835 -0.428 13.957 131 HE1 HIS 18 HE1 HIS 18 70.925 -3.284 14.164 132 H ILE 19 HN ILE 19 64.039 -1.841 16.471 133 HA ILE 19 HA ILE 19 63.219 -0.451 14.015 134 HB ILE 19 HB ILE 19 62.108 -2.818 15.558 135 HG12 ILE 19 HG12 ILE 19 62.909 -2.876 12.663 136 HG13 ILE 19 HG11 ILE 19 64.185 -2.899 13.861 137 HG21 ILE 19 HG21 ILE 19 60.096 -1.953 14.698 138 HG22 ILE 19 HG22 ILE 19 60.618 -2.983 13.380 139 HG23 ILE 19 HG23 ILE 19 60.879 -1.259 13.284 140 HD11 ILE 19 HD11 ILE 19 61.866 -4.847 13.933 141 HD12 ILE 19 HD12 ILE 19 63.390 -4.951 14.817 142 HD13 ILE 19 HD13 ILE 19 63.367 -5.175 13.073 143 H CYS 20 HN CYS 20 62.314 1.482 14.398 144 HA CYS 20 HA CYS 20 60.916 2.073 16.859 145 HB2 CYS 20 HB2 CYS 20 61.945 3.941 15.877 146 HB3 CYS 20 HB1 CYS 20 61.351 3.575 14.298 147 H ALA 21 HN ALA 21 58.688 2.174 17.138 148 HA ALA 21 HA ALA 21 57.165 0.273 15.728 149 HB1 ALA 21 HB1 ALA 21 56.800 1.016 18.095 150 HB2 ALA 21 HB2 ALA 21 55.333 0.966 17.117 151 HB3 ALA 21 HB3 ALA 21 56.114 2.510 17.457 152 H ILE 22 HN ILE 22 57.856 3.509 14.994 153 HA ILE 22 HA ILE 22 55.554 3.809 13.188 154 HB ILE 22 HB ILE 22 57.266 5.926 14.544 155 HG12 ILE 22 HG12 ILE 22 54.282 5.707 14.892 156 HG13 ILE 22 HG11 ILE 22 55.277 4.589 15.793 157 HG21 ILE 22 HG21 ILE 22 56.630 6.994 12.502 158 HG22 ILE 22 HG22 ILE 22 55.383 7.492 13.613 159 HG23 ILE 22 HG23 ILE 22 55.064 6.200 12.467 160 HD11 ILE 22 HD11 ILE 22 54.677 6.741 17.005 161 HD12 ILE 22 HD12 ILE 22 55.732 7.579 15.871 162 HD13 ILE 22 HD13 ILE 22 56.398 6.362 16.960 163 H CYS 23 HN CYS 23 58.765 5.293 13.340 164 HA CYS 23 HA CYS 23 58.979 5.469 10.480 165 HB2 CYS 23 HB2 CYS 23 61.317 6.021 12.200 166 HB3 CYS 23 HB1 CYS 23 60.635 6.971 10.890 167 H GLY 24 HN GLY 24 60.029 3.193 12.808 168 HA2 GLY 24 HA2 GLY 24 61.074 1.161 12.511 169 HA3 GLY 24 HA1 GLY 24 61.194 1.480 10.804 170 H ASN 25 HN ASN 25 62.535 4.141 11.981 171 HA ASN 25 HA ASN 25 65.162 3.075 12.770 172 HB2 ASN 25 HB2 ASN 25 64.594 4.145 10.038 173 HB3 ASN 25 HB1 ASN 25 66.195 4.400 10.707 174 HD21 ASN 25 HD21 ASN 25 64.335 2.205 8.953 175 HD22 ASN 25 HD22 ASN 25 65.299 0.829 9.188 176 H ASN 26 HN ASN 26 63.130 5.302 13.584 177 HA ASN 26 HA ASN 26 64.935 7.636 13.681 178 HB2 ASN 26 HB2 ASN 26 62.152 7.084 14.370 179 HB3 ASN 26 HB1 ASN 26 62.945 8.260 15.365 180 HD21 ASN 26 HD21 ASN 26 62.017 10.193 14.518 181 HD22 ASN 26 HD22 ASN 26 62.180 10.674 12.906 182 H ALA 27 HN ALA 27 63.642 5.168 15.775 183 HA ALA 27 HA ALA 27 64.611 6.029 18.232 184 HB1 ALA 27 HB1 ALA 27 63.053 4.229 18.180 185 HB2 ALA 27 HB2 ALA 27 64.552 3.558 18.813 186 HB3 ALA 27 HB3 ALA 27 64.093 3.264 17.128 187 H GLU 28 HN GLU 28 66.236 4.451 15.555 188 HA GLU 28 HA GLU 28 68.520 3.609 16.929 189 HB2 GLU 28 HB2 GLU 28 67.923 2.729 14.738 190 HB3 GLU 28 HB1 GLU 28 68.020 4.331 14.027 191 HG2 GLU 28 HG2 GLU 28 70.323 4.353 14.033 192 HG3 GLU 28 HG1 GLU 28 70.458 3.220 15.367 193 H ASP 29 HN ASP 29 67.589 6.681 15.451 194 HA ASP 29 HA ASP 29 69.987 8.008 16.566 195 HB2 ASP 29 HB2 ASP 29 69.920 9.504 14.535 196 HB3 ASP 29 HB1 ASP 29 70.383 7.842 14.241 197 H TYR 30 HN TYR 30 68.002 10.168 14.854 198 HA TYR 30 HA TYR 30 67.111 11.441 17.320 199 HB2 TYR 30 HB2 TYR 30 66.924 12.311 14.433 200 HB3 TYR 30 HB1 TYR 30 66.527 13.294 15.827 201 HD1 TYR 30 HD2 TYR 30 68.308 13.857 17.548 202 HD2 TYR 30 HD1 TYR 30 69.288 12.004 13.780 203 HE1 TYR 30 HE2 TYR 30 70.676 14.510 17.830 204 HE2 TYR 30 HE1 TYR 30 71.642 12.657 14.076 205 HH TYR 30 HH TYR 30 72.980 14.242 15.277 206 H LYS 31 HN LYS 31 64.899 12.449 17.319 207 HA LYS 31 HA LYS 31 62.819 10.663 16.220 208 HB2 LYS 31 HB2 LYS 31 62.916 11.995 18.934 209 HB3 LYS 31 HB1 LYS 31 61.541 11.091 18.304 210 HG2 LYS 31 HG2 LYS 31 62.933 9.036 18.175 211 HG3 LYS 31 HG1 LYS 31 64.318 9.926 18.793 212 HD2 LYS 31 HD2 LYS 31 63.108 10.356 20.919 213 HD3 LYS 31 HD1 LYS 31 61.705 9.490 20.303 214 HE2 LYS 31 HE2 LYS 31 62.995 8.037 21.777 215 HE3 LYS 31 HE1 LYS 31 63.091 7.415 20.136 216 HZ1 LYS 31 HZ1 LYS 31 65.262 8.209 19.894 217 HZ2 LYS 31 HZ2 LYS 31 65.231 7.567 21.466 218 HZ3 LYS 31 HZ3 LYS 31 65.142 9.246 21.231 219 H HIS 32 HN HIS 32 63.174 12.370 14.505 220 HA HIS 32 HA HIS 32 61.573 14.810 15.029 221 HB2 HIS 32 HB2 HIS 32 63.483 14.075 12.822 222 HB3 HIS 32 HB1 HIS 32 62.446 15.495 12.766 223 HD2 HIS 32 HD2 HIS 32 65.960 14.828 13.760 224 HE1 HIS 32 HE1 HIS 32 64.713 17.812 16.477 225 HE2 HIS 32 HE2 HIS 32 66.728 16.584 15.538 226 H THR 33 HN THR 33 61.744 11.964 12.965 227 HA THR 33 HA THR 33 59.384 12.763 11.443 228 HB THR 33 HB THR 33 59.770 10.921 10.075 229 HG1 THR 33 HG1 THR 33 60.057 9.123 11.062 230 HG21 THR 33 HG21 THR 33 62.006 11.130 9.401 231 HG22 THR 33 HG22 THR 33 62.589 11.337 11.050 232 HG23 THR 33 HG23 THR 33 61.714 12.644 10.253 233 H ASP 34 HN ASP 34 59.921 11.416 14.456 234 HA ASP 34 HA ASP 34 57.906 9.415 14.566 235 HB2 ASP 34 HB2 ASP 34 59.278 11.119 16.618 236 HB3 ASP 34 HB1 ASP 34 57.824 10.244 17.088 237 H MET 35 HN MET 35 57.797 12.881 14.751 238 HA MET 35 HA MET 35 55.187 13.170 15.818 239 HB2 MET 35 HB2 MET 35 56.922 14.942 14.090 240 HB3 MET 35 HB1 MET 35 55.303 15.428 14.575 241 HG2 MET 35 HG2 MET 35 57.279 14.498 16.651 242 HG3 MET 35 HG1 MET 35 57.352 16.147 16.047 243 HE1 MET 35 HE1 MET 35 56.133 18.022 17.387 244 HE2 MET 35 HE2 MET 35 54.376 17.946 17.379 245 HE3 MET 35 HE3 MET 35 55.259 17.693 15.882 246 H ASP 36 HN ASP 36 56.386 12.877 12.503 247 HA ASP 36 HA ASP 36 53.750 13.137 11.317 248 HB2 ASP 36 HB2 ASP 36 55.870 13.926 10.238 249 HB3 ASP 36 HB1 ASP 36 56.325 12.242 10.012 250 H LEU 37 HN LEU 37 52.332 11.546 11.451 251 HA LEU 37 HA LEU 37 53.128 8.745 11.725 252 HB2 LEU 37 HB2 LEU 37 50.412 10.087 11.593 253 HB3 LEU 37 HB1 LEU 37 50.646 8.368 11.842 254 HG LEU 37 HG LEU 37 51.752 10.544 13.693 255 HD11 LEU 37 HD11 LEU 37 49.428 10.756 13.939 256 HD12 LEU 37 HD12 LEU 37 49.910 9.699 15.262 257 HD13 LEU 37 HD13 LEU 37 49.154 9.018 13.826 258 HD21 LEU 37 HD21 LEU 37 53.016 8.709 14.336 259 HD22 LEU 37 HD22 LEU 37 51.801 7.530 13.850 260 HD23 LEU 37 HD23 LEU 37 51.592 8.449 15.332 261 H THR 38 HN THR 38 53.203 7.322 10.125 262 HA THR 38 HA THR 38 51.653 7.613 7.691 263 HB THR 38 HB THR 38 53.651 9.064 7.262 264 HG1 THR 38 HG1 THR 38 53.890 8.255 5.256 265 HG21 THR 38 HG21 THR 38 55.175 7.335 8.626 266 HG22 THR 38 HG22 THR 38 55.829 8.287 7.306 267 HG23 THR 38 HG23 THR 38 55.356 6.613 7.029 268 H TYR 39 HN TYR 39 51.716 5.746 6.351 269 HA TYR 39 HA TYR 39 53.179 3.385 7.178 270 HB2 TYR 39 HB2 TYR 39 51.301 3.403 8.801 271 HB3 TYR 39 HB1 TYR 39 50.164 3.453 7.474 272 HD1 TYR 39 HD1 TYR 39 52.821 1.396 9.099 273 HD2 TYR 39 HD2 TYR 39 49.641 1.401 6.185 274 HE1 TYR 39 HE1 TYR 39 52.954 -1.061 8.933 275 HE2 TYR 39 HE2 TYR 39 49.788 -1.047 6.033 276 HH TYR 39 HH TYR 39 50.617 -2.952 7.658 277 H THR 40 HN THR 40 53.784 2.525 5.339 278 HA THR 40 HA THR 40 51.901 1.913 3.223 279 HB THR 40 HB THR 40 52.554 4.275 2.704 280 HG1 THR 40 HG1 THR 40 52.055 3.270 0.905 281 HG21 THR 40 HG21 THR 40 55.034 3.766 3.584 282 HG22 THR 40 HG22 THR 40 54.732 4.949 2.322 283 HG23 THR 40 HG23 THR 40 55.278 3.332 1.894 284 H ASP 41 HN ASP 41 52.728 0.435 1.680 285 HA ASP 41 HA ASP 41 54.809 -1.299 2.731 286 HB2 ASP 41 HB2 ASP 41 52.629 -2.065 1.611 287 HB3 ASP 41 HB1 ASP 41 53.377 -1.604 0.085 288 H ARG 42 HN ARG 42 56.889 -1.046 2.279 289 HA ARG 42 HA ARG 42 57.827 0.815 0.306 290 HB2 ARG 42 HB2 ARG 42 59.291 -1.258 1.967 291 HB3 ARG 42 HB1 ARG 42 60.085 -0.060 0.951 292 HG2 ARG 42 HG2 ARG 42 59.072 1.772 2.298 293 HG3 ARG 42 HG1 ARG 42 58.250 0.587 3.301 294 HD2 ARG 42 HD2 ARG 42 60.435 -0.302 4.049 295 HD3 ARG 42 HD1 ARG 42 61.273 0.873 3.052 296 HE ARG 42 HE ARG 42 60.034 1.317 5.616 297 HH11 ARG 42 HH21 ARG 42 60.911 2.823 2.629 298 HH12 ARG 42 HH22 ARG 42 60.984 4.414 3.309 299 HH21 ARG 42 HH11 ARG 42 60.123 3.384 6.501 300 HH22 ARG 42 HH12 ARG 42 60.540 4.731 5.497 301 H ASP 43 HN ASP 43 58.596 0.462 -1.705 302 HA ASP 43 HA ASP 43 57.855 -1.945 -3.055 303 HB2 ASP 43 HB2 ASP 43 59.525 0.424 -3.929 304 HB3 ASP 43 HB1 ASP 43 59.019 -0.881 -5.000 305 H TYR 44 HN TYR 44 59.078 -3.621 -3.786 306 HA TYR 44 HA TYR 44 61.399 -4.349 -2.354 307 HB2 TYR 44 HB2 TYR 44 60.330 -5.400 -4.985 308 HB3 TYR 44 HB1 TYR 44 61.598 -6.162 -4.052 309 HD1 TYR 44 HD2 TYR 44 57.980 -5.297 -4.095 310 HD2 TYR 44 HD1 TYR 44 61.091 -7.350 -1.922 311 HE1 TYR 44 HE2 TYR 44 56.279 -6.418 -2.703 312 HE2 TYR 44 HE1 TYR 44 59.382 -8.460 -0.543 313 HH TYR 44 HH TYR 44 55.901 -7.919 -1.114 314 H LYS 45 HN LYS 45 60.941 -3.013 -5.611 315 HA LYS 45 HA LYS 45 63.687 -3.074 -6.324 316 HB2 LYS 45 HB2 LYS 45 61.559 -2.746 -7.824 317 HB3 LYS 45 HB1 LYS 45 61.731 -1.046 -7.408 318 HG2 LYS 45 HG2 LYS 45 64.047 -1.053 -8.336 319 HG3 LYS 45 HG1 LYS 45 63.872 -2.753 -8.766 320 HD2 LYS 45 HD2 LYS 45 62.011 -2.202 -10.305 321 HD3 LYS 45 HD1 LYS 45 62.156 -0.499 -9.886 322 HE2 LYS 45 HE2 LYS 45 64.459 -0.470 -10.810 323 HE3 LYS 45 HE1 LYS 45 64.305 -2.178 -11.234 324 HZ1 LYS 45 HZ1 LYS 45 63.488 -1.444 -13.146 325 HZ2 LYS 45 HZ2 LYS 45 63.267 0.136 -12.561 326 HZ3 LYS 45 HZ3 LYS 45 62.078 -1.047 -12.291 327 H ASN 46 HN ASN 46 65.301 -1.669 -5.969 328 HA ASN 46 HA ASN 46 64.825 1.031 -4.958 329 HB2 ASN 46 HB2 ASN 46 66.187 -1.123 -3.333 330 HB3 ASN 46 HB1 ASN 46 66.442 0.595 -3.039 331 HD21 ASN 46 HD21 ASN 46 64.516 -2.010 -2.100 332 HD22 ASN 46 HD22 ASN 46 63.194 -1.141 -1.489 333 H CYS 47 HN CYS 47 66.606 2.390 -5.178 334 HA CYS 47 HA CYS 47 68.324 1.813 -7.341 335 HB2 CYS 47 HB2 CYS 47 68.344 3.999 -5.264 336 HB3 CYS 47 HB1 CYS 47 69.485 3.945 -6.608 337 HG CYS 47 HG CYS 47 67.588 4.369 -8.259 338 H GLU 48 HN GLU 48 68.815 1.756 -3.840 339 HA GLU 48 HA GLU 48 71.394 0.312 -4.183 340 HB2 GLU 48 HB2 GLU 48 70.757 2.530 -2.218 341 HB3 GLU 48 HB1 GLU 48 72.189 1.506 -2.123 342 HG2 GLU 48 HG2 GLU 48 72.948 2.332 -4.330 343 HG3 GLU 48 HG1 GLU 48 71.506 3.335 -4.455 344 H SER 49 HN SER 49 71.744 -1.372 -2.825 345 HA SER 49 HA SER 49 70.200 -1.833 -0.445 346 HB2 SER 49 HB2 SER 49 69.182 -3.962 -1.283 347 HB3 SER 49 HB1 SER 49 68.492 -2.512 -2.005 348 HG SER 49 HG SER 49 69.485 -2.948 -3.864 349 H TYR 50 HN TYR 50 70.926 -3.682 0.725 350 HA TYR 50 HA TYR 50 73.279 -5.140 -0.295 351 HB2 TYR 50 HB2 TYR 50 73.149 -3.324 2.085 352 HB3 TYR 50 HB1 TYR 50 74.149 -4.758 2.171 353 HD1 TYR 50 HD1 TYR 50 76.038 -5.099 0.526 354 HD2 TYR 50 HD2 TYR 50 73.799 -1.413 0.646 355 HE1 TYR 50 HE1 TYR 50 77.808 -3.970 -0.767 356 HE2 TYR 50 HE2 TYR 50 75.578 -0.302 -0.650 357 HH TYR 50 HH TYR 50 78.018 -0.615 -1.077 358 H HIS 51 HN HIS 51 73.437 -7.198 0.470 359 HA HIS 51 HA HIS 51 71.124 -8.276 1.969 360 HB2 HIS 51 HB2 HIS 51 73.194 -9.559 0.177 361 HB3 HIS 51 HB1 HIS 51 72.003 -10.471 1.101 362 HD2 HIS 51 HD2 HIS 51 69.382 -10.393 0.069 363 HE1 HIS 51 HE1 HIS 51 70.253 -7.959 -3.267 364 HE2 HIS 51 HE2 HIS 51 68.478 -9.405 -2.169 365 H LYS 52 HN LYS 52 74.179 -7.181 2.515 366 HA LYS 52 HA LYS 52 75.370 -9.194 4.084 367 HB2 LYS 52 HB2 LYS 52 75.644 -6.184 4.208 368 HB3 LYS 52 HB1 LYS 52 76.667 -7.300 5.106 369 HG2 LYS 52 HG2 LYS 52 77.472 -8.311 3.000 370 HG3 LYS 52 HG1 LYS 52 76.396 -7.267 2.073 371 HD2 LYS 52 HD2 LYS 52 77.637 -5.266 2.889 372 HD3 LYS 52 HD1 LYS 52 78.693 -6.307 3.839 373 HE2 LYS 52 HE2 LYS 52 79.518 -7.371 1.770 374 HE3 LYS 52 HE1 LYS 52 78.436 -6.360 0.810 375 HZ1 LYS 52 HZ1 LYS 52 80.653 -5.440 0.891 376 HZ2 LYS 52 HZ2 LYS 52 80.604 -5.393 2.588 377 HZ3 LYS 52 HZ3 LYS 52 79.559 -4.410 1.677 378 H CYS 53 HN CYS 53 73.127 -6.584 4.954 379 HA CYS 53 HA CYS 53 72.970 -7.618 7.730 380 HB2 CYS 53 HB2 CYS 53 72.067 -4.963 6.624 381 HB3 CYS 53 HB1 CYS 53 72.148 -5.432 8.323 382 HG CYS 53 HG CYS 53 74.842 -5.638 6.867 383 H SER 54 HN SER 54 70.774 -7.265 8.719 384 HA SER 54 HA SER 54 68.844 -8.891 7.543 385 HB2 SER 54 HB2 SER 54 67.448 -8.306 9.326 386 HB3 SER 54 HB1 SER 54 69.053 -7.978 9.974 387 HG SER 54 HG SER 54 68.731 -5.849 9.728 388 H ASP 55 HN ASP 55 69.573 -5.588 6.960 389 HA ASP 55 HA ASP 55 68.897 -4.089 5.395 390 HB2 ASP 55 HB2 ASP 55 68.377 -6.370 4.100 391 HB3 ASP 55 HB1 ASP 55 66.722 -5.788 4.293 392 H LEU 56 HN LEU 56 66.951 -5.336 7.800 393 HA LEU 56 HA LEU 56 64.544 -3.890 7.382 394 HB2 LEU 56 HB2 LEU 56 65.855 -4.776 9.974 395 HB3 LEU 56 HB1 LEU 56 64.185 -4.272 9.817 396 HG LEU 56 HG LEU 56 65.451 -6.728 8.495 397 HD11 LEU 56 HD11 LEU 56 63.543 -6.533 10.842 398 HD12 LEU 56 HD12 LEU 56 65.209 -7.110 10.875 399 HD13 LEU 56 HD13 LEU 56 63.975 -8.026 10.017 400 HD21 LEU 56 HD21 LEU 56 63.693 -6.339 7.034 401 HD22 LEU 56 HD22 LEU 56 62.691 -5.543 8.245 402 HD23 LEU 56 HD23 LEU 56 62.869 -7.291 8.259 403 H CYS 57 HN CYS 57 67.567 -3.253 9.132 404 HA CYS 57 HA CYS 57 66.764 -0.490 9.709 405 HB2 CYS 57 HB2 CYS 57 67.762 -1.492 11.537 406 HB3 CYS 57 HB1 CYS 57 68.983 -2.308 10.601 407 H GLN 58 HN GLN 58 67.519 1.214 8.575 408 HA GLN 58 HA GLN 58 68.685 0.709 6.014 409 HB2 GLN 58 HB2 GLN 58 68.335 3.051 5.580 410 HB3 GLN 58 HB1 GLN 58 66.923 2.396 6.395 411 HG2 GLN 58 HG2 GLN 58 68.090 3.278 8.589 412 HG3 GLN 58 HG1 GLN 58 69.040 4.265 7.485 413 HE21 GLN 58 HE21 GLN 58 68.182 6.282 7.206 414 HE22 GLN 58 HE22 GLN 58 66.528 6.661 7.242 415 H TYR 59 HN TYR 59 69.900 2.211 8.960 416 HA TYR 59 HA TYR 59 72.342 3.135 7.743 417 HB2 TYR 59 HB2 TYR 59 70.893 3.704 10.035 418 HB3 TYR 59 HB1 TYR 59 72.371 2.985 10.629 419 HD1 TYR 59 HD2 TYR 59 70.960 5.740 8.565 420 HD2 TYR 59 HD1 TYR 59 74.557 4.113 10.296 421 HE1 TYR 59 HE2 TYR 59 72.169 7.833 8.048 422 HE2 TYR 59 HE1 TYR 59 75.749 6.205 9.769 423 HH TYR 59 HH TYR 59 74.059 8.992 8.369 424 H CYS 60 HN CYS 60 71.316 0.182 9.197 425 HA CYS 60 HA CYS 60 73.822 -0.742 10.122 426 HB2 CYS 60 HB2 CYS 60 71.189 -1.930 9.507 427 HB3 CYS 60 HB1 CYS 60 72.549 -3.018 9.604 428 H ARG 61 HN ARG 61 72.274 -0.655 7.016 429 HA ARG 61 HA ARG 61 73.442 -2.716 5.576 430 HB2 ARG 61 HB2 ARG 61 72.754 0.118 4.771 431 HB3 ARG 61 HB1 ARG 61 73.321 -1.081 3.613 432 HG2 ARG 61 HG2 ARG 61 71.422 -2.509 4.005 433 HG3 ARG 61 HG1 ARG 61 70.939 -1.578 5.423 434 HD2 ARG 61 HD2 ARG 61 69.542 -1.122 3.389 435 HD3 ARG 61 HD1 ARG 61 70.316 0.313 4.024 436 HE ARG 61 HE ARG 61 71.955 -0.889 2.044 437 HH11 ARG 61 HH21 ARG 61 69.039 0.913 2.476 438 HH12 ARG 61 HH22 ARG 61 69.114 1.669 0.919 439 HH21 ARG 61 HH11 ARG 61 72.068 0.095 0.007 440 HH22 ARG 61 HH12 ARG 61 70.831 1.205 -0.481 441 H TYR 62 HN TYR 62 74.874 0.418 6.411 442 HA TYR 62 HA TYR 62 77.341 -0.146 4.938 443 HB2 TYR 62 HB2 TYR 62 76.546 2.231 6.621 444 HB3 TYR 62 HB1 TYR 62 77.987 2.107 5.635 445 HD1 TYR 62 HD1 TYR 62 77.781 1.804 3.120 446 HD2 TYR 62 HD2 TYR 62 74.372 2.790 5.579 447 HE1 TYR 62 HE1 TYR 62 76.525 2.515 1.116 448 HE2 TYR 62 HE2 TYR 62 73.145 3.505 3.572 449 HH TYR 62 HH TYR 62 74.676 3.842 0.479 450 H GLN 63 HN GLN 63 76.388 0.687 8.259 451 HA GLN 63 HA GLN 63 78.569 -0.964 9.388 452 HB2 GLN 63 HB2 GLN 63 78.097 1.975 9.996 453 HB3 GLN 63 HB1 GLN 63 79.010 0.914 11.057 454 HG2 GLN 63 HG2 GLN 63 80.659 0.510 9.263 455 HG3 GLN 63 HG1 GLN 63 79.729 1.523 8.169 456 HE21 GLN 63 HE21 GLN 63 82.110 2.513 8.289 457 HE22 GLN 63 HE22 GLN 63 82.283 3.788 9.395 458 H LYS 64 HN LYS 64 77.601 -2.336 10.685 459 HA LYS 64 HA LYS 64 75.058 -2.366 11.654 460 HB2 LYS 64 HB2 LYS 64 77.559 -3.438 12.932 461 HB3 LYS 64 HB1 LYS 64 75.962 -3.836 13.509 462 HG2 LYS 64 HG2 LYS 64 76.966 -4.394 10.681 463 HG3 LYS 64 HG1 LYS 64 77.021 -5.565 11.980 464 HD2 LYS 64 HD2 LYS 64 74.354 -5.044 12.055 465 HD3 LYS 64 HD1 LYS 64 74.663 -4.570 10.391 466 HE2 LYS 64 HE2 LYS 64 75.768 -6.817 10.039 467 HE3 LYS 64 HE1 LYS 64 75.181 -7.285 11.640 468 HZ1 LYS 64 HZ1 LYS 64 72.927 -6.683 10.876 469 HZ2 LYS 64 HZ2 LYS 64 73.613 -7.998 10.046 470 HZ3 LYS 64 HZ3 LYS 64 73.551 -6.467 9.315 471 H ASP 65 HN ASP 65 73.937 -1.804 13.438 472 HA ASP 65 HA ASP 65 75.110 0.181 15.323 473 HB2 ASP 65 HB2 ASP 65 72.207 0.228 14.729 474 HB3 ASP 65 HB1 ASP 65 73.275 1.541 15.144 475 H LEU 66 HN LEU 66 74.612 -2.855 15.419 476 HA LEU 66 HA LEU 66 72.470 -3.376 17.161 477 HB2 LEU 66 HB2 LEU 66 75.040 -4.884 16.665 478 HB3 LEU 66 HB1 LEU 66 73.758 -5.534 17.665 479 HG LEU 66 HG LEU 66 73.071 -4.638 14.863 480 HD11 LEU 66 HD11 LEU 66 74.957 -6.063 14.389 481 HD12 LEU 66 HD12 LEU 66 73.519 -7.043 14.158 482 HD13 LEU 66 HD13 LEU 66 74.469 -7.216 15.630 483 HD21 LEU 66 HD21 LEU 66 71.358 -5.532 16.633 484 HD22 LEU 66 HD22 LEU 66 72.110 -7.091 16.348 485 HD23 LEU 66 HD23 LEU 66 71.325 -6.241 15.024 486 H ALA 67 HN ALA 67 74.815 -1.327 18.028 487 HA ALA 67 HA ALA 67 75.741 -2.288 20.512 488 HB1 ALA 67 HB1 ALA 67 76.054 0.202 20.986 489 HB2 ALA 67 HB2 ALA 67 75.403 0.484 19.372 490 HB3 ALA 67 HB3 ALA 67 76.895 -0.436 19.573 491 H ILE 68 HN ILE 68 72.847 -0.478 19.528 492 HA ILE 68 HA ILE 68 71.963 -0.066 22.218 493 HB ILE 68 HB ILE 68 69.697 0.397 20.943 494 HG12 ILE 68 HG12 ILE 68 71.564 1.097 18.684 495 HG13 ILE 68 HG11 ILE 68 70.910 -0.529 18.735 496 HG21 ILE 68 HG21 ILE 68 72.181 2.137 20.915 497 HG22 ILE 68 HG22 ILE 68 70.821 2.198 22.047 498 HG23 ILE 68 HG23 ILE 68 70.610 2.733 20.391 499 HD11 ILE 68 HD11 ILE 68 68.647 0.263 18.589 500 HD12 ILE 68 HD12 ILE 68 69.557 1.141 17.366 501 HD13 ILE 68 HD13 ILE 68 69.137 1.931 18.880 502 H HIS 69 HN HIS 69 70.270 -1.996 19.697 503 HA HIS 69 HA HIS 69 68.942 -3.570 21.738 504 HB2 HIS 69 HB2 HIS 69 68.176 -2.985 19.320 505 HB3 HIS 69 HB1 HIS 69 69.076 -4.427 18.877 506 HD2 HIS 69 HD2 HIS 69 65.560 -3.674 19.869 507 HE1 HIS 69 HE1 HIS 69 66.277 -7.517 21.463 508 HE2 HIS 69 HE2 HIS 69 64.481 -5.813 20.904 509 H HIS 70 HN HIS 70 69.750 -5.265 22.778 510 HA HIS 70 HA HIS 70 72.314 -6.356 22.192 511 HB2 HIS 70 HB2 HIS 70 70.099 -7.203 24.058 512 HB3 HIS 70 HB1 HIS 70 71.622 -8.082 23.930 513 HD2 HIS 70 HD2 HIS 70 70.270 -4.722 25.396 514 HE1 HIS 70 HE1 HIS 70 74.396 -4.927 26.258 515 HE2 HIS 70 HE2 HIS 70 72.251 -3.642 26.704 516 H GLN 71 HN GLN 71 69.006 -7.507 21.705 517 HA GLN 71 HA GLN 71 68.107 -9.176 20.449 518 HB2 GLN 71 HB2 GLN 71 69.548 -7.844 18.715 519 HB3 GLN 71 HB1 GLN 71 70.603 -9.243 18.746 520 HG2 GLN 71 HG2 GLN 71 68.492 -10.652 18.273 521 HG3 GLN 71 HG1 GLN 71 67.700 -9.123 17.904 522 HE21 GLN 71 HE21 GLN 71 68.202 -11.236 15.950 523 HE22 GLN 71 HE22 GLN 71 69.253 -10.587 14.786 524 H HIS 72 HN HIS 72 67.941 -10.880 21.779 525 HA HIS 72 HA HIS 72 70.169 -12.469 22.649 526 HB2 HIS 72 HB2 HIS 72 67.185 -12.967 22.770 527 HB3 HIS 72 HB1 HIS 72 68.401 -13.977 23.550 528 HD2 HIS 72 HD2 HIS 72 66.329 -10.915 24.409 529 HE1 HIS 72 HE1 HIS 72 69.668 -10.775 26.985 530 HE2 HIS 72 HE2 HIS 72 67.368 -9.804 26.533 531 H HIS 73 HN HIS 73 70.926 -14.375 21.876 532 HA HIS 73 HA HIS 73 70.398 -15.044 19.147 533 HB2 HIS 73 HB2 HIS 73 71.987 -16.435 21.312 534 HB3 HIS 73 HB1 HIS 73 71.921 -16.985 19.638 535 HD2 HIS 73 HD2 HIS 73 73.371 -15.385 17.803 536 HE1 HIS 73 HE1 HIS 73 74.927 -12.698 20.665 537 HE2 HIS 73 HE2 HIS 73 75.055 -13.437 18.239 538 H HIS 74 HN HIS 74 69.128 -16.608 18.289 539 HA HIS 74 HA HIS 74 66.998 -17.683 19.821 540 HB2 HIS 74 HB2 HIS 74 68.028 -18.359 17.058 541 HB3 HIS 74 HB1 HIS 74 66.557 -19.045 17.749 542 HD2 HIS 74 HD2 HIS 74 67.656 -15.868 15.895 543 HE1 HIS 74 HE1 HIS 74 63.864 -15.031 17.542 544 HE2 HIS 74 HE2 HIS 74 65.638 -14.208 15.929 545 H GLY 75 HN GLY 75 69.993 -19.104 18.544 546 HA2 GLY 75 HA2 GLY 75 71.185 -20.956 19.223 547 HA3 GLY 75 HA1 GLY 75 70.194 -20.980 20.679 548 H GLY 76 HN GLY 76 70.632 -23.385 20.044 549 HA2 GLY 76 HA2 GLY 76 69.591 -25.391 19.582 550 HA3 GLY 76 HA1 GLY 76 68.141 -24.481 19.173 551 H SER 77 HN SER 77 68.187 -26.353 17.541 552 HA SER 77 HA SER 77 70.001 -26.184 15.322 553 HB2 SER 77 HB2 SER 77 68.826 -27.986 14.435 554 HB3 SER 77 HB1 SER 77 68.564 -28.198 16.163 555 HG SER 77 HG SER 77 66.722 -28.064 14.404 556 H MET 78 HN MET 78 69.165 -25.855 13.066 557 HA MET 78 HA MET 78 68.089 -23.257 12.780 558 HB2 MET 78 HB2 MET 78 68.568 -25.534 10.852 559 HB3 MET 78 HB1 MET 78 67.829 -24.027 10.323 560 HG2 MET 78 HG2 MET 78 70.422 -23.978 11.861 561 HG3 MET 78 HG1 MET 78 70.429 -24.312 10.136 562 HE1 MET 78 HE1 MET 78 70.841 -22.324 8.484 563 HE2 MET 78 HE2 MET 78 69.550 -21.134 8.391 564 HE3 MET 78 HE3 MET 78 69.152 -22.846 8.399 565 H GLY 79 HN GLY 79 66.646 -26.477 12.482 566 HA2 GLY 79 HA2 GLY 79 64.086 -25.549 11.600 567 HA3 GLY 79 HA1 GLY 79 64.456 -27.154 12.222 568 H MET 80 HN MET 80 62.344 -24.910 12.746 569 HA MET 80 HA MET 80 62.602 -24.147 15.465 570 HB2 MET 80 HB2 MET 80 60.244 -24.381 13.590 571 HB3 MET 80 HB1 MET 80 60.044 -23.885 15.267 572 HG2 MET 80 HG2 MET 80 61.391 -21.927 14.950 573 HG3 MET 80 HG1 MET 80 61.974 -22.506 13.386 574 HE1 MET 80 HE1 MET 80 59.849 -19.467 12.313 575 HE2 MET 80 HE2 MET 80 61.323 -20.381 12.000 576 HE3 MET 80 HE3 MET 80 61.040 -19.694 13.599 577 H SER 81 HN SER 81 61.095 -26.920 13.872 578 HA SER 81 HA SER 81 59.824 -28.032 16.128 579 HB2 SER 81 HB2 SER 81 59.839 -30.136 14.833 580 HB3 SER 81 HB1 SER 81 59.324 -28.767 13.853 581 HG SER 81 HG SER 81 60.887 -29.360 12.581 582 H GLY 82 HN GLY 82 63.102 -28.405 14.853 583 HA2 GLY 82 HA2 GLY 82 65.040 -29.059 15.929 584 HA3 GLY 82 HA1 GLY 82 64.127 -29.214 17.424 585 H SER 83 HN SER 83 62.886 -30.838 14.652 586 HA SER 83 HA SER 83 62.955 -33.389 15.855 587 HB2 SER 83 HB2 SER 83 61.355 -32.776 14.085 588 HB3 SER 83 HB1 SER 83 62.676 -32.671 12.926 589 HG SER 83 HG SER 83 61.867 -34.962 14.405 590 H GLY 84 HN GLY 84 65.034 -31.882 13.402 591 HA2 GLY 84 HA2 GLY 84 67.330 -33.362 14.191 592 HA3 GLY 84 HA1 GLY 84 66.633 -34.055 12.730 593 H THR 85 HN THR 85 68.976 -33.285 12.162 594 HA THR 85 HA THR 85 68.693 -30.915 10.512 595 HB THR 85 HB THR 85 69.421 -29.711 12.377 596 HG1 THR 85 HG1 THR 85 71.947 -29.835 11.816 597 HG21 THR 85 HG21 THR 85 71.102 -32.134 13.000 598 HG22 THR 85 HG22 THR 85 69.961 -31.276 14.026 599 HG23 THR 85 HG23 THR 85 71.528 -30.560 13.665 600 H GLY 86 HN GLY 86 70.460 -30.639 9.006 601 HA2 GLY 86 HA2 GLY 86 71.349 -33.129 7.932 602 HA3 GLY 86 HA1 GLY 86 71.795 -31.528 7.349 603 H TYR 87 HN TYR 87 73.489 -33.889 7.685 604 HA TYR 87 HA TYR 87 75.163 -33.527 9.990 605 HB2 TYR 87 HB2 TYR 87 75.692 -34.994 7.398 606 HB3 TYR 87 HB1 TYR 87 76.654 -35.122 8.854 607 HD1 TYR 87 HD1 TYR 87 73.357 -35.910 7.330 608 HD2 TYR 87 HD2 TYR 87 75.815 -36.360 10.846 609 HE1 TYR 87 HE1 TYR 87 71.815 -37.629 8.202 610 HE2 TYR 87 HE2 TYR 87 74.261 -38.076 11.703 611 HH TYR 87 HH TYR 87 71.947 -39.577 9.810 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 47.196 -22.707 0.264 2 H2 MET 1 HT2 MET 1 48.494 -22.427 -0.795 3 H3 MET 1 HT3 MET 1 48.708 -22.243 0.881 4 HA MET 1 HA MET 1 48.098 -24.682 1.074 5 HB2 MET 1 HB2 MET 1 48.661 -24.391 -1.895 6 HB3 MET 1 HB1 MET 1 48.743 -25.932 -1.051 7 HG2 MET 1 HG2 MET 1 46.380 -25.815 -0.480 8 HG3 MET 1 HG1 MET 1 46.271 -24.166 -1.086 9 HE1 MET 1 HE1 MET 1 45.434 -27.757 -1.945 10 HE2 MET 1 HE2 MET 1 47.194 -27.822 -1.956 11 HE3 MET 1 HE3 MET 1 46.301 -28.083 -3.447 12 H GLY 2 HN GLY 2 50.501 -23.306 -1.187 13 HA2 GLY 2 HA2 GLY 2 52.688 -24.802 -0.224 14 HA3 GLY 2 HA1 GLY 2 52.801 -23.309 -1.149 15 H ALA 3 HN ALA 3 51.433 -21.618 0.650 16 HA ALA 3 HA ALA 3 51.922 -20.135 2.326 17 HB1 ALA 3 HB1 ALA 3 52.212 -21.121 4.553 18 HB2 ALA 3 HB2 ALA 3 52.497 -22.701 3.834 19 HB3 ALA 3 HB3 ALA 3 50.930 -21.921 3.652 20 HA PRO 4 HA PRO 4 56.604 -20.491 1.572 21 HB2 PRO 4 HB2 PRO 4 56.330 -17.614 0.963 22 HB3 PRO 4 HB1 PRO 4 57.164 -18.883 0.050 23 HG2 PRO 4 HG2 PRO 4 54.849 -17.762 -0.751 24 HG3 PRO 4 HG1 PRO 4 55.312 -19.426 -1.140 25 HD2 PRO 4 HD2 PRO 4 53.287 -18.445 0.808 26 HD3 PRO 4 HD1 PRO 4 53.352 -19.963 -0.109 27 H VAL 5 HN VAL 5 58.141 -19.885 3.058 28 HA VAL 5 HA VAL 5 57.538 -17.863 5.131 29 HB VAL 5 HB VAL 5 58.633 -19.625 6.738 30 HG11 VAL 5 HG11 VAL 5 55.789 -19.718 5.765 31 HG12 VAL 5 HG12 VAL 5 56.430 -18.960 7.219 32 HG13 VAL 5 HG13 VAL 5 56.361 -20.714 7.097 33 HG21 VAL 5 HG21 VAL 5 57.327 -21.590 4.868 34 HG22 VAL 5 HG22 VAL 5 58.447 -21.898 6.192 35 HG23 VAL 5 HG23 VAL 5 59.039 -21.202 4.688 36 HA PRO 6 HA PRO 6 61.880 -17.566 3.171 37 HB2 PRO 6 HB2 PRO 6 61.406 -14.684 3.698 38 HB3 PRO 6 HB1 PRO 6 62.042 -15.479 2.248 39 HG2 PRO 6 HG2 PRO 6 59.578 -14.449 2.368 40 HG3 PRO 6 HG1 PRO 6 59.976 -15.870 1.390 41 HD2 PRO 6 HD2 PRO 6 58.474 -15.706 3.956 42 HD3 PRO 6 HD1 PRO 6 58.333 -16.865 2.622 43 H TYR 7 HN TYR 7 60.474 -15.715 5.847 44 HA TYR 7 HA TYR 7 62.509 -16.564 7.710 45 HB2 TYR 7 HB2 TYR 7 63.771 -14.815 6.619 46 HB3 TYR 7 HB1 TYR 7 62.436 -13.694 6.772 47 HD1 TYR 7 HD1 TYR 7 64.747 -15.851 8.787 48 HD2 TYR 7 HD2 TYR 7 62.325 -12.282 8.779 49 HE1 TYR 7 HE1 TYR 7 65.632 -15.230 11.005 50 HE2 TYR 7 HE2 TYR 7 63.222 -11.676 10.983 51 HH TYR 7 HH TYR 7 64.533 -13.600 13.037 52 HA PRO 8 HA PRO 8 58.436 -15.199 9.606 53 HB2 PRO 8 HB2 PRO 8 57.722 -17.410 10.950 54 HB3 PRO 8 HB1 PRO 8 57.569 -17.322 9.188 55 HG2 PRO 8 HG2 PRO 8 59.636 -18.655 10.840 56 HG3 PRO 8 HG1 PRO 8 58.845 -19.209 9.354 57 HD2 PRO 8 HD2 PRO 8 61.361 -18.013 9.487 58 HD3 PRO 8 HD1 PRO 8 60.377 -18.142 8.015 59 H ASP 9 HN ASP 9 57.735 -15.499 12.098 60 HA ASP 9 HA ASP 9 59.997 -15.400 13.971 61 HB2 ASP 9 HB2 ASP 9 58.212 -13.034 13.378 62 HB3 ASP 9 HB1 ASP 9 59.196 -13.171 14.836 63 HA PRO 10 HA PRO 10 55.911 -17.298 15.555 64 HB2 PRO 10 HB2 PRO 10 57.840 -19.020 17.008 65 HB3 PRO 10 HB1 PRO 10 56.389 -19.474 16.098 66 HG2 PRO 10 HG2 PRO 10 58.871 -19.915 15.196 67 HG3 PRO 10 HG1 PRO 10 57.504 -19.586 14.121 68 HD2 PRO 10 HD2 PRO 10 59.784 -17.835 14.871 69 HD3 PRO 10 HD1 PRO 10 58.814 -17.867 13.381 70 H LEU 11 HN LEU 11 58.933 -16.376 17.026 71 HA LEU 11 HA LEU 11 58.153 -16.266 19.731 72 HB2 LEU 11 HB2 LEU 11 60.198 -14.658 18.184 73 HB3 LEU 11 HB1 LEU 11 60.037 -14.561 19.927 74 HG LEU 11 HG LEU 11 60.592 -17.150 18.396 75 HD11 LEU 11 HD11 LEU 11 62.511 -15.856 17.976 76 HD12 LEU 11 HD12 LEU 11 62.949 -16.857 19.357 77 HD13 LEU 11 HD13 LEU 11 62.521 -15.167 19.600 78 HD21 LEU 11 HD21 LEU 11 60.358 -16.544 21.328 79 HD22 LEU 11 HD22 LEU 11 61.668 -17.606 20.833 80 HD23 LEU 11 HD23 LEU 11 60.005 -18.021 20.438 81 H GLU 12 HN GLU 12 57.896 -13.934 17.130 82 HA GLU 12 HA GLU 12 56.886 -11.895 16.904 83 HB2 GLU 12 HB2 GLU 12 54.964 -13.121 18.902 84 HB3 GLU 12 HB1 GLU 12 54.657 -11.679 17.958 85 HG2 GLU 12 HG2 GLU 12 54.856 -13.016 15.869 86 HG3 GLU 12 HG1 GLU 12 55.147 -14.453 16.843 87 HA PRO 13 HA PRO 13 58.876 -10.327 20.920 88 HB2 PRO 13 HB2 PRO 13 60.062 -8.347 19.069 89 HB3 PRO 13 HB1 PRO 13 60.838 -9.312 20.336 90 HG2 PRO 13 HG2 PRO 13 61.176 -9.793 17.712 91 HG3 PRO 13 HG1 PRO 13 61.230 -11.064 18.944 92 HD2 PRO 13 HD2 PRO 13 59.094 -10.455 16.962 93 HD3 PRO 13 HD1 PRO 13 59.562 -12.001 17.700 94 H ARG 14 HN ARG 14 58.098 -8.609 22.092 95 HA ARG 14 HA ARG 14 55.776 -7.264 21.185 96 HB2 ARG 14 HB2 ARG 14 57.598 -6.775 23.554 97 HB3 ARG 14 HB1 ARG 14 56.099 -5.891 23.293 98 HG2 ARG 14 HG2 ARG 14 54.788 -7.970 23.425 99 HG3 ARG 14 HG1 ARG 14 56.263 -8.926 23.535 100 HD2 ARG 14 HD2 ARG 14 56.786 -7.884 25.709 101 HD3 ARG 14 HD1 ARG 14 55.349 -6.871 25.581 102 HE ARG 14 HE ARG 14 54.568 -9.565 25.332 103 HH11 ARG 14 HH21 ARG 14 55.917 -7.349 27.616 104 HH12 ARG 14 HH22 ARG 14 55.263 -8.161 29.000 105 HH21 ARG 14 HH11 ARG 14 53.723 -10.646 27.137 106 HH22 ARG 14 HH12 ARG 14 54.020 -10.026 28.728 107 H GLY 15 HN GLY 15 59.163 -6.285 21.476 108 HA2 GLY 15 HA2 GLY 15 59.033 -4.411 19.382 109 HA3 GLY 15 HA1 GLY 15 58.841 -3.549 20.904 110 H GLY 16 HN GLY 16 60.936 -2.676 19.775 111 HA2 GLY 16 HA2 GLY 16 63.156 -3.546 21.360 112 HA3 GLY 16 HA1 GLY 16 63.348 -4.003 19.671 113 H LYS 17 HN LYS 17 65.133 -2.276 20.884 114 HA LYS 17 HA LYS 17 64.476 0.457 20.500 115 HB2 LYS 17 HB2 LYS 17 67.132 -0.999 20.501 116 HB3 LYS 17 HB1 LYS 17 66.970 0.756 20.533 117 HG2 LYS 17 HG2 LYS 17 65.773 0.640 22.681 118 HG3 LYS 17 HG1 LYS 17 65.823 -1.118 22.641 119 HD2 LYS 17 HD2 LYS 17 68.301 -1.044 22.748 120 HD3 LYS 17 HD1 LYS 17 68.246 0.714 22.803 121 HE2 LYS 17 HE2 LYS 17 66.988 0.591 24.941 122 HE3 LYS 17 HE1 LYS 17 67.050 -1.172 24.866 123 HZ1 LYS 17 HZ1 LYS 17 69.633 -0.083 24.506 124 HZ2 LYS 17 HZ2 LYS 17 69.076 -1.147 25.708 125 HZ3 LYS 17 HZ3 LYS 17 68.946 0.532 25.931 126 H HIS 18 HN HIS 18 66.285 -1.892 18.557 127 HA HIS 18 HA HIS 18 66.898 -0.407 16.369 128 HB2 HIS 18 HB2 HIS 18 66.962 -3.100 16.945 129 HB3 HIS 18 HB1 HIS 18 65.860 -3.037 15.580 130 HD2 HIS 18 HD2 HIS 18 67.614 -0.634 13.915 131 HE1 HIS 18 HE1 HIS 18 70.666 -3.535 14.024 132 H ILE 19 HN ILE 19 63.705 -1.411 17.180 133 HA ILE 19 HA ILE 19 62.658 -0.513 14.563 134 HB ILE 19 HB ILE 19 61.411 -2.261 16.697 135 HG12 ILE 19 HG12 ILE 19 61.707 -3.021 13.800 136 HG13 ILE 19 HG11 ILE 19 63.131 -3.115 14.820 137 HG21 ILE 19 HG21 ILE 19 60.150 -0.848 14.329 138 HG22 ILE 19 HG22 ILE 19 59.484 -1.168 15.935 139 HG23 ILE 19 HG23 ILE 19 59.593 -2.462 14.757 140 HD11 ILE 19 HD11 ILE 19 60.513 -4.437 15.584 141 HD12 ILE 19 HD12 ILE 19 62.115 -4.730 16.264 142 HD13 ILE 19 HD13 ILE 19 61.744 -5.251 14.624 143 H CYS 20 HN CYS 20 62.123 1.561 14.589 144 HA CYS 20 HA CYS 20 61.469 2.979 17.018 145 HB2 CYS 20 HB2 CYS 20 62.554 4.167 15.208 146 HB3 CYS 20 HB1 CYS 20 61.283 3.731 14.101 147 H ALA 21 HN ALA 21 59.358 3.854 17.547 148 HA ALA 21 HA ALA 21 57.189 2.030 16.990 149 HB1 ALA 21 HB1 ALA 21 57.460 3.033 19.201 150 HB2 ALA 21 HB2 ALA 21 55.911 3.496 18.496 151 HB3 ALA 21 HB3 ALA 21 57.253 4.641 18.506 152 H ILE 22 HN ILE 22 58.381 4.840 15.557 153 HA ILE 22 HA ILE 22 55.869 5.465 14.126 154 HB ILE 22 HB ILE 22 58.235 7.207 14.872 155 HG12 ILE 22 HG12 ILE 22 55.364 7.887 15.447 156 HG13 ILE 22 HG11 ILE 22 56.122 6.667 16.451 157 HG21 ILE 22 HG21 ILE 22 56.616 9.041 13.817 158 HG22 ILE 22 HG22 ILE 22 56.043 7.698 12.850 159 HG23 ILE 22 HG23 ILE 22 57.738 8.172 12.790 160 HD11 ILE 22 HD11 ILE 22 57.790 8.200 17.232 161 HD12 ILE 22 HD12 ILE 22 56.256 9.059 17.316 162 HD13 ILE 22 HD13 ILE 22 57.373 9.390 15.995 163 H CYS 23 HN CYS 23 59.236 6.291 13.392 164 HA CYS 23 HA CYS 23 58.991 5.954 10.642 165 HB2 CYS 23 HB2 CYS 23 61.634 5.658 11.961 166 HB3 CYS 23 HB1 CYS 23 61.199 6.592 10.534 167 H GLY 24 HN GLY 24 59.230 3.585 12.998 168 HA2 GLY 24 HA2 GLY 24 59.240 1.293 12.753 169 HA3 GLY 24 HA1 GLY 24 59.460 1.500 11.037 170 H ASN 25 HN ASN 25 61.968 3.297 11.824 171 HA ASN 25 HA ASN 25 63.793 1.376 12.966 172 HB2 ASN 25 HB2 ASN 25 63.276 1.242 10.098 173 HB3 ASN 25 HB1 ASN 25 64.975 1.459 10.425 174 HD21 ASN 25 HD21 ASN 25 62.501 -0.861 10.288 175 HD22 ASN 25 HD22 ASN 25 63.312 -2.121 11.085 176 H ASN 26 HN ASN 26 63.258 4.459 12.920 177 HA ASN 26 HA ASN 26 66.029 5.398 12.282 178 HB2 ASN 26 HB2 ASN 26 63.564 6.979 12.938 179 HB3 ASN 26 HB1 ASN 26 65.155 7.678 12.733 180 HD21 ASN 26 HD21 ASN 26 63.449 5.086 10.871 181 HD22 ASN 26 HD22 ASN 26 63.674 5.842 9.370 182 H ALA 27 HN ALA 27 64.632 3.976 14.794 183 HA ALA 27 HA ALA 27 65.511 5.626 16.985 184 HB1 ALA 27 HB1 ALA 27 63.680 4.306 17.538 185 HB2 ALA 27 HB2 ALA 27 64.989 3.397 18.263 186 HB3 ALA 27 HB3 ALA 27 64.309 2.891 16.708 187 H GLU 28 HN GLU 28 67.678 5.758 15.777 188 HA GLU 28 HA GLU 28 69.640 