NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569591 | 2m7q | 19201 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 23.797 -4.248 -6.627 2 H2 GLY 1 HT2 GLY 1 22.859 -4.972 -5.436 3 H3 GLY 1 HT3 GLY 1 24.540 -5.196 -5.453 4 HA2 GLY 1 HA1 GLY 1 23.155 -2.637 -5.001 5 HA3 GLY 1 HA2 GLY 1 23.939 -3.612 -3.770 6 HA PRO 2 HA PRO 2 27.167 -1.080 -6.142 7 HB2 PRO 2 HB2 PRO 2 26.642 1.531 -5.929 8 HB3 PRO 2 HB1 PRO 2 25.864 0.551 -7.179 9 HG2 PRO 2 HG2 PRO 2 24.771 1.536 -4.586 10 HG3 PRO 2 HG1 PRO 2 23.972 1.418 -6.162 11 HD2 PRO 2 HD2 PRO 2 23.748 -0.425 -4.082 12 HD3 PRO 2 HD1 PRO 2 23.338 -0.728 -5.784 13 H HIS 3 HN HIS 3 28.197 1.312 -4.978 14 HA HIS 3 HA HIS 3 29.241 0.340 -2.540 15 HB2 HIS 3 HB2 HIS 3 29.391 3.066 -3.825 16 HB3 HIS 3 HB1 HIS 3 30.228 2.667 -2.326 17 HD1 HIS 3 HD1 HIS 3 30.464 2.257 -6.035 18 HD2 HIS 3 HD2 HIS 3 32.314 0.796 -2.606 19 HE1 HIS 3 HE1 HIS 3 32.595 1.171 -6.790 20 H MET 4 HN MET 4 26.605 2.411 -3.302 21 HA MET 4 HA MET 4 25.905 2.661 -0.440 22 HB2 MET 4 HB2 MET 4 26.095 4.792 -1.714 23 HB3 MET 4 HB1 MET 4 24.897 4.186 -2.850 24 HG2 MET 4 HG2 MET 4 23.988 5.764 -1.215 25 HG3 MET 4 HG1 MET 4 23.224 4.175 -1.149 26 HE1 MET 4 HE1 MET 4 23.087 6.462 1.110 27 HE2 MET 4 HE2 MET 4 23.142 5.409 2.537 28 HE3 MET 4 HE3 MET 4 22.219 4.923 1.100 29 H ASP 5 HN ASP 5 25.053 0.593 -0.217 30 HA ASP 5 HA ASP 5 22.694 0.157 -1.889 31 HB2 ASP 5 HB2 ASP 5 24.454 -1.553 -2.060 32 HB3 ASP 5 HB1 ASP 5 24.168 -2.008 -0.380 33 H VAL 6 HN VAL 6 22.661 1.837 0.151 34 HA VAL 6 HA VAL 6 21.073 0.476 2.212 35 HB VAL 6 HB VAL 6 22.301 3.252 2.434 36 HG11 VAL 6 HG11 VAL 6 21.355 1.335 4.565 37 HG12 VAL 6 HG12 VAL 6 20.485 2.755 3.986 38 HG13 VAL 6 HG13 VAL 6 22.008 2.950 4.848 39 HG21 VAL 6 HG21 VAL 6 24.155 1.692 2.109 40 HG22 VAL 6 HG22 VAL 6 23.564 0.697 3.441 41 HG23 VAL 6 HG23 VAL 6 24.151 2.329 3.753 42 H HIS 7 HN HIS 7 20.546 1.171 -0.510 43 HA HIS 7 HA HIS 7 18.910 3.327 -0.182 44 HB2 HIS 7 HB2 HIS 7 19.386 1.654 -2.626 45 HB3 HIS 7 HB1 HIS 7 18.061 2.799 -2.615 46 HD1 HIS 7 HD1 HIS 7 18.714 5.354 -2.655 47 HD2 HIS 7 HD2 HIS 7 21.890 2.707 -2.880 48 HE1 HIS 7 HE1 HIS 7 20.679 6.697 -3.422 49 H LYS 8 HN LYS 8 18.633 0.455 0.867 50 HA LYS 8 HA LYS 8 16.035 -0.286 -0.075 51 HB2 LYS 8 HB2 LYS 8 17.777 -1.558 2.023 52 HB3 LYS 8 HB1 LYS 8 16.181 -2.147 1.578 53 HG2 LYS 8 HG2 LYS 8 17.018 -2.387 -0.766 54 HG3 LYS 8 HG1 LYS 8 18.634 -2.020 -0.157 55 HD2 LYS 8 HD2 LYS 8 18.508 -3.889 1.350 56 HD3 LYS 8 HD1 LYS 8 16.847 -4.189 0.818 57 HE2 LYS 8 HE2 LYS 8 18.367 -5.767 -0.292 58 HE3 LYS 8 HE1 LYS 8 17.657 -4.664 -1.460 59 HZ1 LYS 8 HZ1 LYS 8 20.437 -4.501 -0.358 60 HZ2 LYS 8 HZ2 LYS 8 19.759 -3.370 -1.376 61 HZ3 LYS 8 HZ3 LYS 8 19.990 -4.929 -1.916 62 H LYS 9 HN LYS 9 15.185 1.509 0.411 63 HA LYS 9 HA LYS 9 14.027 1.702 3.100 64 HB2 LYS 9 HB2 LYS 9 13.818 4.161 2.620 65 HB3 LYS 9 HB1 LYS 9 15.442 3.654 3.027 66 HG2 LYS 9 HG2 LYS 9 16.034 3.673 0.643 67 HG3 LYS 9 HG1 LYS 9 14.370 4.077 0.233 68 HD2 LYS 9 HD2 LYS 9 16.172 5.786 1.915 69 HD3 LYS 9 HD1 LYS 9 15.960 5.969 0.169 70 HE2 LYS 9 HE2 LYS 9 13.527 6.322 0.552 71 HE3 LYS 9 HE1 LYS 9 13.818 6.245 2.288 72 HZ1 LYS 9 HZ1 LYS 9 14.981 8.266 0.446 73 HZ2 LYS 9 HZ2 LYS 9 15.192 8.222 2.124 74 HZ3 LYS 9 HZ3 LYS 9 13.680 8.521 1.474 75 H CYS 10 HN CYS 10 11.980 1.877 3.078 76 HA CYS 10 HA CYS 10 10.371 1.470 0.790 77 HB2 CYS 10 HB2 CYS 10 9.698 0.889 3.027 78 HB3 CYS 10 HB1 CYS 10 9.879 2.539 3.545 79 HA PRO 11 HA PRO 11 10.973 5.820 -0.341 80 HB2 PRO 11 HB2 PRO 11 9.555 5.736 -2.689 81 HB3 PRO 11 HB1 PRO 11 11.246 5.259 -2.546 82 HG2 PRO 11 HG2 PRO 11 8.812 3.549 -2.731 83 HG3 PRO 11 HG1 PRO 11 10.457 3.258 -3.316 84 HD2 PRO 11 HD2 PRO 11 9.359 2.133 -1.058 85 HD3 PRO 11 HD1 PRO 11 11.096 2.305 -1.359 86 H LEU 12 HN LEU 12 8.214 4.162 0.460 87 HA LEU 12 HA LEU 12 6.414 6.369 -0.020 88 HB2 LEU 12 HB2 LEU 12 5.779 3.684 1.155 89 HB3 LEU 12 HB1 LEU 12 4.670 4.819 0.401 90 HG LEU 12 HG LEU 12 6.818 3.207 -0.961 91 HD11 LEU 12 HD11 LEU 12 4.963 1.881 -0.532 92 HD12 LEU 12 HD12 LEU 12 4.951 2.281 -2.253 93 HD13 LEU 12 HD13 LEU 12 3.847 3.097 -1.144 94 HD21 LEU 12 HD21 LEU 12 6.803 5.360 -2.000 95 HD22 LEU 12 HD22 LEU 12 5.047 5.335 -2.150 96 HD23 LEU 12 HD23 LEU 12 6.034 4.199 -3.082 97 H CYS 13 HN CYS 13 8.004 4.840 2.756 98 HA CYS 13 HA CYS 13 6.859 7.054 4.379 99 HB2 CYS 13 HB2 CYS 13 6.551 5.668 6.279 100 HB3 CYS 13 HB1 CYS 13 5.820 4.872 4.873 101 H GLU 14 HN GLU 14 9.451 5.760 3.178 102 HA GLU 14 HA GLU 14 11.516 5.291 3.591 103 HB2 GLU 14 HB2 GLU 14 13.021 7.103 4.249 104 HB3 GLU 14 HB1 GLU 14 11.894 7.520 2.982 105 HG2 GLU 14 HG2 GLU 14 10.631 8.874 4.519 106 HG3 GLU 14 HG1 GLU 14 11.646 8.341 5.865 107 H LEU 15 HN LEU 15 10.547 3.735 4.993 108 HA LEU 15 HA LEU 15 12.005 3.721 7.494 109 HB2 LEU 15 HB2 LEU 15 9.796 2.516 7.198 110 