4.485 17.304 189 HB2 GLU 28 HB2 GLU 28 70.815 3.298 15.340 190 HB3 GLU 28 HB1 GLU 28 69.507 2.466 16.137 191 HG2 GLU 28 HG2 GLU 28 68.001 2.889 14.332 192 HG3 GLU 28 HG1 GLU 28 69.074 4.086 13.619 193 H ASP 29 HN ASP 29 68.606 6.519 14.770 194 HA ASP 29 HA ASP 29 71.215 7.930 14.683 195 HB2 ASP 29 HB2 ASP 29 69.411 7.590 12.284 196 HB3 ASP 29 HB1 ASP 29 71.064 8.208 12.323 197 H TYR 30 HN TYR 30 69.888 9.769 12.662 198 HA TYR 30 HA TYR 30 69.078 11.777 14.471 199 HB2 TYR 30 HB2 TYR 30 68.636 11.563 11.482 200 HB3 TYR 30 HB1 TYR 30 68.430 13.020 12.429 201 HD1 TYR 30 HD2 TYR 30 70.918 10.569 11.152 202 HD2 TYR 30 HD1 TYR 30 70.395 14.268 13.306 203 HE1 TYR 30 HE2 TYR 30 73.336 11.029 10.972 204 HE2 TYR 30 HE1 TYR 30 72.806 14.717 13.110 205 HH TYR 30 HH TYR 30 74.752 14.017 12.311 206 H LYS 31 HN LYS 31 67.131 12.446 15.141 207 HA LYS 31 HA LYS 31 64.793 10.747 14.620 208 HB2 LYS 31 HB2 LYS 31 65.333 12.848 16.746 209 HB3 LYS 31 HB1 LYS 31 63.854 11.903 16.634 210 HG2 LYS 31 HG2 LYS 31 65.143 9.809 16.972 211 HG3 LYS 31 HG1 LYS 31 66.634 10.739 17.073 212 HD2 LYS 31 HD2 LYS 31 65.772 11.905 19.099 213 HD3 LYS 31 HD1 LYS 31 64.274 10.985 18.995 214 HE2 LYS 31 HE2 LYS 31 65.539 8.882 19.342 215 HE3 LYS 31 HE1 LYS 31 67.041 9.801 19.438 216 HZ1 LYS 31 HZ1 LYS 31 64.993 10.806 21.170 217 HZ2 LYS 31 HZ2 LYS 31 66.609 10.409 21.513 218 HZ3 LYS 31 HZ3 LYS 31 65.415 9.201 21.518 219 H HIS 32 HN HIS 32 65.476 12.326 12.486 220 HA HIS 32 HA HIS 32 63.921 14.784 12.517 221 HB2 HIS 32 HB2 HIS 32 65.708 13.401 10.596 222 HB3 HIS 32 HB1 HIS 32 64.480 14.479 9.935 223 HD2 HIS 32 HD2 HIS 32 64.945 17.223 10.384 224 HE1 HIS 32 HE1 HIS 32 68.519 16.754 12.584 225 HE2 HIS 32 HE2 HIS 32 66.993 18.444 11.462 226 H THR 33 HN THR 33 63.563 11.492 11.358 227 HA THR 33 HA THR 33 61.173 12.027 9.821 228 HB THR 33 HB THR 33 61.045 9.482 9.837 229 HG1 THR 33 HG1 THR 33 63.651 9.705 10.886 230 HG21 THR 33 HG21 THR 33 61.993 10.419 7.897 231 HG22 THR 33 HG22 THR 33 63.236 9.306 8.460 232 HG23 THR 33 HG23 THR 33 63.401 11.033 8.762 233 H ASP 34 HN ASP 34 61.917 11.538 13.120 234 HA ASP 34 HA ASP 34 59.558 10.179 13.954 235 HB2 ASP 34 HB2 ASP 34 61.554 11.939 15.340 236 HB3 ASP 34 HB1 ASP 34 60.100 11.428 16.179 237 H MET 35 HN MET 35 60.345 13.575 13.519 238 HA MET 35 HA MET 35 57.917 14.612 14.575 239 HB2 MET 35 HB2 MET 35 60.004 15.728 12.694 240 HB3 MET 35 HB1 MET 35 58.575 16.648 13.155 241 HG2 MET 35 HG2 MET 35 59.216 16.635 15.483 242 HG3 MET 35 HG1 MET 35 60.473 15.435 15.186 243 HE1 MET 35 HE1 MET 35 60.581 19.946 14.422 244 HE2 MET 35 HE2 MET 35 59.908 19.131 15.828 245 HE3 MET 35 HE3 MET 35 59.140 18.940 14.255 246 H ASP 36 HN ASP 36 58.956 13.718 11.311 247 HA ASP 36 HA ASP 36 56.538 14.593 10.028 248 HB2 ASP 36 HB2 ASP 36 58.733 12.734 9.090 249 HB3 ASP 36 HB1 ASP 36 57.448 13.377 8.071 250 H LEU 37 HN LEU 37 54.731 13.501 9.560 251 HA LEU 37 HA LEU 37 54.197 10.962 10.863 252 HB2 LEU 37 HB2 LEU 37 52.536 12.737 9.052 253 HB3 LEU 37 HB1 LEU 37 51.926 11.260 9.770 254 HG LEU 37 HG LEU 37 53.028 13.621 11.380 255 HD11 LEU 37 HD11 LEU 37 50.563 14.014 11.928 256 HD12 LEU 37 HD12 LEU 37 50.197 13.021 10.523 257 HD13 LEU 37 HD13 LEU 37 51.114 14.515 10.332 258 HD21 LEU 37 HD21 LEU 37 53.021 11.956 12.985 259 HD22 LEU 37 HD22 LEU 37 51.751 11.019 12.206 260 HD23 LEU 37 HD23 LEU 37 51.346 12.469 13.112 261 H THR 38 HN THR 38 53.824 8.998 9.866 262 HA THR 38 HA THR 38 55.146 8.561 7.330 263 HB THR 38 HB THR 38 54.868 6.262 7.759 264 HG1 THR 38 HG1 THR 38 53.292 5.663 9.459 265 HG21 THR 38 HG21 THR 38 55.749 5.974 9.908 266 HG22 THR 38 HG22 THR 38 54.761 7.261 10.594 267 HG23 THR 38 HG23 THR 38 56.144 7.658 9.573 268 H TYR 39 HN TYR 39 54.095 7.323 5.584 269 HA TYR 39 HA TYR 39 51.603 8.573 4.777 270 HB2 TYR 39 HB2 TYR 39 53.385 6.543 3.422 271 HB3 TYR 39 HB1 TYR 39 51.967 7.261 2.690 272 HD1 TYR 39 HD1 TYR 39 55.415 7.937 3.901 273 HD2 TYR 39 HD2 TYR 39 51.940 9.665 2.016 274 HE1 TYR 39 HE1 TYR 39 56.734 9.914 3.260 275 HE2 TYR 39 HE2 TYR 39 53.275 11.631 1.384 276 HH TYR 39 HH TYR 39 55.227 12.741 1.787 277 H THR 40 HN THR 40 49.637 7.601 4.510 278 HA THR 40 HA THR 40 49.000 5.354 6.133 279 HB THR 40 HB THR 40 46.773 5.486 4.904 280 HG1 THR 40 HG1 THR 40 46.550 7.339 3.583 281 HG21 THR 40 HG21 THR 40 46.287 7.849 5.788 282 HG22 THR 40 HG22 THR 40 47.973 7.891 6.292 283 HG23 THR 40 HG23 THR 40 46.885 6.674 6.957 284 H ASP 41 HN ASP 41 49.703 5.780 2.728 285 HA ASP 41 HA ASP 41 48.894 3.166 1.890 286 HB2 ASP 41 HB2 ASP 41 49.066 5.146 0.381 287 HB3 ASP 41 HB1 ASP 41 50.817 5.087 0.560 288 H ARG 42 HN ARG 42 50.315 1.472 1.146 289 HA ARG 42 HA ARG 42 52.341 0.799 3.015 290 HB2 ARG 42 HB2 ARG 42 51.648 -0.341 0.293 291 HB3 ARG 42 HB1 ARG 42 52.851 -1.053 1.364 292 HG2 ARG 42 HG2 ARG 42 51.156 -1.471 3.087 293 HG3 ARG 42 HG1 ARG 42 49.942 -0.614 2.148 294 HD2 ARG 42 HD2 ARG 42 50.076 -2.361 0.382 295 HD3 ARG 42 HD1 ARG 42 51.344 -3.168 1.287 296 HE ARG 42 HE ARG 42 49.742 -4.068 2.686 297 HH11 ARG 42 HH21 ARG 42 48.383 -1.414 0.931 298 HH12 ARG 42 HH22 ARG 42 46.768 -1.720 1.472 299 HH21 ARG 42 HH11 ARG 42 47.640 -4.472 3.386 300 HH22 ARG 42 HH12 ARG 42 46.346 -3.447 2.863 301 H ASP 43 HN ASP 43 54.480 1.132 3.018 302 HA ASP 43 HA ASP 43 55.636 3.014 1.188 303 HB2 ASP 43 HB2 ASP 43 56.873 1.299 3.355 304 HB3 ASP 43 HB1 ASP 43 57.728 2.562 2.470 305 H TYR 44 HN TYR 44 57.131 2.711 -0.404 306 HA TYR 44 HA TYR 44 57.134 0.165 -1.755 307 HB2 TYR 44 HB2 TYR 44 58.620 2.744 -2.285 308 HB3 TYR 44 HB1 TYR 44 58.664 1.350 -3.343 309 HD1 TYR 44 HD2 TYR 44 56.564 0.536 -4.484 310 HD2 TYR 44 HD1 TYR 44 56.602 4.191 -2.195 311 HE1 TYR 44 HE2 TYR 44 54.443 1.229 -5.538 312 HE2 TYR 44 HE1 TYR 44 54.485 4.867 -3.253 313 HH TYR 44 HH TYR 44 53.343 3.848 -5.916 314 H LYS 45 HN LYS 45 58.767 -1.315 -1.909 315 HA LYS 45 HA LYS 45 60.724 -1.401 0.178 316 HB2 LYS 45 HB2 LYS 45 60.374 -3.084 -2.321 317 HB3 LYS 45 HB1 LYS 45 61.544 -3.434 -1.054 318 HG2 LYS 45 HG2 LYS 45 59.716 -3.698 0.598 319 HG3 LYS 45 HG1 LYS 45 58.528 -3.279 -0.632 320 HD2 LYS 45 HD2 LYS 45 59.146 -5.306 -1.931 321 HD3 LYS 45 HD1 LYS 45 60.366 -5.712 -0.727 322 HE2 LYS 45 HE2 LYS 45 58.596 -5.979 0.984 323 HE3 LYS 45 HE1 LYS 45 57.371 -5.545 -0.210 324 HZ1 LYS 45 HZ1 LYS 45 57.477 -7.893 -0.087 325 HZ2 LYS 45 HZ2 LYS 45 59.168 -7.899 -0.251 326 HZ3 LYS 45 HZ3 LYS 45 58.186 -7.440 -1.560 327 H ASN 46 HN ASN 46 62.842 -0.887 0.162 328 HA ASN 46 HA ASN 46 63.819 0.876 -1.880 329 HB2 ASN 46 HB2 ASN 46 65.198 -0.394 0.496 330 HB3 ASN 46 HB1 ASN 46 65.905 0.857 -0.524 331 HD21 ASN 46 HD21 ASN 46 64.488 0.554 2.410 332 HD22 ASN 46 HD22 ASN 46 63.687 2.046 2.519 333 H CYS 47 HN CYS 47 65.000 0.436 -3.623 334 HA CYS 47 HA CYS 47 65.473 -2.236 -4.463 335 HB2 CYS 47 HB2 CYS 47 66.509 0.406 -5.512 336 HB3 CYS 47 HB1 CYS 47 66.752 -1.144 -6.320 337 HG CYS 47 HG CYS 47 64.093 -1.334 -6.485 338 H GLU 48 HN GLU 48 67.539 0.271 -3.058 339 HA GLU 48 HA GLU 48 69.988 -1.121 -3.381 340 HB2 GLU 48 HB2 GLU 48 69.684 1.365 -2.872 341 HB3 GLU 48 HB1 GLU 48 69.304 0.896 -1.221 342 HG2 GLU 48 HG2 GLU 48 71.568 -0.077 -0.952 343 HG3 GLU 48 HG1 GLU 48 71.946 0.290 -2.632 344 H SER 49 HN SER 49 71.043 -2.556 -2.063 345 HA SER 49 HA SER 49 70.204 -3.159 0.613 346 HB2 SER 49 HB2 SER 49 69.618 -5.545 0.113 347 HB3 SER 49 HB1 SER 49 68.439 -4.391 -0.501 348 HG SER 49 HG SER 49 68.813 -5.282 -2.362 349 H TYR 50 HN TYR 50 71.541 -4.835 1.571 350 HA TYR 50 HA TYR 50 74.003 -5.569 0.117 351 HB2 TYR 50 HB2 TYR 50 73.759 -3.837 2.534 352 HB3 TYR 50 HB1 TYR 50 75.111 -4.942 2.437 353 HD1 TYR 50 HD2 TYR 50 76.749 -4.795 0.511 354 HD2 TYR 50 HD1 TYR 50 73.658 -1.840 1.074 355 HE1 TYR 50 HE2 TYR 50 77.942 -3.242 -0.993 356 HE2 TYR 50 HE1 TYR 50 74.858 -0.308 -0.431 357 HH TYR 50 HH TYR 50 77.714 -1.334 -2.224 358 H HIS 51 HN HIS 51 74.938 -7.445 0.798 359 HA HIS 51 HA HIS 51 73.249 -9.315 2.163 360 HB2 HIS 51 HB2 HIS 51 76.103 -9.481 1.182 361 HB3 HIS 51 HB1 HIS 51 75.236 -10.837 1.900 362 HD2 HIS 51 HD2 HIS 51 75.548 -9.075 -1.511 363 HE1 HIS 51 HE1 HIS 51 72.277 -11.727 -1.811 364 HE2 HIS 51 HE2 HIS 51 73.839 -10.213 -3.122 365 H LYS 52 HN LYS 52 75.315 -6.938 3.276 366 HA LYS 52 HA LYS 52 76.705 -8.130 5.386 367 HB2 LYS 52 HB2 LYS 52 75.568 -5.331 5.117 368 HB3 LYS 52 HB1 LYS 52 76.663 -5.820 6.402 369 HG2 LYS 52 HG2 LYS 52 78.410 -6.382 4.751 370 HG3 LYS 52 HG1 LYS 52 77.313 -5.982 3.434 371 HD2 LYS 52 HD2 LYS 52 77.246 -3.617 4.206 372 HD3 LYS 52 HD1 LYS 52 78.315 -4.019 5.545 373 HE2 LYS 52 HE2 LYS 52 80.098 -4.636 3.938 374 HE3 LYS 52 HE1 LYS 52 79.022 -4.252 2.594 375 HZ1 LYS 52 HZ1 LYS 52 80.462 -2.408 3.059 376 HZ2 LYS 52 HZ2 LYS 52 79.971 -2.374 4.684 377 HZ3 LYS 52 HZ3 LYS 52 78.867 -1.984 3.453 378 H CYS 53 HN CYS 53 73.815 -6.092 5.908 379 HA CYS 53 HA CYS 53 73.146 -7.653 8.321 380 HB2 CYS 53 HB2 CYS 53 73.419 -5.155 8.366 381 HB3 CYS 53 HB1 CYS 53 71.959 -5.017 7.411 382 HG CYS 53 HG CYS 53 72.112 -6.011 10.360 383 H SER 54 HN SER 54 70.362 -6.171 7.539 384 HA SER 54 HA SER 54 69.225 -8.353 5.899 385 HB2 SER 54 HB2 SER 54 67.243 -8.280 7.328 386 HB3 SER 54 HB1 SER 54 68.663 -8.626 8.303 387 HG SER 54 HG SER 54 66.949 -6.577 8.485 388 H ASP 55 HN ASP 55 66.786 -6.368 6.764 389 HA ASP 55 HA ASP 55 67.270 -4.202 4.836 390 HB2 ASP 55 HB2 ASP 55 64.983 -6.169 4.631 391 HB3 ASP 55 HB1 ASP 55 65.118 -4.677 3.707 392 H LEU 56 HN LEU 56 65.911 -5.340 7.721 393 HA LEU 56 HA LEU 56 63.682 -3.607 7.941 394 HB2 LEU 56 HB2 LEU 56 65.434 -4.627 10.203 395 HB3 LEU 56 HB1 LEU 56 63.782 -4.058 10.347 396 HG LEU 56 HG LEU 56 64.706 -6.582 8.869 397 HD11 LEU 56 HD11 LEU 56 63.463 -7.802 10.617 398 HD12 LEU 56 HD12 LEU 56 63.155 -6.288 11.457 399 HD13 LEU 56 HD13 LEU 56 64.807 -6.882 11.285 400 HD21 LEU 56 HD21 LEU 56 61.976 -5.300 9.073 401 HD22 LEU 56 HD22 LEU 56 62.125 -7.049 8.981 402 HD23 LEU 56 HD23 LEU 56 62.760 -6.046 7.683 403 H CYS 57 HN CYS 57 67.000 -3.314 9.214 404 HA CYS 57 HA CYS 57 66.638 -0.443 9.720 405 HB2 CYS 57 HB2 CYS 57 67.575 -1.683 11.493 406 HB3 CYS 57 HB1 CYS 57 68.747 -2.463 10.463 407 H GLN 58 HN GLN 58 66.973 0.773 7.963 408 HA GLN 58 HA GLN 58 68.505 -0.064 5.719 409 HB2 GLN 58 HB2 GLN 58 68.282 2.485 5.140 410 HB3 GLN 58 HB1 GLN 58 66.867 1.441 5.100 411 HG2 GLN 58 HG2 GLN 58 66.026 2.299 7.133 412 HG3 GLN 58 HG1 GLN 58 67.592 2.955 7.616 413 HE21 GLN 58 HE21 GLN 58 66.844 5.152 7.814 414 HE22 GLN 58 HE22 GLN 58 66.356 6.063 6.468 415 H TYR 59 HN TYR 59 69.286 1.881 8.528 416 HA TYR 59 HA TYR 59 71.691 2.995 7.473 417 HB2 TYR 59 HB2 TYR 59 70.100 3.252 9.822 418 HB3 TYR 59 HB1 TYR 59 71.779 3.032 10.282 419 HD1 TYR 59 HD2 TYR 59 69.446 5.115 8.257 420 HD2 TYR 59 HD1 TYR 59 73.478 4.750 9.736 421 HE1 TYR 59 HE2 TYR 59 69.922 7.440 7.566 422 HE2 TYR 59 HE1 TYR 59 73.937 7.068 9.039 423 HH TYR 59 HH TYR 59 71.473 9.244 8.110 424 H CYS 60 HN CYS 60 70.940 0.011 9.129 425 HA CYS 60 HA CYS 60 73.448 -0.586 10.194 426 HB2 CYS 60 HB2 CYS 60 71.046 -2.085 9.419 427 HB3 CYS 60 HB1 CYS 60 72.523 -3.004 9.498 428 H ARG 61 HN ARG 61 72.210 -0.717 6.917 429 HA ARG 61 HA ARG 61 74.005 -2.532 5.756 430 HB2 ARG 61 HB2 ARG 61 72.764 -0.034 4.581 431 HB3 ARG 61 HB1 ARG 61 73.545 -1.305 3.650 432 HG2 ARG 61 HG2 ARG 61 71.858 -2.946 4.423 433 HG3 ARG 61 HG1 ARG 61 71.101 -1.716 5.429 434 HD2 ARG 61 HD2 ARG 61 71.319 -1.580 2.411 435 HD3 ARG 61 HD1 ARG 61 69.900 -2.088 3.307 436 HE ARG 61 HE ARG 61 70.655 0.435 4.249 437 HH11 ARG 61 HH21 ARG 61 69.460 -1.088 1.394 438 HH12 ARG 61 HH22 ARG 61 68.632 0.321 0.823 439 HH21 ARG 61 HH11 ARG 61 69.582 2.290 3.517 440 HH22 ARG 61 HH12 ARG 61 68.700 2.238 2.028 441 H TYR 62 HN TYR 62 74.352 0.944 6.345 442 HA TYR 62 HA TYR 62 76.954 1.098 5.053 443 HB2 TYR 62 HB2 TYR 62 75.394 3.123 6.658 444 HB3 TYR 62 HB1 TYR 62 76.888 3.449 5.804 445 HD1 TYR 62 HD1 TYR 62 76.971 3.449 3.305 446 HD2 TYR 62 HD2 TYR 62 73.275 2.697 5.401 447 HE1 TYR 62 HE1 TYR 62 75.706 3.771 1.212 448 HE2 TYR 62 HE2 TYR 62 72.028 3.037 3.306 449 HH TYR 62 HH TYR 62 73.678 3.464 0.220 450 H GLN 63 HN GLN 63 75.696 1.617 8.329 451 HA GLN 63 HA GLN 63 78.262 0.738 9.521 452 HB2 GLN 63 HB2 GLN 63 76.700 3.230 10.282 453 HB3 GLN 63 HB1 GLN 63 78.022 2.555 11.224 454 HG2 GLN 63 HG2 GLN 63 79.568 2.933 9.312 455 HG3 GLN 63 HG1 GLN 63 78.235 3.618 8.387 456 HE21 GLN 63 HE21 GLN 63 80.799 4.460 10.389 457 HE22 GLN 63 HE22 GLN 63 80.246 5.990 10.874 458 H LYS 64 HN LYS 64 77.808 -0.949 10.685 459 HA LYS 64 HA LYS 64 75.309 -1.869 11.507 460 HB2 LYS 64 HB2 LYS 64 77.963 -2.323 12.881 461 HB3 LYS 64 HB1 LYS 64 76.531 -3.299 13.119 462 HG2 LYS 64 HG2 LYS 64 78.070 -3.009 10.502 463 HG3 LYS 64 HG1 LYS 64 78.204 -4.356 11.609 464 HD2 LYS 64 HD2 LYS 64 75.546 -4.528 11.168 465 HD3 LYS 64 HD1 LYS 64 75.975 -3.657 9.711 466 HE2 LYS 64 HE2 LYS 64 77.742 -5.430 9.269 467 HE3 LYS 64 HE1 LYS 64 77.039 -6.361 10.596 468 HZ1 LYS 64 HZ1 LYS 64 75.514 -5.405 8.248 469 HZ2 LYS 64 HZ2 LYS 64 74.969 -6.446 9.475 470 HZ3 LYS 64 HZ3 LYS 64 76.173 -6.960 8.393 471 H ASP 65 HN ASP 65 73.997 -1.532 13.130 472 HA ASP 65 HA ASP 65 74.782 0.263 15.379 473 HB2 ASP 65 HB2 ASP 65 71.939 0.055 14.682 474 HB3 ASP 65 HB1 ASP 65 72.851 1.436 15.216 475 H LEU 66 HN LEU 66 74.363 -2.871 14.802 476 HA LEU 66 HA LEU 66 72.273 -3.777 16.387 477 HB2 LEU 66 HB2 LEU 66 74.954 -5.058 15.852 478 HB3 LEU 66 HB1 LEU 66 73.627 -5.908 16.613 479 HG LEU 66 HG LEU 66 73.089 -4.581 13.953 480 HD11 LEU 66 HD11 LEU 66 73.795 -6.747 12.847 481 HD12 LEU 66 HD12 LEU 66 74.633 -7.161 14.340 482 HD13 LEU 66 HD13 LEU 66 75.131 -5.749 13.410 483 HD21 LEU 66 HD21 LEU 66 71.484 -6.312 13.679 484 HD22 LEU 66 HD22 LEU 66 71.333 -5.881 15.374 485 HD23 LEU 66 HD23 LEU 66 72.230 -7.321 14.911 486 H ALA 67 HN ALA 67 74.759 -1.943 17.678 487 HA ALA 67 HA ALA 67 75.343 -3.338 20.063 488 HB1 ALA 67 HB1 ALA 67 75.464 -0.566 20.587 489 HB2 ALA 67 HB2 ALA 67 75.945 -0.781 18.904 490 HB3 ALA 67 HB3 ALA 67 76.798 -1.646 20.182 491 H ILE 68 HN ILE 68 72.847 -0.929 19.252 492 HA ILE 68 HA ILE 68 71.860 -0.569 21.833 493 HB ILE 68 HB ILE 68 69.607 -0.078 20.568 494 HG12 ILE 68 HG12 ILE 68 71.355 0.435 18.217 495 HG13 ILE 68 HG11 ILE 68 70.857 -1.232 18.423 496 HG21 ILE 68 HG21 ILE 68 72.175 1.501 20.332 497 HG22 ILE 68 HG22 ILE 68 70.811 1.773 21.424 498 HG23 ILE 68 HG23 ILE 68 70.647 2.111 19.701 499 HD11 ILE 68 HD11 ILE 68 68.539 -0.625 18.346 500 HD12 ILE 68 HD12 ILE 68 69.364 0.061 16.963 501 HD13 ILE 68 HD13 ILE 68 68.943 1.095 18.328 502 H HIS 69 HN HIS 69 70.431 -2.786 19.377 503 HA HIS 69 HA HIS 69 68.524 -3.948 21.035 504 HB2 HIS 69 HB2 HIS 69 68.636 -4.281 18.588 505 HB3 HIS 69 HB1 HIS 69 70.068 -5.286 18.802 506 HD2 HIS 69 HD2 HIS 69 66.190 -5.530 19.267 507 HE1 HIS 69 HE1 HIS 69 67.850 -9.262 20.329 508 HE2 HIS 69 HE2 HIS 69 65.683 -8.008 19.902 509 H HIS 70 HN HIS 70 71.923 -4.873 20.535 510 HA HIS 70 HA HIS 70 71.802 -7.185 22.233 511 HB2 HIS 70 HB2 HIS 70 74.053 -5.577 21.042 512 HB3 HIS 70 HB1 HIS 70 74.357 -6.892 22.175 513 HD2 HIS 70 HD2 HIS 70 74.275 -9.416 21.027 514 HE1 HIS 70 HE1 HIS 70 72.547 -8.313 17.339 515 HE2 HIS 70 HE2 HIS 70 73.566 -10.231 18.654 516 H GLN 71 HN GLN 71 72.358 -7.406 24.360 517 HA GLN 71 HA GLN 71 72.049 -5.149 26.067 518 HB2 GLN 71 HB2 GLN 71 72.904 -8.006 26.554 519 HB3 GLN 71 HB1 GLN 71 72.803 -6.825 27.856 520 HG2 GLN 71 HG2 GLN 71 70.443 -7.237 26.026 521 HG3 GLN 71 HG1 GLN 71 70.738 -8.366 27.340 522 HE21 GLN 71 HE21 GLN 71 69.152 -5.486 26.594 523 HE22 GLN 71 HE22 GLN 71 68.971 -4.880 28.168 524 H HIS 72 HN HIS 72 73.523 -3.965 27.191 525 HA HIS 72 HA HIS 72 76.134 -3.689 26.123 526 HB2 HIS 72 HB2 HIS 72 74.835 -2.614 28.629 527 HB3 HIS 72 HB1 HIS 72 76.478 -2.197 28.145 528 HD2 HIS 72 HD2 HIS 72 76.658 -0.496 25.871 529 HE1 HIS 72 HE1 HIS 72 72.506 0.103 25.444 530 HE2 HIS 72 HE2 HIS 72 74.792 0.858 24.645 531 H HIS 73 HN HIS 73 74.854 -5.344 28.964 532 HA HIS 73 HA HIS 73 77.272 -5.887 30.284 533 HB2 HIS 73 HB2 HIS 73 74.654 -7.392 30.198 534 HB3 HIS 73 HB1 HIS 73 75.992 -7.842 31.256 535 HD2 HIS 73 HD2 HIS 73 76.377 -6.132 33.470 536 HE1 HIS 73 HE1 HIS 73 73.165 -3.528 32.619 537 HE2 HIS 73 HE2 HIS 73 74.913 -4.156 34.349 538 H HIS 74 HN HIS 74 75.506 -7.805 27.851 539 HA HIS 74 HA HIS 74 77.361 -9.960 27.815 540 HB2 HIS 74 HB2 HIS 74 75.276 -9.016 25.848 541 HB3 HIS 74 HB1 HIS 74 76.270 -10.445 25.566 542 HD2 HIS 74 HD2 HIS 74 75.425 -12.722 26.933 543 HE1 HIS 74 HE1 HIS 74 72.528 -10.851 29.363 544 HE2 HIS 74 HE2 HIS 74 73.506 -13.085 28.669 545 H GLY 75 HN GLY 75 77.025 -7.011 25.882 546 HA2 GLY 75 HA2 GLY 75 78.579 -5.858 24.629 547 HA3 GLY 75 HA1 GLY 75 79.819 -6.923 25.283 548 H GLY 76 HN GLY 76 80.546 -6.599 22.950 549 HA2 GLY 76 HA2 GLY 76 79.174 -7.803 20.792 550 HA3 GLY 76 HA1 GLY 76 80.901 -7.462 20.847 551 H SER 77 HN SER 77 81.485 -9.053 23.148 552 HA SER 77 HA SER 77 80.649 -11.779 22.669 553 HB2 SER 77 HB2 SER 77 82.974 -12.571 22.155 554 HB3 SER 77 HB1 SER 77 82.243 -11.623 20.863 555 HG SER 77 HG SER 77 83.883 -10.503 22.885 556 H MET 78 HN MET 78 81.710 -13.292 24.159 557 HA MET 78 HA MET 78 81.825 -12.243 26.788 558 HB2 MET 78 HB2 MET 78 82.571 -14.920 25.595 559 HB3 MET 78 HB1 MET 78 82.758 -14.580 27.312 560 HG2 MET 78 HG2 MET 78 80.394 -14.229 27.593 561 HG3 MET 78 HG1 MET 78 80.134 -14.178 25.851 562 HE1 MET 78 HE1 MET 78 81.466 -16.287 28.804 563 HE2 MET 78 HE2 MET 78 80.639 -17.821 28.570 564 HE3 MET 78 HE3 MET 78 79.702 -16.371 28.911 565 H GLY 79 HN GLY 79 84.312 -13.215 24.477 566 HA2 GLY 79 HA2 GLY 79 86.526 -12.568 24.319 567 HA3 GLY 79 HA1 GLY 79 86.284 -11.511 25.705 568 H MET 80 HN MET 80 88.590 -12.573 25.898 569 HA MET 80 HA MET 80 88.818 -15.233 26.837 570 HB2 MET 80 HB2 MET 80 90.555 -12.778 27.140 571 HB3 MET 80 HB1 MET 80 90.994 -14.316 27.871 572 HG2 MET 80 HG2 MET 80 90.295 -14.182 24.942 573 HG3 MET 80 HG1 MET 80 91.906 -13.732 25.484 574 HE1 MET 80 HE1 MET 80 93.791 -15.536 25.406 575 HE2 MET 80 HE2 MET 80 93.626 -16.867 26.546 576 HE3 MET 80 HE3 MET 80 93.331 -15.220 27.086 577 H SER 81 HN SER 81 88.331 -12.147 28.491 578 HA SER 81 HA SER 81 87.134 -13.457 30.776 579 HB2 SER 81 HB2 SER 81 88.742 -12.436 32.404 580 HB3 SER 81 HB1 SER 81 89.443 -13.726 31.431 581 HG SER 81 HG SER 81 89.724 -10.922 31.137 582 H GLY 82 HN GLY 82 86.330 -11.880 32.361 583 HA2 GLY 82 HA2 GLY 82 85.095 -9.663 31.054 584 HA3 GLY 82 HA1 GLY 82 85.004 -10.039 32.772 585 H SER 83 HN SER 83 85.269 -7.425 31.673 586 HA SER 83 HA SER 83 87.985 -6.515 31.847 587 HB2 SER 83 HB2 SER 83 87.046 -4.300 31.664 588 HB3 SER 83 HB1 SER 83 86.183 -5.360 30.552 589 HG SER 83 HG SER 83 85.362 -4.586 33.163 590 H GLY 84 HN GLY 84 88.722 -4.926 33.459 591 HA2 GLY 84 HA2 GLY 84 88.401 -5.912 36.111 592 HA3 GLY 84 HA1 GLY 84 89.290 -4.467 35.646 593 H THR 85 HN THR 85 87.614 -4.761 37.954 594 HA THR 85 HA THR 85 85.086 -3.457 37.505 595 HB THR 85 HB THR 85 85.171 -3.236 40.054 596 HG1 THR 85 HG1 THR 85 86.998 -3.674 40.938 597 HG21 THR 85 HG21 THR 85 85.057 -5.813 40.319 598 HG22 THR 85 HG22 THR 85 85.308 -5.861 38.575 599 HG23 THR 85 HG23 THR 85 83.897 -5.040 39.241 600 H GLY 86 HN GLY 86 84.536 -1.382 38.600 601 HA2 GLY 86 HA2 GLY 86 86.190 0.721 37.689 602 HA3 GLY 86 HA1 GLY 86 84.808 0.896 38.766 603 H TYR 87 HN TYR 87 85.732 -0.733 40.888 604 HA TYR 87 HA TYR 87 87.299 1.130 42.336 605 HB2 TYR 87 HB2 TYR 87 86.691 -1.778 42.910 606 HB3 TYR 87 HB1 TYR 87 87.416 -0.666 44.054 607 HD1 TYR 87 HD1 TYR 87 86.147 1.392 44.819 608 HD2 TYR 87 HD2 TYR 87 84.256 -1.681 42.456 609 HE1 TYR 87 HE1 TYR 87 83.924 2.254 45.456 610 HE2 TYR 87 HE2 TYR 87 82.043 -0.807 43.106 611 HH TYR 87 HH TYR 87 80.962 0.940 44.049 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 34.381 -0.252 30.388 2 H2 MET 1 HT2 MET 1 34.273 0.792 29.052 3 H3 MET 1 HT3 MET 1 35.762 0.087 29.466 4 HA MET 1 HA MET 1 34.645 -2.139 29.074 5 HB2 MET 1 HB2 MET 1 32.686 -0.190 27.830 6 HB3 MET 1 HB1 MET 1 32.796 -1.868 27.314 7 HG2 MET 1 HG2 MET 1 32.458 -1.219 30.236 8 HG3 MET 1 HG1 MET 1 31.060 -1.207 29.170 9 HE1 MET 1 HE1 MET 1 30.377 -4.753 28.219 10 HE2 MET 1 HE2 MET 1 30.521 -3.146 27.519 11 HE3 MET 1 HE3 MET 1 29.599 -3.374 29.003 12 H GLY 2 HN GLY 2 36.578 -2.483 28.083 13 HA2 GLY 2 HA2 GLY 2 37.567 -0.911 25.907 14 HA3 GLY 2 HA1 GLY 2 38.228 -2.442 26.469 15 H ALA 3 HN ALA 3 38.241 -2.059 23.820 16 HA ALA 3 HA ALA 3 36.561 -4.187 22.825 17 HB1 ALA 3 HB1 ALA 3 34.928 -2.390 22.687 18 HB2 ALA 3 HB2 ALA 3 35.468 -2.805 21.063 19 HB3 ALA 3 HB3 ALA 3 36.088 -1.355 21.856 20 HA PRO 4 HA PRO 4 40.702 -3.338 20.656 21 HB2 PRO 4 HB2 PRO 4 41.012 -6.260 20.778 22 HB3 PRO 4 HB1 PRO 4 42.140 -4.988 21.269 23 HG2 PRO 4 HG2 PRO 4 40.794 -6.576 23.008 24 HG3 PRO 4 HG1 PRO 4 41.369 -4.947 23.390 25 HD2 PRO 4 HD2 PRO 4 38.604 -5.887 22.865 26 HD3 PRO 4 HD1 PRO 4 39.182 -4.513 23.829 27 H VAL 5 HN VAL 5 41.056 -3.591 18.487 28 HA VAL 5 HA VAL 5 38.840 -4.491 16.906 29 HB VAL 5 HB VAL 5 40.569 -3.854 14.993 30 HG11 VAL 5 HG11 VAL 5 38.656 -2.475 15.279 31 HG12 VAL 5 HG12 VAL 5 40.030 -1.386 15.443 32 HG13 VAL 5 HG13 VAL 5 39.178 -1.941 16.879 33 HG21 VAL 5 HG21 VAL 5 42.354 -2.461 15.604 34 HG22 VAL 5 HG22 VAL 5 42.435 -3.751 16.800 35 HG23 VAL 5 HG23 VAL 5 41.722 -2.194 17.223 36 HA PRO 6 HA PRO 6 40.238 -8.711 15.864 37 HB2 PRO 6 HB2 PRO 6 40.110 -8.072 12.970 38 HB3 PRO 6 HB1 PRO 6 39.312 -9.367 13.872 39 HG2 PRO 6 HG2 PRO 6 38.056 -7.152 12.947 40 HG3 PRO 6 HG1 PRO 6 37.509 -8.103 14.334 41 HD2 PRO 6 HD2 PRO 6 38.658 -5.417 14.274 42 HD3 PRO 6 HD1 PRO 6 37.758 -6.248 15.554 43 H TYR 7 HN TYR 7 41.567 -6.099 13.872 44 HA TYR 7 HA TYR 7 43.930 -7.465 13.095 45 HB2 TYR 7 HB2 TYR 7 43.064 -4.586 13.105 46 HB3 TYR 7 HB1 TYR 7 44.700 -5.015 12.651 47 HD1 TYR 7 HD1 TYR 7 45.135 -6.482 10.653 48 HD2 TYR 7 HD2 TYR 7 41.145 -5.191 11.648 49 HE1 TYR 7 HE1 TYR 7 44.351 -7.133 8.402 50 HE2 TYR 7 HE2 TYR 7 40.377 -5.846 9.402 51 HH TYR 7 HH TYR 7 40.918 -6.896 7.514 52 HA PRO 8 HA PRO 8 46.208 -6.792 16.978 53 HB2 PRO 8 HB2 PRO 8 48.826 -6.851 16.213 54 HB3 PRO 8 HB1 PRO 8 47.798 -8.294 16.194 55 HG2 PRO 8 HG2 PRO 8 48.533 -6.473 13.961 56 HG3 PRO 8 HG1 PRO 8 48.541 -8.245 14.017 57 HD2 PRO 8 HD2 PRO 8 46.504 -6.867 12.879 58 HD3 PRO 8 HD1 PRO 8 46.255 -8.411 13.719 59 H ASP 9 HN ASP 9 48.270 -5.347 17.735 60 HA ASP 9 HA ASP 9 48.283 -2.662 16.549 61 HB2 ASP 9 HB2 ASP 9 47.263 -3.259 19.326 62 HB3 ASP 9 HB1 ASP 9 47.774 -1.656 18.800 63 HA PRO 10 HA PRO 10 52.306 -3.953 18.621 64 HB2 PRO 10 HB2 PRO 10 53.961 -3.780 16.441 65 HB3 PRO 10 HB1 PRO 10 53.120 -5.258 16.932 66 HG2 PRO 10 HG2 PRO 10 52.591 -3.453 14.693 67 HG3 PRO 10 HG1 PRO 10 52.169 -5.157 14.902 68 HD2 PRO 10 HD2 PRO 10 50.447 -2.932 15.176 69 HD3 PRO 10 HD1 PRO 10 50.079 -4.620 15.579 70 H LEU 11 HN LEU 11 50.998 -1.289 17.210 71 HA LEU 11 HA LEU 11 53.229 0.514 17.100 72 HB2 LEU 11 HB2 LEU 11 50.252 0.986 17.293 73 HB3 LEU 11 HB1 LEU 11 51.423 2.271 17.071 74 HG LEU 11 HG LEU 11 51.114 -0.101 15.161 75 HD11 LEU 11 HD11 LEU 11 49.056 1.012 14.970 76 HD12 LEU 11 HD12 LEU 11 50.031 1.637 13.641 77 HD13 LEU 11 HD13 LEU 11 49.799 2.607 15.090 78 HD21 LEU 11 HD21 LEU 11 52.117 1.814 13.576 79 HD22 LEU 11 HD22 LEU 11 53.152 0.720 14.482 80 HD23 LEU 11 HD23 LEU 11 52.857 2.349 15.081 81 H GLU 12 HN GLU 12 50.731 -0.170 19.485 82 HA GLU 12 HA GLU 12 51.357 1.829 21.345 83 HB2 GLU 12 HB2 GLU 12 49.815 -0.685 21.356 84 HB3 GLU 12 HB1 GLU 12 50.473 -0.271 22.923 85 HG2 GLU 12 HG2 GLU 12 48.857 1.724 21.297 86 HG3 GLU 12 HG1 GLU 12 48.121 0.569 22.400 87 HA PRO 13 HA PRO 13 54.205 -1.198 23.823 88 HB2 PRO 13 HB2 PRO 13 55.383 -3.203 22.285 89 HB3 PRO 13 HB1 PRO 13 54.041 -3.440 23.418 90 HG2 PRO 13 HG2 PRO 13 53.997 -3.114 20.466 91 HG3 PRO 13 HG1 PRO 13 53.029 -4.176 21.502 92 HD2 PRO 13 HD2 PRO 13 52.003 -1.963 20.496 93 HD3 PRO 13 HD1 PRO 13 51.581 -2.476 22.121 94 H ARG 14 HN ARG 14 56.310 -0.574 24.076 95 HA ARG 14 HA ARG 14 57.450 1.206 22.222 96 HB2 ARG 14 HB2 ARG 14 57.882 1.015 24.750 97 HB3 ARG 14 HB1 ARG 14 58.986 -0.297 24.357 98 HG2 ARG 14 HG2 ARG 14 60.308 1.294 22.894 99 HG3 ARG 14 HG1 ARG 14 59.232 2.594 23.386 100 HD2 ARG 14 HD2 ARG 14 59.925 2.196 25.760 101 HD3 ARG 14 HD1 ARG 14 61.082 1.001 25.175 102 HE ARG 14 HE ARG 14 61.475 3.419 23.771 103 HH11 ARG 14 HH21 ARG 14 61.773 2.023 26.921 104 HH12 ARG 14 HH22 ARG 14 63.094 3.035 27.399 105 HH21 ARG 14 HH11 ARG 14 63.196 4.763 24.395 106 HH22 ARG 14 HH12 ARG 14 63.900 4.588 25.967 107 H GLY 15 HN GLY 15 58.174 -2.193 22.969 108 HA2 GLY 15 HA2 GLY 15 59.119 -3.841 21.656 109 HA3 GLY 15 HA1 GLY 15 59.068 -2.725 20.296 110 H GLY 16 HN GLY 16 61.198 -3.786 19.879 111 HA2 GLY 16 HA2 GLY 16 63.442 -3.296 21.568 112 HA3 GLY 16 HA1 GLY 16 63.505 -3.787 19.880 113 H LYS 17 HN LYS 17 65.269 -1.906 21.067 114 HA LYS 17 HA LYS 17 64.467 0.764 20.511 115 HB2 LYS 17 HB2 LYS 17 67.273 -0.359 20.469 116 HB3 LYS 17 HB1 LYS 17 66.830 1.311 20.753 117 HG2 LYS 17 HG2 LYS 17 66.357 -1.074 22.593 118 HG3 LYS 17 HG1 LYS 17 67.477 0.245 22.854 119 HD2 LYS 17 HD2 LYS 17 65.371 1.785 22.833 120 HD3 LYS 17 HD1 LYS 17 64.459 0.292 23.034 121 HE2 LYS 17 HE2 LYS 17 66.028 -0.201 25.012 122 HE3 LYS 17 HE1 LYS 17 66.485 1.500 24.912 123 HZ1 LYS 17 HZ1 LYS 17 64.641 2.033 25.971 124 HZ2 LYS 17 HZ2 LYS 17 64.215 0.394 26.095 125 HZ3 LYS 17 HZ3 LYS 17 63.696 1.310 24.763 126 H HIS 18 HN HIS 18 66.417 -1.604 18.729 127 HA HIS 18 HA HIS 18 67.003 -0.250 16.460 128 HB2 HIS 18 HB2 HIS 18 67.056 -2.926 17.163 129 HB3 HIS 18 HB1 HIS 18 65.961 -2.916 15.791 130 HD2 HIS 18 HD2 HIS 18 67.730 -0.602 14.023 131 HE1 HIS 18 HE1 HIS 18 70.785 -3.490 14.286 132 H ILE 19 HN ILE 19 63.821 -1.225 17.331 133 HA ILE 19 HA ILE 19 62.737 -0.531 14.666 134 HB ILE 19 HB ILE 19 61.539 -2.121 16.946 135 HG12 ILE 19 HG12 ILE 19 61.785 -3.096 14.112 136 HG13 ILE 19 HG11 ILE 19 63.227 -3.109 15.110 137 HG21 ILE 19 HG21 ILE 19 59.684 -2.484 15.062 138 HG22 ILE 19 HG22 ILE 19 60.214 -0.907 14.502 139 HG23 ILE 19 HG23 ILE 19 59.582 -1.102 16.140 140 HD11 ILE 19 HD11 ILE 19 62.253 -4.624 16.683 141 HD12 ILE 19 HD12 ILE 19 61.829 -5.257 15.094 142 HD13 ILE 19 HD13 ILE 19 60.629 -4.374 16.033 143 H CYS 20 HN CYS 20 62.137 1.534 14.538 144 HA CYS 20 HA CYS 20 61.461 3.105 16.863 145 HB2 CYS 20 HB2 CYS 20 62.518 4.153 14.928 146 HB3 CYS 20 HB1 CYS 20 61.196 3.666 13.909 147 H ALA 21 HN ALA 21 59.372 4.010 17.310 148 HA ALA 21 HA ALA 21 57.217 2.115 16.966 149 HB1 ALA 21 HB1 ALA 21 57.515 3.301 19.077 150 HB2 ALA 21 HB2 ALA 21 55.955 3.710 18.361 151 HB3 ALA 21 HB3 ALA 21 57.301 4.847 18.257 152 H ILE 22 HN ILE 22 58.353 4.840 15.310 153 HA ILE 22 HA ILE 22 55.815 5.279 13.852 154 HB ILE 22 HB ILE 22 58.130 7.141 14.447 155 HG12 ILE 22 HG12 ILE 22 55.237 7.764 14.980 156 HG13 ILE 22 HG11 ILE 22 56.047 6.667 16.078 157 HG21 ILE 22 HG21 ILE 22 56.459 8.839 13.249 158 HG22 ILE 22 HG22 ILE 22 55.924 7.404 12.393 159 HG23 ILE 22 HG23 ILE 22 57.606 7.922 12.292 160 HD11 ILE 22 HD11 ILE 22 56.081 9.120 16.746 161 HD12 ILE 22 HD12 ILE 22 57.162 9.398 15.383 162 HD13 ILE 22 HD13 ILE 22 57.658 8.338 16.704 163 H CYS 23 HN CYS 23 59.147 6.150 13.020 164 HA CYS 23 HA CYS 23 58.923 5.583 10.324 165 HB2 CYS 23 HB2 CYS 23 61.559 5.422 11.670 166 HB3 CYS 23 HB1 CYS 23 61.117 6.252 10.182 167 H GLY 24 HN GLY 24 59.152 3.366 12.819 168 HA2 GLY 24 HA2 GLY 24 59.219 1.072 12.730 169 HA3 GLY 24 HA1 GLY 24 59.460 1.171 11.005 170 H ASN 25 HN ASN 25 61.929 3.042 11.681 171 HA ASN 25 HA ASN 25 63.768 1.240 12.991 172 HB2 ASN 25 HB2 ASN 25 63.273 0.835 10.143 173 HB3 ASN 25 HB1 ASN 25 64.964 1.129 10.448 174 HD21 ASN 25 HD21 ASN 25 62.543 -1.258 10.539 175 HD22 ASN 25 HD22 ASN 25 63.395 -2.421 11.432 176 H ASN 26 HN ASN 26 63.171 4.294 12.593 177 HA ASN 26 HA ASN 26 65.943 5.203 11.944 178 HB2 ASN 26 HB2 ASN 26 63.474 6.849 12.387 179 HB3 ASN 26 HB1 ASN 26 65.061 7.490 12.051 180 HD21 ASN 26 HD21 ASN 26 63.315 4.685 10.553 181 HD22 ASN 26 HD22 ASN 26 63.496 5.265 8.971 182 H ALA 27 HN ALA 27 64.704 3.883 14.470 183 HA ALA 27 HA ALA 27 65.365 5.777 16.576 184 HB1 ALA 27 HB1 ALA 27 64.302 2.971 16.476 185 HB2 ALA 27 HB2 ALA 27 63.632 4.409 17.238 186 HB3 ALA 27 HB3 ALA 27 64.975 3.588 17.994 187 H GLU 28 HN GLU 28 67.553 5.932 15.354 188 HA GLU 28 HA GLU 28 69.560 4.955 17.002 189 HB2 GLU 28 HB2 GLU 28 70.791 3.520 15.239 190 HB3 GLU 28 HB1 GLU 28 69.507 2.770 16.140 191 HG2 GLU 28 HG2 GLU 28 68.021 2.802 14.289 192 HG3 GLU 28 HG1 GLU 28 68.978 4.006 13.435 193 H ASP 29 HN ASP 29 68.415 6.667 14.320 194 HA ASP 29 HA ASP 29 70.990 8.085 13.963 195 HB2 ASP 29 HB2 ASP 29 70.772 8.063 11.587 196 HB3 ASP 29 HB1 ASP 29 70.539 6.408 12.132 197 H TYR 30 HN TYR 30 69.862 9.797 11.898 198 HA TYR 30 HA TYR 30 69.002 11.955 13.424 199 HB2 TYR 30 HB2 TYR 30 68.607 11.344 10.489 200 HB3 TYR 30 HB1 TYR 30 68.302 12.910 11.210 201 HD1 TYR 30 HD1 TYR 30 70.171 14.316 12.075 202 HD2 TYR 30 HD2 TYR 30 70.950 10.480 10.270 203 HE1 TYR 30 HE1 TYR 30 72.562 14.882 11.891 204 HE2 TYR 30 HE2 TYR 30 73.345 11.059 10.096 205 HH TYR 30 HH TYR 30 74.937 12.756 11.480 206 H LYS 31 HN LYS 31 67.122 12.379 14.417 207 HA LYS 31 HA LYS 31 64.756 10.780 13.907 208 HB2 LYS 31 HB2 LYS 31 65.267 13.011 15.909 209 HB3 LYS 31 HB1 LYS 31 63.802 12.043 15.843 210 HG2 LYS 31 HG2 LYS 31 65.127 9.984 16.292 211 HG3 LYS 31 HG1 LYS 31 66.597 10.949 16.362 212 HD2 LYS 31 HD2 LYS 31 65.696 12.188 18.324 213 HD3 LYS 31 HD1 LYS 31 64.213 11.245 18.246 214 HE2 LYS 31 HE2 LYS 31 65.497 9.177 18.702 215 HE3 LYS 31 HE1 LYS 31 66.989 10.117 18.771 216 HZ1 LYS 31 HZ1 LYS 31 66.282 9.886 20.968 217 HZ2 LYS 31 HZ2 LYS 31 64.661 10.234 20.588 218 HZ3 LYS 31 HZ3 LYS 31 65.831 11.464 20.540 219 H HIS 32 HN HIS 32 65.342 12.160 11.664 220 HA HIS 32 HA HIS 32 63.751 14.602 11.508 221 HB2 HIS 32 HB2 HIS 32 65.579 13.104 9.712 222 HB3 HIS 32 HB1 HIS 32 64.324 14.088 8.959 223 HD2 HIS 32 HD2 HIS 32 64.816 16.839 9.020 224 HE1 HIS 32 HE1 HIS 32 68.212 16.716 11.529 225 HE2 HIS 32 HE2 HIS 32 66.765 18.221 10.085 226 H THR 33 HN THR 33 63.472 11.210 10.641 227 HA THR 33 HA THR 33 61.085 11.561 9.055 228 HB THR 33 HB THR 33 61.026 9.019 9.255 229 HG1 THR 33 HG1 THR 33 62.322 9.137 11.230 230 HG21 THR 33 HG21 THR 33 63.385 10.519 8.100 231 HG22 THR 33 HG22 THR 33 61.971 9.890 7.255 232 HG23 THR 33 HG23 THR 33 63.188 8.783 7.879 233 H ASP 34 HN ASP 34 61.818 11.387 12.368 234 HA ASP 34 HA ASP 34 59.488 10.054 13.334 235 HB2 ASP 34 HB2 ASP 34 61.475 11.957 14.538 236 HB3 ASP 34 HB1 ASP 34 60.035 11.492 15.441 237 H MET 35 HN MET 35 60.159 13.385 12.489 238 HA MET 35 HA MET 35 57.777 14.530 13.526 239 HB2 MET 35 HB2 MET 35 59.700 15.373 11.350 240 HB3 MET 35 HB1 MET 35 58.295 16.342 11.784 241 HG2 MET 35 HG2 MET 35 59.110 16.679 14.026 242 HG3 MET 35 HG1 MET 35 60.357 15.453 13.819 243 HE1 MET 35 HE1 MET 35 58.923 18.790 12.484 244 HE2 MET 35 HE2 MET 35 60.361 19.800 12.412 245 HE3 MET 35 HE3 MET 35 59.807 19.190 13.966 246 H ASP 36 HN ASP 36 58.622 13.198 10.356 247 HA ASP 36 HA ASP 36 55.907 12.497 9.769 248 HB2 ASP 36 HB2 ASP 36 55.852 13.944 7.649 249 HB3 ASP 36 HB1 ASP 36 55.516 14.747 9.176 250 H LEU 37 HN LEU 37 55.719 11.199 7.913 251 HA LEU 37 HA LEU 37 58.204 9.907 7.058 252 HB2 LEU 37 HB2 LEU 37 55.415 9.264 6.116 253 HB3 LEU 37 HB1 LEU 37 56.807 8.201 6.154 254 HG LEU 37 HG LEU 37 55.187 9.203 8.557 255 HD11 LEU 37 HD11 LEU 37 55.687 6.371 7.600 256 HD12 LEU 37 HD12 LEU 37 54.217 7.295 7.276 257 HD13 LEU 37 HD13 LEU 37 54.652 6.880 8.932 258 HD21 LEU 37 HD21 LEU 37 57.377 9.128 9.465 259 HD22 LEU 37 HD22 LEU 37 57.847 7.748 8.476 260 HD23 LEU 37 HD23 LEU 37 56.737 7.529 9.820 261 H THR 38 HN THR 38 57.178 12.690 6.163 262 HA THR 38 HA THR 38 56.617 12.487 3.380 263 HB THR 38 HB THR 38 57.378 14.940 3.411 264 HG1 THR 38 HG1 THR 38 58.652 14.497 5.378 265 HG21 THR 38 HG21 THR 38 55.051 14.597 3.518 266 HG22 THR 38 HG22 THR 38 55.388 15.567 4.950 267 HG23 THR 38 HG23 THR 38 55.142 13.828 5.102 268 H TYR 39 HN TYR 39 59.563 13.029 5.252 269 HA TYR 39 HA TYR 39 61.282 13.206 2.917 270 HB2 TYR 39 HB2 TYR 39 61.624 14.439 5.099 271 HB3 TYR 39 HB1 TYR 39 62.066 12.899 5.812 272 HD1 TYR 39 HD1 TYR 39 63.041 15.444 3.272 273 HD2 TYR 39 HD2 TYR 39 64.215 11.791 5.240 274 HE1 TYR 39 HE1 TYR 39 65.321 15.676 2.365 275 HE2 TYR 39 HE2 TYR 39 66.487 12.041 4.329 276 HH TYR 39 HH TYR 39 67.385 13.478 1.981 277 H THR 40 HN THR 40 62.462 11.618 2.031 278 HA THR 40 HA THR 40 62.476 8.895 3.247 279 HB THR 40 HB THR 40 62.712 8.120 0.846 280 HG1 THR 40 HG1 THR 40 63.183 9.890 -0.275 281 HG21 THR 40 HG21 THR 40 60.609 7.667 1.746 282 HG22 THR 40 HG22 THR 40 60.199 8.665 0.353 283 HG23 THR 40 HG23 THR 40 60.216 9.372 1.967 284 H ASP 41 HN ASP 41 64.397 8.000 3.581 285 HA ASP 41 HA ASP 41 66.815 9.506 2.986 286 HB2 ASP 41 HB2 ASP 41 66.360 8.373 5.195 287 HB3 ASP 41 HB1 ASP 41 66.576 6.829 4.379 288 H ARG 42 HN ARG 42 67.623 9.332 0.992 289 HA ARG 42 HA ARG 42 67.276 6.966 -0.629 290 HB2 ARG 42 HB2 ARG 42 67.409 9.410 -1.451 291 HB3 ARG 42 HB1 ARG 42 69.142 9.273 -1.190 292 HG2 ARG 42 HG2 ARG 42 69.240 7.366 -2.811 293 HG3 ARG 42 HG1 ARG 42 67.504 7.488 -3.061 294 HD2 ARG 42 HD2 ARG 42 69.475 9.709 -3.679 295 HD3 ARG 42 HD1 ARG 42 68.834 8.565 -4.851 296 HE ARG 42 HE ARG 42 66.643 9.727 -3.547 297 HH11 ARG 42 HH21 ARG 42 69.279 10.587 -5.615 298 HH12 ARG 42 HH22 ARG 42 68.432 11.888 -6.383 299 HH21 ARG 42 HH11 ARG 42 65.528 11.431 -4.548 300 HH22 ARG 42 HH12 ARG 42 66.309 12.365 -5.779 301 H ASP 43 HN ASP 43 68.688 5.346 -0.945 302 HA ASP 43 HA ASP 43 70.943 5.051 0.827 303 HB2 ASP 43 HB2 ASP 43 69.926 3.345 -1.457 304 HB3 ASP 43 HB1 ASP 43 71.240 2.887 -0.377 305 H TYR 44 HN TYR 44 73.089 5.105 0.365 306 HA TYR 44 HA TYR 44 73.955 6.655 -1.910 307 HB2 TYR 44 HB2 TYR 44 75.443 5.241 0.306 308 HB3 TYR 44 HB1 TYR 44 76.238 6.173 -0.947 309 HD1 TYR 44 HD2 TYR 44 75.951 8.650 -1.085 310 HD2 TYR 44 HD1 TYR 44 74.043 6.379 2.044 311 HE1 TYR 44 HE2 TYR 44 75.499 10.732 0.159 312 HE2 TYR 44 HE1 TYR 44 73.597 8.468 3.275 313 HH TYR 44 HH TYR 44 73.323 10.948 2.655 314 H LYS 45 HN LYS 45 73.971 5.691 -3.861 315 HA LYS 45 HA LYS 45 74.507 2.859 -4.203 316 HB2 LYS 45 HB2 LYS 45 74.123 5.104 -6.205 317 HB3 LYS 45 HB1 LYS 45 74.321 3.411 -6.641 318 HG2 LYS 45 HG2 LYS 45 72.258 2.824 -5.390 319 HG3 LYS 45 HG1 LYS 45 72.071 4.503 -4.892 320 HD2 LYS 45 HD2 LYS 45 71.782 5.181 -7.267 321 HD3 LYS 45 HD1 LYS 45 72.002 3.512 -7.777 322 HE2 LYS 45 HE2 LYS 45 69.956 2.857 -6.556 323 HE3 LYS 45 HE1 LYS 45 69.743 4.519 -6.003 324 HZ1 LYS 45 HZ1 LYS 45 68.539 3.675 -8.123 325 HZ2 LYS 45 HZ2 LYS 45 70.030 3.988 -8.875 326 HZ3 LYS 45 HZ3 LYS 45 69.195 5.239 -8.085 327 H ASN 46 HN ASN 46 76.462 5.423 -3.561 328 HA ASN 46 HA ASN 46 78.570 5.205 -5.426 329 HB2 ASN 46 HB2 ASN 46 78.417 7.086 -3.888 330 HB3 ASN 46 HB1 ASN 46 78.620 6.012 -2.507 331 HD21 ASN 46 HD21 ASN 46 80.677 6.632 -1.724 332 HD22 ASN 46 HD22 ASN 46 82.088 6.624 -2.669 333 H CYS 47 HN CYS 47 78.010 3.549 -2.330 334 HA CYS 47 HA CYS 47 79.482 1.228 -3.167 335 HB2 CYS 47 HB2 CYS 47 81.522 1.936 -2.507 336 HB3 CYS 47 HB1 CYS 47 80.854 3.316 -1.636 337 HG CYS 47 HG CYS 47 80.802 0.456 -0.367 338 H GLU 48 HN GLU 48 78.982 -0.532 -1.960 339 HA GLU 48 HA GLU 48 77.294 -0.206 0.468 340 HB2 GLU 48 HB2 GLU 48 76.950 -2.083 -1.883 341 HB3 GLU 48 HB1 GLU 48 76.142 -2.326 -0.341 342 HG2 GLU 48 HG2 GLU 48 75.868 0.277 -1.873 343 HG3 GLU 48 HG1 GLU 48 74.830 -1.101 -2.211 344 H SER 49 HN SER 49 78.244 -1.038 2.178 345 HA SER 49 HA SER 49 80.567 -2.635 2.101 346 HB2 SER 49 HB2 SER 49 78.574 -2.255 4.348 347 HB3 SER 49 HB1 SER 49 80.180 -2.955 4.518 348 HG SER 49 HG SER 49 80.949 -1.008 4.550 349 H TYR 50 HN TYR 50 77.163 -3.422 2.530 350 HA TYR 50 HA TYR 50 77.617 -6.205 1.716 351 HB2 TYR 50 HB2 TYR 50 76.245 -5.461 4.310 352 HB3 TYR 50 HB1 TYR 50 76.251 -7.060 3.588 353 HD1 TYR 50 HD1 TYR 50 78.422 -8.341 3.327 354 HD2 TYR 50 HD2 TYR 50 78.242 -4.634 5.519 355 HE1 TYR 50 HE1 TYR 50 80.598 -8.845 4.372 356 HE2 TYR 50 HE2 TYR 50 80.422 -5.150 6.552 357 HH TYR 50 HH TYR 50 81.977 -8.272 6.118 358 H HIS 51 HN HIS 51 75.672 -7.262 1.072 359 HA HIS 51 HA HIS 51 73.717 -5.425 -0.094 360 HB2 HIS 51 HB2 HIS 51 74.095 -8.426 -0.326 361 HB3 HIS 51 HB1 HIS 51 72.863 -7.495 -1.185 362 HD2 HIS 51 HD2 HIS 51 76.632 -8.316 -1.442 363 HE1 HIS 51 HE1 HIS 51 75.757 -5.484 -4.447 364 HE2 HIS 51 HE2 HIS 51 77.519 -7.087 -3.567 365 H LYS 52 HN LYS 52 72.804 -4.803 2.026 366 HA LYS 52 HA LYS 52 71.300 -4.901 3.738 367 HB2 LYS 52 HB2 LYS 52 69.898 -6.730 1.786 368 HB3 LYS 52 HB1 LYS 52 69.153 -5.917 3.151 369 HG2 LYS 52 HG2 LYS 52 69.668 -3.714 2.153 370 HG3 LYS 52 HG1 LYS 52 70.466 -4.497 0.796 371 HD2 LYS 52 HD2 LYS 52 68.296 -5.586 0.168 372 HD3 LYS 52 HD1 LYS 52 67.511 -4.747 1.503 373 HE2 LYS 52 HE2 LYS 52 68.103 -2.571 0.468 374 HE3 LYS 52 HE1 LYS 52 68.873 -3.424 -0.868 375 HZ1 LYS 52 HZ1 LYS 52 66.463 -4.593 -0.776 376 HZ2 LYS 52 HZ2 LYS 52 66.862 -3.293 -1.794 377 HZ3 LYS 52 HZ3 LYS 52 66.073 -3.009 -0.316 378 H CYS 53 HN CYS 53 72.268 -5.840 5.451 379 HA CYS 53 HA CYS 53 72.614 -8.722 5.621 380 HB2 CYS 53 HB2 CYS 53 73.304 -6.362 7.324 381 HB3 CYS 53 HB1 CYS 53 73.390 -7.995 7.991 382 HG CYS 53 HG CYS 53 75.363 -8.506 6.549 383 H SER 54 HN SER 54 71.361 -6.578 8.139 384 HA SER 54 HA SER 54 69.789 -8.499 9.399 385 HB2 SER 54 HB2 SER 54 69.340 -5.512 9.405 386 HB3 SER 54 HB1 SER 54 68.862 -6.663 10.647 387 HG SER 54 HG SER 54 71.488 -5.965 9.841 388 H ASP 55 HN ASP 55 68.958 -6.122 6.975 389 HA ASP 55 HA ASP 55 67.295 -5.919 5.451 390 HB2 ASP 55 HB2 ASP 55 66.162 -8.542 6.357 391 HB3 ASP 55 HB1 ASP 55 65.972 -7.729 4.822 392 H LEU 56 HN LEU 56 66.968 -4.552 7.675 393 HA LEU 56 HA LEU 56 64.175 -4.092 7.787 394 HB2 LEU 56 HB2 LEU 56 63.893 -4.420 10.227 395 HB3 LEU 56 HB1 LEU 56 64.159 -5.904 9.357 396 HG LEU 56 HG LEU 56 66.767 -5.181 10.103 397 HD11 LEU 56 HD11 LEU 56 65.726 -3.418 11.614 398 HD12 LEU 56 HD12 LEU 56 66.814 -4.565 12.380 399 HD13 LEU 56 HD13 LEU 56 65.071 -4.755 12.551 400 HD21 LEU 56 HD21 LEU 56 66.565 -6.963 11.821 401 HD22 LEU 56 HD22 LEU 56 65.960 -7.452 10.249 402 HD23 LEU 56 HD23 LEU 56 64.831 -7.021 11.536 403 H CYS 57 HN CYS 57 67.357 -3.529 9.207 404 HA CYS 57 HA CYS 57 66.692 -0.757 9.947 405 HB2 CYS 57 HB2 CYS 57 67.821 -1.927 11.636 406 HB3 CYS 57 HB1 CYS 57 69.000 -2.593 10.547 407 H GLN 58 HN GLN 58 67.390 0.936 8.795 408 HA GLN 58 HA GLN 58 68.452 0.461 6.161 409 HB2 GLN 58 HB2 GLN 58 68.178 3.204 7.318 410 HB3 GLN 58 HB1 GLN 58 67.901 2.649 5.672 411 HG2 GLN 58 HG2 GLN 58 65.927 1.289 6.664 412 HG3 GLN 58 HG1 GLN 58 66.108 2.320 8.087 413 HE21 GLN 58 HE21 GLN 58 64.916 4.206 8.023 414 HE22 GLN 58 HE22 GLN 58 64.361 4.965 6.610 415 H TYR 59 HN TYR 59 69.689 2.094 9.055 416 HA TYR 59 HA TYR 59 72.106 2.970 7.800 417 HB2 TYR 59 HB2 TYR 59 70.727 3.570 10.116 418 HB3 TYR 59 HB1 TYR 59 72.215 2.830 10.685 419 HD1 TYR 59 HD2 TYR 59 74.430 3.834 10.153 420 HD2 TYR 59 HD1 TYR 59 70.785 5.680 8.779 421 HE1 TYR 59 HE2 TYR 59 75.670 5.899 9.606 422 HE2 TYR 59 HE1 TYR 59 72.039 7.735 8.239 423 HH TYR 59 HH TYR 59 73.989 8.818 8.501 424 H CYS 60 HN CYS 60 71.191 0.014 9.400 425 HA CYS 60 HA CYS 60 73.696 -0.856 10.282 426 HB2 CYS 60 HB2 CYS 60 71.150 -2.108 9.520 427 HB3 CYS 60 HB1 CYS 60 72.539 -3.156 9.627 428 H ARG 61 HN ARG 61 72.383 -0.516 7.117 429 HA ARG 61 HA ARG 61 73.725 -2.508 5.677 430 HB2 ARG 61 HB2 ARG 61 72.928 0.295 4.852 431 HB3 ARG 61 HB1 ARG 61 73.487 -0.934 3.727 432 HG2 ARG 61 HG2 ARG 61 71.595 -2.379 4.271 433 HG3 ARG 61 HG1 ARG 61 71.061 -1.277 5.530 434 HD2 ARG 61 HD2 ARG 61 70.592 0.442 3.825 435 HD3 ARG 61 HD1 ARG 61 71.166 -0.643 2.561 436 HE ARG 61 HE ARG 61 69.186 -1.994 4.000 437 HH11 ARG 61 HH21 ARG 61 69.531 0.800 1.997 438 HH12 ARG 61 HH22 ARG 61 67.904 0.747 1.405 439 HH21 ARG 61 HH11 ARG 61 67.056 -2.073 3.241 440 HH22 ARG 61 HH12 ARG 61 66.500 -0.884 2.111 441 H TYR 62 HN TYR 62 74.808 0.754 6.531 442 HA TYR 62 HA TYR 62 77.386 0.394 5.180 443 HB2 TYR 62 HB2 TYR 62 76.388 2.767 6.752 444 HB3 TYR 62 HB1 TYR 62 77.771 2.714 5.676 445 HD1 TYR 62 HD1 TYR 62 77.442 2.344 3.190 446 HD2 TYR 62 HD2 TYR 62 74.101 2.992 5.841 447 HE1 TYR 62 HE1 TYR 62 75.994 2.851 1.257 448 HE2 TYR 62 HE2 TYR 62 72.677 3.513 3.902 449 HH TYR 62 HH TYR 62 72.522 3.322 1.629 450 H GLN 63 HN GLN 63 76.166 1.143 8.421 451 HA GLN 63 HA GLN 63 78.565 -0.074 9.659 452 HB2 GLN 63 HB2 GLN 63 77.398 2.653 10.324 453 HB3 GLN 63 HB1 GLN 63 78.546 1.798 11.346 454 HG2 GLN 63 HG2 GLN 63 80.222 1.865 9.505 455 HG3 GLN 63 HG1 GLN 63 79.065 2.719 8.493 456 HE21 GLN 63 HE21 GLN 63 81.159 4.221 8.665 457 HE22 GLN 63 HE22 GLN 63 81.065 5.415 9.869 458 H LYS 64 HN LYS 64 77.944 -1.573 10.967 459 HA LYS 64 HA LYS 64 75.316 -2.136 11.760 460 HB2 LYS 64 HB2 LYS 64 77.846 -2.894 13.224 461 HB3 LYS 64 HB1 LYS 64 76.291 -3.678 13.401 462 HG2 LYS 64 HG2 LYS 64 78.016 -3.651 10.882 463 HG3 LYS 64 HG1 LYS 64 77.828 -4.999 11.989 464 HD2 LYS 64 HD2 LYS 64 75.257 -4.817 11.378 465 HD3 LYS 64 HD1 LYS 64 75.838 -3.899 9.996 466 HE2 LYS 64 HE2 LYS 64 77.448 -5.866 9.569 467 HE3 LYS 64 HE1 LYS 64 76.432 -6.772 10.694 468 HZ1 LYS 64 HZ1 LYS 64 75.001 -7.093 9.073 469 HZ2 LYS 64 HZ2 LYS 64 75.963 -6.194 7.999 470 HZ3 LYS 64 HZ3 LYS 64 74.764 -5.421 8.921 471 H ASP 65 HN ASP 65 74.075 -1.689 13.404 472 HA ASP 65 HA ASP 65 74.992 0.264 15.452 473 HB2 ASP 65 HB2 ASP 65 72.122 0.087 14.803 474 HB3 ASP 65 HB1 ASP 65 73.083 1.478 15.221 475 H LEU 66 HN LEU 66 74.491 -2.886 15.221 476 HA LEU 66 HA LEU 66 72.401 -3.580 16.904 477 HB2 LEU 66 HB2 LEU 66 74.974 -4.896 16.116 478 HB3 LEU 66 HB1 LEU 66 74.078 -5.621 17.431 479 HG LEU 66 HG LEU 66 72.031 -5.527 15.701 480 HD11 LEU 66 HD11 LEU 66 73.458 -4.219 14.027 481 HD12 LEU 66 HD12 LEU 66 72.600 -5.624 13.413 482 HD13 LEU 66 HD13 LEU 66 74.325 -5.729 13.750 483 HD21 LEU 66 HD21 LEU 66 74.332 -7.487 15.633 484 HD22 LEU 66 HD22 LEU 66 72.849 -7.720 14.709 485 HD23 LEU 66 HD23 LEU 66 72.781 -7.644 16.466 486 H ALA 67 HN ALA 67 74.922 -1.698 17.995 487 HA ALA 67 HA ALA 67 75.439 -2.839 20.524 488 HB1 ALA 67 HB1 ALA 67 75.501 0.035 20.615 489 HB2 ALA 67 HB2 ALA 67 76.214 -0.533 19.105 490 HB3 ALA 67 HB3 ALA 67 76.844 -1.107 20.649 491 H ILE 68 HN ILE 68 72.977 -0.519 19.403 492 HA ILE 68 HA ILE 68 71.943 0.093 21.921 493 HB ILE 68 HB ILE 68 69.737 0.512 20.585 494 HG12 ILE 68 HG12 ILE 68 71.483 0.796 18.194 495 HG13 ILE 68 HG11 ILE 68 71.004 -0.848 18.561 496 HG21 ILE 68 HG21 ILE 68 72.342 2.006 20.224 497 HG22 ILE 68 HG22 ILE 68 70.983 2.410 21.281 498 HG23 ILE 68 HG23 ILE 68 70.829 2.591 19.534 499 HD11 ILE 68 HD11 ILE 68 69.511 0.345 16.969 500 HD12 ILE 68 HD12 ILE 68 69.017 1.403 18.294 501 HD13 ILE 68 HD13 ILE 68 68.714 -0.334 18.368 502 H HIS 69 HN HIS 69 70.609 -2.353 19.632 503 HA HIS 69 HA HIS 69 68.604 -3.327 21.302 504 HB2 HIS 69 HB2 HIS 69 68.819 -3.920 18.913 505 HB3 HIS 69 HB1 HIS 69 70.254 -4.875 19.285 506 HD2 HIS 69 HD2 HIS 69 66.360 -5.103 19.708 507 HE1 HIS 69 HE1 HIS 69 68.033 -8.720 21.100 508 HE2 HIS 69 HE2 HIS 69 65.862 -7.520 20.556 509 H HIS 70 HN HIS 70 72.025 -4.286 21.070 510 HA HIS 70 HA HIS 70 71.830 -6.415 22.983 511 HB2 HIS 70 HB2 HIS 70 74.083 -4.930 21.676 512 HB3 HIS 70 HB1 HIS 70 74.410 -5.989 23.044 513 HD2 HIS 70 HD2 HIS 70 72.379 -6.482 19.632 514 HE1 HIS 70 HE1 HIS 70 74.457 -10.033 20.567 515 HE2 HIS 70 HE2 HIS 70 72.925 -8.917 18.878 516 H GLN 71 HN GLN 71 72.259 -6.422 25.151 517 HA GLN 71 HA GLN 71 71.909 -3.983 26.606 518 HB2 GLN 71 HB2 GLN 71 72.665 -6.784 27.474 519 HB3 GLN 71 HB1 GLN 71 72.389 -5.464 28.606 520 HG2 GLN 71 HG2 GLN 71 70.064 -5.243 27.841 521 HG3 GLN 71 HG1 GLN 71 70.332 -6.465 26.599 522 HE21 GLN 71 HE21 GLN 71 68.359 -7.354 27.989 523 HE22 GLN 71 HE22 GLN 71 68.784 -8.400 29.256 524 H HIS 72 HN HIS 72 73.369 -3.005 28.069 525 HA HIS 72 HA HIS 72 75.994 -2.669 27.041 526 HB2 HIS 72 HB2 HIS 72 74.709 -1.809 29.640 527 HB3 HIS 72 HB1 HIS 72 76.346 -1.353 29.169 528 HD2 HIS 72 HD2 HIS 72 72.652 -0.465 28.234 529 HE1 HIS 72 HE1 HIS 72 75.189 1.919 25.853 530 HE2 HIS 72 HE2 HIS 72 72.783 1.533 26.556 531 H HIS 73 HN HIS 73 74.666 -4.519 29.741 532 HA HIS 73 HA HIS 73 77.080 -5.253 30.981 533 HB2 HIS 73 HB2 HIS 73 74.384 -6.604 30.833 534 HB3 HIS 73 HB1 HIS 73 75.718 -7.245 31.794 535 HD2 HIS 73 HD2 HIS 73 75.990 -6.039 34.275 536 HE1 HIS 73 HE1 HIS 73 73.453 -2.735 33.587 537 HE2 HIS 73 HE2 HIS 73 74.846 -3.942 35.333 538 H HIS 74 HN HIS 74 75.207 -6.872 28.425 539 HA HIS 74 HA HIS 74 76.931 -9.113 28.177 540 HB2 HIS 74 HB2 HIS 74 74.863 -7.865 26.382 541 HB3 HIS 74 HB1 HIS 74 75.831 -9.238 25.844 542 HD2 HIS 74 HD2 HIS 74 75.074 -11.702 26.937 543 HE1 HIS 74 HE1 HIS 74 72.117 -10.219 29.554 544 HE2 HIS 74 HE2 HIS 74 73.150 -12.326 28.592 545 H GLY 75 HN GLY 75 76.795 -5.974 26.552 546 HA2 GLY 75 HA2 GLY 75 78.758 -6.469 24.590 547 HA3 GLY 75 HA1 GLY 75 78.296 -4.881 25.197 548 H GLY 76 HN GLY 76 78.975 -5.446 27.955 549 HA2 GLY 76 HA2 GLY 76 81.674 -4.623 27.970 550 HA3 GLY 76 HA1 GLY 76 80.769 -5.184 29.372 551 H SER 77 HN SER 77 83.565 -5.711 28.583 552 HA SER 77 HA SER 77 83.860 -8.348 27.604 553 HB2 SER 77 HB2 SER 77 86.135 -8.210 28.562 554 HB3 SER 77 HB1 SER 77 85.723 -6.766 27.640 555 HG SER 77 HG SER 77 85.840 -5.639 29.412 556 H MET 78 HN MET 78 83.066 -7.062 30.731 557 HA MET 78 HA MET 78 83.776 -9.286 32.330 558 HB2 MET 78 HB2 MET 78 81.732 -7.085 32.647 559 HB3 MET 78 HB1 MET 78 81.954 -8.338 33.862 560 HG2 MET 78 HG2 MET 78 84.228 -7.656 34.278 561 HG3 MET 78 HG1 MET 78 84.240 -6.628 32.846 562 HE1 MET 78 HE1 MET 78 82.442 -5.767 36.966 563 HE2 MET 78 HE2 MET 78 83.979 -6.561 36.638 564 HE3 MET 78 HE3 MET 78 82.468 -7.360 36.204 565 H GLY 79 HN GLY 79 80.817 -8.442 30.587 566 HA2 GLY 79 HA2 GLY 79 79.221 -10.580 31.534 567 HA3 GLY 79 HA1 GLY 79 78.940 -9.664 30.058 568 H MET 80 HN MET 80 81.385 -10.262 28.752 569 HA MET 80 HA MET 80 80.733 -12.833 27.636 570 HB2 MET 80 HB2 MET 80 82.997 -10.884 27.137 571 HB3 MET 80 HB1 MET 80 82.814 -12.396 26.254 572 HG2 MET 80 HG2 MET 80 80.667 -11.683 25.348 573 HG3 MET 80 HG1 MET 80 80.658 -10.257 26.380 574 HE1 MET 80 HE1 MET 80 82.907 -10.934 22.468 575 HE2 MET 80 HE2 MET 80 81.251 -11.399 22.836 576 HE3 MET 80 HE3 MET 80 82.590 -12.203 23.653 577 H SER 81 HN SER 81 81.789 -14.751 27.838 578 HA SER 81 HA SER 81 83.155 -15.299 30.243 579 HB2 SER 81 HB2 SER 81 83.591 -17.515 29.238 580 HB3 SER 81 HB1 SER 81 81.914 -17.022 29.032 581 HG SER 81 HG SER 81 83.757 -17.598 27.170 582 H GLY 82 HN GLY 82 84.301 -14.709 26.948 583 HA2 GLY 82 HA2 GLY 82 86.388 -14.196 26.125 584 HA3 GLY 82 HA1 GLY 82 86.802 -13.689 27.759 585 H SER 83 HN SER 83 88.697 -14.631 28.231 586 HA SER 83 HA SER 83 89.563 -17.131 27.193 587 HB2 SER 83 HB2 SER 83 91.166 -15.445 27.921 588 HB3 SER 83 HB1 SER 83 90.547 -15.532 29.568 589 HG SER 83 HG SER 83 92.498 -16.878 28.766 590 H GLY 84 HN GLY 84 89.666 -19.152 28.135 591 HA2 GLY 84 HA2 GLY 84 87.556 -19.847 29.926 592 HA3 GLY 84 HA1 GLY 84 88.812 -20.928 29.332 593 H THR 85 HN THR 85 87.724 -20.778 32.004 594 HA THR 85 HA THR 85 89.496 -19.436 33.775 595 HB THR 85 HB THR 85 88.550 -21.097 35.467 596 HG1 THR 85 HG1 THR 85 87.266 -22.624 34.767 597 HG21 THR 85 HG21 THR 85 86.173 -20.181 35.217 598 HG22 THR 85 HG22 THR 85 86.735 -19.374 33.756 599 HG23 THR 85 HG23 THR 85 87.452 -18.974 35.315 600 H GLY 86 HN GLY 86 89.538 -22.585 32.231 601 HA2 GLY 86 HA2 GLY 86 91.521 -23.820 33.807 602 HA3 GLY 86 HA1 GLY 86 91.133 -24.240 32.142 603 H TYR 87 HN TYR 87 91.718 -21.666 31.020 604 HA TYR 87 HA TYR 87 94.529 -21.086 31.577 605 HB2 TYR 87 HB2 TYR 87 93.559 -22.348 29.016 606 HB3 TYR 87 HB1 TYR 87 95.034 -21.403 29.083 607 HD1 TYR 87 HD2 TYR 87 96.938 -22.113 30.601 608 HD2 TYR 87 HD1 TYR 87 93.500 -24.636 29.971 609 HE1 TYR 87 HE2 TYR 87 98.181 -24.046 31.506 610 HE2 TYR 87 HE1 TYR 87 94.757 -26.558 30.873 611 HH TYR 87 HH TYR 87 96.620 -27.220 31.888 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 61.125 -21.553 36.793 2 H2 MET 1 HT2 MET 1 60.547 -22.912 35.951 3 H3 MET 1 HT3 MET 1 59.893 -22.507 37.468 4 HA MET 1 HA MET 1 59.412 -21.307 34.844 5 HB2 MET 1 HB2 MET 1 57.791 -22.019 37.303 6 HB3 MET 1 HB1 MET 1 57.130 -21.048 35.990 7 HG2 MET 1 HG2 MET 1 57.343 -22.833 34.418 8 HG3 MET 1 HG1 MET 1 58.435 -23.721 35.466 9 HE1 MET 1 HE1 MET 1 53.861 -23.314 35.936 10 HE2 MET 1 HE2 MET 1 54.915 -22.300 34.966 11 HE3 MET 1 HE3 MET 1 54.825 -22.055 36.707 12 H GLY 2 HN GLY 2 60.449 -20.452 37.991 13 HA2 GLY 2 HA2 GLY 2 59.345 -17.818 38.141 14 HA3 GLY 2 HA1 GLY 2 60.684 -18.442 39.099 15 H ALA 3 HN ALA 3 60.658 -15.830 38.114 16 HA ALA 3 HA ALA 3 63.155 -15.757 36.662 17 HB1 ALA 3 HB1 ALA 3 61.693 -16.075 34.760 18 HB2 ALA 3 HB2 ALA 3 62.257 -14.408 34.766 19 HB3 ALA 3 HB3 ALA 3 60.623 -14.788 35.315 20 HA PRO 4 HA PRO 4 62.063 -12.122 39.529 21 HB2 PRO 4 HB2 PRO 4 64.878 -12.392 40.363 22 HB3 PRO 4 HB1 PRO 4 63.417 -12.286 41.358 23 HG2 PRO 4 HG2 PRO 4 64.858 -14.551 41.050 24 HG3 PRO 4 HG1 PRO 4 63.122 -14.529 41.390 25 HD2 PRO 4 HD2 PRO 4 64.533 -15.162 38.849 26 HD3 PRO 4 HD1 PRO 4 62.963 -15.729 39.458 27 H VAL 5 HN VAL 5 62.604 -9.989 39.114 28 HA VAL 5 HA VAL 5 64.857 -9.320 37.321 29 HB VAL 5 HB VAL 5 63.123 -7.676 36.230 30 HG11 VAL 5 HG11 VAL 5 64.115 -9.293 34.830 31 HG12 VAL 5 HG12 VAL 5 62.379 -9.521 34.640 32 HG13 VAL 5 HG13 VAL 5 63.299 -10.625 35.647 33 HG21 VAL 5 HG21 VAL 5 61.177 -9.874 36.870 34 HG22 VAL 5 HG22 VAL 5 60.856 -8.239 36.298 35 HG23 VAL 5 HG23 VAL 5 61.330 -8.502 37.971 36 HA PRO 6 HA PRO 6 64.426 -6.549 41.188 37 HB2 PRO 6 HB2 PRO 6 67.379 -6.497 40.867 38 HB3 PRO 6 HB1 PRO 6 66.407 -6.714 42.332 39 HG2 PRO 6 HG2 PRO 6 67.725 -8.727 41.177 40 HG3 PRO 6 HG1 PRO 6 66.182 -8.956 42.014 41 HD2 PRO 6 HD2 PRO 6 66.760 -8.964 39.090 42 HD3 PRO 6 HD1 PRO 6 65.515 -9.832 40.011 43 H TYR 7 HN TYR 7 66.607 -6.297 38.412 44 HA TYR 7 HA TYR 7 66.982 -3.523 38.498 45 HB2 TYR 7 HB2 TYR 7 67.308 -5.671 36.460 46 HB3 TYR 7 HB1 TYR 7 67.320 -4.023 35.879 47 HD1 TYR 7 HD1 TYR 7 68.857 -6.315 38.397 48 HD2 TYR 7 HD2 TYR 7 69.334 -2.642 36.191 49 HE1 TYR 7 HE1 TYR 7 71.184 -6.115 39.208 50 HE2 TYR 7 HE2 TYR 7 71.646 -2.456 37.004 51 HH TYR 7 HH TYR 7 73.209 -5.051 38.738 52 HA PRO 8 HA PRO 8 62.949 -2.280 36.865 53 HB2 PRO 8 HB2 PRO 8 63.387 0.109 35.665 54 HB3 PRO 8 HB1 PRO 8 63.502 -0.098 37.421 55 HG2 PRO 8 HG2 PRO 8 65.677 -0.004 35.388 56 HG3 PRO 8 HG1 PRO 8 65.584 0.770 36.978 57 HD2 PRO 8 HD2 PRO 8 66.969 -1.543 36.542 58 HD3 PRO 8 HD1 PRO 8 66.229 -1.119 38.100 59 H ASP 9 HN ASP 9 65.257 -3.470 34.967 60 HA ASP 9 HA ASP 9 65.459 -4.229 32.809 61 HB2 ASP 9 HB2 ASP 9 63.409 -5.405 33.489 62 HB3 ASP 9 HB1 ASP 9 62.432 -4.097 32.845 63 HA PRO 10 HA PRO 10 64.593 0.037 30.995 64 HB2 PRO 10 HB2 PRO 10 67.164 0.841 30.534 65 HB3 PRO 10 HB1 PRO 10 66.290 1.150 32.044 66 HG2 PRO 10 HG2 PRO 10 68.419 -0.801 31.462 67 HG3 PRO 10 HG1 PRO 10 68.008 0.013 32.977 68 HD2 PRO 10 HD2 PRO 10 67.376 -2.627 32.306 69 HD3 PRO 10 HD1 PRO 10 66.666 -1.698 33.639 70 H LEU 11 HN LEU 11 66.307 -2.749 30.038 71 HA LEU 11 HA LEU 11 67.082 -2.066 27.410 72 HB2 LEU 11 HB2 LEU 11 66.326 -4.718 28.659 73 HB3 LEU 11 HB1 LEU 11 66.954 -4.588 27.027 74 HG LEU 11 HG LEU 11 68.415 -3.555 29.507 75 HD11 LEU 11 HD11 LEU 11 68.530 -6.266 28.194 76 HD12 LEU 11 HD12 LEU 11 68.336 -5.863 29.900 77 HD13 LEU 11 HD13 LEU 11 69.892 -5.622 29.110 78 HD21 LEU 11 HD21 LEU 11 69.201 -3.706 26.606 79 HD22 LEU 11 HD22 LEU 11 70.423 -4.096 27.806 80 HD23 LEU 11 HD23 LEU 11 69.631 -2.527 27.842 81 H GLU 12 HN GLU 12 64.112 -3.383 28.726 82 HA GLU 12 HA GLU 12 62.021 -3.784 27.872 83 HB2 GLU 12 HB2 GLU 12 62.759 -1.244 26.402 84 HB3 GLU 12 HB1 GLU 12 61.157 -1.958 26.358 85 HG2 GLU 12 HG2 GLU 12 62.386 -1.481 29.046 86 HG3 GLU 12 HG1 GLU 12 61.782 -0.100 28.146 87 HA PRO 13 HA PRO 13 63.896 -5.888 24.017 88 HB2 PRO 13 HB2 PRO 13 62.216 -8.108 25.068 89 HB3 PRO 13 HB1 PRO 13 63.872 -8.147 24.432 90 HG2 PRO 13 HG2 PRO 13 63.356 -8.373 27.036 91 HG3 PRO 13 HG1 PRO 13 64.797 -7.541 26.431 92 HD2 PRO 13 HD2 PRO 13 62.309 -6.387 27.604 93 HD3 PRO 13 HD1 PRO 13 63.982 -5.796 27.673 94 H ARG 14 HN ARG 14 60.635 -5.965 25.392 95 HA ARG 14 HA ARG 14 59.236 -6.626 23.025 96 HB2 ARG 14 HB2 ARG 14 58.399 -5.108 25.510 97 HB3 ARG 14 HB1 ARG 14 57.277 -5.549 24.225 98 HG2 ARG 14 HG2 ARG 14 57.714 -7.940 24.591 99 HG3 ARG 14 HG1 ARG 14 58.962 -7.563 25.775 100 HD2 ARG 14 HD2 ARG 14 57.267 -6.579 27.268 101 HD3 ARG 14 HD1 ARG 14 56.014 -6.883 26.063 102 HE ARG 14 HE ARG 14 57.297 -9.317 26.599 103 HH11 ARG 14 HH21 ARG 14 55.363 -6.929 28.185 104 HH12 ARG 14 HH22 ARG 14 54.653 -8.048 29.301 105 HH21 ARG 14 HH11 ARG 14 56.389 -10.784 28.069 106 HH22 ARG 14 HH12 ARG 14 55.234 -10.230 29.235 107 H GLY 15 HN GLY 15 60.263 -3.548 24.417 108 HA2 GLY 15 HA2 GLY 15 58.860 -1.840 22.663 109 HA3 GLY 15 HA1 GLY 15 60.318 -1.415 23.552 110 H GLY 16 HN GLY 16 62.087 -3.313 22.437 111 HA2 GLY 16 HA2 GLY 16 63.465 -3.656 20.617 112 HA3 GLY 16 HA1 GLY 16 62.071 -3.322 19.595 113 H LYS 17 HN LYS 17 64.996 -2.064 20.947 114 HA LYS 17 HA LYS 17 64.564 0.692 20.493 115 HB2 LYS 17 HB2 LYS 17 67.111 -0.954 20.414 116 HB3 LYS 17 HB1 LYS 17 67.054 0.803 20.483 117 HG2 LYS 17 HG2 LYS 17 65.939 0.721 22.674 118 HG3 LYS 17 HG1 LYS 17 65.877 -1.036 22.608 119 HD2 LYS 17 HD2 LYS 17 68.362 -1.125 22.606 120 HD3 LYS 17 HD1 LYS 17 68.419 0.634 22.688 121 HE2 LYS 17 HE2 LYS 17 67.261 0.563 24.877 122 HE3 LYS 17 HE1 LYS 17 67.193 -1.199 24.781 123 HZ1 LYS 17 HZ1 LYS 17 69.814 -0.502 24.289 124 HZ2 LYS 17 HZ2 LYS 17 69.187 -1.229 25.692 125 HZ3 LYS 17 HZ3 LYS 17 69.332 0.460 25.601 126 H HIS 18 HN HIS 18 66.237 -1.777 18.592 127 HA HIS 18 HA HIS 18 66.927 -0.387 16.369 128 HB2 HIS 18 HB2 HIS 18 66.919 -3.050 17.040 129 HB3 HIS 18 HB1 HIS 18 65.784 -3.026 15.702 130 HD2 HIS 18 HD2 HIS 18 67.565 -0.747 13.887 131 HE1 HIS 18 HE1 HIS 18 70.517 -3.747 14.026 132 H ILE 19 HN ILE 19 63.713 -1.321 17.213 133 HA ILE 19 HA ILE 19 62.629 -0.496 14.581 134 HB ILE 19 HB ILE 19 61.436 -2.218 16.770 135 HG12 ILE 19 HG12 ILE 19 61.681 -3.028 13.885 136 HG13 ILE 19 HG11 ILE 19 63.129 -3.084 14.874 137 HG21 ILE 19 HG21 ILE 19 59.480 -1.178 16.032 138 HG22 ILE 19 HG22 ILE 19 59.592 -2.474 14.855 139 HG23 ILE 19 HG23 ILE 19 60.109 -0.855 14.412 140 HD11 ILE 19 HD11 ILE 19 60.545 -4.423 15.731 141 HD12 ILE 19 HD12 ILE 19 62.172 -4.685 16.369 142 HD13 ILE 19 HD13 ILE 19 61.759 -5.239 14.750 143 H CYS 20 HN CYS 20 62.017 1.548 14.546 144 HA CYS 20 HA CYS 20 61.391 3.033 16.948 145 HB2 CYS 20 HB2 CYS 20 62.426 4.177 15.069 146 HB3 CYS 20 HB1 CYS 20 61.120 3.704 14.019 147 H ALA 21 HN ALA 21 59.290 3.877 17.498 148 HA ALA 21 HA ALA 21 57.131 2.011 17.033 149 HB1 ALA 21 HB1 ALA 21 57.565 3.175 19.209 150 HB2 ALA 21 HB2 ALA 21 55.912 3.345 18.618 151 HB3 ALA 21 HB3 ALA 21 57.053 4.679 18.445 152 H ILE 22 HN ILE 22 58.257 4.803 15.523 153 HA ILE 22 HA ILE 22 55.708 5.367 14.132 154 HB ILE 22 HB ILE 22 58.059 7.162 14.799 155 HG12 ILE 22 HG12 ILE 22 55.184 7.795 15.411 156 HG13 ILE 22 HG11 ILE 22 55.994 6.623 16.430 157 HG21 ILE 22 HG21 ILE 22 57.510 8.069 12.700 158 HG22 ILE 22 HG22 ILE 22 56.402 8.950 13.727 159 HG23 ILE 22 HG23 ILE 22 55.821 7.575 12.805 160 HD11 ILE 22 HD11 ILE 22 56.079 9.048 17.221 161 HD12 ILE 22 HD12 ILE 22 57.176 9.359 15.879 162 HD13 ILE 22 HD13 ILE 22 57.629 8.214 17.145 163 H CYS 23 HN CYS 23 59.046 6.237 13.311 164 HA CYS 23 HA CYS 23 58.760 5.840 10.580 165 HB2 CYS 23 HB2 CYS 23 61.429 5.604 11.863 166 HB3 CYS 23 HB1 CYS 23 60.962 6.497 10.420 167 H GLY 24 HN GLY 24 59.058 3.502 12.950 168 HA2 GLY 24 HA2 GLY 24 59.097 1.215 12.728 169 HA3 GLY 24 HA1 GLY 24 59.317 1.405 11.008 170 H ASN 25 HN ASN 25 61.827 3.239 11.766 171 HA ASN 25 HA ASN 25 63.653 1.359 12.950 172 HB2 ASN 25 HB2 ASN 25 63.162 1.187 10.071 173 HB3 ASN 25 HB1 ASN 25 64.860 1.372 10.430 174 HD21 ASN 25 HD21 ASN 25 62.396 -0.911 10.173 175 HD22 ASN 25 HD22 ASN 25 63.138 -2.178 11.027 176 H ASN 26 HN ASN 26 63.080 4.452 12.792 177 HA ASN 26 HA ASN 26 65.852 5.383 12.157 178 HB2 ASN 26 HB2 ASN 26 63.385 6.990 12.740 179 HB3 ASN 26 HB1 ASN 26 64.974 7.666 12.438 180 HD21 ASN 26 HD21 ASN 26 65.061 8.423 10.335 181 HD22 ASN 26 HD22 ASN 26 64.444 7.607 8.979 182 H ALA 27 HN ALA 27 64.615 3.957 14.650 183 HA ALA 27 HA ALA 27 65.445 5.710 16.834 184 HB1 ALA 27 HB1 ALA 27 64.809 3.587 18.202 185 HB2 ALA 27 HB2 ALA 27 64.141 3.002 16.672 186 HB3 ALA 27 HB3 ALA 27 63.535 4.487 17.392 187 H GLU 28 HN GLU 28 67.597 5.714 15.655 188 HA GLU 28 HA GLU 28 69.440 3.809 16.953 189 HB2 GLU 28 HB2 GLU 28 69.744 4.636 14.053 190 HB3 GLU 28 HB1 GLU 28 70.733 3.486 14.944 191 HG2 GLU 28 HG2 GLU 28 68.465 2.175 15.225 192 HG3 GLU 28 HG1 GLU 28 67.952 3.159 13.857 193 H ASP 29 HN ASP 29 68.969 6.821 15.148 194 HA ASP 29 HA ASP 29 70.778 8.226 16.958 195 HB2 ASP 29 HB2 ASP 29 71.623 7.430 14.236 196 HB3 ASP 29 HB1 ASP 29 71.991 9.084 14.723 197 H TYR 30 HN TYR 30 69.675 8.860 13.596 198 HA TYR 30 HA TYR 30 68.962 11.567 14.271 199 HB2 TYR 30 HB2 TYR 30 68.629 9.932 11.749 200 HB3 TYR 30 HB1 TYR 30 68.245 11.634 11.882 201 HD1 TYR 30 HD1 TYR 30 71.010 9.146 12.007 202 HD2 TYR 30 HD2 TYR 30 70.037 13.345 12.011 203 HE1 TYR 30 HE1 TYR 30 73.381 9.706 11.632 204 HE2 TYR 30 HE2 TYR 30 72.409 13.887 11.630 205 HH TYR 30 HH TYR 30 74.885 11.331 11.445 206 H LYS 31 HN LYS 31 66.976 12.416 14.513 207 HA LYS 31 HA LYS 31 64.608 10.631 14.460 208 HB2 LYS 31 HB2 LYS 31 65.279 12.786 16.492 209 HB3 LYS 31 HB1 LYS 31 63.761 11.899 16.437 210 HG2 LYS 31 HG2 LYS 31 64.977 9.768 16.840 211 HG3 LYS 31 HG1 LYS 31 66.498 10.651 16.909 212 HD2 LYS 31 HD2 LYS 31 65.675 11.918 18.888 213 HD3 LYS 31 HD1 LYS 31 64.149 11.045 18.819 214 HE2 LYS 31 HE2 LYS 31 65.351 8.914 19.237 215 HE3 LYS 31 HE1 LYS 31 66.877 9.799 19.318 216 HZ1 LYS 31 HZ1 LYS 31 66.372 9.874 21.489 217 HZ2 LYS 31 HZ2 LYS 31 64.707 9.655 21.236 218 HZ3 LYS 31 HZ3 LYS 31 65.405 11.191 21.033 219 H HIS 32 HN HIS 32 65.415 12.090 12.285 220 HA HIS 32 HA HIS 32 63.964 14.614 12.204 221 HB2 HIS 32 HB2 HIS 32 65.603 13.033 10.299 222 HB3 HIS 32 HB1 HIS 32 64.440 14.184 9.639 223 HD2 HIS 32 HD2 HIS 32 67.599 14.254 12.020 224 HE1 HIS 32 HE1 HIS 32 66.860 18.173 10.641 225 HE2 HIS 32 HE2 HIS 32 68.473 16.720 11.953 226 H THR 33 HN THR 33 63.416 11.317 11.129 227 HA THR 33 HA THR 33 61.006 11.948 9.655 228 HB THR 33 HB THR 33 60.792 9.409 9.652 229 HG1 THR 33 HG1 THR 33 63.420 9.546 10.669 230 HG21 THR 33 HG21 THR 33 62.918 9.150 8.217 231 HG22 THR 33 HG22 THR 33 63.218 10.852 8.559 232 HG23 THR 33 HG23 THR 33 61.754 10.368 7.706 233 H ASP 34 HN ASP 34 61.776 11.504 12.931 234 HA ASP 34 HA ASP 34 59.422 10.175 13.818 235 HB2 ASP 34 HB2 ASP 34 61.481 11.900 15.145 236 HB3 ASP 34 HB1 ASP 34 60.017 11.489 16.018 237 H MET 35 HN MET 35 60.175 13.542 13.194 238 HA MET 35 HA MET 35 57.819 14.621 14.379 239 HB2 MET 35 HB2 MET 35 59.560 15.740 12.165 240 HB3 MET 35 HB1 MET 35 58.329 16.648 13.031 241 HG2 MET 35 HG2 MET 35 59.574 16.283 15.165 242 HG3 MET 35 HG1 MET 35 60.822 15.418 14.276 243 HE1 MET 35 HE1 MET 35 62.061 16.442 12.211 244 HE2 MET 35 HE2 MET 35 63.019 16.699 13.666 245 HE3 MET 35 HE3 MET 35 62.855 17.993 12.487 246 H ASP 36 HN ASP 36 58.619 13.580 11.088 247 HA ASP 36 HA ASP 36 55.865 13.009 10.481 248 HB2 ASP 36 HB2 ASP 36 55.764 15.414 10.105 249 HB3 ASP 36 HB1 ASP 36 57.204 15.341 9.092 250 H LEU 37 HN LEU 37 55.702 11.538 8.883 251 HA LEU 37 HA LEU 37 58.101 10.320 7.847 252 HB2 LEU 37 HB2 LEU 37 55.249 9.851 6.940 253 HB3 LEU 37 HB1 LEU 37 56.603 8.759 6.726 254 HG LEU 37 HG LEU 37 55.283 9.513 9.380 255 HD11 LEU 37 HD11 LEU 37 53.930 7.949 8.067 256 HD12 LEU 37 HD12 LEU 37 54.603 7.165 9.490 257 HD13 LEU 37 HD13 LEU 37 55.314 6.865 7.909 258 HD21 LEU 37 HD21 LEU 37 57.763 7.877 8.824 259 HD22 LEU 37 HD22 LEU 37 56.736 7.503 10.204 260 HD23 LEU 37 HD23 LEU 37 57.481 9.091 10.072 261 H THR 38 HN THR 38 58.820 10.261 5.735 262 HA THR 38 HA THR 38 58.339 12.651 4.180 263 HB THR 38 HB THR 38 59.922 10.309 3.165 264 HG1 THR 38 HG1 THR 38 60.738 12.105 5.197 265 HG21 THR 38 HG21 THR 38 60.678 13.238 3.207 266 HG22 THR 38 HG22 THR 38 59.653 12.567 1.933 267 HG23 THR 38 HG23 THR 38 61.290 11.963 2.159 268 H TYR 39 HN TYR 39 56.878 12.878 2.609 269 HA TYR 39 HA TYR 39 55.041 10.853 1.905 270 HB2 TYR 39 HB2 TYR 39 54.461 13.195 1.734 271 HB3 TYR 39 HB1 TYR 39 55.727 13.464 0.558 272 HD1 TYR 39 HD2 TYR 39 52.513 11.646 1.156 273 HD2 TYR 39 HD1 TYR 39 55.349 12.947 -1.820 274 HE1 TYR 39 HE2 TYR 39 50.939 11.020 -0.636 275 HE2 TYR 39 HE1 TYR 39 53.766 12.324 -3.593 276 HH TYR 39 HH TYR 39 51.864 10.853 -3.935 277 H THR 40 HN THR 40 57.784 12.228 0.087 278 HA THR 40 HA THR 40 57.476 10.436 -2.133 279 HB THR 40 HB THR 40 60.059 11.827 -1.493 280 HG1 THR 40 HG1 THR 40 57.571 12.962 -1.785 281 HG21 THR 40 HG21 THR 40 58.536 11.778 -4.103 282 HG22 THR 40 HG22 THR 40 59.597 10.446 -3.636 283 HG23 THR 40 HG23 THR 40 60.252 12.067 -3.840 284 H ASP 41 HN ASP 41 58.288 8.445 -2.413 285 HA ASP 41 HA ASP 41 60.509 7.424 -0.760 286 HB2 ASP 41 HB2 ASP 41 57.815 6.048 -0.996 287 HB3 ASP 41 HB1 ASP 41 59.243 5.373 -0.218 288 H ARG 42 HN ARG 42 59.719 8.131 -3.670 289 HA ARG 42 HA ARG 42 59.820 5.668 -5.124 290 HB2 ARG 42 HB2 ARG 42 60.387 8.538 -5.917 291 HB3 ARG 42 HB1 ARG 42 60.432 7.196 -7.058 292 HG2 ARG 42 HG2 ARG 42 58.060 6.688 -6.626 293 HG3 ARG 42 HG1 ARG 42 57.995 7.927 -5.378 294 HD2 ARG 42 HD2 ARG 42 58.389 9.670 -7.075 295 HD3 ARG 42 HD1 ARG 42 58.533 8.436 -8.324 296 HE ARG 42 HE ARG 42 56.065 8.078 -7.036 297 HH11 ARG 42 HH21 ARG 42 57.732 10.364 -9.024 298 HH12 ARG 42 HH22 ARG 42 56.287 10.989 -9.746 299 HH21 ARG 42 HH11 ARG 42 54.174 8.893 -7.970 300 HH22 ARG 42 HH12 ARG 42 54.275 10.158 -9.152 301 H ASP 43 HN ASP 43 62.221 8.036 -4.079 302 HA ASP 43 HA ASP 43 64.426 6.802 -5.410 303 HB2 ASP 43 HB2 ASP 43 64.359 9.188 -4.657 304 HB3 ASP 43 HB1 ASP 43 64.480 8.620 -2.993 305 H TYR 44 HN TYR 44 66.079 5.525 -4.532 306 HA TYR 44 HA TYR 44 65.229 3.560 -2.641 307 HB2 TYR 44 HB2 TYR 44 67.934 4.122 -3.863 308 HB3 TYR 44 HB1 TYR 44 67.579 2.730 -2.864 309 HD1 TYR 44 HD2 TYR 44 66.003 0.948 -3.651 310 HD2 TYR 44 