HB3 LEU 15 HB1 LEU 15 10.602 1.450 6.062 111 HG LEU 15 HG LEU 15 12.196 0.863 7.947 112 HD11 LEU 15 HD11 LEU 15 10.030 2.130 9.557 113 HD12 LEU 15 HD12 LEU 15 11.694 2.731 9.409 114 HD13 LEU 15 HD13 LEU 15 11.366 1.179 10.202 115 HD21 LEU 15 HD21 LEU 15 10.471 -0.612 7.173 116 HD22 LEU 15 HD22 LEU 15 9.306 0.157 8.272 117 HD23 LEU 15 HD23 LEU 15 10.701 -0.729 8.917 118 H MET 16 HN MET 16 14.071 2.973 7.543 119 HA MET 16 HA MET 16 15.158 2.149 4.998 120 HB2 MET 16 HB2 MET 16 16.010 4.230 5.940 121 HB3 MET 16 HB1 MET 16 16.446 3.388 7.419 122 HG2 MET 16 HG2 MET 16 18.080 2.101 6.275 123 HG3 MET 16 HG1 MET 16 17.471 2.743 4.740 124 HE1 MET 16 HE1 MET 16 19.135 3.760 8.173 125 HE2 MET 16 HE2 MET 16 17.847 4.949 7.964 126 HE3 MET 16 HE3 MET 16 19.532 5.453 7.884 127 H PHE 17 HN PHE 17 16.066 0.231 4.779 128 HA PHE 17 HA PHE 17 16.139 -1.541 7.107 129 HB2 PHE 17 HB2 PHE 17 15.925 -2.177 4.149 130 HB3 PHE 17 HB1 PHE 17 15.866 -3.344 5.456 131 HD1 PHE 17 HD2 PHE 17 13.902 -3.222 7.068 132 HD2 PHE 17 HD1 PHE 17 14.000 -1.127 3.364 133 HE1 PHE 17 HE2 PHE 17 11.451 -3.011 7.121 134 HE2 PHE 17 HE1 PHE 17 11.552 -0.912 3.413 135 HZ PHE 17 HZ PHE 17 10.274 -1.860 5.287 136 HA PRO 18 HA PRO 18 20.544 -2.100 6.258 137 HB2 PRO 18 HB2 PRO 18 20.273 -5.031 6.392 138 HB3 PRO 18 HB1 PRO 18 21.176 -3.956 7.459 139 HG2 PRO 18 HG2 PRO 18 18.927 -5.207 8.240 140 HG3 PRO 18 HG1 PRO 18 19.373 -3.603 8.842 141 HD2 PRO 18 HD2 PRO 18 17.370 -4.364 6.764 142 HD3 PRO 18 HD1 PRO 18 17.280 -3.101 8.008 143 HA PRO 19 HA PRO 19 20.917 -3.151 1.854 144 HB2 PRO 19 HB2 PRO 19 23.558 -4.290 2.521 145 HB3 PRO 19 HB1 PRO 19 23.157 -2.984 1.398 146 HG2 PRO 19 HG2 PRO 19 24.363 -2.429 3.693 147 HG3 PRO 19 HG1 PRO 19 23.059 -1.388 3.086 148 HD2 PRO 19 HD2 PRO 19 22.963 -3.487 5.223 149 HD3 PRO 19 HD1 PRO 19 22.249 -1.858 5.200 150 H ASN 20 HN ASN 20 21.298 -5.516 4.261 151 HA ASN 20 HA ASN 20 21.408 -7.507 2.209 152 HB2 ASN 20 HB2 ASN 20 21.631 -7.907 5.202 153 HB3 ASN 20 HB1 ASN 20 21.843 -9.167 3.995 154 HD21 ASN 20 HD21 ASN 20 23.702 -9.141 2.724 155 HD22 ASN 20 HD22 ASN 20 25.097 -8.226 3.153 156 H TYR 21 HN TYR 21 18.851 -5.891 3.317 157 HA TYR 21 HA TYR 21 17.311 -7.903 4.460 158 HB2 TYR 21 HB2 TYR 21 17.147 -5.740 5.153 159 HB3 TYR 21 HB1 TYR 21 16.813 -5.082 3.543 160 HD1 TYR 21 HD2 TYR 21 15.619 -7.019 6.351 161 HD2 TYR 21 HD1 TYR 21 14.620 -5.087 2.791 162 HE1 TYR 21 HE2 TYR 21 13.219 -7.194 6.996 163 HE2 TYR 21 HE1 TYR 21 12.175 -5.207 3.365 164 HH TYR 21 HH TYR 21 10.650 -6.428 4.803 165 H ASP 22 HN ASP 22 15.733 -8.809 3.698 166 HA ASP 22 HA ASP 22 15.576 -10.019 1.186 167 HB2 ASP 22 HB2 ASP 22 13.485 -9.624 3.287 168 HB3 ASP 22 HB1 ASP 22 13.222 -10.626 1.867 169 H GLN 23 HN GLN 23 15.198 -9.195 -0.556 170 HA GLN 23 HA GLN 23 14.083 -6.758 -1.206 171 HB2 GLN 23 HB2 GLN 23 14.463 -9.278 -2.701 172 HB3 GLN 23 HB1 GLN 23 13.811 -7.843 -3.496 173 HG2 GLN 23 HG2 GLN 23 16.447 -7.901 -2.025 174 HG3 GLN 23 HG1 GLN 23 16.328 -8.343 -3.720 175 HE21 GLN 23 HE21 GLN 23 14.367 -5.681 -2.449 176 HE22 GLN 23 HE22 GLN 23 15.308 -4.453 -3.196 177 H SER 24 HN SER 24 12.533 -9.965 -1.133 178 HA SER 24 HA SER 24 10.133 -8.933 -2.162 179 HB2 SER 24 HB2 SER 24 10.738 -11.576 -0.833 180 HB3 SER 24 HB1 SER 24 9.181 -11.185 -1.570 181 HG SER 24 HG SER 24 10.025 -11.144 -3.478 182 H LYS 25 HN LYS 25 11.406 -9.385 1.044 183 HA LYS 25 HA LYS 25 8.964 -8.907 2.384 184 HB2 LYS 25 HB2 LYS 25 11.792 -8.730 3.233 185 HB3 LYS 25 HB1 LYS 25 10.487 -8.328 4.351 186 HG2 LYS 25 HG2 LYS 25 9.566 -10.619 3.983 187 HG3 LYS 25 HG1 LYS 25 10.989 -10.963 2.989 188 HD2 LYS 25 HD2 LYS 25 12.415 -10.434 4.853 189 HD3 LYS 25 HD1 LYS 25 10.997 -10.133 5.858 190 HE2 LYS 25 HE2 LYS 25 11.948 -12.386 6.278 191 HE3 LYS 25 HE1 LYS 25 10.306 -12.460 5.651 192 HZ1 LYS 25 HZ1 LYS 25 11.826 -14.092 4.631 193 HZ2 LYS 25 HZ2 LYS 25 12.752 -12.857 3.949 194 HZ3 LYS 25 HZ3 LYS 25 11.143 -13.069 3.509 195 H PHE 26 HN PHE 26 11.424 -6.959 0.984 196 HA PHE 26 HA PHE 26 10.684 -4.428 2.046 197 HB2 PHE 26 HB2 PHE 26 12.875 -4.655 1.096 198 HB3 PHE 26 HB1 PHE 26 12.228 -5.318 -0.391 199 HD1 PHE 26 HD2 PHE 26 12.269 -2.207 1.636 200 HD2 PHE 26 HD1 PHE 26 11.886 -3.949 -2.225 201 HE1 PHE 26 HE2 PHE 26 12.275 0.027 0.623 202 HE2 PHE 26 HE1 PHE 26 11.887 -1.714 -3.245 203 HZ PHE 26 HZ PHE 26 12.077 0.282 -1.816 204 H GLU 27 HN GLU 27 10.032 -6.085 -0.974 205 HA GLU 27 HA GLU 27 8.333 -4.213 -2.135 206 HB2 GLU 27 HB2 GLU 27 8.394 -7.196 -2.531 207 HB3 GLU 27 HB1 GLU 27 7.549 -6.056 -3.570 208 HG2 GLU 27 HG2 GLU 27 9.649 -5.002 -4.157 209 HG3 GLU 27 HG1 GLU 27 10.511 -6.090 -3.068 210 H GLU 28 HN GLU 28 7.578 -6.935 0.014 211 HA GLU 28 HA GLU 28 4.711 -6.411 -0.068 212 HB2 GLU 28 HB2 GLU 28 4.478 -7.966 1.725 213 HB3 GLU 28 HB1 GLU 28 5.681 -8.634 0.632 214 HG2 GLU 28 HG2 GLU 28 7.439 -7.923 