HD1 TYR 44 66.988 4.310 -6.164 311 HE1 TYR 44 HE2 TYR 44 65.068 -0.231 -5.607 312 HE2 TYR 44 HE1 TYR 44 66.049 3.122 -8.105 313 HH TYR 44 HH TYR 44 64.810 1.357 -8.765 314 H LYS 45 HN LYS 45 65.857 3.221 -0.548 315 HA LYS 45 HA LYS 45 66.408 5.474 1.063 316 HB2 LYS 45 HB2 LYS 45 66.632 2.506 1.651 317 HB3 LYS 45 HB1 LYS 45 66.774 3.763 2.877 318 HG2 LYS 45 HG2 LYS 45 64.470 4.528 2.408 319 HG3 LYS 45 HG1 LYS 45 64.322 3.343 1.115 320 HD2 LYS 45 HD2 LYS 45 64.555 1.503 2.769 321 HD3 LYS 45 HD1 LYS 45 64.738 2.683 4.062 322 HE2 LYS 45 HE2 LYS 45 62.448 3.515 3.636 323 HE3 LYS 45 HE1 LYS 45 62.267 2.359 2.315 324 HZ1 LYS 45 HZ1 LYS 45 62.837 0.617 4.040 325 HZ2 LYS 45 HZ2 LYS 45 61.303 1.339 4.155 326 HZ3 LYS 45 HZ3 LYS 45 62.552 1.816 5.203 327 H ASN 46 HN ASN 46 68.467 2.858 -0.145 328 HA ASN 46 HA ASN 46 70.838 4.515 0.111 329 HB2 ASN 46 HB2 ASN 46 70.716 3.594 2.370 330 HB3 ASN 46 HB1 ASN 46 70.541 1.965 1.721 331 HD21 ASN 46 HD21 ASN 46 72.546 1.316 2.833 332 HD22 ASN 46 HD22 ASN 46 74.059 1.786 2.224 333 H CYS 47 HN CYS 47 71.471 4.303 -1.945 334 HA CYS 47 HA CYS 47 71.119 1.976 -3.530 335 HB2 CYS 47 HB2 CYS 47 72.971 4.347 -3.856 336 HB3 CYS 47 HB1 CYS 47 72.731 3.102 -5.080 337 HG CYS 47 HG CYS 47 70.352 4.865 -4.062 338 H GLU 48 HN GLU 48 73.845 3.223 -1.653 339 HA GLU 48 HA GLU 48 75.704 1.219 -2.481 340 HB2 GLU 48 HB2 GLU 48 75.652 3.050 -0.063 341 HB3 GLU 48 HB1 GLU 48 77.007 2.005 -0.470 342 HG2 GLU 48 HG2 GLU 48 77.332 3.187 -2.600 343 HG3 GLU 48 HG1 GLU 48 75.906 4.174 -2.295 344 H SER 49 HN SER 49 76.460 -0.581 -1.338 345 HA SER 49 HA SER 49 75.191 -1.484 1.096 346 HB2 SER 49 HB2 SER 49 74.303 -3.581 0.054 347 HB3 SER 49 HB1 SER 49 73.429 -2.129 -0.422 348 HG SER 49 HG SER 49 74.908 -3.866 -1.918 349 H TYR 50 HN TYR 50 76.031 -3.556 1.813 350 HA TYR 50 HA TYR 50 78.403 -4.647 0.518 351 HB2 TYR 50 HB2 TYR 50 78.725 -2.572 2.387 352 HB3 TYR 50 HB1 TYR 50 79.051 -4.038 3.279 353 HD1 TYR 50 HD1 TYR 50 80.100 -1.973 0.372 354 HD2 TYR 50 HD2 TYR 50 80.988 -5.496 2.701 355 HE1 TYR 50 HE1 TYR 50 82.311 -2.143 -0.707 356 HE2 TYR 50 HE2 TYR 50 83.195 -5.642 1.618 357 HH TYR 50 HH TYR 50 84.690 -4.564 0.316 358 H HIS 51 HN HIS 51 76.262 -4.522 3.315 359 HA HIS 51 HA HIS 51 76.098 -7.451 3.400 360 HB2 HIS 51 HB2 HIS 51 76.950 -5.761 5.763 361 HB3 HIS 51 HB1 HIS 51 76.410 -7.435 5.879 362 HD2 HIS 51 HD2 HIS 51 79.665 -5.561 5.372 363 HE1 HIS 51 HE1 HIS 51 80.359 -9.448 3.879 364 HE2 HIS 51 HE2 HIS 51 81.466 -7.268 4.569 365 H LYS 52 HN LYS 52 73.986 -7.189 2.688 366 HA LYS 52 HA LYS 52 72.076 -5.518 4.066 367 HB2 LYS 52 HB2 LYS 52 71.686 -7.751 2.060 368 HB3 LYS 52 HB1 LYS 52 70.439 -6.634 2.596 369 HG2 LYS 52 HG2 LYS 52 71.734 -4.728 1.656 370 HG3 LYS 52 HG1 LYS 52 72.977 -5.846 1.113 371 HD2 LYS 52 HD2 LYS 52 71.316 -6.981 -0.361 372 HD3 LYS 52 HD1 LYS 52 70.076 -5.852 0.177 373 HE2 LYS 52 HE2 LYS 52 71.375 -3.970 -0.774 374 HE3 LYS 52 HE1 LYS 52 72.619 -5.101 -1.312 375 HZ1 LYS 52 HZ1 LYS 52 69.988 -5.881 -2.114 376 HZ2 LYS 52 HZ2 LYS 52 71.397 -5.705 -3.045 377 HZ3 LYS 52 HZ3 LYS 52 70.418 -4.356 -2.717 378 H CYS 53 HN CYS 53 72.961 -6.693 6.103 379 HA CYS 53 HA CYS 53 72.015 -9.297 6.728 380 HB2 CYS 53 HB2 CYS 53 73.183 -7.014 8.262 381 HB3 CYS 53 HB1 CYS 53 72.419 -8.334 9.148 382 HG CYS 53 HG CYS 53 74.734 -9.287 8.841 383 H SER 54 HN SER 54 71.040 -6.239 8.263 384 HA SER 54 HA SER 54 68.375 -7.324 8.862 385 HB2 SER 54 HB2 SER 54 69.876 -4.953 9.950 386 HB3 SER 54 HB1 SER 54 68.221 -5.364 10.368 387 HG SER 54 HG SER 54 68.905 -7.095 11.435 388 H ASP 55 HN ASP 55 67.714 -7.070 6.688 389 HA ASP 55 HA ASP 55 67.618 -4.770 5.152 390 HB2 ASP 55 HB2 ASP 55 65.390 -6.803 5.384 391 HB3 ASP 55 HB1 ASP 55 65.736 -5.765 4.005 392 H LEU 56 HN LEU 56 65.766 -5.574 7.988 393 HA LEU 56 HA LEU 56 63.607 -3.762 7.651 394 HB2 LEU 56 HB2 LEU 56 64.863 -4.538 10.295 395 HB3 LEU 56 HB1 LEU 56 63.199 -4.052 10.020 396 HG LEU 56 HG LEU 56 64.514 -6.673 9.143 397 HD11 LEU 56 HD11 LEU 56 62.169 -6.225 11.007 398 HD12 LEU 56 HD12 LEU 56 63.824 -6.517 11.544 399 HD13 LEU 56 HD13 LEU 56 62.961 -7.753 10.636 400 HD21 LEU 56 HD21 LEU 56 62.062 -7.261 8.517 401 HD22 LEU 56 HD22 LEU 56 62.993 -6.300 7.375 402 HD23 LEU 56 HD23 LEU 56 61.807 -5.521 8.422 403 H CYS 57 HN CYS 57 66.797 -3.476 9.209 404 HA CYS 57 HA CYS 57 66.424 -0.600 9.678 405 HB2 CYS 57 HB2 CYS 57 67.315 -1.749 11.491 406 HB3 CYS 57 HB1 CYS 57 68.460 -2.641 10.526 407 H GLN 58 HN GLN 58 66.894 0.714 8.079 408 HA GLN 58 HA GLN 58 68.245 -0.068 5.743 409 HB2 GLN 58 HB2 GLN 58 67.967 2.224 5.014 410 HB3 GLN 58 HB1 GLN 58 66.505 1.673 5.821 411 HG2 GLN 58 HG2 GLN 58 67.568 2.789 7.961 412 HG3 GLN 58 HG1 GLN 58 68.567 3.650 6.792 413 HE21 GLN 58 HE21 GLN 58 67.678 5.532 5.984 414 HE22 GLN 58 HE22 GLN 58 66.023 5.908 5.991 415 H TYR 59 HN TYR 59 69.452 1.723 8.554 416 HA TYR 59 HA TYR 59 71.909 2.508 7.301 417 HB2 TYR 59 HB2 TYR 59 71.204 2.369 10.214 418 HB3 TYR 59 HB1 TYR 59 72.617 3.151 9.565 419 HD1 TYR 59 HD1 TYR 59 72.346 5.090 7.930 420 HD2 TYR 59 HD2 TYR 59 69.024 3.528 10.183 421 HE1 TYR 59 HE1 TYR 59 71.052 7.141 7.458 422 HE2 TYR 59 HE2 TYR 59 67.741 5.583 9.707 423 HH TYR 59 HH TYR 59 68.707 7.852 7.346 424 H CYS 60 HN CYS 60 70.876 -0.336 9.057 425 HA CYS 60 HA CYS 60 73.375 -1.329 9.840 426 HB2 CYS 60 HB2 CYS 60 70.695 -2.418 9.373 427 HB3 CYS 60 HB1 CYS 60 72.010 -3.563 9.411 428 H ARG 61 HN ARG 61 71.966 -1.014 6.731 429 HA ARG 61 HA ARG 61 73.068 -3.234 5.416 430 HB2 ARG 61 HB2 ARG 61 72.421 -0.457 4.409 431 HB3 ARG 61 HB1 ARG 61 72.872 -1.792 3.353 432 HG2 ARG 61 HG2 ARG 61 70.921 -3.096 4.067 433 HG3 ARG 61 HG1 ARG 61 70.493 -1.871 5.253 434 HD2 ARG 61 HD2 ARG 61 70.061 -0.251 3.466 435 HD3 ARG 61 HD1 ARG 61 70.546 -1.411 2.245 436 HE ARG 61 HE ARG 61 68.011 -1.277 3.633 437 HH11 ARG 61 HH21 ARG 61 70.215 -3.367 1.986 438 HH12 ARG 61 HH22 ARG 61 69.019 -4.565 1.632 439 HH21 ARG 61 HH11 ARG 61 66.450 -2.845 3.203 440 HH22 ARG 61 HH12 ARG 61 66.885 -4.272 2.326 441 H TYR 62 HN TYR 62 74.428 -0.014 5.972 442 HA TYR 62 HA TYR 62 77.050 -0.880 4.869 443 HB2 TYR 62 HB2 TYR 62 75.623 1.194 4.029 444 HB3 TYR 62 HB1 TYR 62 76.427 1.972 5.374 445 HD1 TYR 62 HD1 TYR 62 78.954 2.057 5.484 446 HD2 TYR 62 HD2 TYR 62 76.903 0.503 2.020 447 HE1 TYR 62 HE1 TYR 62 81.022 2.258 4.158 448 HE2 TYR 62 HE2 TYR 62 78.973 0.723 0.709 449 HH TYR 62 HH TYR 62 82.031 1.621 2.213 450 H GLN 63 HN GLN 63 75.551 0.913 7.536 451 HA GLN 63 HA GLN 63 78.049 0.666 9.149 452 HB2 GLN 63 HB2 GLN 63 75.844 2.743 9.250 453 HB3 GLN 63 HB1 GLN 63 77.133 2.610 10.439 454 HG2 GLN 63 HG2 GLN 63 78.821 3.071 8.721 455 HG3 GLN 63 HG1 GLN 63 77.577 3.082 7.474 456 HE21 GLN 63 HE21 GLN 63 79.379 5.117 9.426 457 HE22 GLN 63 HE22 GLN 63 78.349 6.465 9.422 458 H LYS 64 HN LYS 64 77.815 -1.053 10.436 459 HA LYS 64 HA LYS 64 75.334 -2.061 11.366 460 HB2 LYS 64 HB2 LYS 64 78.072 -2.453 12.578 461 HB3 LYS 64 HB1 LYS 64 76.666 -3.442 12.904 462 HG2 LYS 64 HG2 LYS 64 78.110 -3.194 10.226 463 HG3 LYS 64 HG1 LYS 64 78.229 -4.547 11.333 464 HD2 LYS 64 HD2 LYS 64 75.615 -4.745 10.985 465 HD3 LYS 64 HD1 LYS 64 75.913 -3.748 9.570 466 HE2 LYS 64 HE2 LYS 64 77.719 -5.450 8.922 467 HE3 LYS 64 HE1 LYS 64 77.004 -6.504 10.145 468 HZ1 LYS 64 HZ1 LYS 64 76.175 -6.521 7.674 469 HZ2 LYS 64 HZ2 LYS 64 75.216 -5.230 8.217 470 HZ3 LYS 64 HZ3 LYS 64 75.101 -6.750 8.966 471 H ASP 65 HN ASP 65 74.109 -1.664 12.941 472 HA ASP 65 HA ASP 65 74.863 0.317 15.034 473 HB2 ASP 65 HB2 ASP 65 72.045 -0.304 14.453 474 HB3 ASP 65 HB1 ASP 65 72.766 1.214 14.926 475 H LEU 66 HN LEU 66 74.712 -2.889 14.726 476 HA LEU 66 HA LEU 66 72.832 -3.900 16.475 477 HB2 LEU 66 HB2 LEU 66 75.611 -4.849 15.802 478 HB3 LEU 66 HB1 LEU 66 74.540 -5.806 16.805 479 HG LEU 66 HG LEU 66 73.498 -4.851 14.135 480 HD11 LEU 66 HD11 LEU 66 74.390 -7.041 13.174 481 HD12 LEU 66 HD12 LEU 66 75.483 -7.107 14.551 482 HD13 LEU 66 HD13 LEU 66 75.587 -5.774 13.400 483 HD21 LEU 66 HD21 LEU 66 72.141 -6.238 15.888 484 HD22 LEU 66 HD22 LEU 66 73.185 -7.574 15.425 485 HD23 LEU 66 HD23 LEU 66 72.151 -6.809 14.226 486 H ALA 67 HN ALA 67 75.123 -1.705 17.527 487 HA ALA 67 HA ALA 67 75.960 -2.818 19.979 488 HB1 ALA 67 HB1 ALA 67 76.922 -0.779 18.877 489 HB2 ALA 67 HB2 ALA 67 76.543 -0.563 20.587 490 HB3 ALA 67 HB3 ALA 67 75.465 0.096 19.354 491 H ILE 68 HN ILE 68 73.210 -0.713 19.120 492 HA ILE 68 HA ILE 68 72.246 -0.483 21.738 493 HB ILE 68 HB ILE 68 69.964 -0.017 20.488 494 HG12 ILE 68 HG12 ILE 68 71.773 0.592 18.167 495 HG13 ILE 68 HG11 ILE 68 71.145 -1.037 18.293 496 HG21 ILE 68 HG21 ILE 68 72.482 1.668 20.337 497 HG22 ILE 68 HG22 ILE 68 71.140 1.814 21.479 498 HG23 ILE 68 HG23 ILE 68 70.920 2.275 19.799 499 HD11 ILE 68 HD11 ILE 68 69.350 1.400 18.378 500 HD12 ILE 68 HD12 ILE 68 68.874 -0.287 18.147 501 HD13 ILE 68 HD13 ILE 68 69.762 0.559 16.885 502 H HIS 69 HN HIS 69 70.195 -2.186 19.396 503 HA HIS 69 HA HIS 69 69.112 -3.856 21.429 504 HB2 HIS 69 HB2 HIS 69 67.743 -3.358 19.538 505 HB3 HIS 69 HB1 HIS 69 68.973 -3.940 18.415 506 HD2 HIS 69 HD2 HIS 69 68.694 -6.613 17.765 507 HE1 HIS 69 HE1 HIS 69 66.107 -7.719 20.913 508 HE2 HIS 69 HE2 HIS 69 67.254 -8.530 18.796 509 H HIS 70 HN HIS 70 69.771 -5.760 22.191 510 HA HIS 70 HA HIS 70 72.284 -6.891 21.389 511 HB2 HIS 70 HB2 HIS 70 70.138 -7.922 23.258 512 HB3 HIS 70 HB1 HIS 70 71.743 -8.630 23.077 513 HD2 HIS 70 HD2 HIS 70 70.050 -5.881 25.117 514 HE1 HIS 70 HE1 HIS 70 74.192 -5.116 25.362 515 HE2 HIS 70 HE2 HIS 70 71.918 -4.515 26.319 516 H GLN 71 HN GLN 71 72.698 -8.647 20.137 517 HA GLN 71 HA GLN 71 70.672 -9.564 18.326 518 HB2 GLN 71 HB2 GLN 71 73.278 -9.338 18.005 519 HB3 GLN 71 HB1 GLN 71 73.314 -10.949 18.715 520 HG2 GLN 71 HG2 GLN 71 71.640 -11.661 16.924 521 HG3 GLN 71 HG1 GLN 71 71.904 -10.096 16.161 522 HE21 GLN 71 HE21 GLN 71 72.569 -12.409 14.737 523 HE22 GLN 71 HE22 GLN 71 74.257 -12.527 14.610 524 H HIS 72 HN HIS 72 69.543 -11.459 18.320 525 HA HIS 72 HA HIS 72 69.245 -12.884 20.792 526 HB2 HIS 72 HB2 HIS 72 68.138 -13.381 18.021 527 HB3 HIS 72 HB1 HIS 72 67.692 -14.319 19.446 528 HD2 HIS 72 HD2 HIS 72 66.262 -12.794 21.458 529 HE1 HIS 72 HE1 HIS 72 65.375 -9.587 18.868 530 HE2 HIS 72 HE2 HIS 72 64.858 -10.617 21.128 531 H HIS 73 HN HIS 73 70.063 -14.816 21.405 532 HA HIS 73 HA HIS 73 72.344 -15.872 20.021 533 HB2 HIS 73 HB2 HIS 73 70.787 -16.881 22.411 534 HB3 HIS 73 HB1 HIS 73 72.285 -17.603 21.824 535 HD2 HIS 73 HD2 HIS 73 71.137 -14.551 23.926 536 HE1 HIS 73 HE1 HIS 73 75.308 -14.182 23.361 537 HE2 HIS 73 HE2 HIS 73 73.302 -13.256 24.612 538 H HIS 74 HN HIS 74 72.484 -17.551 18.644 539 HA HIS 74 HA HIS 74 70.150 -18.602 17.413 540 HB2 HIS 74 HB2 HIS 74 73.058 -19.418 17.287 541 HB3 HIS 74 HB1 HIS 74 71.796 -20.189 16.324 542 HD2 HIS 74 HD2 HIS 74 70.792 -18.614 14.195 543 HE1 HIS 74 HE1 HIS 74 73.393 -15.346 14.786 544 HE2 HIS 74 HE2 HIS 74 71.672 -16.356 13.219 545 H GLY 75 HN GLY 75 72.408 -19.869 19.821 546 HA2 GLY 75 HA2 GLY 75 71.389 -22.500 19.951 547 HA3 GLY 75 HA1 GLY 75 72.301 -21.691 21.223 548 H GLY 76 HN GLY 76 70.474 -19.509 21.589 549 HA2 GLY 76 HA2 GLY 76 68.683 -20.684 23.461 550 HA3 GLY 76 HA1 GLY 76 68.710 -18.991 22.979 551 H SER 77 HN SER 77 66.322 -20.276 23.456 552 HA SER 77 HA SER 77 64.953 -19.937 20.926 553 HB2 SER 77 HB2 SER 77 63.851 -22.186 21.055 554 HB3 SER 77 HB1 SER 77 65.563 -22.254 20.646 555 HG SER 77 HG SER 77 65.960 -22.651 22.885 556 H MET 78 HN MET 78 62.598 -20.067 21.185 557 HA MET 78 HA MET 78 61.736 -18.659 23.485 558 HB2 MET 78 HB2 MET 78 60.252 -20.074 21.259 559 HB3 MET 78 HB1 MET 78 59.414 -19.229 22.555 560 HG2 MET 78 HG2 MET 78 60.406 -17.114 21.924 561 HG3 MET 78 HG1 MET 78 61.517 -17.909 20.815 562 HE1 MET 78 HE1 MET 78 57.112 -16.859 20.189 563 HE2 MET 78 HE2 MET 78 58.345 -15.843 20.926 564 HE3 MET 78 HE3 MET 78 57.820 -17.315 21.742 565 H GLY 79 HN GLY 79 61.498 -22.052 22.520 566 HA2 GLY 79 HA2 GLY 79 61.274 -23.951 23.819 567 HA3 GLY 79 HA1 GLY 79 61.295 -22.937 25.256 568 H MET 80 HN MET 80 59.050 -21.601 23.266 569 HA MET 80 HA MET 80 56.842 -22.386 24.861 570 HB2 MET 80 HB2 MET 80 57.081 -20.940 22.218 571 HB3 MET 80 HB1 MET 80 55.517 -21.284 22.949 572 HG2 MET 80 HG2 MET 80 57.663 -19.917 24.568 573 HG3 MET 80 HG1 MET 80 56.687 -18.985 23.443 574 HE1 MET 80 HE1 MET 80 54.579 -17.745 24.352 575 HE2 MET 80 HE2 MET 80 53.252 -18.773 24.877 576 HE3 MET 80 HE3 MET 80 54.079 -19.131 23.368 577 H SER 81 HN SER 81 58.009 -23.428 21.689 578 HA SER 81 HA SER 81 55.801 -25.066 21.019 579 HB2 SER 81 HB2 SER 81 57.443 -24.378 19.347 580 HB3 SER 81 HB1 SER 81 58.704 -25.280 20.183 581 HG SER 81 HG SER 81 56.494 -26.789 19.697 582 H GLY 82 HN GLY 82 55.419 -27.245 21.296 583 HA2 GLY 82 HA2 GLY 82 56.284 -28.441 23.706 584 HA3 GLY 82 HA1 GLY 82 55.402 -29.254 22.416 585 H SER 83 HN SER 83 57.330 -28.798 20.356 586 HA SER 83 HA SER 83 59.108 -31.007 20.860 587 HB2 SER 83 HB2 SER 83 59.808 -30.700 18.565 588 HB3 SER 83 HB1 SER 83 58.055 -30.573 18.651 589 HG SER 83 HG SER 83 58.409 -28.252 18.801 590 H GLY 84 HN GLY 84 59.255 -27.819 21.725 591 HA2 GLY 84 HA2 GLY 84 61.881 -27.033 21.083 592 HA3 GLY 84 HA1 GLY 84 60.945 -26.434 22.451 593 H THR 85 HN THR 85 60.591 -29.071 23.638 594 HA THR 85 HA THR 85 62.910 -29.146 25.264 595 HB THR 85 HB THR 85 60.634 -29.861 26.008 596 HG1 THR 85 HG1 THR 85 62.164 -30.541 27.334 597 HG21 THR 85 HG21 THR 85 61.108 -32.574 24.825 598 HG22 THR 85 HG22 THR 85 60.383 -31.345 23.785 599 HG23 THR 85 HG23 THR 85 59.598 -31.801 25.291 600 H GLY 86 HN GLY 86 64.607 -30.577 25.368 601 HA2 GLY 86 HA2 GLY 86 66.145 -32.138 24.651 602 HA3 GLY 86 HA1 GLY 86 64.871 -32.861 23.675 603 H TYR 87 HN TYR 87 66.645 -33.143 22.105 604 HA TYR 87 HA TYR 87 67.981 -30.992 20.868 605 HB2 TYR 87 HB2 TYR 87 67.205 -33.685 19.728 606 HB3 TYR 87 HB1 TYR 87 68.363 -32.588 19.012 607 HD1 TYR 87 HD2 TYR 87 70.575 -32.161 20.096 608 HD2 TYR 87 HD1 TYR 87 67.749 -34.918 21.835 609 HE1 TYR 87 HE2 TYR 87 72.341 -33.056 21.568 610 HE2 TYR 87 HE1 TYR 87 69.527 -35.803 23.297 611 HH TYR 87 HH TYR 87 72.116 -35.923 23.188 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 31.864 -0.599 32.159 2 H2 MET 1 HT2 MET 1 31.712 1.061 32.487 3 H3 MET 1 HT3 MET 1 32.624 0.067 33.520 4 HA MET 1 HA MET 1 33.327 1.214 30.935 5 HB2 MET 1 HB2 MET 1 34.749 0.512 33.519 6 HB3 MET 1 HB1 MET 1 35.606 1.061 32.083 7 HG2 MET 1 HG2 MET 1 34.500 3.199 32.125 8 HG3 MET 1 HG1 MET 1 33.313 2.631 33.285 9 HE1 MET 1 HE1 MET 1 37.712 3.742 34.124 10 HE2 MET 1 HE2 MET 1 37.000 3.373 32.561 11 HE3 MET 1 HE3 MET 1 37.443 2.064 33.650 12 H GLY 2 HN GLY 2 34.823 0.213 29.535 13 HA2 GLY 2 HA2 GLY 2 35.786 -2.448 29.919 14 HA3 GLY 2 HA1 GLY 2 34.380 -2.432 28.859 15 H ALA 3 HN ALA 3 36.646 -3.341 27.770 16 HA ALA 3 HA ALA 3 37.170 -1.470 25.631 17 HB1 ALA 3 HB1 ALA 3 38.755 -0.571 27.231 18 HB2 ALA 3 HB2 ALA 3 39.640 -1.435 25.978 19 HB3 ALA 3 HB3 ALA 3 39.394 -2.182 27.558 20 HA PRO 4 HA PRO 4 37.523 -6.137 24.765 21 HB2 PRO 4 HB2 PRO 4 36.060 -5.416 22.303 22 HB3 PRO 4 HB1 PRO 4 35.737 -6.714 23.465 23 HG2 PRO 4 HG2 PRO 4 34.206 -4.506 23.249 24 HG3 PRO 4 HG1 PRO 4 34.413 -5.405 24.759 25 HD2 PRO 4 HD2 PRO 4 35.565 -2.779 23.960 26 HD3 PRO 4 HD1 PRO 4 35.143 -3.403 25.570 27 H VAL 5 HN VAL 5 39.014 -7.054 23.391 28 HA VAL 5 HA VAL 5 40.257 -5.467 21.229 29 HB VAL 5 HB VAL 5 42.482 -6.501 22.148 30 HG11 VAL 5 HG11 VAL 5 41.069 -4.112 23.320 31 HG12 VAL 5 HG12 VAL 5 42.335 -4.153 22.096 32 HG13 VAL 5 HG13 VAL 5 42.713 -4.543 23.769 33 HG21 VAL 5 HG21 VAL 5 42.608 -7.015 24.435 34 HG22 VAL 5 HG22 VAL 5 41.100 -7.791 23.962 35 HG23 VAL 5 HG23 VAL 5 41.071 -6.236 24.796 36 HA PRO 6 HA PRO 6 39.111 -9.954 20.064 37 HB2 PRO 6 HB2 PRO 6 38.736 -8.647 17.422 38 HB3 PRO 6 HB1 PRO 6 37.703 -9.818 18.260 39 HG2 PRO 6 HG2 PRO 6 37.072 -7.230 18.051 40 HG3 PRO 6 HG1 PRO 6 36.622 -8.211 19.453 41 HD2 PRO 6 HD2 PRO 6 38.711 -6.107 19.218 42 HD3 PRO 6 HD1 PRO 6 37.758 -6.614 20.625 43 H TYR 7 HN TYR 7 40.881 -7.504 18.229 44 HA TYR 7 HA TYR 7 42.615 -9.430 16.924 45 HB2 TYR 7 HB2 TYR 7 43.519 -6.655 16.837 46 HB3 TYR 7 HB1 TYR 7 43.118 -7.731 15.517 47 HD1 TYR 7 HD2 TYR 7 40.748 -7.914 14.696 48 HD2 TYR 7 HD1 TYR 7 41.831 -5.122 17.800 49 HE1 TYR 7 HE2 TYR 7 38.607 -6.730 14.387 50 HE2 TYR 7 HE1 TYR 7 39.684 -3.952 17.483 51 HH TYR 7 HH TYR 7 37.281 -5.111 15.119 52 HA PRO 8 HA PRO 8 46.024 -9.357 19.844 53 HB2 PRO 8 HB2 PRO 8 47.885 -7.854 18.071 54 HB3 PRO 8 HB1 PRO 8 48.086 -9.436 18.842 55 HG2 PRO 8 HG2 PRO 8 47.641 -9.216 16.267 56 HG3 PRO 8 HG1 PRO 8 46.898 -10.508 17.220 57 HD2 PRO 8 HD2 PRO 8 45.656 -7.976 16.188 58 HD3 PRO 8 HD1 PRO 8 44.992 -9.623 16.246 59 H ASP 9 HN ASP 9 48.060 -7.693 20.471 60 HA ASP 9 HA ASP 9 47.082 -4.944 20.878 61 HB2 ASP 9 HB2 ASP 9 47.501 -6.918 23.119 62 HB3 ASP 9 HB1 ASP 9 47.488 -5.172 23.366 63 HA PRO 10 HA PRO 10 51.758 -5.343 20.674 64 HB2 PRO 10 HB2 PRO 10 52.241 -3.717 18.541 65 HB3 PRO 10 HB1 PRO 10 51.908 -5.449 18.389 66 HG2 PRO 10 HG2 PRO 10 50.204 -3.146 17.756 67 HG3 PRO 10 HG1 PRO 10 50.171 -4.793 17.113 68 HD2 PRO 10 HD2 PRO 10 48.436 -3.688 19.064 69 HD3 PRO 10 HD1 PRO 10 48.530 -5.384 18.558 70 H LEU 11 HN LEU 11 49.496 -2.865 21.024 71 HA LEU 11 HA LEU 11 51.148 -0.580 21.285 72 HB2 LEU 11 HB2 LEU 11 48.468 -1.273 22.507 73 HB3 LEU 11 HB1 LEU 11 49.207 0.308 22.668 74 HG LEU 11 HG LEU 11 48.565 -1.016 19.985 75 HD11 LEU 11 HD11 LEU 11 46.883 0.834 21.676 76 HD12 LEU 11 HD12 LEU 11 46.441 -0.715 20.956 77 HD13 LEU 11 HD13 LEU 11 46.665 0.701 19.933 78 HD21 LEU 11 HD21 LEU 11 49.644 1.703 20.701 79 HD22 LEU 11 HD22 LEU 11 48.479 1.598 19.393 80 HD23 LEU 11 HD23 LEU 11 49.976 0.680 19.305 81 H GLU 12 HN GLU 12 50.046 -3.000 23.598 82 HA GLU 12 HA GLU 12 50.992 -1.756 25.914 83 HB2 GLU 12 HB2 GLU 12 50.129 -4.500 25.207 84 HB3 GLU 12 HB1 GLU 12 51.197 -4.389 26.601 85 HG2 GLU 12 HG2 GLU 12 49.652 -2.892 27.737 86 HG3 GLU 12 HG1 GLU 12 48.650 -2.755 26.282 87 HA PRO 13 HA PRO 13 55.154 -4.180 25.881 88 HB2 PRO 13 HB2 PRO 13 56.007 -5.119 23.405 89 HB3 PRO 13 HB1 PRO 13 55.312 -6.118 24.695 90 HG2 PRO 13 HG2 PRO 13 54.018 -4.987 22.270 91 HG3 PRO 13 HG1 PRO 13 53.790 -6.565 23.045 92 HD2 PRO 13 HD2 PRO 13 51.990 -4.616 23.354 93 HD3 PRO 13 HD1 PRO 13 52.379 -5.716 24.683 94 H ARG 14 HN ARG 14 57.032 -3.061 25.674 95 HA ARG 14 HA ARG 14 56.951 -0.506 24.417 96 HB2 ARG 14 HB2 ARG 14 59.201 -2.056 25.728 97 HB3 ARG 14 HB1 ARG 14 59.351 -0.389 25.185 98 HG2 ARG 14 HG2 ARG 14 57.604 0.341 26.750 99 HG3 ARG 14 HG1 ARG 14 57.279 -1.322 27.223 100 HD2 ARG 14 HD2 ARG 14 59.532 -1.501 28.198 101 HD3 ARG 14 HD1 ARG 14 59.902 0.143 27.678 102 HE ARG 14 HE ARG 14 57.566 0.241 29.223 103 HH11 ARG 14 HH21 ARG 14 60.913 -0.574 29.530 104 HH12 ARG 14 HH22 ARG 14 61.011 -0.126 31.201 105 HH21 ARG 14 HH11 ARG 14 57.679 0.817 31.412 106 HH22 ARG 14 HH12 ARG 14 59.180 0.662 32.264 107 H GLY 15 HN GLY 15 58.076 0.279 22.659 108 HA2 GLY 15 HA2 GLY 15 58.490 -1.522 20.491 109 HA3 GLY 15 HA1 GLY 15 58.865 0.198 20.496 110 H GLY 16 HN GLY 16 60.431 -1.973 19.360 111 HA2 GLY 16 HA2 GLY 16 62.667 -2.572 21.030 112 HA3 GLY 16 HA1 GLY 16 62.597 -2.767 19.280 113 H LYS 17 HN LYS 17 64.874 -1.865 20.605 114 HA LYS 17 HA LYS 17 65.051 1.027 20.495 115 HB2 LYS 17 HB2 LYS 17 67.235 -1.069 20.544 116 HB3 LYS 17 HB1 LYS 17 67.449 0.655 20.814 117 HG2 LYS 17 HG2 LYS 17 66.049 0.574 22.824 118 HG3 LYS 17 HG1 LYS 17 65.706 -1.130 22.556 119 HD2 LYS 17 HD2 LYS 17 68.111 -1.661 22.848 120 HD3 LYS 17 HD1 LYS 17 68.448 0.042 23.141 121 HE2 LYS 17 HE2 LYS 17 66.981 -0.024 25.141 122 HE3 LYS 17 HE1 LYS 17 66.645 -1.729 24.831 123 HZ1 LYS 17 HZ1 LYS 17 69.224 -0.480 25.567 124 HZ2 LYS 17 HZ2 LYS 17 69.126 -2.049 24.920 125 HZ3 LYS 17 HZ3 LYS 17 68.365 -1.685 26.396 126 H HIS 18 HN HIS 18 66.328 -1.651 18.547 127 HA HIS 18 HA HIS 18 67.440 -0.100 16.521 128 HB2 HIS 18 HB2 HIS 18 67.349 -2.760 17.034 129 HB3 HIS 18 HB1 HIS 18 66.257 -2.682 15.678 130 HD2 HIS 18 HD2 HIS 18 67.986 -0.386 13.952 131 HE1 HIS 18 HE1 HIS 18 71.027 -3.291 14.120 132 H ILE 19 HN ILE 19 64.195 -1.625 16.581 133 HA ILE 19 HA ILE 19 63.409 -0.096 14.203 134 HB ILE 19 HB ILE 19 61.810 -2.330 15.470 135 HG12 ILE 19 HG12 ILE 19 62.962 -3.522 13.292 136 HG13 ILE 19 HG11 ILE 19 64.309 -2.552 13.849 137 HG21 ILE 19 HG21 ILE 19 60.914 -2.618 13.201 138 HG22 ILE 19 HG22 ILE 19 61.902 -1.294 12.608 139 HG23 ILE 19 HG23 ILE 19 60.620 -0.990 13.781 140 HD11 ILE 19 HD11 ILE 19 63.877 -3.595 16.187 141 HD12 ILE 19 HD12 ILE 19 64.530 -4.658 14.950 142 HD13 ILE 19 HD13 ILE 19 62.816 -4.728 15.343 143 H CYS 20 HN CYS 20 62.195 1.571 14.381 144 HA CYS 20 HA CYS 20 61.031 2.354 16.924 145 HB2 CYS 20 HB2 CYS 20 61.950 4.112 15.693 146 HB3 CYS 20 HB1 CYS 20 61.239 3.583 14.197 147 H ALA 21 HN ALA 21 58.782 2.542 17.329 148 HA ALA 21 HA ALA 21 57.179 0.482 16.179 149 HB1 ALA 21 HB1 ALA 21 56.363 2.756 17.983 150 HB2 ALA 21 HB2 ALA 21 57.021 1.214 18.533 151 HB3 ALA 21 HB3 ALA 21 55.464 1.265 17.705 152 H ILE 22 HN ILE 22 57.788 3.641 15.193 153 HA ILE 22 HA ILE 22 55.294 3.866 13.631 154 HB ILE 22 HB ILE 22 57.063 6.022 14.824 155 HG12 ILE 22 HG12 ILE 22 54.082 5.853 15.198 156 HG13 ILE 22 HG11 ILE 22 55.072 4.741 16.116 157 HG21 ILE 22 HG21 ILE 22 55.076 7.518 13.861 158 HG22 ILE 22 HG22 ILE 22 54.922 6.228 12.686 159 HG23 ILE 22 HG23 ILE 22 56.432 7.118 12.832 160 HD11 ILE 22 HD11 ILE 22 54.506 6.934 17.274 161 HD12 ILE 22 HD12 ILE 22 55.569 7.729 16.118 162 HD13 ILE 22 HD13 ILE 22 56.218 6.524 17.235 163 H CYS 23 HN CYS 23 58.404 5.546 13.385 164 HA CYS 23 HA CYS 23 58.360 5.629 10.570 165 HB2 CYS 23 HB2 CYS 23 60.926 5.914 12.046 166 HB3 CYS 23 HB1 CYS 23 60.262 6.915 10.763 167 H GLY 24 HN GLY 24 59.731 3.416 12.848 168 HA2 GLY 24 HA2 GLY 24 60.350 1.196 12.414 169 HA3 GLY 24 HA1 GLY 24 60.438 1.534 10.714 170 H ASN 25 HN ASN 25 62.031 4.022 11.520 171 HA ASN 25 HA ASN 25 64.646 2.772 12.226 172 HB2 ASN 25 HB2 ASN 25 64.168 4.290 9.651 173 HB3 ASN 25 HB1 ASN 25 65.740 3.715 10.194 174 HD21 ASN 25 HD21 ASN 25 63.415 2.906 8.036 175 HD22 ASN 25 HD22 ASN 25 63.574 1.217 8.058 176 H ASN 26 HN ASN 26 62.895 5.178 13.336 177 HA ASN 26 HA ASN 26 64.982 7.285 13.242 178 HB2 ASN 26 HB2 ASN 26 62.170 7.217 13.824 179 HB3 ASN 26 HB1 ASN 26 63.061 8.154 14.986 180 HD21 ASN 26 HD21 ASN 26 63.261 7.685 11.395 181 HD22 ASN 26 HD22 ASN 26 63.357 9.343 11.048 182 H ALA 27 HN ALA 27 63.622 5.028 15.509 183 HA ALA 27 HA ALA 27 64.572 6.020 17.906 184 HB1 ALA 27 HB1 ALA 27 64.608 3.601 18.665 185 HB2 ALA 27 HB2 ALA 27 64.164 3.163 17.010 186 HB3 ALA 27 HB3 ALA 27 63.089 4.170 17.987 187 H GLU 28 HN GLU 28 66.305 4.349 15.380 188 HA GLU 28 HA GLU 28 68.678 3.836 16.844 189 HB2 GLU 28 HB2 GLU 28 68.160 2.541 14.889 190 HB3 GLU 28 HB1 GLU 28 67.970 3.982 13.903 191 HG2 GLU 28 HG2 GLU 28 70.287 4.367 13.797 192 HG3 GLU 28 HG1 GLU 28 70.620 3.355 15.202 193 H ASP 29 HN ASP 29 67.474 6.500 14.860 194 HA ASP 29 HA ASP 29 69.865 8.165 15.459 195 HB2 ASP 29 HB2 ASP 29 67.981 8.404 13.109 196 HB3 ASP 29 HB1 ASP 29 69.487 9.293 13.361 197 H TYR 30 HN TYR 30 68.012 10.366 14.126 198 HA TYR 30 HA TYR 30 67.206 11.569 16.593 199 HB2 TYR 30 HB2 TYR 30 66.568 12.374 13.744 200 HB3 TYR 30 HB1 TYR 30 66.397 13.386 15.164 201 HD1 TYR 30 HD2 TYR 30 68.401 14.254 16.388 202 HD2 TYR 30 HD1 TYR 30 68.828 11.814 12.860 203 HE1 TYR 30 HE2 TYR 30 70.780 14.891 16.221 204 HE2 TYR 30 HE1 TYR 30 71.200 12.453 12.709 205 HH TYR 30 HH TYR 30 72.666 14.698 15.071 206 H LYS 31 HN LYS 31 64.871 12.626 16.570 207 HA LYS 31 HA LYS 31 62.829 10.586 15.901 208 HB2 LYS 31 HB2 LYS 31 63.076 12.202 18.455 209 HB3 LYS 31 HB1 LYS 31 61.709 11.168 18.062 210 HG2 LYS 31 HG2 LYS 31 63.214 9.185 18.004 211 HG3 LYS 31 HG1 LYS 31 64.581 10.217 18.411 212 HD2 LYS 31 HD2 LYS 31 63.506 10.800 20.575 213 HD3 LYS 31 HD1 LYS 31 62.128 9.783 20.172 214 HE2 LYS 31 HE2 LYS 31 63.611 7.795 20.127 215 HE3 LYS 31 HE1 LYS 31 64.988 8.818 20.537 216 HZ1 LYS 31 HZ1 LYS 31 62.647 9.019 22.250 217 HZ2 LYS 31 HZ2 LYS 31 64.298 9.067 22.648 218 HZ3 LYS 31 HZ3 LYS 31 63.536 7.579 22.348 219 H HIS 32 HN HIS 32 63.452 12.710 14.229 220 HA HIS 32 HA HIS 32 61.525 14.849 14.685 221 HB2 HIS 32 HB2 HIS 32 63.380 14.234 12.392 222 HB3 HIS 32 HB1 HIS 32 62.277 15.607 12.419 223 HD2 HIS 32 HD2 HIS 32 65.858 15.106 13.209 224 HE1 HIS 32 HE1 HIS 32 64.607 17.951 16.067 225 HE2 HIS 32 HE2 HIS 32 66.629 16.876 14.973 226 H THR 33 HN THR 33 61.757 11.951 12.684 227 HA THR 33 HA THR 33 59.384 12.625 11.141 228 HB THR 33 HB THR 33 59.760 10.600 9.967 229 HG1 THR 33 HG1 THR 33 60.921 9.888 12.363 230 HG21 THR 33 HG21 THR 33 62.580 11.313 10.766 231 HG22 THR 33 HG22 THR 33 61.603 12.448 9.834 232 HG23 THR 33 HG23 THR 33 61.965 10.854 9.182 233 H ASP 34 HN ASP 34 59.844 11.535 14.252 234 HA ASP 34 HA ASP 34 57.809 9.541 14.452 235 HB2 ASP 34 HB2 ASP 34 59.238 11.291 16.421 236 HB3 ASP 34 HB1 ASP 34 57.818 10.393 16.938 237 H MET 35 HN MET 35 57.624 12.846 13.842 238 HA MET 35 HA MET 35 55.183 13.457 15.213 239 HB2 MET 35 HB2 MET 35 56.586 14.736 12.854 240 HB3 MET 35 HB1 MET 35 55.076 15.355 13.510 241 HG2 MET 35 HG2 MET 35 57.454 14.908 15.315 242 HG3 MET 35 HG1 MET 35 57.326 16.377 14.361 243 HE1 MET 35 HE1 MET 35 55.173 17.855 14.315 244 HE2 MET 35 HE2 MET 35 56.317 18.502 15.490 245 HE3 MET 35 HE3 MET 35 54.605 18.433 15.885 246 H ASP 36 HN ASP 36 53.092 13.763 14.233 247 HA ASP 36 HA ASP 36 52.333 11.567 12.540 248 HB2 ASP 36 HB2 ASP 36 50.749 13.964 13.518 249 HB3 ASP 36 HB1 ASP 36 50.063 12.546 12.733 250 H LEU 37 HN LEU 37 53.480 11.876 10.616 251 HA LEU 37 HA LEU 37 53.204 14.259 9.016 252 HB2 LEU 37 HB2 LEU 37 54.226 11.478 8.389 253 HB3 LEU 37 HB1 LEU 37 54.265 12.793 7.234 254 HG LEU 37 HG LEU 37 55.619 12.881 9.977 255 HD11 LEU 37 HD11 LEU 37 56.724 12.026 7.301 256 HD12 LEU 37 HD12 LEU 37 56.778 11.169 8.840 257 HD13 LEU 37 HD13 LEU 37 57.756 12.613 8.601 258 HD21 LEU 37 HD21 LEU 37 55.578 14.822 7.676 259 HD22 LEU 37 HD22 LEU 37 57.087 14.601 8.542 260 HD23 LEU 37 HD23 LEU 37 55.650 15.119 9.410 261 H THR 38 HN THR 38 51.889 14.610 7.265 262 HA THR 38 HA THR 38 49.374 13.303 7.220 263 HB THR 38 HB THR 38 49.133 14.574 5.000 264 HG1 THR 38 HG1 THR 38 51.663 14.653 5.135 265 HG21 THR 38 HG21 THR 38 49.270 16.835 6.259 266 HG22 THR 38 HG22 THR 38 49.729 15.869 7.658 267 HG23 THR 38 HG23 THR 38 48.166 15.611 6.881 268 H TYR 39 HN TYR 39 52.201 13.098 5.076 269 HA TYR 39 HA TYR 39 50.998 11.082 3.370 270 HB2 TYR 39 HB2 TYR 39 53.779 12.246 3.547 271 HB3 TYR 39 HB1 TYR 39 53.316 11.023 2.381 272 HD1 TYR 39 HD2 TYR 39 51.548 11.501 0.646 273 HD2 TYR 39 HD1 TYR 39 53.000 14.593 3.280 274 HE1 TYR 39 HE2 TYR 39 50.584 13.224 -0.824 275 HE2 TYR 39 HE1 TYR 39 52.025 16.300 1.801 276 HH TYR 39 HH TYR 39 49.873 15.490 -0.789 277 H THR 40 HN THR 40 51.191 8.925 3.539 278 HA THR 40 HA THR 40 52.174 7.726 5.917 279 HB THR 40 HB THR 40 51.885 5.573 4.542 280 HG1 THR 40 HG1 THR 40 51.494 5.809 2.510 281 HG21 THR 40 HG21 THR 40 49.331 5.986 4.392 282 HG22 THR 40 HG22 THR 40 49.689 7.574 5.067 283 HG23 THR 40 HG23 THR 40 50.096 6.118 5.975 284 H ASP 41 HN ASP 41 53.383 7.709 2.576 285 HA ASP 41 HA ASP 41 55.933 6.504 3.366 286 HB2 ASP 41 HB2 ASP 41 54.694 5.815 1.295 287 HB3 ASP 41 HB1 ASP 41 55.034 7.407 0.622 288 H ARG 42 HN ARG 42 57.365 7.861 4.265 289 HA ARG 42 HA ARG 42 57.409 10.661 3.859 290 HB2 ARG 42 HB2 ARG 42 58.386 9.322 5.814 291 HB3 ARG 42 HB1 ARG 42 59.747 8.955 4.764 292 HG2 ARG 42 HG2 ARG 42 60.161 11.442 4.511 293 HG3 ARG 42 HG1 ARG 42 58.865 11.742 5.659 294 HD2 ARG 42 HD2 ARG 42 60.120 10.395 7.359 295 HD3 ARG 42 HD1 ARG 42 61.456 10.253 6.228 296 HE ARG 42 HE ARG 42 60.746 12.558 7.809 297 HH11 ARG 42 HH21 ARG 42 62.251 11.523 4.876 298 HH12 ARG 42 HH22 ARG 42 63.209 12.957 4.715 299 HH21 ARG 42 HH11 ARG 42 61.971 14.429 7.595 300 HH22 ARG 42 HH12 ARG 42 63.051 14.601 6.250 301 H ASP 43 HN ASP 43 59.342 8.003 2.516 302 HA ASP 43 HA ASP 43 59.853 9.475 0.066 303 HB2 ASP 43 HB2 ASP 43 62.283 9.412 0.223 304 HB3 ASP 43 HB1 ASP 43 61.637 10.339 1.575 305 H TYR 44 HN TYR 44 61.279 8.142 -1.411 306 HA TYR 44 HA TYR 44 60.205 5.493 -1.573 307 HB2 TYR 44 HB2 TYR 44 60.799 6.992 -3.522 308 HB3 TYR 44 HB1 TYR 44 62.484 6.673 -3.168 309 HD1 TYR 44 HD2 TYR 44 59.248 5.063 -4.107 310 HD2 TYR 44 HD1 TYR 44 63.518 4.528 -3.818 311 HE1 TYR 44 HE2 TYR 44 59.078 2.942 -5.368 312 HE2 TYR 44 HE1 TYR 44 63.332 2.420 -5.074 313 HH TYR 44 HH TYR 44 60.700 1.552 -6.857 314 H LYS 45 HN LYS 45 61.043 3.616 -0.886 315 HA LYS 45 HA LYS 45 63.335 3.584 0.831 316 HB2 LYS 45 HB2 LYS 45 61.701 1.337 -0.387 317 HB3 LYS 45 HB1 LYS 45 62.965 1.097 0.815 318 HG2 LYS 45 HG2 LYS 45 61.713 2.473 2.448 319 HG3 LYS 45 HG1 LYS 45 60.469 2.797 1.243 320 HD2 LYS 45 HD2 LYS 45 59.906 0.374 1.170 321 HD3 LYS 45 HD1 LYS 45 61.170 0.040 2.349 322 HE2 LYS 45 HE2 LYS 45 59.976 1.418 4.024 323 HE3 LYS 45 HE1 LYS 45 58.719 1.776 2.838 324 HZ1 LYS 45 HZ1 LYS 45 58.777 -0.350 4.541 325 HZ2 LYS 45 HZ2 LYS 45 59.240 -1.019 3.048 326 HZ3 LYS 45 HZ3 LYS 45 57.770 -0.176 3.186 327 H ASN 46 HN ASN 46 65.397 3.022 0.431 328 HA ASN 46 HA ASN 46 66.332 2.964 -2.281 329 HB2 ASN 46 HB2 ASN 46 67.749 2.475 0.348 330 HB3 ASN 46 HB1 ASN 46 68.558 2.581 -1.212 331 HD21 ASN 46 HD21 ASN 46 68.082 4.416 1.438 332 HD22 ASN 46 HD22 ASN 46 67.967 5.956 0.736 333 H CYS 47 HN CYS 47 67.482 1.276 -3.313 334 HA CYS 47 HA CYS 47 66.297 -1.300 -3.021 335 HB2 CYS 47 HB2 CYS 47 68.843 -0.845 -4.540 336 HB3 CYS 47 HB1 CYS 47 67.481 -1.893 -4.936 337 HG CYS 47 HG CYS 47 67.759 0.880 -5.937 338 H GLU 48 HN GLU 48 67.620 -3.315 -2.811 339 HA GLU 48 HA GLU 48 68.950 -3.368 -0.311 340 HB2 GLU 48 HB2 GLU 48 68.853 -5.393 -2.567 341 HB3 GLU 48 HB1 GLU 48 69.569 -5.723 -0.991 342 HG2 GLU 48 HG2 GLU 48 67.400 -5.356 0.112 343 HG3 GLU 48 HG1 GLU 48 66.671 -4.893 -1.423 344 H SER 49 HN SER 49 70.674 -1.929 -0.327 345 HA SER 49 HA SER 49 72.691 -1.820 -2.295 346 HB2 SER 49 HB2 SER 49 72.930 -1.141 0.642 347 HB3 SER 49 HB1 SER 49 73.978 -0.575 -0.653 348 HG SER 49 HG SER 49 72.074 0.377 -1.588 349 H TYR 50 HN TYR 50 72.382 -3.676 0.692 350 HA TYR 50 HA TYR 50 74.381 -5.622 -0.219 351 HB2 TYR 50 HB2 TYR 50 74.619 -4.088 2.376 352 HB3 TYR 50 HB1 TYR 50 75.502 -5.557 2.027 353 HD1 TYR 50 HD1 TYR 50 77.130 -5.636 0.084 354 HD2 TYR 50 HD2 TYR 50 75.330 -1.933 1.381 355 HE1 TYR 50 HE1 TYR 50 78.848 -4.358 -1.137 356 HE2 TYR 50 HE2 TYR 50 77.053 -0.677 0.147 357 HH TYR 50 HH TYR 50 79.074 -0.844 -0.886 358 H HIS 51 HN HIS 51 74.274 -7.605 0.850 359 HA HIS 51 HA HIS 51 71.659 -8.238 2.052 360 HB2 HIS 51 HB2 HIS 51 73.871 -9.934 0.885 361 HB3 HIS 51 HB1 HIS 51 72.442 -10.602 1.673 362 HD2 HIS 51 HD2 HIS 51 70.045 -10.384 0.179 363 HE1 HIS 51 HE1 HIS 51 71.794 -8.644 -3.248 364 HE2 HIS 51 HE2 HIS 51 69.673 -9.677 -2.304 365 H LYS 52 HN LYS 52 74.669 -7.338 3.055 366 HA LYS 52 HA LYS 52 75.331 -9.162 5.093 367 HB2 LYS 52 HB2 LYS 52 75.847 -6.184 4.877 368 HB3 LYS 52 HB1 LYS 52 76.583 -7.225 6.090 369 HG2 LYS 52 HG2 LYS 52 77.670 -8.568 4.317 370 HG3 LYS 52 HG1 LYS 52 76.893 -7.582 3.081 371 HD2 LYS 52 HD2 LYS 52 78.134 -5.583 3.894 372 HD3 LYS 52 HD1 LYS 52 78.895 -6.562 5.144 373 HE2 LYS 52 HE2 LYS 52 79.985 -7.940 3.399 374 HE3 LYS 52 HE1 LYS 52 79.208 -6.967 2.147 375 HZ1 LYS 52 HZ1 LYS 52 81.194 -6.077 4.155 376 HZ2 LYS 52 HZ2 LYS 52 80.304 -5.005 3.181 377 HZ3 LYS 52 HZ3 LYS 52 81.371 -6.119 2.469 378 H CYS 53 HN CYS 53 73.133 -6.401 5.053 379 HA CYS 53 HA CYS 53 72.446 -6.749 7.909 380 HB2 CYS 53 HB2 CYS 53 72.924 -4.488 7.308 381 HB3 CYS 53 HB1 CYS 53 71.929 -4.602 5.859 382 HG CYS 53 HG CYS 53 70.804 -4.424 8.763 383 H SER 54 HN SER 54 70.305 -7.105 8.538 384 HA SER 54 HA SER 54 68.738 -8.820 6.933 385 HB2 SER 54 HB2 SER 54 67.755 -7.253 9.313 386 HB3 SER 54 HB1 SER 54 67.167 -8.806 8.724 387 HG SER 54 HG SER 54 69.340 -8.199 10.288 388 H ASP 55 HN ASP 55 69.134 -5.597 6.418 389 HA ASP 55 HA ASP 55 68.167 -4.083 5.056 390 HB2 ASP 55 HB2 ASP 55 67.331 -6.326 3.909 391 HB3 ASP 55 HB1 ASP 55 65.771 -5.764 4.506 392 H LEU 56 HN LEU 56 66.677 -5.260 7.830 393 HA LEU 56 HA LEU 56 64.291 -3.718 7.820 394 HB2 LEU 56 HB2 LEU 56 65.985 -4.614 10.176 395 HB3 LEU 56 HB1 LEU 56 64.329 -4.048 10.282 396 HG LEU 56 HG LEU 56 65.268 -6.566 8.814 397 HD11 LEU 56 HD11 LEU 56 65.437 -6.938 11.187 398 HD12 LEU 56 HD12 LEU 56 64.016 -7.788 10.592 399 HD13 LEU 56 HD13 LEU 56 63.828 -6.271 11.462 400 HD21 LEU 56 HD21 LEU 56 62.669 -7.048 9.035 401 HD22 LEU 56 HD22 LEU 56 63.300 -6.139 7.668 402 HD23 LEU 56 HD23 LEU 56 62.547 -5.293 9.016 403 H CYS 57 HN CYS 57 67.519 -3.144 9.250 404 HA CYS 57 HA CYS 57 66.902 -0.327 9.738 405 HB2 CYS 57 HB2 CYS 57 67.879 -1.386 11.539 406 HB3 CYS 57 HB1 CYS 57 69.035 -2.263 10.579 407 H GLN 58 HN GLN 58 67.634 1.249 8.432 408 HA GLN 58 HA GLN 58 68.854 0.553 5.933 409 HB2 GLN 58 HB2 GLN 58 68.504 2.835 5.311 410 HB3 GLN 58 HB1 GLN 58 67.089 2.281 6.196 411 HG2 GLN 58 HG2 GLN 58 68.329 3.330 8.284 412 HG3 GLN 58 HG1 GLN 58 69.224 4.230 7.062 413 HE21 GLN 58 HE21 GLN 58 67.171 5.216 9.039 414 HE22 GLN 58 HE22 GLN 58 65.985 5.975 8.091 415 H TYR 59 HN TYR 59 70.031 2.183 8.840 416 HA TYR 59 HA TYR 59 72.495 3.052 7.635 417 HB2 TYR 59 HB2 TYR 59 71.109 3.672 9.944 418 HB3 TYR 59 HB1 TYR 59 72.542 2.852 10.526 419 HD1 TYR 59 HD1 TYR 59 74.833 3.695 9.957 420 HD2 TYR 59 HD2 TYR 59 71.300 5.841 8.743 421 HE1 TYR 59 HE1 TYR 59 76.206 5.680 9.447 422 HE2 TYR 59 HE2 TYR 59 72.683 7.820 8.238 423 HH TYR 59 HH TYR 59 75.920 8.117 9.249 424 H CYS 60 HN CYS 60 71.441 0.135 9.192 425 HA CYS 60 HA CYS 60 73.959 -0.797 10.048 426 HB2 CYS 60 HB2 CYS 60 71.308 -1.971 9.509 427 HB3 CYS 60 HB1 CYS 60 72.661 -3.070 9.594 428 H ARG 61 HN ARG 61 72.502 -0.530 6.952 429 HA ARG 61 HA ARG 61 73.650 -2.680 5.556 430 HB2 ARG 61 HB2 ARG 61 72.953 0.119 4.637 431 HB3 ARG 61 HB1 ARG 61 73.429 -1.175 3.545 432 HG2 ARG 61 HG2 ARG 61 71.497 -2.521 4.177 433 HG3 ARG 61 HG1 ARG 61 71.066 -1.382 5.447 434 HD2 ARG 61 HD2 ARG 61 70.536 0.328 3.794 435 HD3 ARG 61 HD1 ARG 61 71.107 -0.704 2.488 436 HE ARG 61 HE ARG 61 69.134 -2.123 3.863 437 HH11 ARG 61 HH21 ARG 61 69.456 0.796 2.044 438 HH12 ARG 61 HH22 ARG 61 67.849 0.735 1.400 439 HH21 ARG 61 HH11 ARG 61 67.039 -2.225 3.009 440 HH22 ARG 61 HH12 ARG 61 66.480 -0.983 1.943 441 H TYR 62 HN TYR 62 74.983 0.482 6.381 442 HA TYR 62 HA TYR 62 77.487 -0.055 4.945 443 HB2 TYR 62 HB2 TYR 62 76.506 2.367 6.449 444 HB3 TYR 62 HB1 TYR 62 78.029 2.262 5.588 445 HD1 TYR 62 HD1 TYR 62 78.072 1.961 3.086 446 HD2 TYR 62 HD2 TYR 62 74.369 2.605 5.208 447 HE1 TYR 62 HE1 TYR 62 76.935 2.499 0.963 448 HE2 TYR 62 HE2 TYR 62 73.257 3.154 3.084 449 HH TYR 62 HH TYR 62 73.440 3.189 0.864 450 H GLN 63 HN GLN 63 76.398 0.825 8.221 451 HA GLN 63 HA GLN 63 78.707 -0.591 9.430 452 HB2 GLN 63 HB2 GLN 63 77.864 2.265 9.987 453 HB3 GLN 63 HB1 GLN 63 78.898 1.337 11.065 454 HG2 GLN 63 HG2 GLN 63 80.606 1.143 9.282 455 HG3 GLN 63 HG1 GLN 63 79.560 2.024 8.174 456 HE21 GLN 63 HE21 GLN 63 81.782 3.373 8.332 457 HE22 GLN 63 HE22 GLN 63 81.740 4.646 9.454 458 H LYS 64 HN LYS 64 77.789 -2.097 10.627 459 HA LYS 64 HA LYS 64 75.247 -2.320 11.622 460 HB2 LYS 64 HB2 LYS 64 77.737 -3.288 13.019 461 HB3 LYS 64 HB1 LYS 64 76.125 -3.924 13.252 462 HG2 LYS 64 HG2 LYS 64 77.780 -4.098 10.693 463 HG3 LYS 64 HG1 LYS 64 77.487 -5.405 11.819 464 HD2 LYS 64 HD2 LYS 64 74.945 -5.022 11.268 465 HD3 LYS 64 HD1 LYS 64 75.551 -4.134 9.874 466 HE2 LYS 64 HE2 LYS 64 76.990 -6.218 9.381 467 HE3 LYS 64 HE1 LYS 64 75.933 -7.054 10.520 468 HZ1 LYS 64 HZ1 LYS 64 74.197 -6.956 9.123 469 HZ2 LYS 64 HZ2 LYS 64 75.400 -6.804 7.932 470 HZ3 LYS 64 HZ3 LYS 64 74.606 -5.423 8.524 471 H ASP 65 HN ASP 65 74.103 -1.867 13.362 472 HA ASP 65 HA ASP 65 75.186 0.017 15.400 473 HB2 ASP 65 HB2 ASP 65 72.308 0.072 14.712 474 HB3 ASP 65 HB1 ASP 65 73.344 1.368 15.241 475 H LEU 66 HN LEU 66 74.677 -3.039 15.262 476 HA LEU 66 HA LEU 66 72.499 -3.658 16.938 477 HB2 LEU 66 HB2 LEU 66 75.063 -5.158 16.365 478 HB3 LEU 66 HB1 LEU 66 73.758 -5.863 17.296 479 HG LEU 66 HG LEU 66 73.129 -4.765 14.554 480 HD11 LEU 66 HD11 LEU 66 74.994 -6.146 13.978 481 HD12 LEU 66 HD12 LEU 66 73.567 -7.132 13.698 482 HD13 LEU 66 HD13 LEU 66 74.531 -7.382 15.150 483 HD21 LEU 66 HD21 LEU 66 71.378 -5.768 16.223 484 HD22 LEU 66 HD22 LEU 66 72.125 -7.311 15.842 485 HD23 LEU 66 HD23 LEU 66 71.370 -6.363 14.569 486 H ALA 67 HN ALA 67 74.946 -1.748 17.929 487 HA ALA 67 HA ALA 67 75.810 -2.906 20.350 488 HB1 ALA 67 HB1 ALA 67 76.849 -0.894 20.744 489 HB2 ALA 67 HB2 ALA 67 75.489 0.051 20.133 490 HB3 ALA 67 HB3 ALA 67 76.590 -0.743 19.006 491 H ILE 68 HN ILE 68 73.077 -0.793 19.518 492 HA ILE 68 HA ILE 68 72.201 -0.528 22.215 493 HB ILE 68 HB ILE 68 69.987 0.204 20.994 494 HG12 ILE 68 HG12 ILE 68 71.869 0.850 18.733 495 HG13 ILE 68 HG11 ILE 68 71.095 -0.723 18.721 496 HG21 ILE 68 HG21 ILE 68 71.277 1.849 22.145 497 HG22 ILE 68 HG22 ILE 68 71.127 2.465 20.507 498 HG23 ILE 68 HG23 ILE 68 72.625 1.695 21.011 499 HD11 ILE 68 HD11 ILE 68 68.896 0.242 18.651 500 HD12 ILE 68 HD12 ILE 68 69.855 1.104 17.454 501 HD13 ILE 68 HD13 ILE 68 69.518 1.853 19.011 502 H HIS 69 HN HIS 69 70.413 -2.204 19.591 503 HA HIS 69 HA HIS 69 68.917 -3.764 21.503 504 HB2 HIS 69 HB2 HIS 69 67.812 -3.380 19.477 505 HB3 HIS 69 HB1 HIS 69 69.201 -3.882 18.513 506 HD2 HIS 69 HD2 HIS 69 69.170 -6.581 17.850 507 HE1 HIS 69 HE1 HIS 69 66.135 -7.789 20.525 508 HE2 HIS 69 HE2 HIS 69 67.643 -8.550 18.628 509 H HIS 70 HN HIS 70 69.716 -5.381 22.634 510 HA HIS 70 HA HIS 70 72.153 -6.766 21.900 511 HB2 HIS 70 HB2 HIS 70 70.203 -7.163 24.181 512 HB3 HIS 70 HB1 HIS 70 71.734 -8.020 24.005 513 HD2 HIS 70 HD2 HIS 70 70.435 -4.611 25.277 514 HE1 HIS 70 HE1 HIS 70 74.648 -4.371 25.233 515 HE2 HIS 70 HE2 HIS 70 72.519 -3.219 25.998 516 H GLN 71 HN GLN 71 72.343 -8.752 21.013 517 HA GLN 71 HA GLN 71 70.061 -9.972 19.763 518 HB2 GLN 71 HB2 GLN 71 72.942 -10.878 20.060 519 HB3 GLN 71 HB1 GLN 71 71.734 -11.752 19.120 520 HG2 GLN 71 HG2 GLN 71 71.448 -9.828 17.624 521 HG3 GLN 71 HG1 GLN 71 72.545 -8.865 18.611 522 HE21 GLN 71 HE21 GLN 71 73.585 -8.797 16.283 523 HE22 GLN 71 HE22 GLN 71 74.739 -10.000 15.963 524 H HIS 72 HN HIS 72 68.779 -11.533 20.497 525 HA HIS 72 HA HIS 72 68.999 -12.463 23.202 526 HB2 HIS 72 HB2 HIS 72 67.116 -12.991 20.921 527 HB3 HIS 72 HB1 HIS 72 67.043 -13.967 22.389 528 HD2 HIS 72 HD2 HIS 72 65.833 -12.709 24.561 529 HE1 HIS 72 HE1 HIS 72 65.416 -8.893 22.816 530 HE2 HIS 72 HE2 HIS 72 64.842 -10.311 24.841 531 H HIS 73 HN HIS 73 69.582 -14.453 23.967 532 HA HIS 73 HA HIS 73 71.463 -15.967 22.481 533 HB2 HIS 73 HB2 HIS 73 69.988 -16.555 25.056 534 HB3 HIS 73 HB1 HIS 73 71.267 -17.580 24.403 535 HD2 HIS 73 HD2 HIS 73 73.880 -16.544 24.706 536 HE1 HIS 73 HE1 HIS 73 72.755 -12.970 26.654 537 HE2 HIS 73 HE2 HIS 73 74.721 -14.429 25.987 538 H HIS 74 HN HIS 74 68.046 -16.464 23.267 539 HA HIS 74 HA HIS 74 67.832 -19.078 22.185 540 HB2 HIS 74 HB2 HIS 74 65.750 -16.921 22.604 541 HB3 HIS 74 HB1 HIS 74 65.382 -18.586 22.150 542 HD2 HIS 74 HD2 HIS 74 66.261 -16.550 25.321 543 HE1 HIS 74 HE1 HIS 74 66.278 -20.619 26.427 544 HE2 HIS 74 HE2 HIS 74 66.362 -18.241 27.308 545 H GLY 75 HN GLY 75 67.335 -15.849 20.818 546 HA2 GLY 75 HA2 GLY 75 67.223 -15.116 18.641 547 HA3 GLY 75 HA1 GLY 75 68.024 -16.620 18.191 548 H GLY 76 HN GLY 76 66.872 -17.444 16.550 549 HA2 GLY 76 HA2 GLY 76 64.070 -17.097 16.205 550 HA3 GLY 76 HA1 GLY 76 65.092 -18.210 15.305 551 H SER 77 HN SER 77 62.397 -18.637 16.365 552 HA SER 77 HA SER 77 62.477 -20.281 18.680 553 HB2 SER 77 HB2 SER 77 60.386 -19.292 17.937 554 HB3 SER 77 HB1 SER 77 60.487 -20.151 16.403 555 HG SER 77 HG SER 77 60.317 -21.324 18.988 556 H MET 78 HN MET 78 62.554 -22.509 18.895 557 HA MET 78 HA MET 78 64.165 -23.930 17.053 558 HB2 MET 78 HB2 MET 78 62.464 -24.793 19.401 559 HB3 MET 78 HB1 MET 78 63.381 -25.948 18.441 560 HG2 MET 78 HG2 MET 78 65.475 -24.912 19.038 561 HG3 MET 78 HG1 MET 78 64.651 -23.516 19.727 562 HE1 MET 78 HE1 MET 78 65.340 -27.639 21.588 563 HE2 MET 78 HE2 MET 78 66.491 -26.700 20.644 564 HE3 MET 78 HE3 MET 78 65.052 -27.358 19.867 565 H GLY 79 HN GLY 79 60.674 -23.877 17.633 566 HA2 GLY 79 HA2 GLY 79 60.047 -24.583 14.957 567 HA3 GLY 79 HA1 GLY 79 59.890 -25.995 16.000 568 H MET 80 HN MET 80 57.631 -25.298 14.838 569 HA MET 80 HA MET 80 56.080 -23.292 16.101 570 HB2 MET 80 HB2 MET 80 55.355 -25.794 14.560 571 HB3 MET 80 HB1 MET 80 54.131 -24.703 15.203 572 HG2 MET 80 HG2 MET 80 54.927 -22.873 13.847 573 HG3 MET 80 HG1 MET 80 56.370 -23.779 13.378 574 HE1 MET 80 HE1 MET 80 56.133 -23.751 10.754 575 HE2 MET 80 HE2 MET 80 55.049 -22.453 11.252 576 HE3 MET 80 HE3 MET 80 54.528 -23.605 10.025 577 H SER 81 HN SER 81 56.552 -26.735 16.761 578 HA SER 81 HA SER 81 54.620 -26.870 18.877 579 HB2 SER 81 HB2 SER 81 55.791 -29.045 19.383 580 HB3 SER 81 HB1 SER 81 55.181 -28.900 17.738 581 HG SER 81 HG SER 81 57.155 -29.092 17.073 582 H GLY 82 HN GLY 82 55.214 -27.425 21.126 583 HA2 GLY 82 HA2 GLY 82 57.786 -26.726 22.177 584 HA3 GLY 82 HA1 GLY 82 56.609 -25.442 22.435 585 H SER 83 HN SER 83 57.695 -26.588 24.619 586 HA SER 83 HA SER 83 55.400 -27.720 25.966 587 HB2 SER 83 HB2 SER 83 57.842 -29.383 25.388 588 HB3 SER 83 HB1 SER 83 56.845 -29.687 26.808 589 HG SER 83 HG SER 83 55.042 -29.681 25.220 590 H GLY 84 HN GLY 84 55.738 -27.900 28.279 591 HA2 GLY 84 HA2 GLY 84 57.154 -25.698 29.349 592 HA3 GLY 84 HA1 GLY 84 56.424 -26.999 30.284 593 H THR 85 HN THR 85 57.930 -29.122 29.054 594 HA THR 85 HA THR 85 60.293 -29.027 30.689 595 HB THR 85 HB THR 85 60.738 -31.266 29.517 596 HG1 THR 85 HG1 THR 85 59.598 -31.232 27.716 597 HG21 THR 85 HG21 THR 85 58.643 -32.304 30.644 598 HG22 THR 85 HG22 THR 85 58.277 -30.657 31.152 599 HG23 THR 85 HG23 THR 85 59.782 -31.424 31.660 600 H GLY 86 HN GLY 86 62.461 -29.567 29.802 601 HA2 GLY 86 HA2 GLY 86 64.240 -29.230 28.370 602 HA3 GLY 86 HA1 GLY 86 63.088 -28.984 27.061 603 H TYR 87 HN TYR 87 64.943 -27.334 26.670 604 HA TYR 87 HA TYR 87 65.035 -24.971 28.257 605 HB2 TYR 87 HB2 TYR 87 65.822 -25.419 25.370 606 HB3 TYR 87 HB1 TYR 87 66.232 -24.004 26.316 607 HD1 TYR 87 HD1 TYR 87 66.846 -27.647 25.893 608 HD2 TYR 87 HD2 TYR 87 67.902 -24.133 28.164 609 HE1 TYR 87 HE1 TYR 87 68.782 -28.837 26.858 610 HE2 TYR 87 HE2 TYR 87 69.831 -25.340 29.120 611 HH TYR 87 HH TYR 87 71.173 -27.195 28.817 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 42.683 11.942 29.187 2 H2 MET 1 HT2 MET 1 44.128 11.971 28.294 3 H3 MET 1 HT3 MET 1 43.766 13.233 29.371 4 HA MET 1 HA MET 1 44.976 10.684 29.872 5 HB2 MET 1 HB2 MET 1 44.723 13.347 31.297 6 HB3 MET 1 HB1 MET 1 45.551 11.978 32.030 7 HG2 MET 1 HG2 MET 1 46.294 12.907 29.259 8 HG3 MET 1 HG1 MET 1 46.961 13.718 30.670 9 HE1 MET 1 HE1 MET 1 49.382 11.342 32.247 10 HE2 MET 1 HE2 MET 1 48.054 12.418 32.654 11 HE3 MET 1 HE3 MET 1 49.311 12.962 31.547 12 H GLY 2 HN GLY 2 44.240 9.073 31.098 13 HA2 GLY 2 HA2 GLY 2 42.982 7.891 32.630 14 HA3 GLY 2 HA1 GLY 2 42.391 9.425 33.261 15 H ALA 3 HN ALA 3 42.104 8.813 29.859 16 HA ALA 3 HA ALA 3 39.446 7.721 30.036 17 HB1 ALA 3 HB1 ALA 3 39.738 10.527 30.056 18 HB2 ALA 3 HB2 ALA 3 38.248 9.619 29.800 19 HB3 ALA 3 HB3 ALA 3 39.232 10.109 28.421 20 HA PRO 4 HA PRO 4 40.360 6.202 25.921 21 HB2 PRO 4 HB2 PRO 4 38.014 7.416 24.621 22 HB3 PRO 4 HB1 PRO 4 38.428 5.709 24.822 23 HG2 PRO 4 HG2 PRO 4 36.435 6.953 26.167 24 HG3 PRO 4 HG1 PRO 4 37.303 5.536 26.772 25 HD2 PRO 4 HD2 PRO 4 37.468 8.351 27.624 26 HD3 PRO 4 HD1 PRO 4 37.797 6.854 28.511 27 H VAL 5 HN VAL 5 41.438 6.814 24.062 28 HA VAL 5 HA VAL 5 41.362 9.599 23.223 29 HB VAL 5 HB VAL 5 44.011 9.199 22.975 30 HG11 VAL 5 HG11 VAL 5 43.226 11.122 24.170 31 HG12 VAL 5 HG12 VAL 5 44.274 10.250 25.288 32 HG13 VAL 5 HG13 VAL 5 42.527 10.124 25.450 33 HG21 VAL 5 HG21 VAL 5 44.978 7.903 24.670 34 HG22 VAL 5 HG22 VAL 5 43.702 6.881 24.019 35 HG23 VAL 5 HG23 VAL 5 43.462 7.735 25.549 36 HA PRO 6 HA PRO 6 41.381 7.943 19.011 37 HB2 PRO 6 HB2 PRO 6 43.789 9.540 18.340 38 HB3 PRO 6 HB1 PRO 6 42.205 9.507 17.555 39 HG2 PRO 6 HG2 PRO 6 43.070 11.520 19.139 40 HG3 PRO 6 HG1 PRO 6 41.367 11.112 18.893 41 HD2 PRO 6 HD2 PRO 6 43.021 10.784 21.267 42 HD3 PRO 6 HD1 PRO 6 41.261 10.767 21.084 43 H TYR 7 HN TYR 7 44.553 8.323 20.527 44 HA TYR 7 HA TYR 7 46.010 6.537 18.989 45 HB2 TYR 7 HB2 TYR 7 46.288 7.755 21.647 46 HB3 TYR 7 HB1 TYR 7 47.194 6.271 21.396 47 HD1 TYR 7 HD1 TYR 7 46.459 9.603 19.863 48 HD2 TYR 7 HD2 TYR 7 49.247 6.322 20.036 49 HE1 TYR 7 HE1 TYR 7 48.080 10.893 18.510 50 HE2 TYR 7 HE2 TYR 7 50.853 7.618 18.697 51 HH TYR 7 HH TYR 7 50.112 10.937 17.633 52 HA PRO 8 HA PRO 8 43.797 2.872 20.811 53 HB2 PRO 8 HB2 PRO 8 44.646 0.894 19.169 54 HB3 PRO 8 HB1 PRO 8 43.452 2.097 18.656 55 HG2 PRO 8 HG2 PRO 8 46.355 1.936 18.053 56 HG3 PRO 8 HG1 PRO 8 45.003 2.400 17.007 57 HD2 PRO 8 HD2 PRO 8 46.694 4.177 18.251 58 HD3 PRO 8 HD1 PRO 8 45.055 4.557 17.684 59 H ASP 9 HN ASP 9 46.866 3.736 21.143 60 HA ASP 9 HA ASP 9 47.543 1.554 23.013 61 HB2 ASP 9 HB2 ASP 9 49.286 2.391 20.697 62 HB3 ASP 9 HB1 ASP 9 49.861 1.459 22.080 63 HA PRO 10 HA PRO 10 48.455 5.981 24.511 64 HB2 PRO 10 HB2 PRO 10 47.653 4.762 27.095 65 HB3 PRO 10 HB1 PRO 10 47.164 6.304 26.372 66 HG2 PRO 10 HG2 PRO 10 45.539 4.179 26.502 67 HG3 PRO 10 HG1 PRO 10 45.469 5.366 25.195 68 HD2 PRO 10 HD2 PRO 10 46.510 2.592 25.167 69 HD3 PRO 10 HD1 PRO 10 45.782 3.550 23.859 70 H LEU 11 HN LEU 11 49.174 2.798 25.815 71 HA LEU 11 HA LEU 11 51.440 3.591 27.388 72 HB2 LEU 11 HB2 LEU 11 50.563 0.899 26.341 73 HB3 LEU 11 HB1 LEU 11 51.944 1.114 27.402 74 HG LEU 11 HG LEU 11 49.100 2.003 28.085 75 HD11 LEU 11 HD11 LEU 11 49.177 -0.003 29.670 76 HD12 LEU 11 HD12 LEU 11 50.509 -0.598 28.685 77 HD13 LEU 11 HD13 LEU 11 48.922 -0.340 27.961 78 HD21 LEU 11 HD21 LEU 11 50.278 1.592 30.495 79 HD22 LEU 11 HD22 LEU 11 50.239 3.159 29.702 80 HD23 LEU 11 HD23 LEU 11 51.684 2.160 29.600 81 H GLU 12 HN GLU 12 50.981 2.372 24.143 82 HA GLU 12 HA GLU 12 52.555 1.715 22.518 83 HB2 GLU 12 HB2 GLU 12 53.691 3.872 21.678 84 HB3 GLU 12 HB1 GLU 12 51.945 3.801 21.711 85 HG2 GLU 12 HG2 GLU 12 51.806 5.169 23.660 86 HG3 GLU 12 HG1 GLU 12 53.527 5.021 23.993 87 HA PRO 13 HA PRO 13 56.223 1.345 25.507 88 HB2 PRO 13 HB2 PRO 13 56.401 -1.353 24.307 89 HB3 PRO 13 HB1 PRO 13 56.458 -0.871 26.010 90 HG2 PRO 13 HG2 PRO 13 54.337 -2.103 24.920 91 HG3 PRO 13 HG1 PRO 13 54.196 -0.931 26.241 92 HD2 PRO 13 HD2 PRO 13 53.530 -0.606 23.357 93 HD3 PRO 13 HD1 PRO 13 52.812 0.150 24.795 94 H ARG 14 HN ARG 14 58.367 1.604 24.941 95 HA ARG 14 HA ARG 14 58.997 2.310 22.275 96 HB2 ARG 14 HB2 ARG 14 60.752 1.688 24.662 97 HB3 ARG 14 HB1 ARG 14 61.380 2.291 23.132 98 HG2 ARG 14 HG2 ARG 14 60.081 4.363 23.342 99 HG3 ARG 14 HG1 ARG 14 59.279 3.753 24.786 100 HD2 ARG 14 HD2 ARG 14 61.414 3.762 26.000 101 HD3 ARG 14 HD1 ARG 14 62.260 4.292 24.545 102 HE ARG 14 HE ARG 14 60.216 6.134 25.041 103 HH11 ARG 14 HH21 ARG 14 63.098 4.932 26.528 104 HH12 ARG 14 HH22 ARG 14 63.440 6.406 27.372 105 HH21 ARG 14 HH11 ARG 14 60.643 8.058 26.159 106 HH22 ARG 14 HH12 ARG 14 62.049 8.175 27.162 107 H GLY 15 HN GLY 15 59.551 -0.619 24.168 108 HA2 GLY 15 HA2 GLY 15 60.081 -2.765 23.527 109 HA3 GLY 15 HA1 GLY 15 59.603 -2.305 21.896 110 H GLY 16 HN GLY 16 61.223 -3.015 20.625 111 HA2 GLY 16 HA2 GLY 16 63.974 -3.053 21.395 112 HA3 GLY 16 HA1 GLY 16 63.344 -3.344 19.777 113 H LYS 17 HN LYS 17 65.636 -1.708 20.839 114 HA LYS 17 HA LYS 17 65.022 1.048 20.365 115 HB2 LYS 17 HB2 LYS 17 67.731 -0.306 20.148 116 HB3 LYS 17 HB1 LYS 17 67.420 1.381 20.514 117 HG2 LYS 17 HG2 LYS 17 66.800 -1.010 22.327 118 HG3 LYS 17 HG1 LYS 17 68.079 0.161 22.554 119 HD2 LYS 17 HD2 LYS 17 66.136 1.937 22.623 120 HD3 LYS 17 HD1 LYS 17 65.104 0.539 22.890 121 HE2 LYS 17 HE2 LYS 17 66.682 -0.087 24.777 122 HE3 LYS 17 HE1 LYS 17 67.348 1.543 24.615 123 HZ1 LYS 17 HZ1 LYS 17 64.844 2.200 24.652 124 HZ2 LYS 17 HZ2 LYS 17 65.675 1.911 26.105 125 HZ3 LYS 17 HZ3 LYS 17 64.660 0.715 25.452 126 H HIS 18 HN HIS 18 66.663 -1.455 18.509 127 HA HIS 18 HA HIS 18 67.241 -0.099 16.250 128 HB2 HIS 18 HB2 HIS 18 67.198 -2.755 16.982 129 HB3 HIS 18 HB1 HIS 18 66.079 -2.717 15.633 130 HD2 HIS 18 HD2 HIS 18 67.945 -0.457 13.853 131 HE1 HIS 18 HE1 HIS 18 70.762 -3.581 13.976 132 H ILE 19 HN ILE 19 64.090 -1.210 17.147 133 HA ILE 19 HA ILE 19 62.912 -0.313 14.576 134 HB ILE 19 HB ILE 19 61.906 -2.275 16.653 135 HG12 ILE 19 HG12 ILE 19 62.166 -2.854 13.709 136 HG13 ILE 19 HG11 ILE 19 63.623 -2.874 14.686 137 HG21 ILE 19 HG21 ILE 19 60.409 -0.874 14.423 138 HG22 ILE 19 HG22 ILE 19 59.845 -1.352 16.022 139 HG23 ILE 19 HG23 ILE 19 60.043 -2.555 14.766 140 HD11 ILE 19 HD11 ILE 19 62.421 -5.113 14.405 141 HD12 ILE 19 HD12 ILE 19 61.154 -4.467 15.446 142 HD13 ILE 19 HD13 ILE 19 62.797 -4.655 16.064 143 H CYS 20 HN CYS 20 62.030 1.611 14.644 144 HA CYS 20 HA CYS 20 61.348 2.921 17.137 145 HB2 CYS 20 HB2 CYS 20 62.136 4.247 15.283 146 HB3 CYS 20 HB1 CYS 20 60.862 3.663 14.256 147 H ALA 21 HN ALA 21 59.219 3.433 17.863 148 HA ALA 21 HA ALA 21 57.261 1.376 17.366 149 HB1 ALA 21 HB1 ALA 21 57.620 2.387 19.595 150 HB2 ALA 21 HB2 ALA 21 55.948 2.535 19.055 151 HB3 ALA 21 HB3 ALA 21 57.028 3.927 18.970 152 H ILE 22 HN ILE 22 57.975 4.368 15.994 153 HA ILE 22 HA ILE 22 55.303 4.715 14.787 154 HB ILE 22 HB ILE 22 57.487 6.720 15.397 155 HG12 ILE 22 HG12 ILE 22 54.619 6.991 16.253 156 HG13 ILE 22 HG11 ILE 22 55.634 5.871 17.144 157 HG21 ILE 22 HG21 ILE 22 56.690 7.667 13.402 158 HG22 ILE 22 HG22 ILE 22 55.574 8.367 14.554 159 HG23 ILE 22 HG23 ILE 22 55.075 6.985 13.596 160 HD11 ILE 22 HD11 ILE 22 55.514 8.249 18.065 161 HD12 ILE 22 HD12 ILE 22 56.446 8.754 16.660 162 HD13 ILE 22 HD13 ILE 22 57.139 7.614 17.817 163 H CYS 23 HN CYS 23 58.494 5.949 13.824 164 HA CYS 23 HA CYS 23 58.019 5.675 11.088 165 HB2 CYS 23 HB2 CYS 23 60.785 5.714 12.139 166 HB3 CYS 23 HB1 CYS 23 60.092 6.615 10.798 167 H GLY 24 HN GLY 24 58.766 3.287 13.294 168 HA2 GLY 24 HA2 GLY 24 59.053 1.027 12.929 169 HA3 GLY 24 HA1 GLY 24 59.141 1.338 11.215 170 H ASN 25 HN ASN 25 61.503 3.402 11.935 171 HA ASN 25 HA ASN 25 63.566 1.645 12.876 172 HB2 ASN 25 HB2 ASN 25 64.801 1.378 10.774 173 HB3 ASN 25 HB1 ASN 25 63.212 0.692 10.603 174 HD21 ASN 25 HD21 ASN 25 64.664 1.512 8.327 175 HD22 ASN 25 HD22 ASN 25 63.877 2.849 7.638 176 H ASN 26 HN ASN 26 62.639 4.661 13.014 177 HA ASN 26 HA ASN 26 65.195 5.989 12.248 178 HB2 ASN 26 HB2 ASN 26 62.584 7.093 13.216 179 HB3 ASN 26 HB1 ASN 26 64.026 8.066 13.101 180 HD21 ASN 26 HD21 ASN 26 64.271 9.122 11.146 181 HD22 ASN 26 HD22 ASN 26 63.655 8.575 9.662 182 H ALA 27 HN ALA 27 64.073 4.324 14.847 183 HA ALA 27 HA ALA 27 65.222 5.901 16.992 184 HB1 ALA 27 HB1 ALA 27 64.670 3.771 18.318 185 HB2 ALA 27 HB2 ALA 27 63.965 3.151 16.820 186 HB3 ALA 27 HB3 ALA 27 63.310 4.602 17.573 187 H GLU 28 HN GLU 28 67.193 5.861 15.368 188 HA GLU 28 HA GLU 28 69.179 4.146 16.522 189 HB2 GLU 28 HB2 GLU 28 68.430 2.740 14.651 190 HB3 GLU 28 HB1 GLU 28 68.568 4.103 13.551 191 HG2 GLU 28 HG2 GLU 28 70.940 4.084 13.636 192 HG3 GLU 28 HG1 GLU 28 70.974 3.065 15.073 193 H ASP 29 HN ASP 29 68.220 6.776 14.426 194 HA ASP 29 HA ASP 29 70.760 8.170 14.989 195 HB2 ASP 29 HB2 ASP 29 69.493 7.819 12.264 196 HB3 ASP 29 HB1 ASP 29 70.738 9.013 12.621 197 H TYR 30 HN TYR 30 68.409 9.413 12.742 198 HA TYR 30 HA TYR 30 68.039 11.761 14.417 199 HB2 TYR 30 HB2 TYR 30 67.118 11.082 11.624 200 HB3 TYR 30 HB1 TYR 30 66.862 12.627 12.415 201 HD1 TYR 30 HD1 TYR 30 68.817 14.089 13.041 202 HD2 TYR 30 HD2 TYR 30 69.377 10.458 10.786 203 HE1 TYR 30 HE1 TYR 30 71.073 14.837 12.387 204 HE2 TYR 30 HE2 TYR 30 71.635 11.217 10.145 205 HH TYR 30 HH TYR 30 72.683 14.346 10.431 206 H LYS 31 HN LYS 31 65.849 12.703 14.546 207 HA LYS 31 HA LYS 31 63.655 10.733 14.788 208 HB2 LYS 31 HB2 LYS 31 64.435 12.810 16.871 209 HB3 LYS 31 HB1 LYS 31 62.990 11.810 16.940 210 HG2 LYS 31 HG2 LYS 31 64.431 9.762 17.028 211 HG3 LYS 31 HG1 LYS 31 65.854 10.793 17.030 212 HD2 LYS 31 HD2 LYS 31 65.114 11.829 19.163 213 HD3 LYS 31 HD1 LYS 31 63.693 10.788 19.175 214 HE2 LYS 31 HE2 LYS 31 65.164 8.790 19.288 215 HE3 LYS 31 HE1 LYS 31 66.582 9.841 19.299 216 HZ1 LYS 31 HZ1 LYS 31 65.172 9.014 21.471 217 HZ2 LYS 31 HZ2 LYS 31 64.645 10.612 21.242 218 HZ3 LYS 31 HZ3 LYS 31 66.301 10.279 21.433 219 H HIS 32 HN HIS 32 64.145 12.442 12.659 220 HA HIS 32 HA HIS 32 62.521 14.832 12.946 221 HB2 HIS 32 HB2 HIS 32 64.093 13.559 10.775 222 HB3 HIS 32 HB1 HIS 32 62.782 14.641 10.314 223 HD2 HIS 32 HD2 HIS 32 63.336 17.354 10.667 224 HE1 HIS 32 HE1 HIS 32 66.994 16.891 12.724 225 HE2 HIS 32 HE2 HIS 32 65.414 18.579 11.676 226 H THR 33 HN THR 33 62.120 11.610 11.604 227 HA THR 33 HA THR 33 59.547 12.176 10.406 228 HB THR 33 HB THR 33 59.512 9.650 10.154 229 HG1 THR 33 HG1 THR 33 61.087 9.592 12.013 230 HG21 THR 33 HG21 THR 33 61.518 9.657 8.558 231 HG22 THR 33 HG22 THR 33 61.794 11.320 9.066 232 HG23 THR 33 HG23 THR 33 60.289 10.882 8.263 233 H ASP 34 HN ASP 34 60.593 11.566 13.553 234 HA ASP 34 HA ASP 34 58.457 9.950 14.501 235 HB2 ASP 34 HB2 ASP 34 60.425 11.793 15.813 236 HB3 ASP 34 HB1 ASP 34 59.068 11.187 16.746 237 H MET 35 HN MET 35 58.788 13.389 13.972 238 HA MET 35 HA MET 35 56.488 14.202 15.423 239 HB2 MET 35 HB2 MET 35 58.012 15.447 13.127 240 HB3 MET 35 HB1 MET 35 56.582 16.212 13.814 241 HG2 MET 35 HG2 MET 35 58.833 15.345 15.618 242 HG3 MET 35 HG1 MET 35 58.951 16.860 14.735 243 HE1 MET 35 HE1 MET 35 56.555 19.237 16.315 244 HE2 MET 35 HE2 MET 35 57.113 18.682 14.741 245 HE3 MET 35 HE3 MET 35 58.285 19.045 16.011 246 H ASP 36 HN ASP 36 56.975 13.226 12.055 247 HA ASP 36 HA ASP 36 54.180 12.467 11.793 248 HB2 ASP 36 HB2 ASP 36 53.674 13.904 9.918 249 HB3 ASP 36 HB1 ASP 36 54.176 14.922 11.264 250 H LEU 37 HN LEU 37 53.775 11.151 9.999 251 HA LEU 37 HA LEU 37 56.031 9.616 9.072 252 HB2 LEU 37 HB2 LEU 37 53.175 9.592 8.052 253 HB3 LEU 37 HB1 LEU 37 54.375 8.341 7.790 254 HG LEU 37 HG LEU 37 53.163 9.123 10.492 255 HD11 LEU 37 HD11 LEU 37 51.533 7.918 9.151 256 HD12 LEU 37 HD12 LEU 37 52.129 6.874 10.436 257 HD13 LEU 37 HD13 LEU 37 52.714 6.657 8.791 258 HD21 LEU 37 HD21 LEU 37 55.213 8.267 11.169 259 HD22 LEU 37 HD22 LEU 37 55.357 7.170 9.799 260 HD23 LEU 37 HD23 LEU 37 54.241 6.802 11.112 261 H THR 38 HN THR 38 56.879 9.494 7.042 262 HA THR 38 HA THR 38 56.067 11.480 4.996 263 HB THR 38 HB THR 38 58.326 12.220 4.673 264 HG1 THR 38 HG1 THR 38 58.876 10.064 6.375 265 HG21 THR 38 HG21 THR 38 58.776 13.402 6.688 266 HG22 THR 38 HG22 THR 38 58.057 12.145 7.688 267 HG23 THR 38 HG23 THR 38 57.027 13.176 6.697 268 H TYR 39 HN TYR 39 57.214 11.059 2.901 269 HA TYR 39 HA TYR 39 56.740 8.339 2.147 270 HB2 TYR 39 HB2 TYR 39 58.023 10.634 0.644 271 HB3 TYR 39 HB1 TYR 39 57.622 9.084 -0.070 272 HD1 TYR 39 HD1 TYR 39 56.202 12.211 1.355 273 HD2 TYR 39 HD2 TYR 39 55.244 8.399 -0.421 274 HE1 TYR 39 HE1 TYR 39 53.876 12.947 1.006 275 HE2 TYR 39 HE2 TYR 39 52.928 9.153 -0.765 276 HH TYR 39 HH TYR 39 51.399 10.735 -0.169 277 H THR 40 HN THR 40 58.126 6.678 1.958 278 HA THR 40 HA THR 40 60.784 6.929 3.024 279 HB THR 40 HB THR 40 59.301 4.605 1.752 280 HG1 THR 40 HG1 THR 40 58.895 4.043 3.807 281 HG21 THR 40 HG21 THR 40 62.105 4.773 2.863 282 HG22 THR 40 HG22 THR 40 61.497 3.851 1.489 283 HG23 THR 40 HG23 THR 40 61.153 3.317 3.126 284 H ASP 41 HN ASP 41 62.663 7.155 1.946 285 HA ASP 41 HA ASP 41 62.649 7.587 -0.937 286 HB2 ASP 41 HB2 ASP 41 63.901 9.097 0.543 287 HB3 ASP 41 HB1 ASP 41 64.913 7.758 1.070 288 H ARG 42 HN ARG 42 62.389 5.606 -1.925 289 HA ARG 42 HA ARG 42 63.867 3.259 -1.171 290 HB2 ARG 42 HB2 ARG 42 62.314 3.954 -3.673 291 HB3 ARG 42 HB1 ARG 42 63.017 2.372 -3.358 292 HG2 ARG 42 HG2 ARG 42 61.607 2.083 -1.358 293 HG3 ARG 42 HG1 ARG 42 60.965 3.711 -1.538 294 HD2 ARG 42 HD2 ARG 42 59.371 2.059 -2.369 295 HD3 ARG 42 HD1 ARG 42 59.941 3.046 -3.708 296 HE ARG 42 HE ARG 42 61.573 0.735 -3.446 297 HH11 ARG 42 HH21 ARG 42 58.408 1.754 -4.391 298 HH12 ARG 42 HH22 ARG 42 58.172 0.443 -5.498 299 HH21 ARG 42 HH11 ARG 42 61.271 -0.982 -4.884 300 HH22 ARG 42 HH12 ARG 42 59.791 -1.105 -5.777 301 H ASP 43 HN ASP 43 65.664 2.365 -2.117 302 HA ASP 43 HA ASP 43 67.548 4.193 -3.273 303 HB2 ASP 43 HB2 ASP 43 67.679 1.182 -2.960 304 HB3 ASP 43 HB1 ASP 43 69.033 2.237 -3.357 305 H TYR 44 HN TYR 44 67.235 4.884 -5.294 306 HA TYR 44 HA TYR 44 65.849 3.522 -7.323 307 HB2 TYR 44 HB2 TYR 44 67.957 5.680 -7.553 308 HB3 TYR 44 HB1 TYR 44 66.904 5.162 -8.858 309 HD1 TYR 44 HD1 TYR 44 67.010 6.891 -5.566 310 HD2 TYR 44 HD2 TYR 44 64.473 5.698 -8.843 311 HE1 TYR 44 HE1 TYR 44 65.224 8.374 -4.737 312 HE2 TYR 44 HE2 TYR 44 62.696 7.190 -8.001 313 HH TYR 44 HH TYR 44 63.038 9.598 -6.147 314 H LYS 45 HN LYS 45 69.330 3.846 -6.713 315 HA LYS 45 HA LYS 45 69.855 1.425 -8.357 316 HB2 LYS 45 HB2 LYS 45 71.450 3.999 -8.292 317 HB3 LYS 45 HB1 LYS 45 71.986 2.509 -9.059 318 HG2 LYS 45 HG2 LYS 45 70.028 2.592 -10.605 319 HG3 LYS 45 HG1 LYS 45 69.486 4.077 -9.833 320 HD2 LYS 45 HD2 LYS 45 71.577 5.218 -10.555 321 HD3 LYS 45 HD1 LYS 45 72.115 3.731 -11.332 322 HE2 LYS 45 HE2 LYS 45 70.156 3.824 -12.856 323 HE3 LYS 45 HE1 LYS 45 69.625 5.315 -12.077 324 HZ1 LYS 45 HZ1 LYS 45 71.013 5.485 -14.185 325 HZ2 LYS 45 HZ2 LYS 45 72.335 5.069 -13.202 326 HZ3 LYS 45 HZ3 LYS 45 71.437 6.473 -12.875 327 H ASN 46 HN ASN 46 71.272 0.008 -7.572 328 HA ASN 46 HA ASN 46 71.944 0.203 -4.758 329 HB2 ASN 46 HB2 ASN 46 71.180 -1.921 -5.679 330 HB3 ASN 46 HB1 ASN 46 72.524 -1.940 -6.818 331 HD21 ASN 46 HD21 ASN 46 74.263 -3.172 -6.121 332 HD22 ASN 46 HD22 ASN 46 74.658 -3.476 -4.499 333 H CYS 47 HN CYS 47 73.512 1.744 -4.466 334 HA CYS 47 HA CYS 47 75.812 2.011 -6.136 335 HB2 CYS 47 HB2 CYS 47 75.308 3.000 -3.319 336 HB3 CYS 47 HB1 CYS 47 76.648 3.500 -4.351 337 HG CYS 47 HG CYS 47 74.636 4.275 -6.079 338 H GLU 48 HN GLU 48 75.367 0.735 -2.838 339 HA GLU 48 HA GLU 48 77.718 -1.049 -3.194 340 HB2 GLU 48 HB2 GLU 48 77.039 0.656 -0.783 341 HB3 GLU 48 HB1 GLU 48 78.239 -0.631 -0.778 342 HG2 GLU 48 HG2 GLU 48 79.574 0.574 -2.482 343 HG3 GLU 48 HG1 GLU 48 78.351 1.838 -2.562 344 H SER 49 HN SER 49 77.760 -2.805 -1.611 345 HA SER 49 HA SER 49 75.309 -3.577 -0.305 346 HB2 SER 49 HB2 SER 49 74.687 -4.173 -2.585 347 HB3 SER 49 HB1 SER 49 76.198 -5.047 -2.803 348 HG SER 49 HG SER 49 75.501 -6.605 -1.486 349 H TYR 50 HN TYR 50 76.767 -3.645 1.459 350 HA TYR 50 HA TYR 50 79.106 -5.224 1.497 351 HB2 TYR 50 HB2 TYR 50 78.723 -3.487 3.160 352 HB3 TYR 50 HB1 TYR 50 77.276 -4.303 3.721 353 HD1 TYR 50 HD2 TYR 50 80.965 -4.864 3.245 354 HD2 TYR 50 HD1 TYR 50 77.482 -5.848 5.592 355 HE1 TYR 50 HE2 TYR 50 82.365 -6.190 4.796 356 HE2 TYR 50 HE1 TYR 50 78.892 -7.154 7.123 357 HH TYR 50 HH TYR 50 82.265 -6.958 7.156 358 H HIS 51 HN HIS 51 75.827 -5.859 2.557 359 HA HIS 51 HA HIS 51 75.760 -8.568 1.811 360 HB2 HIS 51 HB2 HIS 51 76.933 -8.132 4.470 361 HB3 HIS 51 HB1 HIS 51 75.513 -9.159 4.509 362 HD2 HIS 51 HD2 HIS 51 75.729 -11.443 2.634 363 HE1 HIS 51 HE1 HIS 51 79.949 -11.345 2.666 364 HE2 HIS 51 HE2 HIS 51 77.916 -12.725 2.021 365 H LYS 52 HN LYS 52 74.494 -5.879 3.541 366 HA LYS 52 HA LYS 52 72.455 -5.290 4.333 367 HB2 LYS 52 HB2 LYS 52 71.617 -7.019 2.000 368 HB3 LYS 52 HB1 LYS 52 70.591 -5.872 2.843 369 HG2 LYS 52 HG2 LYS 52 72.089 -4.012 2.155 370 HG3 LYS 52 HG1 LYS 52 73.137 -5.160 1.336 371 HD2 LYS 52 HD2 LYS 52 71.294 -5.760 -0.212 372 HD3 LYS 52 HD1 LYS 52 70.218 -4.642 0.621 373 HE2 LYS 52 HE2 LYS 52 71.679 -2.757 -0.029 374 HE3 LYS 52 HE1 LYS 52 72.761 -3.884 -0.843 375 HZ1 LYS 52 HZ1 LYS 52 70.441 -4.566 -1.932 376 HZ2 LYS 52 HZ2 LYS 52 71.471 -3.390 -2.596 377 HZ3 LYS 52 HZ3 LYS 52 70.145 -2.922 -1.643 378 H CYS 53 HN CYS 53 73.033 -6.672 6.189 379 HA CYS 53 HA CYS 53 71.911 -9.293 6.453 380 HB2 CYS 53 HB2 CYS 53 72.931 -7.339 8.509 381 HB3 CYS 53 HB1 CYS 53 72.441 -8.992 8.877 382 HG CYS 53 HG CYS 53 74.696 -8.484 6.772 383 H SER 54 HN SER 54 71.020 -6.201 7.967 384 HA SER 54 HA SER 54 68.271 -7.194 8.446 385 HB2 SER 54 HB2 SER 54 68.206 -5.452 10.199 386 HB3 SER 54 HB1 SER 54 69.380 -6.722 10.513 387 HG SER 54 HG SER 54 70.343 -4.626 9.028 388 H ASP 55 HN ASP 55 67.819 -6.599 6.251 389 HA ASP 55 HA ASP 55 68.003 -4.076 5.114 390 HB2 ASP 55 HB2 ASP 55 65.847 -4.802 3.905 391 HB3 ASP 55 HB1 ASP 55 67.284 -5.799 3.694 392 H LEU 56 HN LEU 56 66.074 -5.063 7.753 393 HA LEU 56 HA LEU 56 63.901 -3.248 7.536 394 HB2 LEU 56 HB2 LEU 56 65.178 -4.229 10.102 395 HB3 LEU 56 HB1 LEU 56 63.529 -3.667 9.901 396 HG LEU 56 HG LEU 56 64.717 -6.244 8.740 397 HD11 LEU 56 HD11 LEU 56 62.566 -5.882 10.843 398 HD12 LEU 56 HD12 LEU 56 64.232 -6.364 11.167 399 HD13 LEU 56 HD13 LEU 56 63.179 -7.411 10.221 400 HD21 LEU 56 HD21 LEU 56 62.018 -4.944 8.298 401 HD22 LEU 56 HD22 LEU 56 62.188 -6.696 8.263 402 HD23 LEU 56 HD23 LEU 56 63.094 -5.707 7.130 403 H CYS 57 HN CYS 57 67.125 -3.058 9.058 404 HA CYS 57 HA CYS 57 66.724 -0.219 9.737 405 HB2 CYS 57 HB2 CYS 57 67.645 -1.414 11.470 406 HB3 CYS 57 HB1 CYS 57 68.725 -2.339 10.467 407 H GLN 58 HN GLN 58 67.235 1.197 8.219 408 HA GLN 58 HA GLN 58 68.495 0.552 5.807 409 HB2 GLN 58 HB2 GLN 58 68.297 2.882 5.247 410 HB3 GLN 58 HB1 GLN 58 66.862 2.392 6.139 411 HG2 GLN 58 HG2 GLN 58 68.235 3.280 8.242 412 HG3 GLN 58 HG1 GLN 58 69.118 4.187 7.015 413 HE21 GLN 58 HE21 GLN 58 67.046 5.020 9.146 414 HE22 GLN 58 HE22 GLN 58 65.919 5.932 8.264 415 H TYR 59 HN TYR 59 69.898 2.046 8.684 416 HA TYR 59 HA TYR 59 72.362 2.757 7.384 417 HB2 TYR 59 HB2 TYR 59 71.105 3.322 9.834 418 HB3 TYR 59 HB1 TYR 59 72.676 2.635 10.209 419 HD1 TYR 59 HD1 TYR 59 74.752 3.597 9.076 420 HD2 TYR 59 HD2 TYR 59 70.938 5.591 8.906 421 HE1 TYR 59 HE1 TYR 59 75.873 5.698 8.412 422 HE2 TYR 59 HE2 TYR 59 72.067 7.683 8.248 423 HH TYR 59 HH TYR 59 74.966 7.897 7.011 424 H CYS 60 HN CYS 60 71.211 -0.059 9.096 425 HA CYS 60 HA CYS 60 73.631 -1.192 9.884 426 HB2 CYS 60 HB2 CYS 60 70.933 -2.166 9.282 427 HB3 CYS 60 HB1 CYS 60 72.199 -3.362 9.268 428 H ARG 61 HN ARG 61 72.187 -0.893 6.740 429 HA ARG 61 HA ARG 61 73.452 -3.039 5.413 430 HB2 ARG 61 HB2 ARG 61 72.657 -0.318 4.332 431 HB3 ARG 61 HB1 ARG 61 73.044 -1.730 3.354 432 HG2 ARG 61 HG2 ARG 61 71.115 -2.962 4.310 433 HG3 ARG 61 HG1 ARG 61 70.750 -1.609 5.365 434 HD2 ARG 61 HD2 ARG 61 70.257 -0.187 3.427 435 HD3 ARG 61 HD1 ARG 61 70.677 -1.503 2.332 436 HE ARG 61 HE ARG 61 68.710 -2.433 4.105 437 HH11 ARG 61 HH21 ARG 61 69.119 -0.095 1.596 438 HH12 ARG 61 HH22 ARG 61 67.483 -0.203 1.039 439 HH21 ARG 61 HH11 ARG 61 66.572 -2.604 3.370 440 HH22 ARG 61 HH12 ARG 61 66.040 -1.624 2.044 441 H TYR 62 HN TYR 62 74.614 0.190 6.205 442 HA TYR 62 HA TYR 62 77.139 -0.209 4.739 443 HB2 TYR 62 HB2 TYR 62 76.151 2.216 6.234 444 HB3 TYR 62 HB1 TYR 62 77.565 2.124 5.201 445 HD1 TYR 62 HD2 TYR 62 73.846 2.123 5.241 446 HD2 TYR 62 HD1 TYR 62 77.346 2.001 2.720 447 HE1 TYR 62 HE2 TYR 62 72.456 2.620 3.270 448 HE2 TYR 62 HE1 TYR 62 75.936 2.486 0.757 449 HH TYR 62 HH TYR 62 72.689 3.534 1.031 450 H GLN 63 HN GLN 63 76.031 0.695 7.996 451 HA GLN 63 HA GLN 63 78.475 -0.479 9.210 452 HB2 GLN 63 HB2 GLN 63 77.262 2.231 9.826 453 HB3 GLN 63 HB1 GLN 63 78.469 1.439 10.833 454 HG2 GLN 63 HG2 GLN 63 80.086 1.496 8.953 455 HG3 GLN 63 HG1 GLN 63 78.870 2.255 7.932 456 HE21 GLN 63 HE21 GLN 63 80.932 3.841 8.004 457 HE22 GLN 63 HE22 GLN 63 80.805 5.087 9.150 458 H LYS 64 HN LYS 64 77.871 -2.014 10.529 459 HA LYS 64 HA LYS 64 75.259 -2.470 11.460 460 HB2 LYS 64 HB2 LYS 64 77.775 -3.366 12.873 461 HB3 LYS 64 HB1 LYS 64 76.199 -4.118 12.957 462 HG2 LYS 64 HG2 LYS 64 78.069 -4.051 10.560 463 HG3 LYS 64 HG1 LYS 64 77.658 -5.450 11.538 464 HD2 LYS 64 HD2 LYS 64 75.194 -5.007 10.751 465 HD3 LYS 64 HD1 LYS 64 75.943 -4.005 9.518 466 HE2 LYS 64 HE2 LYS 64 77.449 -6.076 9.036 467 HE3 LYS 64 HE1 LYS 64 76.211 -6.972 9.917 468 HZ1 LYS 64 HZ1 LYS 64 75.805 -6.901 7.523 469 HZ2 LYS 64 HZ2 LYS 64 75.711 -5.207 7.586 470 HZ3 LYS 64 HZ3 LYS 64 74.558 -6.153 8.396 471 H ASP 65 HN ASP 65 74.120 -1.964 13.117 472 HA ASP 65 HA ASP 65 75.186 -0.110 15.194 473 HB2 ASP 65 HB2 ASP 65 72.334 -0.049 14.508 474 HB3 ASP 65 HB1 ASP 65 73.390 1.263 14.944 475 H LEU 66 HN LEU 66 74.525 -3.181 14.962 476 HA LEU 66 HA LEU 66 72.330 -3.787 16.556 477 HB2 LEU 66 HB2 LEU 66 74.920 -5.260 16.102 478 HB3 LEU 66 HB1 LEU 66 73.603 -5.979 17.009 479 HG LEU 66 HG LEU 66 73.011 -4.880 14.259 480 HD11 LEU 66 HD11 LEU 66 74.911 -6.235 13.711 481 HD12 LEU 66 HD12 LEU 66 73.501 -7.236 13.398 482 HD13 LEU 66 HD13 LEU 66 74.439 -7.484 14.864 483 HD21 LEU 66 HD21 LEU 66 71.260 -6.480 14.250 484 HD22 LEU 66 HD22 LEU 66 71.244 -5.918 15.913 485 HD23 LEU 66 HD23 LEU 66 72.008 -7.450 15.507 486 H ALA 67 HN ALA 67 74.848 -1.985 17.743 487 HA ALA 67 HA ALA 67 75.295 -3.216 20.266 488 HB1 ALA 67 HB1 ALA 67 75.542 -0.336 20.314 489 HB2 ALA 67 HB2 ALA 67 76.308 -1.013 18.877 490 HB3 ALA 67 HB3 ALA 67 76.792 -1.568 20.479 491 H ILE 68 HN ILE 68 73.097 -0.637 19.140 492 HA ILE 68 HA ILE 68 72.053 -0.091 21.695 493 HB ILE 68 HB ILE 68 70.070 0.885 20.350 494 HG12 ILE 68 HG12 ILE 68 71.967 0.859 18.025 495 HG13 ILE 68 HG11 ILE 68 70.959 -0.561 18.246 496 HG21 ILE 68 HG21 ILE 68 72.947 1.807 20.176 497 HG22 ILE 68 HG22 ILE 68 71.659 2.414 21.222 498 HG23 ILE 68 HG23 ILE 68 71.637 2.772 19.503 499 HD11 ILE 68 HD11 ILE 68 68.941 0.734 18.037 500 HD12 ILE 68 HD12 ILE 68 69.999 1.232 16.721 501 HD13 ILE 68 HD13 ILE 68 69.835 2.247 18.149 502 H HIS 69 HN HIS 69 70.870 -2.336 19.197 503 HA HIS 69 HA HIS 69 68.477 -3.079 20.395 504 HB2 HIS 69 HB2 HIS 69 69.329 -3.744 18.106 505 HB3 HIS 69 HB1 HIS 69 70.346 -4.935 18.909 506 HD2 HIS 69 HD2 HIS 69 69.057 -7.343 19.285 507 HE1 HIS 69 HE1 HIS 69 65.082 -5.939 19.064 508 HE2 HIS 69 HE2 HIS 69 66.534 -8.010 19.305 509 H HIS 70 HN HIS 70 71.744 -4.463 20.817 510 HA HIS 70 HA HIS 70 70.907 -6.376 22.807 511 HB2 HIS 70 HB2 HIS 70 73.621 -5.394 21.908 512 HB3 HIS 70 HB1 HIS 70 73.393 -6.640 23.135 513 HD2 HIS 70 HD2 HIS 70 72.860 -9.175 22.112 514 HE1 HIS 70 HE1 HIS 70 72.328 -8.051 18.081 515 HE2 HIS 70 HE2 HIS 70 72.497 -10.020 19.674 516 H GLN 71 HN GLN 71 70.810 -6.135 24.963 517 HA GLN 71 HA GLN 71 71.044 -3.519 26.138 518 HB2 GLN 71 HB2 GLN 71 70.456 -6.271 27.238 519 HB3 GLN 71 HB1 GLN 71 70.608 -4.868 28.289 520 HG2 GLN 71 HG2 GLN 71 68.749 -4.780 25.913 521 HG3 GLN 71 HG1 GLN 71 68.237 -5.558 27.406 522 HE21 GLN 71 HE21 GLN 71 68.207 -2.600 25.818 523 HE22 GLN 71 HE22 GLN 71 68.021 -1.580 27.162 524 H HIS 72 HN HIS 72 72.771 -2.614 27.049 525 HA HIS 72 HA HIS 72 75.301 -3.976 27.118 526 HB2 HIS 72 HB2 HIS 72 74.427 -1.261 28.121 527 HB3 HIS 72 HB1 HIS 72 76.092 -1.840 28.167 528 HD2 HIS 72 HD2 HIS 72 77.398 -1.918 25.655 529 HE1 HIS 72 HE1 HIS 72 74.210 -0.280 23.433 530 HE2 HIS 72 HE2 HIS 72 76.650 -0.968 23.341 531 H HIS 73 HN HIS 73 76.278 -4.977 28.775 532 HA HIS 73 HA HIS 73 74.833 -5.664 31.121 533 HB2 HIS 73 HB2 HIS 73 77.740 -5.961 30.357 534 HB3 HIS 73 HB1 HIS 73 77.074 -6.585 31.866 535 HD2 HIS 73 HD2 HIS 73 77.154 -7.514 28.097 536 HE1 HIS 73 HE1 HIS 73 74.585 -10.269 30.010 537 HE2 HIS 73 HE2 HIS 73 75.791 -9.729 27.841 538 H HIS 74 HN HIS 74 77.457 -3.360 30.494 539 HA HIS 74 HA HIS 74 77.842 -2.567 33.188 540 HB2 HIS 74 HB2 HIS 74 78.426 -1.204 30.558 541 HB3 HIS 74 HB1 HIS 74 78.845 -0.490 32.114 542 HD2 HIS 74 HD2 HIS 74 80.990 -1.755 33.468 543 HE1 HIS 74 HE1 HIS 74 81.883 -4.513 30.407 544 HE2 HIS 74 HE2 HIS 74 82.685 -3.547 32.612 545 H GLY 75 HN GLY 75 75.756 -1.368 30.599 546 HA2 GLY 75 HA2 GLY 75 74.768 0.898 32.018 547 HA3 GLY 75 HA1 GLY 75 74.027 0.158 30.600 548 H GLY 76 HN GLY 76 72.774 1.173 33.070 549 HA2 GLY 76 HA2 GLY 76 71.908 -1.044 34.662 550 HA3 GLY 76 HA1 GLY 76 71.198 0.566 34.644 551 H SER 77 HN SER 77 69.514 -1.528 34.873 552 HA SER 77 HA SER 77 68.547 -2.678 32.492 553 HB2 SER 77 HB2 SER 77 66.478 -3.090 33.782 554 HB3 SER 77 HB1 SER 77 67.917 -3.523 34.697 555 HG SER 77 HG SER 77 67.733 -1.609 35.835 556 H MET 78 HN MET 78 67.872 0.396 34.063 557 HA MET 78 HA MET 78 65.653 1.098 32.380 558 HB2 MET 78 HB2 MET 78 67.440 2.730 34.206 559 HB3 MET 78 HB1 MET 78 66.065 3.407 33.339 560 HG2 MET 78 HG2 MET 78 64.521 1.913 34.520 561 HG3 MET 78 HG1 MET 78 65.873 1.084 35.291 562 HE1 MET 78 HE1 MET 78 65.125 1.428 37.758 563 HE2 MET 78 HE2 MET 78 63.623 1.982 37.019 564 HE3 MET 78 HE3 MET 78 64.358 2.919 38.316 565 H GLY 79 HN GLY 79 65.584 2.421 30.608 566 HA2 GLY 79 HA2 GLY 79 67.875 2.418 28.898 567 HA3 GLY 79 HA1 GLY 79 66.327 3.185 28.563 568 H MET 80 HN MET 80 69.110 4.147 28.163 569 HA MET 80 HA MET 80 69.730 6.163 30.051 570 HB2 MET 80 HB2 MET 80 70.485 5.741 27.155 571 HB3 MET 80 HB1 MET 80 71.057 7.129 28.072 572 HG2 MET 80 HG2 MET 80 71.412 4.349 29.180 573 HG3 MET 80 HG1 MET 80 72.534 4.963 27.974 574 HE1 MET 80 HE1 MET 80 73.684 7.293 28.161 575 HE2 MET 80 HE2 MET 80 74.756 6.042 28.789 576 HE3 MET 80 HE3 MET 80 74.609 7.573 29.640 577 H SER 81 HN SER 81 67.829 6.185 27.069 578 HA SER 81 HA SER 81 67.384 8.989 26.998 579 HB2 SER 81 HB2 SER 81 65.549 8.425 25.438 580 HB3 SER 81 HB1 SER 81 67.047 7.593 25.026 581 HG SER 81 HG SER 81 64.922 6.511 26.573 582 H GLY 82 HN GLY 82 65.688 6.307 28.528 583 HA2 GLY 82 HA2 GLY 82 63.352 7.725 29.280 584 HA3 GLY 82 HA1 GLY 82 63.936 6.239 30.020 585 H SER 83 HN SER 83 62.761 8.617 31.277 586 HA SER 83 HA SER 83 64.719 10.187 32.576 587 HB2 SER 83 HB2 SER 83 62.902 10.738 34.160 588 HB3 SER 83 HB1 SER 83 62.371 10.858 32.485 589 HG SER 83 HG SER 83 61.209 9.052 32.714 590 H GLY 84 HN GLY 84 63.243 7.088 33.358 591 HA2 GLY 84 HA2 GLY 84 63.960 5.417 34.780 592 HA3 GLY 84 HA1 GLY 84 65.399 6.374 35.117 593 H THR 85 HN THR 85 62.653 8.251 35.537 594 HA THR 85 HA THR 85 63.006 8.363 38.395 595 HB THR 85 HB THR 85 60.999 9.934 38.229 596 HG1 THR 85 HG1 THR 85 60.123 9.184 36.324 597 HG21 THR 85 HG21 THR 85 62.388 11.648 36.874 598 HG22 THR 85 HG22 THR 85 63.595 10.373 36.754 599 HG23 THR 85 HG23 THR 85 63.113 10.984 38.336 600 H GLY 86 HN GLY 86 61.181 8.140 39.910 601 HA2 GLY 86 HA2 GLY 86 60.028 5.564 39.792 602 HA3 GLY 86 HA1 GLY 86 59.611 6.821 40.952 603 H TYR 87 HN TYR 87 58.693 8.784 39.171 604 HA TYR 87 HA TYR 87 56.008 7.938 38.780 605 HB2 TYR 87 HB2 TYR 87 56.624 10.259 39.302 606 HB3 TYR 87 HB1 TYR 87 57.461 10.387 37.767 607 HD1 TYR 87 HD1 TYR 87 54.103 9.854 39.331 608 HD2 TYR 87 HD2 TYR 87 56.212 10.791 35.687 609 HE1 TYR 87 HE1 TYR 87 51.968 10.439 38.229 610 HE2 TYR 87 HE2 TYR 87 54.074 11.370 34.605 611 HH TYR 87 HH TYR 87 51.417 10.505 35.215 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 73.127 -2.408 45.350 2 H2 MET 1 HT2 MET 1 74.020 -1.482 46.458 3 H3 MET 1 HT3 MET 1 72.948 -2.677 47.014 4 HA MET 1 HA MET 1 75.674 -2.921 46.258 5 HB2 MET 1 HB2 MET 1 73.573 -4.716 47.508 6 HB3 MET 1 HB1 MET 1 75.234 -5.242 47.233 7 HG2 MET 1 HG2 MET 1 76.111 -3.750 48.812 8 HG3 MET 1 HG1 MET 1 74.748 -2.649 48.684 9 HE1 MET 1 HE1 MET 1 74.744 -6.705 50.898 10 HE2 MET 1 HE2 MET 1 75.889 -6.177 49.673 11 HE3 MET 1 HE3 MET 1 74.270 -6.683 49.198 12 H GLY 2 HN GLY 2 75.903 -2.957 44.025 13 HA2 GLY 2 HA2 GLY 2 76.146 -4.031 41.995 14 HA3 GLY 2 HA1 GLY 2 75.474 -5.481 42.735 15 H ALA 3 HN ALA 3 73.684 -2.542 42.988 16 HA ALA 3 HA ALA 3 72.089 -2.890 40.594 17 HB1 ALA 3 HB1 ALA 3 71.138 -4.689 41.919 18 HB2 ALA 3 HB2 ALA 3 69.980 -3.366 41.829 19 HB3 ALA 3 HB3 ALA 3 70.929 -3.610 43.297 20 HA PRO 4 HA PRO 4 72.223 1.364 42.720 21 HB2 PRO 4 HB2 PRO 4 72.486 2.336 39.950 22 HB3 PRO 4 HB1 PRO 4 73.439 2.743 41.386 23 HG2 PRO 4 HG2 PRO 4 74.365 1.220 39.361 24 HG3 PRO 4 HG1 PRO 4 74.929 1.095 41.033 25 HD2 PRO 4 HD2 PRO 4 73.188 -0.756 39.499 26 HD3 PRO 4 HD1 PRO 4 74.265 -1.071 40.875 27 H VAL 5 HN VAL 5 70.475 2.630 42.959 28 HA VAL 5 HA VAL 5 68.040 1.975 41.552 29 HB VAL 5 HB VAL 5 67.996 4.308 43.394 30 HG11 VAL 5 HG11 VAL 5 65.950 3.160 42.440 31 HG12 VAL 5 HG12 VAL 5 65.977 3.333 44.190 32 HG13 VAL 5 HG13 VAL 5 66.345 1.772 43.464 33 HG21 VAL 5 HG21 VAL 5 68.748 1.533 44.374 34 HG22 VAL 5 HG22 VAL 5 68.006 2.753 45.403 35 HG23 VAL 5 HG23 VAL 5 69.586 3.057 44.697 36 HA PRO 6 HA PRO 6 68.525 6.691 40.184 37 HB2 PRO 6 HB2 PRO 6 71.424 6.687 39.549 38 HB3 PRO 6 HB1 PRO 6 70.420 7.974 40.242 39 HG2 PRO 6 HG2 PRO 6 72.160 6.620 41.713 40 HG3 PRO 6 HG1 PRO 6 70.604 7.152 42.371 41 HD2 PRO 6 HD2 PRO 6 71.461 4.437 41.487 42 HD3 PRO 6 HD1 PRO 6 70.430 4.898 42.851 43 H TYR 7 HN TYR 7 70.609 4.115 39.017 44 HA TYR 7 HA TYR 7 69.369 4.167 36.366 45 HB2 TYR 7 HB2 TYR 7 71.153 5.810 36.133 46 HB3 TYR 7 HB1 TYR 7 72.322 4.687 36.784 47 HD1 TYR 7 HD1 TYR 7 69.843 5.125 34.008 48 HD2 TYR 7 HD2 TYR 7 73.499 3.184 35.217 49 HE1 TYR 7 HE1 TYR 7 70.161 4.262 31.714 50 HE2 TYR 7 HE2 TYR 7 73.805 2.340 32.930 51 HH TYR 7 HH TYR 7 72.904 2.136 30.911 52 HA PRO 8 HA PRO 8 70.565 -0.128 37.936 53 HB2 PRO 8 HB2 PRO 8 68.208 -0.895 36.277 54 HB3 PRO 8 HB1 PRO 8 68.663 -1.418 37.911 55 HG2 PRO 8 HG2 PRO 8 66.682 0.258 37.543 56 HG3 PRO 8 HG1 PRO 8 67.815 0.466 38.887 57 HD2 PRO 8 HD2 PRO 8 67.702 1.969 36.277 58 HD3 PRO 8 HD1 PRO 8 67.978 2.587 37.925 59 H ASP 9 HN ASP 9 70.240 -2.247 36.305 60 HA ASP 9 HA ASP 9 72.261 -1.814 34.306 61 HB2 ASP 9 HB2 ASP 9 70.986 -4.381 33.996 62 HB3 ASP 9 HB1 ASP 9 72.613 -4.015 34.556 63 HA PRO 10 HA PRO 10 69.488 -1.240 30.805 64 HB2 PRO 10 HB2 PRO 10 70.696 -2.448 28.692 65 HB3 PRO 10 HB1 PRO 10 71.308 -0.955 29.428 66 HG2 PRO 10 HG2 PRO 10 72.277 -3.743 29.719 67 HG3 PRO 10 HG1 PRO 10 73.187 -2.225 29.658 68 HD2 PRO 10 HD2 PRO 10 72.611 -3.606 31.981 69 HD3 PRO 10 HD1 PRO 10 73.008 -1.876 31.894 70 H LEU 11 HN LEU 11 69.909 -4.271 32.106 71 HA LEU 11 HA LEU 11 68.462 -5.916 30.270 72 HB2 LEU 11 HB2 LEU 11 68.925 -6.213 33.249 73 HB3 LEU 11 HB1 LEU 11 68.285 -7.478 32.221 74 HG LEU 11 HG LEU 11 71.062 -6.203 31.943 75 HD11 LEU 11 HD11 LEU 11 71.901 -8.436 32.700 76 HD12 LEU 11 HD12 LEU 11 70.248 -8.878 33.113 77 HD13 LEU 11 HD13 LEU 11 71.039 -7.539 33.947 78 HD21 LEU 11 HD21 LEU 11 69.646 -8.275 30.284 79 HD22 LEU 11 HD22 LEU 11 71.360 -8.487 30.598 80 HD23 LEU 11 HD23 LEU 11 70.791 -7.026 29.803 81 H GLU 12 HN GLU 12 67.546 -4.111 33.164 82 HA GLU 12 HA GLU 12 64.898 -4.971 33.370 83 HB2 GLU 12 HB2 GLU 12 66.466 -2.702 34.421 84 HB3 GLU 12 HB1 GLU 12 64.753 -2.346 34.249 85 HG2 GLU 12 HG2 GLU 12 65.704 -4.844 35.706 86 HG3 GLU 12 HG1 GLU 12 65.577 -3.289 36.503 87 HA PRO 13 HA PRO 13 63.247 -1.259 30.717 88 HB2 PRO 13 HB2 PRO 13 65.070 -0.260 28.857 89 HB3 PRO 13 HB1 PRO 13 64.596 0.547 30.364 90 HG2 PRO 13 HG2 PRO 13 66.994 -1.107 29.771 91 HG3 PRO 13 HG1 PRO 13 66.849 0.370 30.742 92 HD2 PRO 13 HD2 PRO 13 67.057 -1.994 31.925 93 HD3 PRO 13 HD1 PRO 13 65.991 -0.761 32.588 94 H ARG 14 HN ARG 14 62.164 -1.739 28.861 95 HA ARG 14 HA ARG 14 62.727 -4.223 27.557 96 HB2 ARG 14 HB2 ARG 14 60.710 -2.032 26.983 97 HB3 ARG 14 HB1 ARG 14 60.766 -3.561 26.109 98 HG2 ARG 14 HG2 ARG 14 60.332 -4.817 28.190 99 HG3 ARG 14 HG1 ARG 14 60.388 -3.327 29.127 100 HD2 ARG 14 HD2 ARG 14 58.375 -2.505 27.959 101 HD3 ARG 14 HD1 ARG 14 58.344 -3.962 26.965 102 HE ARG 14 HE ARG 14 58.352 -4.736 29.667 103 HH11 ARG 14 HH21 ARG 14 56.370 -3.076 27.369 104 HH12 ARG 14 HH22 ARG 14 54.877 -3.531 28.123 105 HH21 ARG 14 HH11 ARG 14 56.409 -5.319 30.672 106 HH22 ARG 14 HH12 ARG 14 54.902 -4.801 29.993 107 H GLY 15 HN GLY 15 63.435 -4.631 25.497 108 HA2 GLY 15 HA2 GLY 15 65.236 -2.718 24.345 109 HA3 GLY 15 HA1 GLY 15 64.850 -4.309 23.700 110 H GLY 16 HN GLY 16 64.225 -4.040 21.650 111 HA2 GLY 16 HA2 GLY 16 62.871 -3.444 19.874 112 HA3 GLY 16 HA1 GLY 16 61.818 -2.612 21.009 113 H LYS 17 HN LYS 17 65.172 -1.809 21.067 114 HA LYS 17 HA LYS 17 64.657 0.918 20.433 115 HB2 LYS 17 HB2 LYS 17 67.356 -0.463 20.320 116 HB3 LYS 17 HB1 LYS 17 67.042 1.231 20.633 117 HG2 LYS 17 HG2 LYS 17 66.458 -1.119 22.487 118 HG3 LYS 17 HG1 LYS 17 67.658 0.132 22.715 119 HD2 LYS 17 HD2 LYS 17 65.661 1.803 22.746 120 HD3 LYS 17 HD1 LYS 17 64.646 0.376 22.954 121 HE2 LYS 17 HE2 LYS 17 66.142 -0.243 24.921 122 HE3 LYS 17 HE1 LYS 17 66.794 1.392 24.810 123 HZ1 LYS 17 HZ1 LYS 17 65.047 2.090 25.947 124 HZ2 LYS 17 HZ2 LYS 17 64.355 0.538 25.940 125 HZ3 LYS 17 HZ3 LYS 17 64.034 1.618 24.670 126 H HIS 18 HN HIS 18 66.322 -1.674 18.686 127 HA HIS 18 HA HIS 18 66.977 -0.392 16.392 128 HB2 HIS 18 HB2 HIS 18 66.952 -3.030 17.178 129 HB3 HIS 18 HB1 HIS 18 65.836 -3.047 15.825 130 HD2 HIS 18 HD2 HIS 18 67.597 -0.874 13.922 131 HE1 HIS 18 HE1 HIS 18 70.608 -3.798 14.257 132 H ILE 19 HN ILE 19 63.762 -1.192 17.335 133 HA ILE 19 HA ILE 19 62.656 -0.502 14.674 134 HB ILE 19 HB ILE 19 61.449 -2.083 16.960 135 HG12 ILE 19 HG12 ILE 19 61.662 -3.046 14.117 136 HG13 ILE 19 HG11 ILE 19 63.110 -3.084 15.108 137 HG21 ILE 19 HG21 ILE 19 59.580 -2.404 15.083 138 HG22 ILE 19 HG22 ILE 19 60.128 -0.830 14.539 139 HG23 ILE 19 HG23 ILE 19 59.509 -1.037 16.182 140 HD11 ILE 19 HD11 ILE 19 62.111 -4.584 16.687 141 HD12 ILE 19 HD12 ILE 19 61.703 -5.215 15.093 142 HD13 ILE 19 HD13 ILE 19 60.497 -4.326 16.018 143 H CYS 20 HN CYS 20 62.045 1.534 14.523 144 HA CYS 20 HA CYS 20 61.480 3.164 16.851 145 HB2 CYS 20 HB2 CYS 20 62.524 4.195 14.919 146 HB3 CYS 20 HB1 CYS 20 61.215 3.684 13.890 147 H ALA 21 HN ALA 21 59.415 4.096 17.365 148 HA ALA 21 HA ALA 21 57.218 2.250 17.063 149 HB1 ALA 21 HB1 ALA 21 56.006 3.898 18.457 150 HB2 ALA 21 HB2 ALA 21 57.381 4.993 18.326 151 HB3 ALA 21 HB3 ALA 21 57.561 3.449 19.158 152 H ILE 22 HN ILE 22 58.375 4.920 15.345 153 HA ILE 22 HA ILE 22 55.828 5.413 13.930 154 HB ILE 22 HB ILE 22 58.207 7.213 14.456 155 HG12 ILE 22 HG12 ILE 22 55.350 7.937 15.049 156 HG13 ILE 22 HG11 ILE 22 56.145 6.815 16.137 157 HG21 ILE 22 HG21 ILE 22 57.655 7.994 12.312 158 HG22 ILE 22 HG22 ILE 22 56.561 8.950 13.286 159 HG23 ILE 22 HG23 ILE 22 55.962 7.525 12.456 160 HD11 ILE 22 HD11 ILE 22 57.361 9.491 15.401 161 HD12 ILE 22 HD12 ILE 22 57.825 8.420 16.727 162 HD13 ILE 22 HD13 ILE 22 56.286 9.275 16.779 163 H CYS 23 HN CYS 23 59.176 6.176 13.033 164 HA CYS 23 HA CYS 23 58.860 5.607 10.334 165 HB2 CYS 23 HB2 CYS 23 61.532 5.416 11.614 166 HB3 CYS 23 HB1 CYS 23 61.070 6.218 10.118 167 H GLY 24 HN GLY 24 59.172 3.428 12.866 168 HA2 GLY 24 HA2 GLY 24 59.170 1.127 12.798 169 HA3 GLY 24 HA1 GLY 24 59.354 1.196 11.066 170 H ASN 25 HN ASN 25 61.913 3.049 11.697 171 HA ASN 25 HA ASN 25 63.719 1.188 12.944 172 HB2 ASN 25 HB2 ASN 25 63.178 0.871 10.093 173 HB3 ASN 25 HB1 ASN 25 64.881 1.093 10.393 174 HD21 ASN 25 HD21 ASN 25 62.407 -1.214 10.375 175 HD22 ASN 25 HD22 ASN 25 63.202 -2.431 11.251 176 H ASN 26 HN ASN 26 63.179 4.269 12.626 177 HA ASN 26 HA ASN 26 65.958 5.147 11.952 178 HB2 ASN 26 HB2 ASN 26 63.495 6.803 12.402 179 HB3 ASN 26 HB1 ASN 26 65.087 7.450 12.082 180 HD21 ASN 26 HD21 ASN 26 65.291 8.043 9.955 181 HD22 ASN 26 HD22 ASN 26 64.662 7.185 8.632 182 H ALA 27 HN ALA 27 64.702 3.885 14.520 183 HA ALA 27 HA ALA 27 65.517 5.747 16.608 184 HB1 ALA 27 HB1 ALA 27 64.892 3.661 18.064 185 HB2 ALA 27 HB2 ALA 27 64.210 3.037 16.556 186 HB3 ALA 27 HB3 ALA 27 63.626 4.551 17.235 187 H GLU 28 HN GLU 28 67.678 5.711 15.447 188 HA GLU 28 HA GLU 28 69.521 3.854 16.815 189 HB2 GLU 28 HB2 GLU 28 69.828 4.602 13.893 190 HB3 GLU 28 HB1 GLU 28 70.826 3.483 14.817 191 HG2 GLU 28 HG2 GLU 28 68.541 2.194 15.143 192 HG3 GLU 28 HG1 GLU 28 68.062 3.106 13.718 193 H ASP 29 HN ASP 29 69.042 6.829 14.953 194 HA ASP 29 HA ASP 29 70.814 8.280 16.746 195 HB2 ASP 29 HB2 ASP 29 71.811 7.312 14.147 196 HB3 ASP 29 HB1 ASP 29 72.116 9.014 14.483 197 H TYR 30 HN TYR 30 69.769 8.698 13.333 198 HA TYR 30 HA TYR 30 69.120 11.470 13.788 199 HB2 TYR 30 HB2 TYR 30 68.764 9.641 11.410 200 HB3 TYR 30 HB1 TYR 30 68.416 11.358 11.398 201 HD1 TYR 30 HD1 TYR 30 70.259 13.033 11.834 202 HD2 TYR 30 HD2 TYR 30 71.111 8.841 11.311 203 HE1 TYR 30 HE1 TYR 30 72.628 13.564 11.409 204 HE2 TYR 30 HE2 TYR 30 73.481 9.388 10.893 205 HH TYR 30 HH TYR 30 74.667 12.741 11.047 206 H LYS 31 HN LYS 31 67.123 12.364 13.920 207 HA LYS 31 HA LYS 31 64.750 10.589 13.974 208 HB2 LYS 31 HB2 LYS 31 65.408 12.887 15.846 209 HB3 LYS 31 HB1 LYS 31 63.881 12.013 15.833 210 HG2 LYS 31 HG2 LYS 31 65.065 9.906 16.419 211 HG3 LYS 31 HG1 LYS 31 66.596 10.775 16.443 212 HD2 LYS 31 HD2 LYS 31 65.760 12.205 18.302 213 HD3 LYS 31 HD1 LYS 31 64.225 11.341 18.278 214 HE2 LYS 31 HE2 LYS 31 65.397 9.242 18.882 215 HE3 LYS 31 HE1 LYS 31 66.932 10.112 18.911 216 HZ1 LYS 31 HZ1 LYS 31 64.970 11.454 20.456 217 HZ2 LYS 31 HZ2 LYS 31 66.496 10.871 20.924 218 HZ3 LYS 31 HZ3 LYS 31 65.140 9.848 20.975 219 H HIS 32 HN HIS 32 65.631 11.890 11.714 220 HA HIS 32 HA HIS 32 64.202 14.410 11.432 221 HB2 HIS 32 HB2 HIS 32 65.881 12.708 9.677 222 HB3 HIS 32 HB1 HIS 32 64.728 13.797 8.907 223 HD2 HIS 32 HD2 HIS 32 68.207 13.970 10.487 224 HE1 HIS 32 HE1 HIS 32 66.811 17.951 10.305 225 HE2 HIS 32 HE2 HIS 32 68.848 16.493 10.723 226 H THR 33 HN THR 33 63.637 11.054 10.570 227 HA THR 33 HA THR 33 61.266 11.609 9.001 228 HB THR 33 HB THR 33 61.026 9.079 9.161 229 HG1 THR 33 HG1 THR 33 62.356 8.060 10.405 230 HG21 THR 33 HG21 THR 33 62.040 9.886 7.179 231 HG22 THR 33 HG22 THR 33 63.193 8.711 7.804 232 HG23 THR 33 HG23 THR 33 63.483 10.432 8.030 233 H ASP 34 HN ASP 34 61.956 11.377 12.311 234 HA ASP 34 HA ASP 34 59.573 10.136 13.243 235 HB2 ASP 34 HB2 ASP 34 61.614 11.939 14.501 236 HB3 ASP 34 HB1 ASP 34 60.128 11.585 15.364 237 H MET 35 HN MET 35 60.356 13.407 12.324 238 HA MET 35 HA MET 35 57.965 14.601 13.379 239 HB2 MET 35 HB2 MET 35 59.961 15.536 11.295 240 HB3 MET 35 HB1 MET 35 58.600 16.510 11.839 241 HG2 MET 35 HG2 MET 35 59.467 16.552 14.120 242 HG3 MET 35 HG1 MET 35 60.728 15.399 13.705 243 HE1 MET 35 HE1 MET 35 60.103 19.070 14.355 244 HE2 MET 35 HE2 MET 35 59.160 18.838 12.883 245 HE3 MET 35 HE3 MET 35 60.570 19.888 12.860 246 H ASP 36 HN ASP 36 55.998 14.751 12.528 247 HA ASP 36 HA ASP 36 55.362 13.311 10.075 248 HB2 ASP 36 HB2 ASP 36 53.917 13.003 11.987 249 HB3 ASP 36 HB1 ASP 36 53.648 14.739 12.116 250 H LEU 37 HN LEU 37 56.212 14.564 8.428 251 HA LEU 37 HA LEU 37 55.619 17.381 8.136 252 HB2 LEU 37 HB2 LEU 37 56.569 15.487 5.978 253 HB3 LEU 37 HB1 LEU 37 56.789 17.225 6.037 254 HG LEU 37 HG LEU 37 58.147 15.145 7.817 255 HD11 LEU 37 HD11 LEU 37 59.369 17.126 5.879 256 HD12 LEU 37 HD12 LEU 37 59.102 15.420 5.528 257 HD13 LEU 37 HD13 LEU 37 60.217 15.893 6.806 258 HD21 LEU 37 HD21 LEU 37 57.917 16.957 9.315 259 HD22 LEU 37 HD22 LEU 37 58.116 18.163 8.041 260 HD23 LEU 37 HD23 LEU 37 59.497 17.226 8.592 261 H THR 38 HN THR 38 54.261 18.328 6.641 262 HA THR 38 HA THR 38 51.737 17.091 6.302 263 HB THR 38 HB THR 38 51.332 19.057 4.720 264 HG1 THR 38 HG1 THR 38 53.500 19.343 4.131 265 HG21 THR 38 HG21 THR 38 50.594 19.382 6.934 266 HG22 THR 38 HG22 THR 38 51.668 20.752 6.653 267 HG23 THR 38 HG23 THR 38 52.233 19.369 7.584 268 H TYR 39 HN TYR 39 54.419 17.663 4.054 269 HA TYR 39 HA TYR 39 53.098 16.497 1.786 270 HB2 TYR 39 HB2 TYR 39 54.876 18.198 1.566 271 HB3 TYR 39 HB1 TYR 39 56.030 17.085 2.274 272 HD1 TYR 39 HD2 TYR 39 53.651 17.513 -0.582 273 HD2 TYR 39 HD1 TYR 39 57.144 15.419 0.838 274 HE1 TYR 39 HE2 TYR 39 54.005 16.550 -2.824 275 HE2 TYR 39 HE1 TYR 39 57.482 14.472 -1.404 276 HH TYR 39 HH TYR 39 56.763 14.386 -3.490 277 H THR 40 HN THR 40 53.218 14.420 1.001 278 HA THR 40 HA THR 40 53.790 12.320 2.802 279 HB THR 40 HB THR 40 53.770 11.881 -0.174 280 HG1 THR 40 HG1 THR 40 51.763 12.982 1.420 281 HG21 THR 40 HG21 THR 40 53.868 10.004 1.607 282 HG22 THR 40 HG22 THR 40 52.634 9.869 0.360 283 HG23 THR 40 HG23 THR 40 52.195 10.438 1.970 284 H ASP 41 HN ASP 41 55.629 11.346 3.309 285 HA ASP 41 HA ASP 41 58.140 12.146 2.099 286 HB2 ASP 41 HB2 ASP 41 57.914 11.812 4.534 287 HB3 ASP 41 HB1 ASP 41 57.547 10.111 4.258 288 H ARG 42 HN ARG 42 58.906 11.207 0.304 289 HA ARG 42 HA ARG 42 57.896 8.740 -0.724 290 HB2 ARG 42 HB2 ARG 42 59.001 10.769 -1.962 291 HB3 ARG 42 HB1 ARG 42 60.517 9.963 -1.575 292 HG2 ARG 42 HG2 ARG 42 59.569 7.864 -2.698 293 HG3 ARG 42 HG1 ARG 42 58.227 8.859 -3.255 294 HD2 ARG 42 HD2 ARG 42 59.820 8.778 -5.038 295 HD3 ARG 42 HD1 ARG 42 59.922 10.391 -4.341 296 HE ARG 42 HE ARG 42 61.807 8.689 -3.076 297 HH11 ARG 42 HH21 ARG 42 61.146 10.266 -6.082 298 HH12 ARG 42 HH22 ARG 42 62.814 10.410 -6.525 299 HH21 ARG 42 HH11 ARG 42 63.987 8.880 -3.647 300 HH22 ARG 42 HH12 ARG 42 64.420 9.626 -5.148 301 H ASP 43 HN ASP 43 58.829 6.712 -0.736 302 HA ASP 43 HA ASP 43 60.389 5.968 1.500 303 HB2 ASP 43 HB2 ASP 43 59.844 4.479 -1.081 304 HB3 ASP 43 HB1 ASP 43 60.519 3.760 0.381 305 H TYR 44 HN TYR 44 62.543 5.585 1.749 306 HA TYR 44 HA TYR 44 64.365 6.885 -0.048 307 HB2 TYR 44 HB2 TYR 44 64.851 5.094 2.341 308 HB3 TYR 44 HB1 TYR 44 66.098 5.987 1.497 309 HD1 TYR 44 HD1 TYR 44 63.131 6.291 3.706 310 HD2 TYR 44 HD2 TYR 44 66.219 8.478 1.638 311 HE1 TYR 44 HE1 TYR 44 62.603 8.304 5.028 312 HE2 TYR 44 HE2 TYR 44 65.679 10.485 2.969 313 HH TYR 44 HH TYR 44 64.491 10.759 5.488 314 H LYS 45 HN LYS 45 65.734 6.022 -1.531 315 HA LYS 45 HA LYS 45 66.147 3.156 -1.762 316 HB2 LYS 45 HB2 LYS 45 63.973 3.853 -3.062 317 HB3 LYS 45 HB1 LYS 45 65.090 4.597 -4.198 318 HG2 LYS 45 HG2 LYS 45 66.205 2.403 -4.556 319 HG3 LYS 45 HG1 LYS 45 65.108 1.645 -3.406 320 HD2 LYS 45 HD2 LYS 45 63.174 2.203 -4.860 321 HD3 LYS 45 HD1 LYS 45 64.259 2.962 -6.018 322 HE2 LYS 45 HE2 LYS 45 65.385 0.786 -6.392 323 HE3 LYS 45 HE1 LYS 45 64.307 0.026 -5.222 324 HZ1 LYS 45 HZ1 LYS 45 63.457 1.384 -7.719 325 HZ2 LYS 45 HZ2 LYS 45 62.429 0.632 -6.594 326 HZ3 LYS 45 HZ3 LYS 45 63.541 -0.293 -7.484 327 H ASN 46 HN ASN 46 68.062 2.679 -2.626 328 HA ASN 46 HA ASN 46 69.546 4.567 -4.283 329 HB2 ASN 46 HB2 ASN 46 70.446 3.754 -1.510 330 HB3 ASN 46 HB1 ASN 46 71.546 4.380 -2.734 331 HD21 ASN 46 HD21 ASN 46 69.826 5.380 -0.090 332 HD22 ASN 46 HD22 ASN 46 69.559 7.000 -0.517 333 H CYS 47 HN CYS 47 70.916 3.554 -5.634 334 HA CYS 47 HA CYS 47 70.723 0.751 -5.974 335 HB2 CYS 47 HB2 CYS 47 72.665 2.768 -7.121 336 HB3 CYS 47 HB1 CYS 47 72.557 1.087 -7.648 337 HG CYS 47 HG CYS 47 70.252 3.172 -8.003 338 H GLU 48 HN GLU 48 73.126 2.821 -4.436 339 HA GLU 48 HA GLU 48 75.150 0.892 -4.094 340 HB2 GLU 48 HB2 GLU 48 75.154 3.496 -3.688 341 HB3 GLU 48 HB1 GLU 48 74.637 3.057 -2.063 342 HG2 GLU 48 HG2 GLU 48 76.675 1.524 -1.943 343 HG3 GLU 48 HG1 GLU 48 77.213 2.243 -3.458 344 H SER 49 HN SER 49 75.596 -0.550 -2.478 345 HA SER 49 HA SER 49 74.006 -0.753 -0.081 346 HB2 SER 49 HB2 SER 49 73.185 -3.064 -0.614 347 HB3 SER 49 HB1 SER 49 72.412 -1.793 -1.556 348 HG SER 49 HG SER 49 74.176 -3.795 -2.326 349 H TYR 50 HN TYR 50 74.673 -2.573 1.264 350 HA TYR 50 HA TYR 50 77.102 -4.011 0.628 351 HB2 TYR 50 HB2 TYR 50 77.960 -1.767 1.325 352 HB3 TYR 50 HB1 TYR 50 77.142 -1.965 2.858 353 HD1 TYR 50 HD2 TYR 50 79.749 -3.441 0.623 354 HD2 TYR 50 HD1 TYR 50 78.166 -3.340 4.635 355 HE1 TYR 50 HE2 TYR 50 81.700 -4.719 1.442 356 HE2 TYR 50 HE1 TYR 50 80.116 -4.608 5.430 357 HH TYR 50 HH TYR 50 82.268 -5.220 4.865 358 H HIS 51 HN HIS 51 77.219 -5.795 1.733 359 HA HIS 51 HA HIS 51 76.196 -7.663 2.783 360 HB2 HIS 51 HB2 HIS 51 77.133 -5.744 4.901 361 HB3 HIS 51 HB1 HIS 51 76.509 -7.335 5.318 362 HD2 HIS 51 HD2 HIS 51 78.888 -8.657 5.858 363 HE1 HIS 51 HE1 HIS 51 80.830 -7.816 2.205 364 HE2 HIS 51 HE2 HIS 51 80.985 -9.125 4.380 365 H LYS 52 HN LYS 52 73.994 -7.472 2.054 366 HA LYS 52 HA LYS 52 72.047 -5.953 3.508 367 HB2 LYS 52 HB2 LYS 52 71.727 -8.188 1.498 368 HB3 LYS 52 HB1 LYS 52 70.418 -7.182 2.104 369 HG2 LYS 52 HG2 LYS 52 71.495 -5.162 1.151 370 HG3 LYS 52 HG1 LYS 52 72.832 -6.146 0.564 371 HD2 LYS 52 HD2 LYS 52 71.263 -7.404 -0.906 372 HD3 LYS 52 HD1 LYS 52 69.924 -6.422 -0.316 373 HE2 LYS 52 HE2 LYS 52 71.003 -4.396 -1.254 374 HE3 LYS 52 HE1 LYS 52 72.344 -5.384 -1.837 375 HZ1 LYS 52 HZ1 LYS 52 70.568 -6.719 -3.021 376 HZ2 LYS 52 HZ2 LYS 52 70.918 -5.178 -3.643 377 HZ3 LYS 52 HZ3 LYS 52 69.522 -5.422 -2.706 378 H CYS 53 HN CYS 53 72.904 -6.942 5.592 379 HA CYS 53 HA CYS 53 72.034 -9.612 6.269 380 HB2 CYS 53 HB2 CYS 53 73.146 -7.342 7.930 381 HB3 CYS 53 HB1 CYS 53 72.793 -8.953 8.558 382 HG CYS 53 HG CYS 53 74.651 -9.929 7.058 383 H SER 54 HN SER 54 71.249 -6.564 7.970 384 HA SER 54 HA SER 54 68.588 -7.577 8.663 385 HB2 SER 54 HB2 SER 54 70.236 -5.286 9.715 386 HB3 SER 54 HB1 SER 54 68.589 -5.645 10.222 387 HG SER 54 HG SER 54 69.276 -7.583 11.038 388 H ASP 55 HN ASP 55 67.792 -7.248 6.550 389 HA ASP 55 HA ASP 55 67.738 -4.821 5.144 390 HB2 ASP 55 HB2 ASP 55 65.542 -6.902 5.174 391 HB3 ASP 55 HB1 ASP 55 65.914 -5.764 3.881 392 H LEU 56 HN LEU 56 66.014 -5.828 7.971 393 HA LEU 56 HA LEU 56 63.762 -4.107 7.792 394 HB2 LEU 56 HB2 LEU 56 65.180 -4.877 10.358 395 HB3 LEU 56 HB1 LEU 56 63.488 -4.465 10.167 396 HG LEU 56 HG LEU 56 64.881 -7.003 9.183 397 HD11 LEU 56 HD11 LEU 56 64.300 -6.921 11.620 398 HD12 LEU 56 HD12 LEU 56 63.443 -8.176 10.734 399 HD13 LEU 56 HD13 LEU 56 62.610 -6.689 11.169 400 HD21 LEU 56 HD21 LEU 56 62.428 -7.691 8.662 401 HD22 LEU 56 HD22 LEU 56 63.263 -6.674 7.497 402 HD23 LEU 56 HD23 LEU 56 62.096 -5.963 8.611 403 H CYS 57 HN CYS 57 66.975 -3.723 9.282 404 HA CYS 57 HA CYS 57 66.510 -0.854 9.761 405 HB2 CYS 57 HB2 CYS 57 67.435 -1.991 11.577 406 HB3 CYS 57 HB1 CYS 57 68.614 -2.829 10.610 407 H GLN 58 HN GLN 58 66.915 0.434 8.085 408 HA GLN 58 HA GLN 58 68.364 -0.377 5.806 409 HB2 GLN 58 HB2 GLN 58 68.277 2.201 5.319 410 HB3 GLN 58 HB1 GLN 58 66.810 1.231 5.271 411 HG2 GLN 58 HG2 GLN 58 66.055 2.052 7.356 412 HG3 GLN 58 HG1 GLN 58 67.659 2.626 7.815 413 HE21 GLN 58 HE21 GLN 58 67.029 4.849 8.094 414 HE22 GLN 58 HE22 GLN 58 66.536 5.818 6.791 415 H TYR 59 HN TYR 59 69.338 1.574 8.582 416 HA TYR 59 HA TYR 59 71.789 2.475 7.471 417 HB2 TYR 59 HB2 TYR 59 70.302 2.821 9.873 418 HB3 TYR 59 HB1 TYR 59 71.961 2.457 10.293 419 HD1 TYR 59 HD1 TYR 59 69.739 4.800 8.445 420 HD2 TYR 59 HD2 TYR 59 73.797 4.020 9.666 421 HE1 TYR 59 HE1 TYR 59 70.379 7.096 7.810 422 HE2 TYR 59 HE2 TYR 59 74.424 6.317 9.024 423 HH TYR 59 HH TYR 59 72.592 8.260 7.092 424 H CYS 60 HN CYS 60 70.887 -0.430 9.227 425 HA CYS 60 HA CYS 60 73.388 -1.229 10.150 426 HB2 CYS 60 HB2 CYS 60 70.848 -2.538 9.511 427 HB3 CYS 60 HB1 CYS 60 72.243 -3.580 9.565 428 H ARG 61 HN ARG 61 72.005 -1.254 6.967 429 HA ARG 61 HA ARG 61 73.564 -3.274 5.779 430 HB2 ARG 61 HB2 ARG 61 72.425 -0.728 4.593 431 HB3 ARG 61 HB1 ARG 61 73.112 -2.036 3.644 432 HG2 ARG 61 HG2 ARG 61 71.404 -3.597 4.428 433 HG3 ARG 61 HG1 ARG 61 70.770 -2.410 5.555 434 HD2 ARG 61 HD2 ARG 61 70.028 -0.997 3.719 435 HD3 ARG 61 HD1 ARG 61 70.764 -2.081 2.538 436 HE ARG 61 HE ARG 61 69.017 -3.618 4.077 437 HH11 ARG 61 HH21 ARG 61 68.900 -0.910 1.933 438 HH12 ARG 61 HH22 ARG 61 67.307 -1.262 1.353 439 HH21 ARG 61 HH11 ARG 61 66.936 -4.094 3.322 440 HH22 ARG 61 HH12 ARG 61 66.194 -3.068 2.142 441 H TYR 62 HN TYR 62 74.210 0.184 6.187 442 HA TYR 62 HA TYR 62 76.779 0.045 4.818 443 HB2 TYR 62 HB2 TYR 62 75.379 2.307 6.243 444 HB3 TYR 62 HB1 TYR 62 76.888 2.457 5.366 445 HD1 TYR 62 HD1 TYR 62 73.248 1.779 5.022 446 HD2 TYR 62 HD2 TYR 62 76.953 2.344 2.879 447 HE1 TYR 62 HE1 TYR 62 72.003 2.016 2.906 448 HE2 TYR 62 HE2 TYR 62 75.692 2.562 0.778 449 HH TYR 62 HH TYR 62 72.398 1.751 0.498 450 H GLN 63 HN GLN 63 75.634 0.905 8.062 451 HA GLN 63 HA GLN 63 78.203 0.036 9.261 452 HB2 GLN 63 HB2 GLN 63 76.693 2.605 9.832 453 HB3 GLN 63 HB1 GLN 63 77.986 1.978 10.848 454 HG2 GLN 63 HG2 GLN 63 79.583 2.181 8.978 455 HG3 GLN 63 HG1 GLN 63 78.291 2.743 7.922 456 HE21 GLN 63 HE21 GLN 63 80.066 4.603 7.886 457 HE22 GLN 63 HE22 GLN 63 79.803 5.857 8.999 458 H LYS 64 HN LYS 64 77.802 -1.497 10.656 459 HA LYS 64 HA LYS 64 75.264 -2.265 11.594 460 HB2 LYS 64 HB2 LYS 64 77.929 -2.776 12.930 461 HB3 LYS 64 HB1 LYS 64 76.457 -3.675 13.223 462 HG2 LYS 64 HG2 LYS 64 78.032 -3.600 10.610 463 HG3 LYS 64 HG1 LYS 64 78.013 -4.924 11.759 464 HD2 LYS 64 HD2 LYS 64 75.413 -4.968 11.297 465 HD3 LYS 64 HD1 LYS 64 75.834 -4.034 9.879 466 HE2 LYS 64 HE2 LYS 64 77.559 -5.860 9.353 467 HE3 LYS 64 HE1 LYS 64 76.705 -6.834 10.554 468 HZ1 LYS 64 HZ1 LYS 64 75.071 -5.483 8.561 469 HZ2 LYS 64 HZ2 LYS 64 74.892 -7.025 9.256 470 HZ3 LYS 64 HZ3 LYS 64 76.018 -6.777 8.008 471 H ASP 65 HN ASP 65 74.034 -1.772 13.199 472 HA ASP 65 HA ASP 65 74.873 0.289 15.186 473 HB2 ASP 65 HB2 ASP 65 72.033 -0.195 14.611 474 HB3 ASP 65 HB1 ASP 65 72.839 1.305 14.988 475 H LEU 66 HN LEU 66 74.482 -2.919 14.988 476 HA LEU 66 HA LEU 66 72.525 -3.672 16.794 477 HB2 LEU 66 HB2 LEU 66 75.175 -4.959 16.139 478 HB3 LEU 66 HB1 LEU 66 73.973 -5.754 17.136 479 HG LEU 66 HG LEU 66 73.068 -4.710 14.452 480 HD11 LEU 66 HD11 LEU 66 74.770 -7.184 14.853 481 HD12 LEU 66 HD12 LEU 66 75.059 -5.849 13.735 482 HD13 LEU 66 HD13 LEU 66 73.715 -6.950 13.462 483 HD21 LEU 66 HD21 LEU 66 72.462 -7.374 15.756 484 HD22 LEU 66 HD22 LEU 66 71.526 -6.519 14.536 485 HD23 LEU 66 HD23 LEU 66 71.558 -5.926 16.188 486 H ALA 67 HN ALA 67 75.026 -1.673 17.745 487 HA ALA 67 HA ALA 67 75.783 -2.817 20.217 488 HB1 ALA 67 HB1 ALA 67 76.784 -0.750 20.694 489 HB2 ALA 67 HB2 ALA 67 75.601 0.145 19.739 490 HB3 ALA 67 HB3 ALA 67 76.832 -0.826 18.932 491 H ILE 68 HN ILE 68 73.181 -0.541 19.304 492 HA ILE 68 HA ILE 68 72.302 -0.122 21.946 493 HB ILE 68 HB ILE 68 70.030 0.453 20.700 494 HG12 ILE 68 HG12 ILE 68 71.898 0.900 18.376 495 HG13 ILE 68 HG11 ILE 68 71.126 -0.665 18.529 496 HG21 ILE 68 HG21 ILE 68 71.122 2.683 20.000 497 HG22 ILE 68 HG22 ILE 68 72.644 1.993 20.535 498 HG23 ILE 68 HG23 ILE 68 71.318 2.218 21.685 499 HD11 ILE 68 HD11 ILE 68 69.528 1.900 18.582 500 HD12 ILE 68 HD12 ILE 68 68.940 0.254 18.339 501 HD13 ILE 68 HD13 ILE 68 69.901 1.039 17.090 502 H HIS 69 HN HIS 69 70.372 -1.991 19.561 503 HA HIS 69 HA HIS 69 69.020 -3.401 21.667 504 HB2 HIS 69 HB2 HIS 69 67.793 -2.974 19.668 505 HB3 HIS 69 HB1 HIS 69 69.053 -3.687 18.661 506 HD2 HIS 69 HD2 HIS 69 68.813 -6.441 18.304 507 HE1 HIS 69 HE1 HIS 69 65.760 -7.095 21.145 508 HE2 HIS 69 HE2 HIS 69 67.145 -8.178 19.311 509 H HIS 70 HN HIS 70 69.958 -4.979 22.791 510 HA HIS 70 HA HIS 70 72.217 -6.500 21.803 511 HB2 HIS 70 HB2 HIS 70 70.571 -6.784 24.329 512 HB3 HIS 70 HB1 HIS 70 72.079 -7.632 23.989 513 HD2 HIS 70 HD2 HIS 70 70.897 -4.177 25.266 514 HE1 HIS 70 HE1 HIS 70 75.067 -3.900 24.700 515 HE2 HIS 70 HE2 HIS 70 73.030 -2.733 25.659 516 H GLN 71 HN GLN 71 72.159 -8.432 20.817 517 HA GLN 71 HA GLN 71 69.651 -9.618 20.058 518 HB2 GLN 71 HB2 GLN 71 72.527 -10.516 19.711 519 HB3 GLN 71 HB1 GLN 71 71.150 -11.400 19.061 520 HG2 GLN 71 HG2 GLN 71 70.529 -9.516 17.649 521 HG3 GLN 71 HG1 GLN 71 71.754 -8.495 18.401 522 HE21 GLN 71 HE21 GLN 71 71.197 -10.234 15.643 523 HE22 GLN 71 HE22 GLN 71 72.797 -10.625 15.229 524 H HIS 72 HN HIS 72 68.514 -11.113 21.091 525 HA HIS 72 HA HIS 72 69.353 -12.143 23.635 526 HB2 HIS 72 HB2 HIS 72 66.958 -12.672 21.874 527 HB3 HIS 72 HB1 HIS 72 67.200 -13.473 23.426 528 HD2 HIS 72 HD2 HIS 72 66.544 -11.921 25.645 529 HE1 HIS 72 HE1 HIS 72 65.885 -8.297 23.595 530 HE2 HIS 72 HE2 HIS 72 65.734 -9.449 25.851 531 H HIS 73 HN HIS 73 69.994 -14.197 24.186 532 HA HIS 73 HA HIS 73 71.395 -15.721 22.254 533 HB2 HIS 73 HB2 HIS 73 71.992 -15.711 24.645 534 HB3 HIS 73 HB1 HIS 73 70.476 -16.530 25.024 535 HD2 HIS 73 HD2 HIS 73 74.005 -17.389 23.595 536 HE1 HIS 73 HE1 HIS 73 71.726 -20.945 23.595 537 HE2 HIS 73 HE2 HIS 73 74.046 -19.977 23.250 538 H HIS 74 HN HIS 74 68.248 -16.156 23.834 539 HA HIS 74 HA HIS 74 67.664 -18.656 22.551 540 HB2 HIS 74 HB2 HIS 74 65.896 -16.650 23.968 541 HB3 HIS 74 HB1 HIS 74 65.354 -18.231 23.403 542 HD2 HIS 74 HD2 HIS 74 67.133 -16.716 26.455 543 HE1 HIS 74 HE1 HIS 74 67.681 -20.890 26.704 544 HE2 HIS 74 HE2 HIS 74 67.923 -18.699 27.959 545 H GLY 75 HN GLY 75 66.618 -19.060 20.677 546 HA2 GLY 75 HA2 GLY 75 66.405 -16.993 18.710 547 HA3 GLY 75 HA1 GLY 75 65.894 -18.667 18.521 548 H GLY 76 HN GLY 76 64.376 -16.649 17.442 549 HA2 GLY 76 HA2 GLY 76 62.311 -15.657 19.097 550 HA3 GLY 76 HA1 GLY 76 62.230 -15.822 17.346 551 H SER 77 HN SER 77 62.626 -18.630 17.200 552 HA SER 77 HA SER 77 59.950 -19.546 17.659 553 HB2 SER 77 HB2 SER 77 62.473 -20.861 16.676 554 HB3 SER 77 HB1 SER 77 60.994 -21.779 16.935 555 HG SER 77 HG SER 77 61.639 -20.351 14.838 556 H MET 78 HN MET 78 59.214 -21.125 19.107 557 HA MET 78 HA MET 78 60.400 -21.103 21.671 558 HB2 MET 78 HB2 MET 78 57.984 -21.439 21.378 559 HB3 MET 78 HB1 MET 78 58.274 -22.934 20.500 560 HG2 MET 78 HG2 MET 78 58.864 -24.114 22.442 561 HG3 MET 78 HG1 MET 78 59.327 -22.664 23.321 562 HE1 MET 78 HE1 MET 78 56.435 -24.532 21.587 563 HE2 MET 78 HE2 MET 78 55.174 -24.496 22.815 564 HE3 MET 78 HE3 MET 78 56.675 -25.358 23.134 565 H GLY 79 HN GLY 79 60.412 -23.463 19.036 566 HA2 GLY 79 HA2 GLY 79 61.764 -25.534 20.429 567 HA3 GLY 79 HA1 GLY 79 61.656 -25.368 18.679 568 H MET 80 HN MET 80 63.964 -26.268 20.031 569 HA MET 80 HA MET 80 65.889 -24.242 20.463 570 HB2 MET 80 HB2 MET 80 66.105 -27.173 19.750 571 HB3 MET 80 HB1 MET 80 67.532 -26.163 19.963 572 HG2 MET 80 HG2 MET 80 66.976 -25.715 22.263 573 HG3 MET 80 HG1 MET 80 65.373 -26.435 22.075 574 HE1 MET 80 HE1 MET 80 67.035 -28.972 24.430 575 HE2 MET 80 HE2 MET 80 65.487 -28.267 23.971 576 HE3 MET 80 HE3 MET 80 66.832 -27.216 24.410 577 H SER 81 HN SER 81 64.951 -26.086 17.598 578 HA SER 81 HA SER 81 65.950 -24.028 15.827 579 HB2 SER 81 HB2 SER 81 67.503 -25.486 14.601 580 HB3 SER 81 HB1 SER 81 68.035 -25.270 16.264 581 HG SER 81 HG SER 81 66.754 -27.487 15.065 582 H GLY 82 HN GLY 82 65.520 -24.585 13.530 583 HA2 GLY 82 HA2 GLY 82 62.878 -25.581 13.227 584 HA3 GLY 82 HA1 GLY 82 63.978 -25.159 11.918 585 H SER 83 HN SER 83 62.134 -27.441 12.150 586 HA SER 83 HA SER 83 63.516 -29.837 12.721 587 HB2 SER 83 HB2 SER 83 61.745 -30.925 11.382 588 HB3 SER 83 HB1 SER 83 61.083 -29.761 12.525 589 HG SER 83 HG SER 83 60.556 -29.805 10.044 590 H GLY 84 HN GLY 84 63.189 -27.932 9.756 591 HA2 GLY 84 HA2 GLY 84 64.415 -29.785 8.002 592 HA3 GLY 84 HA1 GLY 84 64.282 -28.050 7.733 593 H THR 85 HN THR 85 66.517 -30.034 7.334 594 HA THR 85 HA THR 85 68.586 -29.380 9.216 595 HB THR 85 HB THR 85 70.060 -30.388 7.366 596 HG1 THR 85 HG1 THR 85 69.049 -30.475 5.541 597 HG21 THR 85 HG21 THR 85 69.520 -31.832 9.147 598 HG22 THR 85 HG22 THR 85 68.962 -32.704 7.720 599 HG23 THR 85 HG23 THR 85 67.804 -31.848 8.735 600 H GLY 86 HN GLY 86 70.633 -28.324 8.531 601 HA2 GLY 86 HA2 GLY 86 71.832 -26.565 7.647 602 HA3 GLY 86 HA1 GLY 86 70.673 -26.509 6.323 603 H TYR 87 HN TYR 87 69.559 -26.344 9.604 604 HA TYR 87 HA TYR 87 68.479 -24.729 10.811 605 HB2 TYR 87 HB2 TYR 87 70.914 -23.703 10.313 606 HB3 TYR 87 HB1 TYR 87 69.957 -22.531 9.435 607 HD1 TYR 87 HD2 TYR 87 70.438 -24.132 12.775 608 HD2 TYR 87 HD1 TYR 87 68.628 -20.834 10.665 609 HE1 TYR 87 HE2 TYR 87 69.907 -23.032 14.925 610 HE2 TYR 87 HE1 TYR 87 68.099 -19.758 12.813 611 HH TYR 87 HH TYR 87 69.464 -20.259 15.507 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 54.279 -12.138 19.330 2 H2 MET 1 HT2 MET 1 53.927 -10.910 18.211 3 H3 MET 1 HT3 MET 1 53.238 -10.871 19.763 4 HA MET 1 HA MET 1 55.048 -9.283 19.600 5 HB2 MET 1 HB2 MET 1 55.518 -11.736 21.322 6 HB3 MET 1 HB1 MET 1 56.470 -10.265 21.480 7 HG2 MET 1 HG2 MET 1 54.508 -8.980 22.104 8 HG3 MET 1 HG1 MET 1 53.442 -10.322 21.705 9 HE1 MET 1 HE1 MET 1 55.975 -9.704 25.460 10 HE2 MET 1 HE2 MET 1 55.026 -8.488 24.615 11 HE3 MET 1 HE3 MET 1 56.451 -9.179 23.844 12 H GLY 2 HN GLY 2 56.014 -12.641 18.979 13 HA2 GLY 2 HA2 GLY 2 57.642 -13.493 17.583 14 HA3 GLY 2 HA1 GLY 2 57.891 -11.867 16.958 15 H ALA 3 HN ALA 3 58.056 -12.411 20.374 16 HA ALA 3 HA ALA 3 60.918 -12.848 20.507 17 HB1 ALA 3 HB1 ALA 3 59.770 -10.140 21.225 18 HB2 ALA 3 HB2 ALA 3 60.941 -10.486 19.953 19 HB3 ALA 3 HB3 ALA 3 61.395 -10.686 21.642 20 HA PRO 4 HA PRO 4 58.276 -14.031 24.275 21 HB2 PRO 4 HB2 PRO 4 59.868 -16.511 24.195 22 HB3 PRO 4 HB1 PRO 4 58.113 -16.305 24.305 23 HG2 PRO 4 HG2 PRO 4 59.377 -17.202 22.098 24 HG3 PRO 4 HG1 PRO 4 57.846 -16.319 22.058 25 HD2 PRO 4 HD2 PRO 4 60.578 -15.382 21.338 26 HD3 PRO 4 HD1 PRO 4 58.994 -14.884 20.711 27 H VAL 5 HN VAL 5 58.981 -14.068 26.430 28 HA VAL 5 HA VAL 5 61.873 -14.020 27.044 29 HB VAL 5 HB VAL 5 59.868 -11.874 27.881 30 HG11 VAL 5 HG11 VAL 5 61.273 -11.559 29.625 31 HG12 VAL 5 HG12 VAL 5 62.354 -10.846 28.435 32 HG13 VAL 5 HG13 VAL 5 62.565 -12.521 28.916 33 HG21 VAL 5 HG21 VAL 5 62.081 -11.828 25.822 34 HG22 VAL 5 HG22 VAL 5 61.508 -10.363 26.607 35 HG23 VAL 5 HG23 VAL 5 60.394 -11.342 25.665 36 HA PRO 6 HA PRO 6 59.117 -16.540 30.010 37 HB2 PRO 6 HB2 PRO 6 61.555 -18.231 30.091 38 HB3 PRO 6 HB1 PRO 6 59.857 -18.703 29.916 39 HG2 PRO 6 HG2 PRO 6 61.591 -18.783 27.884 40 HG3 PRO 6 HG1 PRO 6 59.871 -18.428 27.659 41 HD2 PRO 6 HD2 PRO 6 62.208 -16.585 27.542 42 HD3 PRO 6 HD1 PRO 6 60.659 -16.520 26.682 43 H TYR 7 HN TYR 7 62.611 -15.915 30.176 44 HA TYR 7 HA TYR 7 62.738 -15.946 33.019 45 HB2 TYR 7 HB2 TYR 7 64.586 -15.164 30.804 46 HB3 TYR 7 HB1 TYR 7 64.989 -14.682 32.436 47 HD1 TYR 7 HD1 TYR 7 64.212 -17.616 30.265 48 HD2 TYR 7 HD2 TYR 7 65.775 -16.351 34.080 49 HE1 TYR 7 HE1 TYR 7 65.009 -19.909 30.712 50 HE2 TYR 7 HE2 TYR 7 66.570 -18.639 34.509 51 HH TYR 7 HH TYR 7 65.698 -21.313 32.430 52 HA PRO 8 HA PRO 8 61.375 -11.654 33.546 53 HB2 PRO 8 HB2 PRO 8 62.493 -10.860 35.880 54 HB3 PRO 8 HB1 PRO 8 61.167 -12.038 35.814 55 HG2 PRO 8 HG2 PRO 8 64.086 -12.499 36.150 56 HG3 PRO 8 HG1 PRO 8 62.721 -13.278 36.963 57 HD2 PRO 8 HD2 PRO 8 64.073 -14.436 34.876 58 HD3 PRO 8 HD1 PRO 8 62.366 -14.761 35.251 59 H ASP 9 HN ASP 9 64.497 -12.458 32.927 60 HA ASP 9 HA ASP 9 66.422 -11.406 32.246 61 HB2 ASP 9 HB2 ASP 9 64.349 -9.461 31.235 62 HB3 ASP 9 HB1 ASP 9 66.045 -9.430 30.786 63 HA PRO 10 HA PRO 10 66.358 -8.520 36.035 64 HB2 PRO 10 HB2 PRO 10 69.084 -9.660 36.340 65 HB3 PRO 10 HB1 PRO 10 67.819 -9.424 37.557 66 HG2 PRO 10 HG2 PRO 10 68.445 -11.832 36.606 67 HG3 PRO 10 HG1 PRO 10 66.790 -11.400 37.066 68 HD2 PRO 10 HD2 PRO 10 67.977 -11.704 34.347 69 HD3 PRO 10 HD1 PRO 10 66.324 -12.029 34.903 70 H LEU 11 HN LEU 11 68.826 -9.260 33.652 71 HA LEU 11 HA LEU 11 70.312 -6.848 33.942 72 HB2 LEU 11 HB2 LEU 11 70.117 -8.548 31.453 73 HB3 LEU 11 HB1 LEU 11 71.434 -7.474 31.886 74 HG LEU 11 HG LEU 11 70.692 -10.113 33.251 75 HD11 LEU 11 HD11 LEU 11 72.853 -10.904 32.494 76 HD12 LEU 11 HD12 LEU 11 73.242 -9.331 31.809 77 HD13 LEU 11 HD13 LEU 11 71.954 -10.307 31.103 78 HD21 LEU 11 HD21 LEU 11 72.950 -9.677 34.473 79 HD22 LEU 11 HD22 LEU 11 71.511 -8.865 35.081 80 HD23 LEU 11 HD23 LEU 11 72.673 -7.980 34.089 81 H GLU 12 HN GLU 12 67.685 -7.820 31.800 82 HA GLU 12 HA GLU 12 66.624 -6.695 30.063 83 HB2 GLU 12 HB2 GLU 12 65.213 -4.795 31.062 84 HB3 GLU 12 HB1 GLU 12 65.035 -6.412 31.711 85 HG2 GLU 12 HG2 GLU 12 66.270 -5.894 33.661 86 HG3 GLU 12 HG1 GLU 12 66.888 -4.396 32.989 87 HA PRO 13 HA PRO 13 69.997 -3.460 29.314 88 HB2 PRO 13 HB2 PRO 13 69.766 -4.468 26.541 89 HB3 PRO 13 HB1 PRO 13 71.214 -4.176 27.518 90 HG2 PRO 13 HG2 PRO 13 70.312 -6.641 26.950 91 HG3 PRO 13 HG1 PRO 13 71.164 -6.249 28.452 92 HD2 PRO 13 HD2 PRO 13 68.267 -6.777 28.016 93 HD3 PRO 13 HD1 PRO 13 69.278 -7.070 29.446 94 H ARG 14 HN ARG 14 69.640 -1.432 28.535 95 HA ARG 14 HA ARG 14 67.008 -0.619 27.902 96 HB2 ARG 14 HB2 ARG 14 69.682 0.778 27.597 97 HB3 ARG 14 HB1 ARG 14 68.139 1.571 27.295 98 HG2 ARG 14 HG2 ARG 14 67.437 1.205 29.625 99 HG3 ARG 14 HG1 ARG 14 68.894 0.273 29.947 100 HD2 ARG 14 HD2 ARG 14 70.273 2.284 29.589 101 HD3 ARG 14 HD1 ARG 14 68.829 3.216 29.190 102 HE ARG 14 HE ARG 14 68.441 2.045 31.710 103 HH11 ARG 14 HH21 ARG 14 70.458 4.368 30.132 104 HH12 ARG 14 HH22 ARG 14 70.738 5.302 31.563 105 HH21 ARG 14 HH11 ARG 14 68.825 3.240 33.594 106 HH22 ARG 14 HH12 ARG 14 69.812 4.661 33.525 107 H GLY 15 HN GLY 15 69.856 -1.290 25.932 108 HA2 GLY 15 HA2 GLY 15 70.098 -1.641 23.670 109 HA3 GLY 15 HA1 GLY 15 68.371 -1.990 23.638 110 H GLY 16 HN GLY 16 67.474 -0.801 22.087 111 HA2 GLY 16 HA2 GLY 16 67.368 2.031 22.272 112 HA3 GLY 16 HA1 GLY 16 68.440 1.550 20.963 113 H LYS 17 HN LYS 17 66.175 -0.836 21.396 114 HA LYS 17 HA LYS 17 64.487 -1.627 20.057 115 HB2 LYS 17 HB2 LYS 17 63.503 1.244 20.243 116 HB3 LYS 17 HB1 LYS 17 62.541 -0.162 19.828 117 HG2 LYS 17 HG2 LYS 17 62.055 -0.386 22.014 118 HG3 LYS 17 HG1 LYS 17 63.717 -0.896 22.267 119 HD2 LYS 17 HD2 LYS 17 64.369 1.482 22.652 120 HD3 LYS 17 HD1 LYS 17 62.687 1.972 22.459 121 HE2 LYS 17 HE2 LYS 17 62.061 0.606 24.417 122 HE3 LYS 17 HE1 LYS 17 63.746 0.118 24.621 123 HZ1 LYS 17 HZ1 LYS 17 62.700 2.893 24.726 124 HZ2 LYS 17 HZ2 LYS 17 64.339 2.461 24.845 125 HZ3 LYS 17 HZ3 LYS 17 63.240 1.973 26.045 126 H HIS 18 HN HIS 18 65.954 -1.963 18.443 127 HA HIS 18 HA HIS 18 66.797 -0.398 16.373 128 HB2 HIS 18 HB2 HIS 18 66.879 -3.073 16.841 129 HB3 HIS 18 HB1 HIS 18 65.775 -3.038 15.481 130 HD2 HIS 18 HD2 HIS 18 67.516 -0.557 13.852 131 HE1 HIS 18 HE1 HIS 18 70.580 -3.440 13.889 132 H ILE 19 HN ILE 19 63.536 -1.482 16.851 133 HA ILE 19 HA ILE 19 62.655 -0.458 14.218 134 HB ILE 19 HB ILE 19 61.308 -2.322 16.191 135 HG12 ILE 19 HG12 ILE 19 61.748 -2.915 13.273 136 HG13 ILE 19 HG11 ILE 19 63.127 -3.045 14.351 137 HG21 ILE 19 HG21 ILE 19 60.139 -0.797 13.845 138 HG22 ILE 19 HG22 ILE 19 59.406 -1.208 15.398 139 HG23 ILE 19 HG23 ILE 19 59.586 -2.437 14.161 140 HD11 ILE 19 HD11 ILE 19 60.498 -4.446 14.917 141 HD12 ILE 19 HD12 ILE 19 62.072 -4.752 15.657 142 HD13 ILE 19 HD13 ILE 19 61.790 -5.187 13.974 143 H CYS 20 HN CYS 20 62.102 1.622 14.299 144 HA CYS 20 HA CYS 20 61.299 2.930 16.741 145 HB2 CYS 20 HB2 CYS 20 62.457 4.202 15.012 146 HB3 CYS 20 HB1 CYS 20 61.209 3.824 13.858 147 H ALA 21 HN ALA 21 59.164 3.764 17.203 148 HA ALA 21 HA ALA 21 57.041 1.944 16.477 149 HB1 ALA 21 HB1 ALA 21 55.706 3.202 18.036 150 HB2 ALA 21 HB2 ALA 21 56.870 4.528 18.030 151 HB3 ALA 21 HB3 ALA 21 57.307 2.974 18.742 152 H ILE 22 HN ILE 22 58.272 4.830 15.230 153 HA ILE 22 HA ILE 22 55.833 5.482 13.690 154 HB ILE 22 HB ILE 22 58.129 7.217 14.638 155 HG12 ILE 22 HG12 ILE 22 55.220 7.837 15.073 156 HG13 ILE 22 HG11 ILE 22 55.940 6.590 16.073 157 HG21 ILE 22 HG21 ILE 22 57.742 8.259 12.570 158 HG22 ILE 22 HG22 ILE 22 56.554 9.076 13.561 159 HG23 ILE 22 HG23 ILE 22 56.050 7.766 12.511 160 HD11 ILE 22 HD11 ILE 22 57.175 9.342 15.793 161 HD12 ILE 22 HD12 ILE 22 57.527 8.113 17.012 162 HD13 ILE 22 HD13 ILE 22 55.980 8.954 17.027 163 H CYS 23 HN CYS 23 59.226 6.381 13.172 164 HA CYS 23 HA CYS 23 59.144 6.148 10.406 165 HB2 CYS 23 HB2 CYS 23 61.699 5.810 11.877 166 HB3 CYS 23 HB1 CYS 23 61.357 6.785 10.454 167 H GLY 24 HN GLY 24 59.212 3.659 12.627 168 HA2 GLY 24 HA2 GLY 24 59.279 1.393 12.275 169 HA3 GLY 24 HA1 GLY 24 59.628 1.692 10.591 170 H ASN 25 HN ASN 25 62.069 3.460 11.660 171 HA ASN 25 HA ASN 25 63.794 1.490 12.854 172 HB2 ASN 25 HB2 ASN 25 63.516 1.478 9.950 173 HB3 ASN 25 HB1 ASN 25 65.184 1.659 10.429 174 HD21 ASN 25 HD21 ASN 25 62.777 -0.639 9.904 175 HD22 ASN 25 HD22 ASN 25 63.483 -1.932 10.749 176 H ASN 26 HN ASN 26 63.279 4.591 12.846 177 HA ASN 26 HA ASN 26 66.097 5.524 12.486 178 HB2 ASN 26 HB2 ASN 26 63.584 7.098 12.973 179 HB3 ASN 26 HB1 ASN 26 65.185 7.794 12.874 180 HD21 ASN 26 HD21 ASN 26 63.531 5.257 10.895 181 HD22 ASN 26 HD22 ASN 26 63.889 6.000 9.414 182 H ALA 27 HN ALA 27 64.714 3.911 14.756 183 HA ALA 27 HA ALA 27 65.376 5.515 17.112 184 HB1 ALA 27 HB1 ALA 27 64.575 3.331 18.254 185 HB2 ALA 27 HB2 ALA 27 64.034 2.884 16.634 186 HB3 ALA 27 HB3 ALA 27 63.409 4.333 17.411 187 H GLU 28 HN GLU 28 67.640 5.508 16.100 188 HA GLU 28 HA GLU 28 69.306 3.883 17.746 189 HB2 GLU 28 HB2 GLU 28 70.605 2.871 15.785 190 HB3 GLU 28 HB1 GLU 28 69.086 2.119 16.218 191 HG2 GLU 28 HG2 GLU 28 67.946 3.110 14.364 192 HG3 GLU 28 HG1 GLU 28 69.306 4.172 14.009 193 H ASP 29 HN ASP 29 68.826 6.398 15.472 194 HA ASP 29 HA ASP 29 71.418 7.604 16.166 195 HB2 ASP 29 HB2 ASP 29 70.494 7.026 13.347 196 HB3 ASP 29 HB1 ASP 29 71.760 8.195 13.730 197 H TYR 30 HN TYR 30 69.581 8.806 13.468 198 HA TYR 30 HA TYR 30 69.099 11.304 14.830 199 HB2 TYR 30 HB2 TYR 30 68.432 10.339 12.047 200 HB3 TYR 30 HB1 TYR 30 68.179 11.973 12.621 201 HD1 TYR 30 HD2 TYR 30 70.124 13.435 13.258 202 HD2 TYR 30 HD1 TYR 30 70.726 9.510 11.580 203 HE1 TYR 30 HE2 TYR 30 72.491 13.976 12.805 204 HE2 TYR 30 HE1 TYR 30 73.083 10.063 11.140 205 HH TYR 30 HH TYR 30 74.455 12.156 10.781 206 H LYS 31 HN LYS 31 67.038 12.323 14.923 207 HA LYS 31 HA LYS 31 64.676 10.540 14.960 208 HB2 LYS 31 HB2 LYS 31 65.406 12.588 17.085 209 HB3 LYS 31 HB1 LYS 31 63.913 11.658 17.039 210 HG2 LYS 31 HG2 LYS 31 65.235 9.545 17.260 211 HG3 LYS 31 HG1 LYS 31 66.709 10.500 17.369 212 HD2 LYS 31 HD2 LYS 31 65.847 11.598 19.432 213 HD3 LYS 31 HD1 LYS 31 64.382 10.628 19.334 214 HE2 LYS 31 HE2 LYS 31 65.731 8.563 19.590 215 HE3 LYS 31 HE1 LYS 31 67.199 9.536 19.696 216 HZ1 LYS 31 HZ1 LYS 31 66.440 9.002 21.880 217 HZ2 LYS 31 HZ2 LYS 31 64.886 9.606 21.550 218 HZ3 LYS 31 HZ3 LYS 31 66.214 10.664 21.624 219 H HIS 32 HN HIS 32 65.617 12.340 12.930 220 HA HIS 32 HA HIS 32 63.970 14.747 13.103 221 HB2 HIS 32 HB2 HIS 32 65.589 13.618 10.814 222 HB3 HIS 32 HB1 HIS 32 64.765 15.176 10.803 223 HD2 HIS 32 HD2 HIS 32 68.249 14.205 11.255 224 HE1 HIS 32 HE1 HIS 32 67.737 17.131 14.257 225 HE2 HIS 32 HE2 HIS 32 69.453 15.795 12.946 226 H THR 33 HN THR 33 63.715 11.563 11.720 227 HA THR 33 HA THR 33 61.493 12.190 9.978 228 HB THR 33 HB THR 33 61.348 9.637 9.902 229 HG1 THR 33 HG1 THR 33 63.856 9.847 11.171 230 HG21 THR 33 HG21 THR 33 62.446 10.641 8.076 231 HG22 THR 33 HG22 THR 33 63.648 9.515 8.703 232 HG23 THR 33 HG23 THR 33 63.773 11.231 9.075 233 H ASP 34 HN ASP 34 61.858 11.601 13.315 234 HA ASP 34 HA ASP 34 59.429 10.230 13.856 235 HB2 ASP 34 HB2 ASP 34 61.224 11.990 15.505 236 HB3 ASP 34 HB1 ASP 34 59.707 11.390 16.155 237 H MET 35 HN MET 35 60.234 13.655 13.643 238 HA MET 35 HA MET 35 57.672 14.611 14.425 239 HB2 MET 35 HB2 MET 35 59.964 15.851 12.893 240 HB3 MET 35 HB1 MET 35 58.466 16.725 13.197 241 HG2 MET 35 HG2 MET 35 58.783 16.625 15.582 242 HG3 MET 35 HG1 MET 35 60.072 15.434 15.420 243 HE1 MET 35 HE1 MET 35 59.404 19.098 16.127 244 HE2 MET 35 HE2 MET 35 58.878 18.978 14.449 245 HE3 MET 35 HE3 MET 35 60.270 19.970 14.858 246 H ASP 36 HN ASP 36 59.140 13.933 11.277 247 HA ASP 36 HA ASP 36 56.726 14.671 9.805 248 HB2 ASP 36 HB2 ASP 36 59.390 13.536 8.931 249 HB3 ASP 36 HB1 ASP 36 58.082 13.967 7.832 250 H LEU 37 HN LEU 37 55.097 13.268 10.087 251 HA LEU 37 HA LEU 37 55.467 10.413 10.308 252 HB2 LEU 37 HB2 LEU 37 52.893 11.860 9.660 253 HB3 LEU 37 HB1 LEU 37 53.063 10.283 10.411 254 HG LEU 37 HG LEU 37 53.714 12.991 11.658 255 HD11 LEU 37 HD11 LEU 37 51.740 10.878 12.560 256 HD12 LEU 37 HD12 LEU 37 51.302 12.311 11.628 257 HD13 LEU 37 HD13 LEU 37 51.968 12.482 13.247 258 HD21 LEU 37 HD21 LEU 37 54.050 11.532 13.781 259 HD22 LEU 37 HD22 LEU 37 55.383 11.633 12.635 260 HD23 LEU 37 HD23 LEU 37 54.345 10.208 12.658 261 H THR 38 HN THR 38 55.027 8.854 8.825 262 HA THR 38 HA THR 38 54.129 9.473 6.140 263 HB THR 38 HB THR 38 56.552 10.099 6.046 264 HG1 THR 38 HG1 THR 38 55.935 9.494 4.121 265 HG21 THR 38 HG21 THR 38 58.278 8.631 6.488 266 HG22 THR 38 HG22 THR 38 57.299 7.203 6.174 267 HG23 THR 38 HG23 THR 38 57.130 8.070 7.698 268 H TYR 39 HN TYR 39 53.689 7.633 4.872 269 HA TYR 39 HA TYR 39 52.943 5.297 6.410 270 HB2 TYR 39 HB2 TYR 39 52.760 5.908 3.451 271 HB3 TYR 39 HB1 TYR 39 52.098 4.477 4.211 272 HD1 TYR 39 HD2 TYR 39 51.783 8.171 3.920 273 HD2 TYR 39 HD1 TYR 39 50.103 4.617 5.699 274 HE1 TYR 39 HE2 TYR 39 49.756 9.421 4.537 275 HE2 TYR 39 HE1 TYR 39 48.082 5.885 6.302 276 HH TYR 39 HH TYR 39 47.824 9.375 5.639 277 H THR 40 HN THR 40 53.872 3.286 6.352 278 HA THR 40 HA THR 40 56.628 3.092 5.625 279 HB THR 40 HB THR 40 56.553 0.906 6.511 280 HG1 THR 40 HG1 THR 40 54.965 -0.383 6.083 281 HG21 THR 40 HG21 THR 40 55.756 2.852 8.077 282 HG22 THR 40 HG22 THR 40 55.569 1.186 8.617 283 HG23 THR 40 HG23 THR 40 54.184 2.059 7.965 284 H ASP 41 HN ASP 41 57.594 2.237 3.870 285 HA ASP 41 HA ASP 41 56.030 1.862 1.461 286 HB2 ASP 41 HB2 ASP 41 58.998 1.629 2.020 287 HB3 ASP 41 HB1 ASP 41 58.268 1.508 0.419 288 H ARG 42 HN ARG 42 54.796 -0.019 2.003 289 HA ARG 42 HA ARG 42 55.964 -2.488 2.778 290 HB2 ARG 42 HB2 ARG 42 53.353 -1.822 1.392 291 HB3 ARG 42 HB1 ARG 42 53.787 -3.456 1.884 292 HG2 ARG 42 HG2 ARG 42 53.908 -2.776 4.241 293 HG3 ARG 42 HG1 ARG 42 53.637 -1.095 3.798 294 HD2 ARG 42 HD2 ARG 42 51.356 -1.689 2.989 295 HD3 ARG 42 HD1 ARG 42 51.668 -3.371 3.381 296 HE ARG 42 HE ARG 42 51.272 -2.907 5.605 297 HH11 ARG 42 HH21 ARG 42 51.808 0.050 3.894 298 HH12 ARG 42 HH22 ARG 42 51.349 1.052 5.230 299 HH21 ARG 42 HH11 ARG 42 50.670 -1.609 7.340 300 HH22 ARG 42 HH12 ARG 42 50.708 0.114 7.177 301 H ASP 43 HN ASP 43 55.115 -1.112 -0.372 302 HA ASP 43 HA ASP 43 55.861 -3.424 -1.882 303 HB2 ASP 43 HB2 ASP 43 55.511 -0.526 -2.688 304 HB3 ASP 43 HB1 ASP 43 55.766 -1.852 -3.821 305 H TYR 44 HN TYR 44 57.749 -3.895 -2.941 306 HA TYR 44 HA TYR 44 60.176 -2.816 -1.860 307 HB2 TYR 44 HB2 TYR 44 59.706 -4.659 -4.216 308 HB3 TYR 44 HB1 TYR 44 61.270 -4.313 -3.508 309 HD1 TYR 44 HD2 TYR 44 57.998 -5.976 -2.941 310 HD2 TYR 44 HD1 TYR 44 61.899 -5.216 -1.271 311 HE1 TYR 44 HE2 TYR 44 57.611 -7.714 -1.230 312 HE2 TYR 44 HE1 TYR 44 61.501 -6.951 0.430 313 HH TYR 44 HH TYR 44 58.411 -8.315 0.995 314 H LYS 45 HN LYS 45 61.596 -1.394 -2.738 315 HA LYS 45 HA LYS 45 61.020 -0.146 -5.374 316 HB2 LYS 45 HB2 LYS 45 61.749 1.259 -2.788 317 HB3 LYS 45 HB1 LYS 45 61.706 2.031 -4.370 318 HG2 LYS 45 HG2 LYS 45 59.273 1.512 -4.557 319 HG3 LYS 45 HG1 LYS 45 59.323 0.737 -2.979 320 HD2 LYS 45 HD2 LYS 45 59.955 2.900 -1.929 321 HD3 LYS 45 HD1 LYS 45 59.921 3.678 -3.507 322 HE2 LYS 45 HE2 LYS 45 57.500 3.166 -3.708 323 HE3 LYS 45 HE1 LYS 45 57.539 2.388 -2.124 324 HZ1 LYS 45 HZ1 LYS 45 58.302 5.209 -2.622 325 HZ2 LYS 45 HZ2 LYS 45 58.152 4.441 -1.114 326 HZ3 LYS 45 HZ3 LYS 45 56.776 4.714 -2.071 327 H ASN 46 HN ASN 46 62.796 0.663 -6.482 328 HA ASN 46 HA ASN 46 65.201 -0.826 -6.159 329 HB2 ASN 46 HB2 ASN 46 64.353 -0.030 -8.347 330 HB3 ASN 46 HB1 ASN 46 64.683 1.629 -7.853 331 HD21 ASN 46 HD21 ASN 46 66.609 2.343 -8.765 332 HD22 ASN 46 HD22 ASN 46 67.996 1.389 -8.985 333 H CYS 47 HN CYS 47 66.740 -0.461 -4.719 334 HA CYS 47 HA CYS 47 67.872 2.155 -4.297 335 HB2 CYS 47 HB2 CYS 47 65.867 1.095 -2.426 336 HB3 CYS 47 HB1 CYS 47 67.381 1.565 -1.654 337 HG CYS 47 HG CYS 47 65.386 3.480 -2.995 338 H GLU 48 HN GLU 48 69.688 2.053 -2.700 339 HA GLU 48 HA GLU 48 71.401 -0.118 -3.256 340 HB2 GLU 48 HB2 GLU 48 71.502 1.974 -1.064 341 HB3 GLU 48 HB1 GLU 48 72.812 0.841 -1.393 342 HG2 GLU 48 HG2 GLU 48 73.086 1.763 -3.661 343 HG3 GLU 48 HG1 GLU 48 71.709 2.833 -3.415 344 H SER 49 HN SER 49 72.208 -1.764 -1.877 345 HA SER 49 HA SER 49 70.964 -2.349 0.655 346 HB2 SER 49 HB2 SER 49 70.030 -4.541 -0.116 347 HB3 SER 49 HB1 SER 49 69.170 -3.143 -0.755 348 HG SER 49 HG SER 49 69.833 -4.900 -2.270 349 H TYR 50 HN TYR 50 71.781 -4.399 1.555 350 HA TYR 50 HA TYR 50 74.204 -5.510 0.352 351 HB2 TYR 50 HB2 TYR 50 74.103 -3.831 2.823 352 HB3 TYR 50 HB1 TYR 50 75.196 -5.197 2.795 353 HD1 TYR 50 HD1 TYR 50 76.961 -5.373 0.973 354 HD2 TYR 50 HD2 TYR 50 74.611 -1.794 1.516 355 HE1 TYR 50 HE1 TYR 50 78.588 -4.086 -0.362 356 HE2 TYR 50 HE2 TYR 50 76.243 -0.530 0.175 357 HH TYR 50 HH TYR 50 79.228 -2.044 -1.023 358 H HIS 51 HN HIS 51 74.708 -7.524 1.069 359 HA HIS 51 HA HIS 51 72.546 -9.083 2.091 360 HB2 HIS 51 HB2 HIS 51 75.456 -9.775 1.627 361 HB3 HIS 51 HB1 HIS 51 74.202 -10.945 2.038 362 HD2 HIS 51 HD2 HIS 51 75.606 -9.212 -1.085 363 HE1 HIS 51 HE1 HIS 51 71.911 -10.897 -2.237 364 HE2 HIS 51 HE2 HIS 51 74.041 -9.798 -3.085 365 H LYS 52 HN LYS 52 75.350 -7.559 3.506 366 HA LYS 52 HA LYS 52 75.532 -9.067 5.872 367 HB2 LYS 52 HB2 LYS 52 76.240 -6.182 5.283 368 HB3 LYS 52 HB1 LYS 52 76.622 -6.968 6.804 369 HG2 LYS 52 HG2 LYS 52 77.494 -8.346 4.283 370 HG3 LYS 52 HG1 LYS 52 78.353 -6.889 4.753 371 HD2 LYS 52 HD2 LYS 52 79.064 -7.846 6.834 372 HD3 LYS 52 HD1 LYS 52 77.948 -9.199 6.693 373 HE2 LYS 52 HE2 LYS 52 79.213 -10.169 4.896 374 HE3 LYS 52 HE1 LYS 52 80.198 -8.715 4.721 375 HZ1 LYS 52 HZ1 LYS 52 81.346 -9.158 6.643 376 HZ2 LYS 52 HZ2 LYS 52 81.091 -10.728 6.048 377 HZ3 LYS 52 HZ3 LYS 52 80.117 -10.123 7.301 378 H CYS 53 HN CYS 53 73.740 -6.019 5.238 379 HA CYS 53 HA CYS 53 72.678 -5.552 7.741 380 HB2 CYS 53 HB2 CYS 53 72.471 -4.199 5.599 381 HB3 CYS 53 HB1 CYS 53 71.089 -5.212 5.208 382 HG CYS 53 HG CYS 53 70.842 -2.875 6.921 383 H SER 54 HN SER 54 70.562 -5.865 8.602 384 HA SER 54 HA SER 54 69.672 -8.618 8.451 385 HB2 SER 54 HB2 SER 54 68.684 -6.285 10.093 386 HB3 SER 54 HB1 SER 54 68.147 -7.951 10.271 387 HG SER 54 HG SER 54 70.185 -6.845 11.425 388 H ASP 55 HN ASP 55 69.052 -5.914 6.663 389 HA ASP 55 HA ASP 55 67.541 -5.383 5.051 390 HB2 ASP 55 HB2 ASP 55 67.736 -7.922 4.755 391 HB3 ASP 55 HB1 ASP 55 66.133 -7.990 5.457 392 H LEU 56 HN LEU 56 67.016 -4.191 7.277 393 HA LEU 56 HA LEU 56 64.240 -3.656 7.137 394 HB2 LEU 56 HB2 LEU 56 63.693 -4.049 9.496 395 HB3 LEU 56 HB1 LEU 56 64.059 -5.516 8.634 396 HG LEU 56 HG LEU 56 66.559 -4.830 9.693 397 HD11 LEU 56 HD11 LEU 56 64.556 -4.367 11.904 398 HD12 LEU 56 HD12 LEU 56 65.428 -3.065 11.094 399 HD13 LEU 56 HD13 LEU 56 66.309 -4.283 11.998 400 HD21 LEU 56 HD21 LEU 56 66.143 -6.624 11.360 401 HD22 LEU 56 HD22 LEU 56 65.723 -7.097 9.720 402 HD23 LEU 56 HD23 LEU 56 64.453 -6.657 10.872 403 H CYS 57 HN CYS 57 67.270 -3.196 8.854 404 HA CYS 57 HA CYS 57 66.633 -0.385 9.496 405 HB2 CYS 57 HB2 CYS 57 67.549 -1.546 11.310 406 HB3 CYS 57 HB1 CYS 57 68.802 -2.289 10.348 407 H GLN 58 HN GLN 58 67.020 1.051 7.980 408 HA GLN 58 HA GLN 58 68.581 0.522 5.687 409 HB2 GLN 58 HB2 GLN 58 68.324 3.111 5.394 410 HB3 GLN 58 HB1 GLN 58 66.925 2.056 5.236 411 HG2 GLN 58 HG2 GLN 58 66.075 2.667 7.358 412 HG3 GLN 58 HG1 GLN 58 67.629 3.305 7.898 413 HE21 GLN 58 HE21 GLN 58 66.909 5.473 8.301 414 HE22 GLN 58 HE22 GLN 58 66.350 6.495 7.066 415 H TYR 59 HN TYR 59 69.349 2.227 8.670 416 HA TYR 59 HA TYR 59 71.762 3.403 7.710 417 HB2 TYR 59 HB2 TYR 59 70.133 3.545 10.012 418 HB3 TYR 59 HB1 TYR 59 71.761 3.169 10.542 419 HD1 TYR 59 HD1 TYR 59 69.707 5.560 8.538 420 HD2 TYR 59 HD2 TYR 59 73.558 4.845 10.334 421 HE1 TYR 59 HE1 TYR 59 70.349 7.905 8.116 422 HE2 TYR 59 HE2 TYR 59 74.187 7.190 9.904 423 HH TYR 59 HH TYR 59 73.585 9.030 8.482 424 H CYS 60 HN CYS 60 70.978 0.319 9.158 425 HA CYS 60 HA CYS 60 73.479 -0.368 10.188 426 HB2 CYS 60 HB2 CYS 60 71.065 -1.800 9.317 427 HB3 CYS 60 HB1 CYS 60 72.523 -2.751 9.393 428 H ARG 61 HN ARG 61 72.256 -0.274 6.934 429 HA ARG 61 HA ARG 61 73.963 -2.070 5.604 430 HB2 ARG 61 HB2 ARG 61 72.748 0.555 4.707 431 HB3 ARG 61 HB1 ARG 61 73.599 -0.529 3.621 432 HG2 ARG 61 HG2 ARG 61 71.990 -2.280 3.938 433 HG3 ARG 61 HG1 ARG 61 71.230 -1.439 5.284 434 HD2 ARG 61 HD2 ARG 61 70.379 0.274 3.781 435 HD3 ARG 61 HD1 ARG 61 71.271 -0.418 2.426 436 HE ARG 61 HE ARG 61 69.661 -2.447 3.449 437 HH11 ARG 61 HH21 ARG 61 69.287 0.677 2.024 438 HH12 ARG 61 HH22 ARG 61 67.757 0.315 1.299 439 HH21 ARG 61 HH11 ARG 61 67.666 -2.938 2.500 440 HH22 ARG 61 HH12 ARG 61 66.838 -1.735 1.569 441 H TYR 62 HN TYR 62 74.453 1.380 6.313 442 HA TYR 62 HA TYR 62 77.077 1.443 5.062 443 HB2 TYR 62 HB2 TYR 62 75.687 3.544 6.727 444 HB3 TYR 62 HB1 TYR 62 77.111 3.778 5.738 445 HD1 TYR 62 HD1 TYR 62 76.972 3.623 3.226 446 HD2 TYR 62 HD2 TYR 62 73.440 3.381 5.692 447 HE1 TYR 62 HE1 TYR 62 75.552 4.027 1.250 448 HE2 TYR 62 HE2 TYR 62 72.039 3.799 3.715 449 HH TYR 62 HH TYR 62 72.483 3.339 1.012 450 H GLN 63 HN GLN 63 75.794 1.896 8.335 451 HA GLN 63 HA GLN 63 78.368 1.021 9.529 452 HB2 GLN 63 HB2 GLN 63 76.677 3.395 10.378 453 HB3 GLN 63 HB1 GLN 63 78.023 2.746 11.303 454 HG2 GLN 63 HG2 GLN 63 79.572 3.300 9.453 455 HG3 GLN 63 HG1 GLN 63 78.221 3.924 8.509 456 HE21 GLN 63 HE21 GLN 63 78.375 6.158 8.531 457 HE22 GLN 63 HE22 GLN 63 78.675 7.095 9.913 458 H LYS 64 HN LYS 64 77.900 -0.799 10.535 459 HA LYS 64 HA LYS 64 75.382 -1.700 11.314 460 HB2 LYS 64 HB2 LYS 64 78.104 -2.387 12.415 461 HB3 LYS 64 HB1 LYS 64 76.653 -3.264 12.842 462 HG2 LYS 64 HG2 LYS 64 77.736 -2.974 10.005 463 HG3 LYS 64 HG1 LYS 64 78.062 -4.349 11.043 464 HD2 LYS 64 HD2 LYS 64 75.360 -4.487 11.106 465 HD3 LYS 64 HD1 LYS 64 75.523 -3.593 9.611 466 HE2 LYS 64 HE2 LYS 64 77.134 -5.375 8.820 467 HE3 LYS 64 HE1 LYS 64 76.655 -6.326 10.230 468 HZ1 LYS 64 HZ1 LYS 64 75.148 -5.680 7.836 469 HZ2 LYS 64 HZ2 LYS 64 74.278 -5.639 9.295 470 HZ3 LYS 64 HZ3 LYS 64 75.087 -7.056 8.824 471 H ASP 65 HN ASP 65 74.131 -1.531 12.963 472 HA ASP 65 HA ASP 65 74.878 0.209 15.252 473 HB2 ASP 65 HB2 ASP 65 72.063 -0.392 14.526 474 HB3 ASP 65 HB1 ASP 65 72.725 1.032 15.290 475 H LEU 66 HN LEU 66 74.952 -2.917 14.711 476 HA LEU 66 HA LEU 66 73.063 -4.198 16.268 477 HB2 LEU 66 HB2 LEU 66 75.930 -4.883 15.650 478 HB3 LEU 66 HB1 LEU 66 74.935 -5.979 16.585 479 HG LEU 66 HG LEU 66 73.892 -4.996 13.924 480 HD11 LEU 66 HD11 LEU 66 76.068 -5.786 13.254 481 HD12 LEU 66 HD12 LEU 66 74.952 -7.107 12.944 482 HD13 LEU 66 HD13 LEU 66 75.984 -7.150 14.369 483 HD21 LEU 66 HD21 LEU 66 72.578 -6.533 15.614 484 HD22 LEU 66 HD22 LEU 66 73.704 -7.779 15.104 485 HD23 LEU 66 HD23 LEU 66 72.642 -7.017 13.927 486 H ALA 67 HN ALA 67 75.154 -1.941 17.603 487 HA ALA 67 HA ALA 67 75.931 -3.188 20.014 488 HB1 ALA 67 HB1 ALA 67 76.205 -0.901 20.861 489 HB2 ALA 67 HB2 ALA 67 75.316 -0.277 19.471 490 HB3 ALA 67 HB3 ALA 67 76.885 -1.054 19.240 491 H ILE 68 HN ILE 68 73.135 -1.151 19.178 492 HA ILE 68 HA ILE 68 71.979 -1.193 21.718 493 HB ILE 68 HB ILE 68 69.798 -0.661 20.437 494 HG12 ILE 68 HG12 ILE 68 71.490 0.075 18.101 495 HG13 ILE 68 HG11 ILE 68 71.133 -1.633 18.208 496 HG21 ILE 68 HG21 ILE 68 70.799 1.600 19.691 497 HG22 ILE 68 HG22 ILE 68 72.336 0.968 20.283 498 HG23 ILE 68 HG23 ILE 68 70.978 1.163 21.391 499 HD11 ILE 68 HD11 ILE 68 68.744 -1.209 18.173 500 HD12 ILE 68 HD12 ILE 68 69.491 -0.352 16.836 501 HD13 ILE 68 HD13 ILE 68 69.014 0.536 18.284 502 H HIS 69 HN HIS 69 69.993 -2.673 19.240 503 HA HIS 69 HA HIS 69 69.020 -4.657 21.020 504 HB2 HIS 69 HB2 HIS 69 67.614 -3.935 19.221 505 HB3 HIS 69 HB1 HIS 69 68.835 -4.364 18.021 506 HD2 HIS 69 HD2 HIS 69 68.636 -6.975 17.102 507 HE1 HIS 69 HE1 HIS 69 66.016 -8.426 20.077 508 HE2 HIS 69 HE2 HIS 69 67.207 -9.004 17.910 509 H HIS 70 HN HIS 70 69.888 -6.518 21.600 510 HA HIS 70 HA HIS 70 72.330 -7.512 20.428 511 HB2 HIS 70 HB2 HIS 70 70.495 -8.579 22.581 512 HB3 HIS 70 HB1 HIS 70 72.001 -9.361 22.101 513 HD2 HIS 70 HD2 HIS 70 74.341 -8.088 23.021 514 HE1 HIS 70 HE1 HIS 70 72.419 -4.959 25.094 515 HE2 HIS 70 HE2 HIS 70 74.647 -6.093 24.670 516 H GLN 71 HN GLN 71 72.613 -9.320 19.168 517 HA GLN 71 HA GLN 71 70.399 -11.096 18.507 518 HB2 GLN 71 HB2 GLN 71 70.403 -8.953 16.933 519 HB3 GLN 71 HB1 GLN 71 71.769 -9.764 16.176 520 HG2 GLN 71 HG2 GLN 71 70.276 -11.814 15.921 521 HG3 GLN 71 HG1 GLN 71 68.928 -10.806 16.442 522 HE21 GLN 71 HE21 GLN 71 68.995 -11.974 13.844 523 HE22 GLN 71 HE22 GLN 71 69.141 -10.724 12.706 524 H HIS 72 HN HIS 72 71.082 -13.051 17.696 525 HA HIS 72 HA HIS 72 73.813 -13.771 18.217 526 HB2 HIS 72 HB2 HIS 72 71.538 -15.333 16.969 527 HB3 HIS 72 HB1 HIS 72 73.089 -16.017 17.456 528 HD2 HIS 72 HD2 HIS 72 69.690 -15.178 19.031 529 HE1 HIS 72 HE1 HIS 72 72.346 -15.838 22.237 530 HE2 HIS 72 HE2 HIS 72 69.906 -15.552 21.606 531 H HIS 73 HN HIS 73 75.459 -14.098 16.807 532 HA HIS 73 HA HIS 73 75.413 -12.882 14.263 533 HB2 HIS 73 HB2 HIS 73 77.335 -14.801 15.575 534 HB3 HIS 73 HB1 HIS 73 77.605 -14.160 13.953 535 HD2 HIS 73 HD2 HIS 73 77.982 -13.024 17.633 536 HE1 HIS 73 HE1 HIS 73 78.649 -9.621 15.222 537 HE2 HIS 73 HE2 HIS 73 78.798 -10.544 17.582 538 H HIS 74 HN HIS 74 75.208 -16.291 15.240 539 HA HIS 74 HA HIS 74 75.096 -17.315 12.571 540 HB2 HIS 74 HB2 HIS 74 74.328 -18.506 15.243 541 HB3 HIS 74 HB1 HIS 74 74.288 -19.401 13.722 542 HD2 HIS 74 HD2 HIS 74 76.796 -20.237 12.783 543 HE1 HIS 74 HE1 HIS 74 79.105 -18.400 15.796 544 HE2 HIS 74 HE2 HIS 74 79.181 -19.981 13.814 545 H GLY 75 HN GLY 75 73.351 -17.863 11.324 546 HA2 GLY 75 HA2 GLY 75 70.966 -16.381 11.602 547 HA3 GLY 75 HA1 GLY 75 71.215 -17.715 10.482 548 H GLY 76 HN GLY 76 71.821 -19.686 12.493 549 HA2 GLY 76 HA2 GLY 76 69.712 -19.855 14.415 550 HA3 GLY 76 HA1 GLY 76 69.344 -20.811 12.982 551 H SER 77 HN SER 77 69.554 -22.159 15.290 552 HA SER 77 HA SER 77 72.196 -23.086 15.894 553 HB2 SER 77 HB2 SER 77 71.087 -24.718 17.291 554 HB3 SER 77 HB1 SER 77 70.256 -23.176 17.475 555 HG SER 77 HG SER 77 68.941 -25.147 17.076 556 H MET 78 HN MET 78 72.953 -25.288 15.571 557 HA MET 78 HA MET 78 72.655 -26.148 12.843 558 HB2 MET 78 HB2 MET 78 74.092 -27.387 15.209 559 HB3 MET 78 HB1 MET 78 74.171 -28.021 13.573 560 HG2 MET 78 HG2 MET 78 75.204 -25.943 12.769 561 HG3 MET 78 HG1 MET 78 75.038 -25.213 14.363 562 HE1 MET 78 HE1 MET 78 77.172 -25.081 15.871 563 HE2 MET 78 HE2 MET 78 77.770 -26.617 16.483 564 HE3 MET 78 HE3 MET 78 76.046 -26.277 16.529 565 H GLY 79 HN GLY 79 71.512 -27.825 12.024 566 HA2 GLY 79 HA2 GLY 79 70.057 -29.612 11.912 567 HA3 GLY 79 HA1 GLY 79 70.377 -29.919 13.617 568 H MET 80 HN MET 80 67.955 -30.402 13.359 569 HA MET 80 HA MET 80 66.132 -28.188 13.163 570 HB2 MET 80 HB2 MET 80 65.780 -31.023 14.179 571 HB3 MET 80 HB1 MET 80 64.464 -29.869 14.030 572 HG2 MET 80 HG2 MET 80 64.786 -29.726 11.612 573 HG3 MET 80 HG1 MET 80 66.217 -30.748 11.704 574 HE1 MET 80 HE1 MET 80 65.009 -34.267 12.045 575 HE2 MET 80 HE2 MET 80 66.181 -33.153 12.737 576 HE3 MET 80 HE3 MET 80 65.990 -33.247 10.988 577 H SER 81 HN SER 81 65.059 -27.103 14.784 578 HA SER 81 HA SER 81 66.445 -26.618 17.183 579 HB2 SER 81 HB2 SER 81 65.018 -24.898 16.406 580 HB3 SER 81 HB1 SER 81 63.641 -25.989 16.271 581 HG SER 81 HG SER 81 63.373 -24.880 18.157 582 H GLY 82 HN GLY 82 63.566 -28.591 16.515 583 HA2 GLY 82 HA2 GLY 82 64.145 -30.406 18.646 584 HA3 GLY 82 HA1 GLY 82 62.829 -29.318 19.080 585 H SER 83 HN SER 83 62.325 -31.988 18.951 586 HA SER 83 HA SER 83 61.366 -32.853 16.393 587 HB2 SER 83 HB2 SER 83 60.451 -34.738 17.595 588 HB3 SER 83 HB1 SER 83 62.050 -34.388 18.244 589 HG SER 83 HG SER 83 59.587 -33.462 19.319 590 H GLY 84 HN GLY 84 59.090 -33.377 15.962 591 HA2 GLY 84 HA2 GLY 84 56.834 -32.896 15.862 592 HA3 GLY 84 HA1 GLY 84 56.980 -32.074 17.411 593 H THR 85 HN THR 85 55.355 -30.948 15.597 594 HA THR 85 HA THR 85 56.669 -29.014 13.911 595 HB THR 85 HB THR 85 54.287 -28.075 13.781 596 HG1 THR 85 HG1 THR 85 53.261 -28.811 15.500 597 HG21 THR 85 HG21 THR 85 55.052 -30.879 12.974 598 HG22 THR 85 HG22 THR 85 54.941 -29.434 11.973 599 HG23 THR 85 HG23 THR 85 53.474 -30.212 12.561 600 H GLY 86 HN GLY 86 56.230 -26.665 14.144 601 HA2 GLY 86 HA2 GLY 86 56.157 -24.674 15.319 602 HA3 GLY 86 HA1 GLY 86 55.667 -25.566 16.754 603 H TYR 87 HN TYR 87 58.401 -26.866 15.247 604 HA TYR 87 HA TYR 87 60.413 -25.261 16.620 605 HB2 TYR 87 HB2 TYR 87 59.791 -28.112 17.412 606 HB3 TYR 87 HB1 TYR 87 61.349 -27.375 17.714 607 HD1 TYR 87 HD2 TYR 87 61.529 -25.332 19.194 608 HD2 TYR 87 HD1 TYR 87 57.824 -27.501 18.794 609 HE1 TYR 87 HE2 TYR 87 60.649 -24.219 21.218 610 HE2 TYR 87 HE1 TYR 87 56.960 -26.382 20.814 611 HH TYR 87 HH TYR 87 58.948 -24.039 22.622 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 38.953 5.451 7.609 2 H2 MET 1 HT2 MET 1 39.104 3.821 8.063 3 H3 MET 1 HT3 MET 1 38.599 4.224 6.493 4 HA MET 1 HA MET 1 41.118 3.597 7.156 5 HB2 MET 1 HB2 MET 1 39.997 5.363 4.965 6 HB3 MET 1 HB1 MET 1 41.687 4.872 4.992 7 HG2 MET 1 HG2 MET 1 39.514 2.797 5.221 8 HG3 MET 1 HG1 MET 1 39.956 3.433 3.644 9 HE1 MET 1 HE1 MET 1 43.349 2.096 2.839 10 HE2 MET 1 HE2 MET 1 42.437 3.599 2.831 11 HE3 MET 1 HE3 MET 1 41.698 2.123 2.212 12 H GLY 2 HN GLY 2 39.888 6.930 6.844 13 HA2 GLY 2 HA2 GLY 2 42.364 8.173 7.520 14 HA3 GLY 2 HA1 GLY 2 40.784 8.952 7.506 15 H ALA 3 HN ALA 3 42.787 9.423 9.441 16 HA ALA 3 HA ALA 3 43.176 9.553 11.694 17 HB1 ALA 3 HB1 ALA 3 41.009 10.693 11.570 18 HB2 ALA 3 HB2 ALA 3 41.197 9.831 13.094 19 HB3 ALA 3 HB3 ALA 3 40.170 9.166 11.828 20 HA PRO 4 HA PRO 4 42.977 4.821 12.168 21 HB2 PRO 4 HB2 PRO 4 45.784 5.180 13.016 22 HB3 PRO 4 HB1 PRO 4 45.101 4.031 11.858 23 HG2 PRO 4 HG2 PRO 4 46.602 6.155 11.148 24 HG3 PRO 4 HG1 PRO 4 45.351 5.451 10.113 25 HD2 PRO 4 HD2 PRO 4 45.309 7.997 11.649 26 HD3 PRO 4 HD1 PRO 4 44.458 7.546 10.157 27 H VAL 5 HN VAL 5 42.828 3.714 14.126 28 HA VAL 5 HA VAL 5 43.477 5.106 16.659 29 HB VAL 5 HB VAL 5 40.793 3.735 16.194 30 HG11 VAL 5 HG11 VAL 5 40.107 4.877 18.218 31 HG12 VAL 5 HG12 VAL 5 41.630 5.747 18.316 32 HG13 VAL 5 HG13 VAL 5 41.587 4.011 18.580 33 HG21 VAL 5 HG21 VAL 5 40.661 5.600 14.741 34 HG22 VAL 5 HG22 VAL 5 41.541 6.645 15.861 35 HG23 VAL 5 HG23 VAL 5 39.905 6.129 16.238 36 HA PRO 6 HA PRO 6 44.928 0.568 16.393 37 HB2 PRO 6 HB2 PRO 6 47.044 1.655 18.162 38 HB3 PRO 6 HB1 PRO 6 47.185 0.585 16.759 39 HG2 PRO 6 HG2 PRO 6 47.888 3.159 16.684 40 HG3 PRO 6 HG1 PRO 6 47.226 2.309 15.280 41 HD2 PRO 6 HD2 PRO 6 45.936 4.335 17.039 42 HD3 PRO 6 HD1 PRO 6 45.657 3.970 15.328 43 H TYR 7 HN TYR 7 44.960 2.795 19.163 44 HA TYR 7 HA TYR 7 44.296 2.558 21.352 45 HB2 TYR 7 HB2 TYR 7 42.236 1.923 19.933 46 HB3 TYR 7 HB1 TYR 7 42.500 0.301 20.462 47 HD1 TYR 7 HD2 TYR 7 41.661 3.736 21.548 48 HD2 TYR 7 HD1 TYR 7 42.178 -0.344 22.856 49 HE1 TYR 7 HE2 TYR 7 40.535 4.265 23.675 50 HE2 TYR 7 HE1 TYR 7 41.052 0.203 24.974 51 HH TYR 7 HH TYR 7 40.132 1.788 26.215 52 HA PRO 8 HA PRO 8 46.940 -1.309 21.866 53 HB2 PRO 8 HB2 PRO 8 49.161 -0.309 23.015 54 HB3 PRO 8 HB1 PRO 8 48.880 -0.190 21.268 55 HG2 PRO 8 HG2 PRO 8 48.470 1.851 23.387 56 HG3 PRO 8 HG1 PRO 8 49.224 2.022 21.793 57 HD2 PRO 8 HD2 PRO 8 46.629 2.743 22.330 58 HD3 PRO 8 HD1 PRO 8 47.187 2.264 20.713 59 H ASP 9 HN ASP 9 48.066 -2.068 23.997 60 HA ASP 9 HA ASP 9 46.056 -2.002 26.038 61 HB2 ASP 9 HB2 ASP 9 48.462 -3.258 26.985 62 HB3 ASP 9 HB1 ASP 9 46.928 -4.005 26.553 63 HA PRO 10 HA PRO 10 47.850 1.226 28.594 64 HB2 PRO 10 HB2 PRO 10 47.614 0.309 31.175 65 HB3 PRO 10 HB1 PRO 10 46.266 0.974 30.236 66 HG2 PRO 10 HG2 PRO 10 46.968 -1.855 30.805 67 HG3 PRO 10 HG1 PRO 10 45.380 -1.081 30.695 68 HD2 PRO 10 HD2 PRO 10 46.421 -2.613 28.702 69 HD3 PRO 10 HD1 PRO 10 45.282 -1.284 28.409 70 H LEU 11 HN LEU 11 49.111 -1.969 28.827 71 HA LEU 11 HA LEU 11 51.311 -1.533 30.555 72 HB2 LEU 11 HB2 LEU 11 51.246 -3.446 28.218 73 HB3 LEU 11 HB1 LEU 11 52.213 -3.608 29.671 74 HG LEU 11 HG LEU 11 49.179 -3.906 29.437 75 HD11 LEU 11 HD11 LEU 11 49.521 -6.190 30.078 76 HD12 LEU 11 HD12 LEU 11 51.233 -5.919 30.374 77 HD13 LEU 11 HD13 LEU 11 50.601 -5.859 28.728 78 HD21 LEU 11 HD21 LEU 11 49.432 -4.680 31.905 79 HD22 LEU 11 HD22 LEU 11 49.381 -2.950 31.593 80 HD23 LEU 11 HD23 LEU 11 50.924 -3.745 31.905 81 H GLU 12 HN GLU 12 50.897 -1.093 27.103 82 HA GLU 12 HA GLU 12 52.190 -0.184 25.452 83 HB2 GLU 12 HB2 GLU 12 52.995 1.575 27.782 84 HB3 GLU 12 HB1 GLU 12 53.393 1.911 26.107 85 HG2 GLU 12 HG2 GLU 12 51.070 2.144 25.512 86 HG3 GLU 12 HG1 GLU 12 50.546 1.538 27.080 87 HA PRO 13 HA PRO 13 56.007 -2.646 26.852 88 HB2 PRO 13 HB2 PRO 13 55.832 -3.716 24.102 89 HB3 PRO 13 HB1 PRO 13 56.030 -4.578 25.635 90 HG2 PRO 13 HG2 PRO 13 53.742 -4.601 24.221 91 HG3 PRO 13 HG1 PRO 13 53.794 -4.747 25.984 92 HD2 PRO 13 HD2 PRO 13 52.968 -2.427 24.311 93 HD3 PRO 13 HD1 PRO 13 52.436 -2.912 25.934 94 H ARG 14 HN ARG 14 58.102 -2.089 26.373 95 HA ARG 14 HA ARG 14 58.593 0.258 24.858 96 HB2 ARG 14 HB2 ARG 14 60.445 -1.835 26.029 97 HB3 ARG 14 HB1 ARG 14 61.033 -0.373 25.243 98 HG2 ARG 14 HG2 ARG 14 59.854 1.031 26.897 99 HG3 ARG 14 HG1 ARG 14 59.158 -0.397 27.649 100 HD2 ARG 14 HD2 ARG 14 61.414 -1.163 28.305 101 HD3 ARG 14 HD1 ARG 14 62.135 0.232 27.519 102 HE ARG 14 HE ARG 14 60.858 0.142 30.103 103 HH11 ARG 14 HH21 ARG 14 61.572 2.182 27.405 104 HH12 ARG 14 HH22 ARG 14 61.516 3.644 28.331 105 HH21 ARG 14 HH11 ARG 14 60.812 2.033 31.319 106 HH22 ARG 14 HH12 ARG 14 61.085 3.558 30.547 107 H GLY 15 HN GLY 15 59.011 -3.179 24.173 108 HA2 GLY 15 HA2 GLY 15 59.208 -4.277 22.152 109 HA3 GLY 15 HA1 GLY 15 58.908 -2.744 21.343 110 H GLY 16 HN GLY 16 60.643 -4.042 19.996 111 HA2 GLY 16 HA2 GLY 16 63.350 -3.993 20.885 112 HA3 GLY 16 HA1 GLY 16 62.813 -4.173 19.218 113 H LYS 17 HN LYS 17 64.910 -2.508 20.686 114 HA LYS 17 HA LYS 17 64.177 0.222 20.327 115 HB2 LYS 17 HB2 LYS 17 66.963 -0.974 20.275 116 HB3 LYS 17 HB1 LYS 17 66.551 0.684 20.662 117 HG2 LYS 17 HG2 LYS 17 65.935 -1.800 22.324 118 HG3 LYS 17 HG1 LYS 17 67.096 -0.551 22.703 119 HD2 LYS 17 HD2 LYS 17 65.037 1.070 22.688 120 HD3 LYS 17 HD1 LYS 17 64.080 -0.408 22.800 121 HE2 LYS 17 HE2 LYS 17 65.509 -1.050 24.798 122 HE3 LYS 17 HE1 LYS 17 66.116 0.611 24.785 123 HZ1 LYS 17 HZ1 LYS 17 63.778 1.354 24.832 124 HZ2 LYS 17 HZ2 LYS 17 64.250 0.512 26.231 125 HZ3 LYS 17 HZ3 LYS 17 63.297 -0.257 25.052 126 H HIS 18 HN HIS 18 66.135 -2.032 18.434 127 HA HIS 18 HA HIS 18 66.816 -0.493 16.309 128 HB2 HIS 18 HB2 HIS 18 66.905 -3.180 16.827 129 HB3 HIS 18 HB1 HIS 18 65.799 -3.133 15.469 130 HD2 HIS 18 HD2 HIS 18 67.488 -0.697 13.799 131 HE1 HIS 18 HE1 HIS 18 70.613 -3.508 13.880 132 H ILE 19 HN ILE 19 63.563 -1.456 17.025 133 HA ILE 19 HA ILE 19 62.601 -0.526 14.397 134 HB ILE 19 HB ILE 19 61.190 -2.181 16.501 135 HG12 ILE 19 HG12 ILE 19 62.893 -3.533 15.390 136 HG13 ILE 19 HG11 ILE 19 61.296 -4.069 14.935 137 HG21 ILE 19 HG21 ILE 19 60.174 -0.964 13.953 138 HG22 ILE 19 HG22 ILE 19 59.374 -1.189 15.507 139 HG23 ILE 19 HG23 ILE 19 59.587 -2.560 14.427 140 HD11 ILE 19 HD11 ILE 19 61.758 -2.464 12.810 141 HD12 ILE 19 HD12 ILE 19 62.341 -4.108 12.883 142 HD13 ILE 19 HD13 ILE 19 63.420 -2.774 13.274 143 H CYS 20 HN CYS 20 62.116 1.510 14.405 144 HA CYS 20 HA CYS 20 61.353 2.937 16.800 145 HB2 CYS 20 HB2 CYS 20 62.613 4.131 15.120 146 HB3 CYS 20 HB1 CYS 20 61.471 3.715 13.892 147 H ALA 21 HN ALA 21 59.274 3.904 17.156 148 HA ALA 21 HA ALA 21 57.091 2.142 16.510 149 HB1 ALA 21 HB1 ALA 21 56.964 4.845 17.843 150 HB2 ALA 21 HB2 ALA 21 57.416 3.366 18.692 151 HB3 ALA 21 HB3 ALA 21 55.809 3.518 17.980 152 H ILE 22 HN ILE 22 58.460 4.898 15.099 153 HA ILE 22 HA ILE 22 56.084 5.518 13.456 154 HB ILE 22 HB ILE 22 58.374 7.275 14.387 155 HG12 ILE 22 HG12 ILE 22 55.464 7.956 14.719 156 HG13 ILE 22 HG11 ILE 22 56.136 6.747 15.792 157 HG21 ILE 22 HG21 ILE 22 58.038 8.226 12.265 158 HG22 ILE 22 HG22 ILE 22 56.840 9.097 13.190 159 HG23 ILE 22 HG23 ILE 22 56.346 7.743 12.190 160 HD11 ILE 22 HD11 ILE 22 56.198 9.145 16.644 161 HD12 ILE 22 HD12 ILE 22 57.423 9.464 15.421 162 HD13 ILE 22 HD13 ILE 22 57.734 8.284 16.698 163 H CYS 23 HN CYS 23 59.496 6.362 13.002 164 HA CYS 23 HA CYS 23 59.464 6.020 10.235 165 HB2 CYS 23 HB2 CYS 23 62.015 5.773 11.712 166 HB3 CYS 23 HB1 CYS 23 61.644 6.732 10.286 167 H GLY 24 HN GLY 24 59.658 3.664 12.635 168 HA2 GLY 24 HA2 GLY 24 59.754 1.371 12.419 169 HA3 GLY 24 HA1 GLY 24 60.023 1.564 10.709 170 H ASN 25 HN ASN 25 62.455 3.452 11.735 171 HA ASN 25 HA ASN 25 64.279 1.519 12.827 172 HB2 ASN 25 HB2 ASN 25 65.743 1.451 10.762 173 HB3 ASN 25 HB1 ASN 25 64.259 0.552 10.657 174 HD21 ASN 25 HD21 ASN 25 64.293 0.787 8.289 175 HD22 ASN 25 HD22 ASN 25 63.878 2.268 7.571 176 H ASN 26 HN ASN 26 63.574 4.551 13.029 177 HA ASN 26 HA ASN 26 66.323 5.685 12.713 178 HB2 ASN 26 HB2 ASN 26 63.686 6.986 13.165 179 HB3 ASN 26 HB1 ASN 26 65.175 7.840 13.423 180 HD21 ASN 26 HD21 ASN 26 63.826 5.684 10.838 181 HD22 ASN 26 HD22 ASN 26 64.420 6.637 9.567 182 H ALA 27 HN ALA 27 64.695 3.981 14.969 183 HA ALA 27 HA ALA 27 65.403 5.480 17.354 184 HB1 ALA 27 HB1 ALA 27 64.138 2.820 16.764 185 HB2 ALA 27 HB2 ALA 27 63.453 4.221 17.578 186 HB3 ALA 27 HB3 ALA 27 64.625 3.226 18.412 187 H GLU 28 HN GLU 28 67.664 5.391 16.038 188 HA GLU 28 HA GLU 28 69.427 3.859 17.692 189 HB2 GLU 28 HB2 GLU 28 70.431 2.420 16.087 190 HB3 GLU 28 HB1 GLU 28 68.713 2.154 15.933 191 HG2 GLU 28 HG2 GLU 28 68.855 3.984 14.038 192 HG3 GLU 28 HG1 GLU 28 70.572 3.561 14.027 193 H ASP 29 HN ASP 29 68.725 6.419 15.628 194 HA ASP 29 HA ASP 29 71.398 7.522 15.964 195 HB2 ASP 29 HB2 ASP 29 71.468 6.124 13.836 196 HB3 ASP 29 HB1 ASP 29 70.294 7.218 13.135 197 H TYR 30 HN TYR 30 70.198 9.194 13.416 198 HA TYR 30 HA TYR 30 69.388 11.433 14.985 199 HB2 TYR 30 HB2 TYR 30 69.205 10.890 12.013 200 HB3 TYR 30 HB1 TYR 30 68.944 12.450 12.757 201 HD1 TYR 30 HD2 TYR 30 70.811 13.508 14.139 202 HD2 TYR 30 HD1 TYR 30 71.508 10.149 11.530 203 HE1 TYR 30 HE2 TYR 30 73.239 13.993 14.139 204 HE2 TYR 30 HE1 TYR 30 73.918 10.637 11.545 205 HH TYR 30 HH TYR 30 75.246 13.420 12.352 206 H LYS 31 HN LYS 31 67.396 12.262 15.307 207 HA LYS 31 HA LYS 31 65.045 10.578 14.670 208 HB2 LYS 31 HB2 LYS 31 65.583 12.544 16.920 209 HB3 LYS 31 HB1 LYS 31 64.047 11.733 16.678 210 HG2 LYS 31 HG2 LYS 31 65.180 9.517 16.968 211 HG3 LYS 31 HG1 LYS 31 66.700 10.359 17.255 212 HD2 LYS 31 HD2 LYS 31 65.713 11.461 19.257 213 HD3 LYS 31 HD1 LYS 31 64.191 10.625 18.969 214 HE2 LYS 31 HE2 LYS 31 65.311 8.448 19.310 215 HE3 LYS 31 HE1 LYS 31 66.845 9.276 19.587 216 HZ1 LYS 31 HZ1 LYS 31 65.595 10.539 21.375 217 HZ2 LYS 31 HZ2 LYS 31 65.969 8.912 21.694 218 HZ3 LYS 31 HZ3 LYS 31 64.395 9.349 21.231 219 H HIS 32 HN HIS 32 65.946 12.178 12.651 220 HA HIS 32 HA HIS 32 64.571 14.737 12.687 221 HB2 HIS 32 HB2 HIS 32 66.262 13.245 10.749 222 HB3 HIS 32 HB1 HIS 32 65.169 14.481 10.126 223 HD2 HIS 32 HD2 HIS 32 65.931 17.131 10.696 224 HE1 HIS 32 HE1 HIS 32 69.350 16.177 12.984 225 HE2 HIS 32 HE2 HIS 32 68.053 18.071 11.899 226 H THR 33 HN THR 33 64.032 11.541 11.312 227 HA THR 33 HA THR 33 61.705 12.348 9.793 228 HB THR 33 HB THR 33 61.453 9.826 9.536 229 HG1 THR 33 HG1 THR 33 64.066 9.640 10.456 230 HG21 THR 33 HG21 THR 33 63.664 9.688 8.188 231 HG22 THR 33 HG22 THR 33 63.909 11.360 8.681 232 HG23 THR 33 HG23 THR 33 62.495 10.921 7.726 233 H ASP 34 HN ASP 34 62.295 11.632 13.058 234 HA ASP 34 HA ASP 34 59.886 10.262 13.714 235 HB2 ASP 34 HB2 ASP 34 61.859 11.891 15.271 236 HB3 ASP 34 HB1 ASP 34 60.341 11.441 16.024 237 H MET 35 HN MET 35 60.686 13.655 13.366 238 HA MET 35 HA MET 35 58.257 14.672 14.452 239 HB2 MET 35 HB2 MET 35 60.342 15.836 12.596 240 HB3 MET 35 HB1 MET 35 58.897 16.736 13.045 241 HG2 MET 35 HG2 MET 35 60.634 15.501 15.179 242 HG3 MET 35 HG1 MET 35 61.078 17.044 14.465 243 HE1 MET 35 HE1 MET 35 59.400 19.033 14.225 244 HE2 MET 35 HE2 MET 35 60.361 19.234 15.691 245 HE3 MET 35 HE3 MET 35 58.637 19.578 15.724 246 H ASP 36 HN ASP 36 59.277 13.781 11.196 247 HA ASP 36 HA ASP 36 56.754 14.558 9.973 248 HB2 ASP 36 HB2 ASP 36 58.886 14.786 8.758 249 HB3 ASP 36 HB1 ASP 36 59.109 13.038 8.838 250 H LEU 37 HN LEU 37 55.020 13.341 10.232 251 HA LEU 37 HA LEU 37 55.113 10.549 10.942 252 HB2 LEU 37 HB2 LEU 37 52.694 12.029 9.910 253 HB3 LEU 37 HB1 LEU 37 52.722 10.652 10.997 254 HG LEU 37 HG LEU 37 53.554 13.516 11.642 255 HD11 LEU 37 HD11 LEU 37 51.411 11.816 12.930 256 HD12 LEU 37 HD12 LEU 37 51.097 12.994 11.658 257 HD13 LEU 37 HD13 LEU 37 51.740 13.522 13.207 258 HD21 LEU 37 HD21 LEU 37 55.098 12.288 12.952 259 HD22 LEU 37 HD22 LEU 37 53.948 10.981 13.249 260 HD23 LEU 37 HD23 LEU 37 53.737 12.534 14.041 261 H THR 38 HN THR 38 54.242 8.839 9.706 262 HA THR 38 HA THR 38 54.187 9.192 6.758 263 HB THR 38 HB THR 38 55.598 7.293 6.430 264 HG1 THR 38 HG1 THR 38 56.219 5.989 8.093 265 HG21 THR 38 HG21 THR 38 56.712 9.511 7.176 266 HG22 THR 38 HG22 THR 38 57.684 8.048 7.261 267 HG23 THR 38 HG23 THR 38 56.965 8.708 8.725 268 H TYR 39 HN TYR 39 52.995 7.656 5.628 269 HA TYR 39 HA TYR 39 50.599 6.854 6.872 270 HB2 TYR 39 HB2 TYR 39 51.842 5.984 4.255 271 HB3 TYR 39 HB1 TYR 39 50.210 5.589 4.749 272 HD1 TYR 39 HD2 TYR 39 48.451 7.358 4.936 273 HD2 TYR 39 HD1 TYR 39 52.461 8.332 3.673 274 HE1 TYR 39 HE2 TYR 39 47.683 9.559 4.152 275 HE2 TYR 39 HE1 TYR 39 51.673 10.531 2.899 276 HH TYR 39 HH TYR 39 48.714 11.300 2.216 277 H THR 40 HN THR 40 53.517 5.067 5.994 278 HA THR 40 HA THR 40 52.741 2.840 7.789 279 HB THR 40 HB THR 40 53.396 1.190 6.188 280 HG1 THR 40 HG1 THR 40 55.015 1.869 5.028 281 HG21 THR 40 HG21 THR 40 51.749 1.417 4.496 282 HG22 THR 40 HG22 THR 40 51.870 3.170 4.489 283 HG23 THR 40 HG23 THR 40 51.110 2.344 5.848 284 H ASP 41 HN ASP 41 54.482 1.626 8.586 285 HA ASP 41 HA ASP 41 56.871 3.214 9.104 286 HB2 ASP 41 HB2 ASP 41 56.170 0.437 10.078 287 HB3 ASP 41 HB1 ASP 41 57.359 1.540 10.768 288 H ARG 42 HN ARG 42 56.221 1.767 6.446 289 HA ARG 42 HA ARG 42 58.848 0.424 6.084 290 HB2 ARG 42 HB2 ARG 42 56.170 -0.301 4.864 291 HB3 ARG 42 HB1 ARG 42 57.715 -0.958 4.333 292 HG2 ARG 42 HG2 ARG 42 58.087 -1.984 6.538 293 HG3 ARG 42 HG1 ARG 42 56.636 -1.216 7.173 294 HD2 ARG 42 HD2 ARG 42 56.615 -3.203 4.879 295 HD3 ARG 42 HD1 ARG 42 56.354 -3.644 6.560 296 HE ARG 42 HE ARG 42 54.575 -1.577 5.997 297 HH11 ARG 42 HH21 ARG 42 55.236 -4.804 4.943 298 HH12 ARG 42 HH22 ARG 42 53.592 -5.143 4.516 299 HH21 ARG 42 HH11 ARG 42 52.429 -2.015 5.441 300 HH22 ARG 42 HH12 ARG 42 52.004 -3.565 4.799 301 H ASP 43 HN ASP 43 59.993 0.966 4.325 302 HA ASP 43 HA ASP 43 59.425 3.461 3.066 303 HB2 ASP 43 HB2 ASP 43 61.498 1.338 2.462 304 HB3 ASP 43 HB1 ASP 43 61.455 2.929 1.706 305 H TYR 44 HN TYR 44 58.873 3.902 0.941 306 HA TYR 44 HA TYR 44 56.967 2.221 -0.259 307 HB2 TYR 44 HB2 TYR 44 58.580 4.479 -1.465 308 HB3 TYR 44 HB1 TYR 44 57.176 3.748 -2.211 309 HD1 TYR 44 HD2 TYR 44 54.895 4.063 -1.252 310 HD2 TYR 44 HD1 TYR 44 58.343 5.907 0.569 311 HE1 TYR 44 HE2 TYR 44 53.420 5.529 0.078 312 HE2 TYR 44 HE1 TYR 44 56.860 7.361 1.890 313 HH TYR 44 HH TYR 44 54.106 6.958 2.685 314 H LYS 45 HN LYS 45 60.383 2.799 -1.023 315 HA LYS 45 HA LYS 45 60.638 0.163 -2.204 316 HB2 LYS 45 HB2 LYS 45 59.856 1.870 -4.047 317 HB3 LYS 45 HB1 LYS 45 61.486 2.511 -3.912 318 HG2 LYS 45 HG2 LYS 45 62.412 0.263 -4.469 319 HG3 LYS 45 HG1 LYS 45 60.778 -0.377 -4.611 320 HD2 LYS 45 HD2 LYS 45 60.306 1.173 -6.486 321 HD3 LYS 45 HD1 LYS 45 61.936 1.834 -6.357 322 HE2 LYS 45 HE2 LYS 45 62.877 -0.404 -6.892 323 HE3 LYS 45 HE1 LYS 45 61.242 -1.051 -7.043 324 HZ1 LYS 45 HZ1 LYS 45 60.917 0.835 -8.709 325 HZ2 LYS 45 HZ2 LYS 45 61.832 -0.513 -9.193 326 HZ3 LYS 45 HZ3 LYS 45 62.611 0.927 -8.741 327 H ASN 46 HN ASN 46 62.495 -0.655 -1.583 328 HA ASN 46 HA ASN 46 64.586 1.047 -0.423 329 HB2 ASN 46 HB2 ASN 46 64.180 -1.951 -0.516 330 HB3 ASN 46 HB1 ASN 46 65.578 -1.172 0.220 331 HD21 ASN 46 HD21 ASN 46 62.794 -2.591 1.152 332 HD22 ASN 46 HD22 ASN 46 62.391 -1.637 2.496 333 H CYS 47 HN CYS 47 65.528 2.006 -2.225 334 HA CYS 47 HA CYS 47 66.329 0.600 -4.555 335 HB2 CYS 47 HB2 CYS 47 67.390 3.183 -3.390 336 HB3 CYS 47 HB1 CYS 47 67.676 2.605 -5.029 337 HG CYS 47 HG CYS 47 64.740 3.082 -4.089 338 H GLU 48 HN GLU 48 68.243 1.814 -1.800 339 HA GLU 48 HA GLU 48 70.601 0.310 -2.588 340 HB2 GLU 48 HB2 GLU 48 69.938 2.077 -0.224 341 HB3 GLU 48 HB1 GLU 48 71.460 1.206 -0.351 342 HG2 GLU 48 HG2 GLU 48 70.539 2.958 -2.629 343 HG3 GLU 48 HG1 GLU 48 71.312 3.682 -1.226 344 H SER 49 HN SER 49 71.473 -1.465 -1.521 345 HA SER 49 HA SER 49 70.255 -2.627 0.818 346 HB2 SER 49 HB2 SER 49 69.594 -4.748 -0.356 347 HB3 SER 49 HB1 SER 49 68.581 -3.368 -0.761 348 HG SER 49 HG SER 49 70.392 -4.784 -2.303 349 H TYR 50 HN TYR 50 71.372 -4.547 1.543 350 HA TYR 50 HA TYR 50 73.792 -5.396 0.156 351 HB2 TYR 50 HB2 TYR 50 73.793 -3.795 2.688 352 HB3 TYR 50 HB1 TYR 50 74.993 -5.049 2.475 353 HD1 TYR 50 HD2 TYR 50 76.619 -4.962 0.545 354 HD2 TYR 50 HD1 TYR 50 73.883 -1.716 1.338 355 HE1 TYR 50 HE2 TYR 50 77.943 -3.471 -0.908 356 HE2 TYR 50 HE1 TYR 50 75.215 -0.250 -0.120 357 HH TYR 50 HH TYR 50 77.238 -0.025 -1.170 358 H HIS 51 HN HIS 51 74.552 -7.362 0.827 359 HA HIS 51 HA HIS 51 72.651 -9.167 1.907 360 HB2 HIS 51 HB2 HIS 51 75.463 -9.283 0.960 361 HB3 HIS 51 HB1 HIS 51 74.945 -10.569 2.048 362 HD2 HIS 51 HD2 HIS 51 73.263 -12.467 0.877 363 HE1 HIS 51 HE1 HIS 51 72.692 -10.491 -2.809 364 HE2 HIS 51 HE2 HIS 51 72.243 -12.633 -1.516 365 H LYS 52 HN LYS 52 75.351 -7.396 3.272 366 HA LYS 52 HA LYS 52 75.596 -8.872 5.677 367 HB2 LYS 52 HB2 LYS 52 76.287 -5.986 5.055 368 HB3 LYS 52 HB1 LYS 52 76.770 -6.825 6.527 369 HG2 LYS 52 HG2 LYS 52 78.040 -8.488 5.188 370 HG3 LYS 52 HG1 LYS 52 77.531 -7.686 3.705 371 HD2 LYS 52 HD2 LYS 52 78.747 -5.630 4.404 372 HD3 LYS 52 HD1 LYS 52 79.252 -6.439 5.886 373 HE2 LYS 52 HE2 LYS 52 80.491 -8.119 4.551 374 HE3 LYS 52 HE1 LYS 52 79.979 -7.318 3.063 375 HZ1 LYS 52 HZ1 LYS 52 81.617 -5.877 3.283 376 HZ2 LYS 52 HZ2 LYS 52 82.171 -6.720 4.650 377 HZ3 LYS 52 HZ3 LYS 52 81.085 -5.427 4.829 378 H CYS 53 HN CYS 53 73.814 -5.858 4.949 379 HA CYS 53 HA CYS 53 72.829 -5.171 7.388 380 HB2 CYS 53 HB2 CYS 53 72.411 -4.212 4.996 381 HB3 CYS 53 HB1 CYS 53 70.952 -5.191 5.064 382 HG CYS 53 HG CYS 53 69.993 -3.386 6.443 383 H SER 54 HN SER 54 70.876 -5.503 8.514 384 HA SER 54 HA SER 54 70.142 -8.258 8.770 385 HB2 SER 54 HB2 SER 54 68.463 -7.255 10.416 386 HB3 SER 54 HB1 SER 54 70.170 -7.039 10.768 387 HG SER 54 HG SER 54 69.931 -4.970 10.512 388 H ASP 55 HN ASP 55 69.187 -5.892 6.676 389 HA ASP 55 HA ASP 55 67.594 -5.729 5.053 390 HB2 ASP 55 HB2 ASP 55 68.011 -8.273 5.104 391 HB3 ASP 55 HB1 ASP 55 66.439 -8.369 5.862 392 H LEU 56 HN LEU 56 67.050 -4.377 7.284 393 HA LEU 56 HA LEU 56 64.260 -3.993 7.130 394 HB2 LEU 56 HB2 LEU 56 63.712 -4.338 9.514 395 HB3 LEU 56 HB1 LEU 56 64.139 -5.812 8.691 396 HG LEU 56 HG LEU 56 66.613 -5.057 9.723 397 HD11 LEU 56 HD11 LEU 56 64.702 -4.587 11.967 398 HD12 LEU 56 HD12 LEU 56 65.360 -3.230 11.067 399 HD13 LEU 56 HD13 LEU 56 66.425 -4.312 11.940 400 HD21 LEU 56 HD21 LEU 56 64.498 -6.812 10.972 401 HD22 LEU 56 HD22 LEU 56 66.159 -6.722 11.533 402 HD23 LEU 56 HD23 LEU 56 65.823 -7.308 9.907 403 H CYS 57 HN CYS 57 67.244 -3.397 8.860 404 HA CYS 57 HA CYS 57 66.489 -0.652 9.549 405 HB2 CYS 57 HB2 CYS 57 67.502 -1.763 11.321 406 HB3 CYS 57 HB1 CYS 57 68.746 -2.474 10.323 407 H GLN 58 HN GLN 58 66.868 0.919 8.137 408 HA GLN 58 HA GLN 58 68.388 0.526 5.782 409 HB2 GLN 58 HB2 GLN 58 67.811 2.787 5.209 410 HB3 GLN 58 HB1 GLN 58 66.414 2.021 5.950 411 HG2 GLN 58 HG2 GLN 58 67.288 3.112 8.165 412 HG3 GLN 58 HG1 GLN 58 68.232 4.147 7.099 413 HE21 GLN 58 HE21 GLN 58 67.191 6.026 6.496 414 HE22 GLN 58 HE22 GLN 58 65.507 6.229 6.429 415 H TYR 59 HN TYR 59 69.174 2.176 8.809 416 HA TYR 59 HA TYR 59 71.555 3.396 7.828 417 HB2 TYR 59 HB2 TYR 59 70.593 2.849 10.632 418 HB3 TYR 59 HB1 TYR 59 72.041 3.754 10.264 419 HD1 TYR 59 HD2 TYR 59 71.899 5.874 8.881 420 HD2 TYR 59 HD1 TYR 59 68.375 3.921 10.403 421 HE1 TYR 59 HE2 TYR 59 70.584 7.934 8.512 422 HE2 TYR 59 HE1 TYR 59 67.077 5.976 10.025 423 HH TYR 59 HH TYR 59 67.719 8.575 9.890 424 H CYS 60 HN CYS 60 70.855 0.263 9.193 425 HA CYS 60 HA CYS 60 73.412 -0.448 10.057 426 HB2 CYS 60 HB2 CYS 60 70.966 -1.874 9.262 427 HB3 CYS 60 HB1 CYS 60 72.434 -2.806 9.311 428 H ARG 61 HN ARG 61 72.083 -0.086 6.903 429 HA ARG 61 HA ARG 61 73.587 -1.941 5.421 430 HB2 ARG 61 HB2 ARG 61 72.606 0.827 4.647 431 HB3 ARG 61 HB1 ARG 61 73.190 -0.376 3.506 432 HG2 ARG 61 HG2 ARG 61 71.364 -1.912 4.115 433 HG3 ARG 61 HG1 ARG 61 70.801 -0.794 5.347 434 HD2 ARG 61 HD2 ARG 61 70.286 0.876 3.613 435 HD3 ARG 61 HD1 ARG 61 70.847 -0.240 2.369 436 HE ARG 61 HE ARG 61 68.928 -1.612 3.841 437 HH11 ARG 61 HH21 ARG 61 69.122 1.260 1.930 438 HH12 ARG 61 HH22 ARG 61 67.480 1.173 1.385 439 HH21 ARG 61 HH11 ARG 61 66.785 -1.746 3.127 440 HH22 ARG 61 HH12 ARG 61 66.156 -0.530 2.067 441 H TYR 62 HN TYR 62 74.369 1.407 6.329 442 HA TYR 62 HA TYR 62 76.987 1.289 5.030 443 HB2 TYR 62 HB2 TYR 62 75.611 3.483 6.571 444 HB3 TYR 62 HB1 TYR 62 77.167 3.635 5.789 445 HD1 TYR 62 HD1 TYR 62 77.368 3.373 3.279 446 HD2 TYR 62 HD2 TYR 62 73.527 3.565 5.239 447 HE1 TYR 62 HE1 TYR 62 76.276 3.857 1.120 448 HE2 TYR 62 HE2 TYR 62 72.459 4.059 3.082 449 HH TYR 62 HH TYR 62 72.942 4.847 0.913 450 H GLN 63 HN GLN 63 75.691 1.868 8.283 451 HA GLN 63 HA GLN 63 78.223 0.908 9.510 452 HB2 GLN 63 HB2 GLN 63 76.617 3.364 10.261 453 HB3 GLN 63 HB1 GLN 63 77.878 2.670 11.273 454 HG2 GLN 63 HG2 GLN 63 79.554 3.098 9.506 455 HG3 GLN 63 HG1 GLN 63 78.292 3.741 8.459 456 HE21 GLN 63 HE21 GLN 63 80.119 5.599 8.781 457 HE22 GLN 63 HE22 GLN 63 79.732 6.733 9.984 458 H LYS 64 HN LYS 64 77.755 -0.833 10.602 459 HA LYS 64 HA LYS 64 75.217 -1.698 11.401 460 HB2 LYS 64 HB2 LYS 64 77.897 -2.391 12.605 461 HB3 LYS 64 HB1 LYS 64 76.421 -3.280 12.898 462 HG2 LYS 64 HG2 LYS 64 77.772 -2.960 10.180 463 HG3 LYS 64 HG1 LYS 64 77.926 -4.365 11.212 464 HD2 LYS 64 HD2 LYS 64 75.283 -4.486 10.997 465 HD3 LYS 64 HD1 LYS 64 75.536 -3.446 9.612 466 HE2 LYS 64 HE2 LYS 64 77.250 -5.147 8.792 467 HE3 LYS 64 HE1 LYS 64 76.603 -6.237 10.023 468 HZ1 LYS 64 HZ1 LYS 64 74.995 -6.734 8.614 469 HZ2 LYS 64 HZ2 LYS 64 75.512 -5.553 7.506 470 HZ3 LYS 64 HZ3 LYS 64 74.421 -5.144 8.742 471 H ASP 65 HN ASP 65 73.960 -1.438 13.016 472 HA ASP 65 HA ASP 65 74.719 0.359 15.263 473 HB2 ASP 65 HB2 ASP 65 71.888 -0.172 14.576 474 HB3 ASP 65 HB1 ASP 65 72.621 1.273 15.220 475 H LEU 66 HN LEU 66 74.621 -2.800 14.765 476 HA LEU 66 HA LEU 66 72.677 -3.920 16.376 477 HB2 LEU 66 HB2 LEU 66 75.470 -4.821 15.706 478 HB3 LEU 66 HB1 LEU 66 74.402 -5.837 16.650 479 HG LEU 66 HG LEU 66 73.388 -4.753 14.016 480 HD11 LEU 66 HD11 LEU 66 74.266 -6.914 12.982 481 HD12 LEU 66 HD12 LEU 66 75.316 -7.065 14.386 482 HD13 LEU 66 HD13 LEU 66 75.490 -5.690 13.299 483 HD21 LEU 66 HD21 LEU 66 71.999 -6.201 15.707 484 HD22 LEU 66 HD22 LEU 66 73.034 -7.516 15.186 485 HD23 LEU 66 HD23 LEU 66 72.013 -6.688 14.020 486 H ALA 67 HN ALA 67 74.913 -1.792 17.655 487 HA ALA 67 HA ALA 67 75.671 -3.084 20.046 488 HB1 ALA 67 HB1 ALA 67 75.167 -0.128 19.745 489 HB2 ALA 67 HB2 ALA 67 76.599 -0.919 19.084 490 HB3 ALA 67 HB3 ALA 67 76.309 -0.934 20.823 491 H ILE 68 HN ILE 68 72.889 -1.021 19.223 492 HA ILE 68 HA ILE 68 71.816 -0.909 21.794 493 HB ILE 68 HB ILE 68 69.546 -0.613 20.494 494 HG12 ILE 68 HG12 ILE 68 71.306 0.230 18.230 495 HG13 ILE 68 HG11 ILE 68 70.923 -1.476 18.310 496 HG21 ILE 68 HG21 ILE 68 70.519 1.298 21.522 497 HG22 ILE 68 HG22 ILE 68 70.322 1.751 19.829 498 HG23 ILE 68 HG23 ILE 68 71.909 1.275 20.429 499 HD11 ILE 68 HD11 ILE 68 68.559 -1.041 18.180 500 HD12 ILE 68 HD12 ILE 68 69.356 -0.136 16.904 501 HD13 ILE 68 HD13 ILE 68 68.822 0.697 18.362 502 H HIS 69 HN HIS 69 70.226 -2.866 19.258 503 HA HIS 69 HA HIS 69 68.789 -4.473 21.030 504 HB2 HIS 69 HB2 HIS 69 68.701 -4.232 18.401 505 HB3 HIS 69 HB1 HIS 69 69.752 -5.642 18.449 506 HD2 HIS 69 HD2 HIS 69 66.359 -5.622 17.651 507 HE1 HIS 69 HE1 HIS 69 66.228 -8.193 20.994 508 HE2 HIS 69 HE2 HIS 69 64.955 -7.399 18.944 509 H HIS 70 HN HIS 70 69.302 -6.127 22.321 510 HA HIS 70 HA HIS 70 71.988 -6.936 22.744 511 HB2 HIS 70 HB2 HIS 70 69.340 -8.057 23.665 512 HB3 HIS 70 HB1 HIS 70 70.889 -8.734 24.169 513 HD2 HIS 70 HD2 HIS 70 72.270 -7.212 26.088 514 HE1 HIS 70 HE1 HIS 70 69.477 -4.062 26.346 515 HE2 HIS 70 HE2 HIS 70 71.574 -5.055 27.372 516 H GLN 71 HN GLN 71 69.231 -8.552 21.180 517 HA GLN 71 HA GLN 71 70.678 -10.939 20.546 518 HB2 GLN 71 HB2 GLN 71 68.093 -9.808 19.434 519 HB3 GLN 71 HB1 GLN 71 68.721 -11.400 19.039 520 HG2 GLN 71 HG2 GLN 71 68.549 -12.103 21.380 521 HG3 GLN 71 HG1 GLN 71 68.054 -10.482 21.860 522 HE21 GLN 71 HE21 GLN 71 66.770 -13.458 21.372 523 HE22 GLN 71 HE22 GLN 71 65.219 -13.027 20.834 524 H HIS 72 HN HIS 72 71.998 -11.351 18.914 525 HA HIS 72 HA HIS 72 72.878 -9.312 17.147 526 HB2 HIS 72 HB2 HIS 72 73.309 -12.306 17.133 527 HB3 HIS 72 HB1 HIS 72 74.123 -11.188 16.037 528 HD2 HIS 72 HD2 HIS 72 74.627 -12.599 19.542 529 HE1 HIS 72 HE1 HIS 72 76.974 -9.101 19.369 530 HE2 HIS 72 HE2 HIS 72 76.504 -11.206 20.705 531 H HIS 73 HN HIS 73 70.645 -12.022 16.799 532 HA HIS 73 HA HIS 73 69.450 -10.817 14.422 533 HB2 HIS 73 HB2 HIS 73 71.007 -13.383 14.374 534 HB3 HIS 73 HB1 HIS 73 69.619 -13.172 13.308 535 HD2 HIS 73 HD2 HIS 73 73.322 -12.131 13.473 536 HE1 HIS 73 HE1 HIS 73 71.546 -9.778 10.446 537 HE2 HIS 73 HE2 HIS 73 73.748 -10.481 11.494 538 H HIS 74 HN HIS 74 67.366 -11.485 14.044 539 HA HIS 74 HA HIS 74 65.949 -12.537 16.294 540 HB2 HIS 74 HB2 HIS 74 65.017 -12.042 13.453 541 HB3 HIS 74 HB1 HIS 74 63.971 -12.351 14.838 542 HD2 HIS 74 HD2 HIS 74 65.828 -9.394 13.196 543 HE1 HIS 74 HE1 HIS 74 64.403 -8.016 16.919 544 HE2 HIS 74 HE2 HIS 74 65.451 -7.307 14.720 545 H GLY 75 HN GLY 75 65.153 -14.549 16.655 546 HA2 GLY 75 HA2 GLY 75 66.336 -16.761 15.305 547 HA3 GLY 75 HA1 GLY 75 65.067 -16.848 16.524 548 H GLY 76 HN GLY 76 65.103 -18.535 14.300 549 HA2 GLY 76 HA2 GLY 76 63.545 -17.633 12.116 550 HA3 GLY 76 HA1 GLY 76 63.768 -19.313 12.593 551 H SER 77 HN SER 77 62.705 -19.054 15.236 552 HA SER 77 HA SER 77 59.916 -19.386 14.668 553 HB2 SER 77 HB2 SER 77 59.700 -19.864 17.033 554 HB3 SER 77 HB1 SER 77 61.149 -20.659 16.423 555 HG SER 77 HG SER 77 61.860 -19.625 18.186 556 H MET 78 HN MET 78 58.191 -18.226 15.788 557 HA MET 78 HA MET 78 58.361 -15.423 15.409 558 HB2 MET 78 HB2 MET 78 56.330 -17.226 16.737 559 HB3 MET 78 HB1 MET 78 56.129 -15.478 16.716 560 HG2 MET 78 HG2 MET 78 56.680 -16.955 14.147 561 HG3 MET 78 HG1 MET 78 55.050 -16.923 14.804 562 HE1 MET 78 HE1 MET 78 53.770 -13.437 14.407 563 HE2 MET 78 HE2 MET 78 53.879 -14.730 15.593 564 HE3 MET 78 HE3 MET 78 53.392 -15.098 13.937 565 H GLY 79 HN GLY 79 58.562 -17.484 18.274 566 HA2 GLY 79 HA2 GLY 79 60.131 -15.603 19.711 567 HA3 GLY 79 HA1 GLY 79 58.464 -15.552 20.276 568 H MET 80 HN MET 80 60.178 -16.262 22.140 569 HA MET 80 HA MET 80 60.901 -18.996 22.277 570 HB2 MET 80 HB2 MET 80 60.458 -16.868 24.377 571 HB3 MET 80 HB1 MET 80 60.923 -18.510 24.802 572 HG2 MET 80 HG2 MET 80 63.008 -18.319 23.594 573 HG3 MET 80 HG1 MET 80 62.489 -16.815 22.836 574 HE1 MET 80 HE1 MET 80 64.130 -17.479 27.061 575 HE2 MET 80 HE2 MET 80 64.717 -18.226 25.583 576 HE3 MET 80 HE3 MET 80 63.114 -18.630 26.190 577 H SER 81 HN SER 81 58.030 -17.214 23.300 578 HA SER 81 HA SER 81 56.761 -19.454 24.571 579 HB2 SER 81 HB2 SER 81 54.958 -18.011 24.947 580 HB3 SER 81 HB1 SER 81 56.339 -16.918 24.925 581 HG SER 81 HG SER 81 55.819 -16.792 22.560 582 H GLY 82 HN GLY 82 54.633 -20.294 23.823 583 HA2 GLY 82 HA2 GLY 82 54.856 -21.368 21.186 584 HA3 GLY 82 HA1 GLY 82 53.491 -21.575 22.281 585 H SER 83 HN SER 83 53.144 -21.203 19.540 586 HA SER 83 HA SER 83 51.385 -18.915 19.514 587 HB2 SER 83 HB2 SER 83 52.465 -17.874 17.513 588 HB3 SER 83 HB1 SER 83 53.430 -17.738 18.979 589 HG SER 83 HG SER 83 54.642 -18.453 17.148 590 H GLY 84 HN GLY 84 50.129 -18.802 17.511 591 HA2 GLY 84 HA2 GLY 84 48.961 -19.731 15.752 592 HA3 GLY 84 HA1 GLY 84 50.307 -20.842 15.520 593 H THR 85 HN THR 85 48.811 -20.628 18.635 594 HA THR 85 HA THR 85 48.196 -23.394 18.716 595 HB THR 85 HB THR 85 46.910 -22.727 20.815 596 HG1 THR 85 HG1 THR 85 47.859 -20.230 19.912 597 HG21 THR 85 HG21 THR 85 49.070 -21.891 21.963 598 HG22 THR 85 HG22 THR 85 49.824 -22.061 20.380 599 HG23 THR 85 HG23 THR 85 49.122 -23.467 21.179 600 H GLY 86 HN GLY 86 46.323 -20.534 17.910 601 HA2 GLY 86 HA2 GLY 86 43.740 -21.666 18.039 602 HA3 GLY 86 HA1 GLY 86 44.198 -20.272 17.064 603 H TYR 87 HN TYR 87 45.979 -21.288 15.284 604 HA TYR 87 HA TYR 87 44.298 -22.644 13.423 605 HB2 TYR 87 HB2 TYR 87 47.266 -22.068 13.387 606 HB3 TYR 87 HB1 TYR 87 46.386 -22.752 12.039 607 HD1 TYR 87 HD2 TYR 87 46.864 -19.702 14.104 608 HD2 TYR 87 HD1 TYR 87 44.735 -21.394 10.752 609 HE1 TYR 87 HE2 TYR 87 46.164 -17.445 13.398 610 HE2 TYR 87 HE1 TYR 87 44.046 -19.129 10.062 611 HH TYR 87 HH TYR 87 45.415 -16.460 10.848
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