2.035 215 HG3 GLU 28 HG1 GLU 28 6.317 -7.117 3.111 216 H HIS 29 HN HIS 29 7.250 -5.006 1.648 217 HA HIS 29 HA HIS 29 5.334 -3.912 3.288 218 HB2 HIS 29 HB2 HIS 29 7.477 -4.087 4.330 219 HB3 HIS 29 HB1 HIS 29 8.279 -3.324 2.979 220 HD1 HIS 29 HD1 HIS 29 6.988 -2.600 6.351 221 HD2 HIS 29 HD2 HIS 29 7.846 -0.503 2.919 222 HE1 HIS 29 HE1 HIS 29 7.499 -0.197 7.108 223 H VAL 30 HN VAL 30 7.049 -2.952 0.393 224 HA VAL 30 HA VAL 30 5.872 -0.314 0.071 225 HB VAL 30 HB VAL 30 6.628 -2.273 -2.142 226 HG11 VAL 30 HG11 VAL 30 6.524 0.740 -2.113 227 HG12 VAL 30 HG12 VAL 30 5.321 -0.317 -2.859 228 HG13 VAL 30 HG13 VAL 30 6.969 -0.262 -3.494 229 HG21 VAL 30 HG21 VAL 30 8.393 -0.249 -0.770 230 HG22 VAL 30 HG22 VAL 30 8.832 -1.195 -2.192 231 HG23 VAL 30 HG23 VAL 30 8.535 -2.002 -0.653 232 H GLU 31 HN GLU 31 4.768 -3.512 -0.900 233 HA GLU 31 HA GLU 31 2.369 -2.521 -1.992 234 HB2 GLU 31 HB2 GLU 31 3.018 -5.285 -1.000 235 HB3 GLU 31 HB1 GLU 31 1.543 -4.863 -1.852 236 HG2 GLU 31 HG2 GLU 31 2.953 -4.132 -3.763 237 HG3 GLU 31 HG1 GLU 31 4.347 -4.784 -2.891 238 H SER 32 HN SER 32 3.317 -2.848 1.231 239 HA SER 32 HA SER 32 0.641 -3.148 2.274 240 HB2 SER 32 HB2 SER 32 3.252 -2.444 3.624 241 HB3 SER 32 HB1 SER 32 1.721 -2.602 4.479 242 HG SER 32 HG SER 32 3.123 -4.604 3.033 243 H HIS 33 HN HIS 33 2.890 -0.605 1.480 244 HA HIS 33 HA HIS 33 1.239 1.417 2.563 245 HB2 HIS 33 HB2 HIS 33 3.509 1.429 0.682 246 HB3 HIS 33 HB1 HIS 33 2.616 2.909 1.046 247 HD1 HIS 33 HD1 HIS 33 3.130 3.971 3.351 248 HD2 HIS 33 HD2 HIS 33 4.728 0.203 2.816 249 HE1 HIS 33 HE1 HIS 33 4.557 3.496 5.396 250 H TRP 34 HN TRP 34 1.378 -0.246 -0.549 251 HA TRP 34 HA TRP 34 -0.497 1.348 -1.766 252 HB2 TRP 34 HB2 TRP 34 0.425 -1.513 -1.916 253 HB3 TRP 34 HB1 TRP 34 -0.705 -0.759 -3.093 254 HD1 TRP 34 HD1 TRP 34 2.293 1.301 -2.097 255 HE1 TRP 34 HE1 TRP 34 3.921 1.067 -3.935 256 HE3 TRP 34 HE3 TRP 34 0.137 -2.315 -4.296 257 HZ2 TRP 34 HZ2 TRP 34 4.327 -0.592 -6.266 258 HZ3 TRP 34 HZ3 TRP 34 1.099 -3.401 -6.472 259 HH2 TRP 34 HH2 TRP 34 3.200 -2.492 -7.385 260 H LYS 35 HN LYS 35 -2.356 1.658 -0.780 261 HA LYS 35 HA LYS 35 -3.165 0.057 1.400 262 HB2 LYS 35 HB2 LYS 35 -4.479 2.499 0.195 263 HB3 LYS 35 HB1 LYS 35 -4.853 1.791 1.762 264 HG2 LYS 35 HG2 LYS 35 -2.158 2.935 1.011 265 HG3 LYS 35 HG1 LYS 35 -3.399 3.817 1.897 266 HD2 LYS 35 HD2 LYS 35 -3.194 2.437 3.777 267 HD3 LYS 35 HD1 LYS 35 -2.366 1.164 2.886 268 HE2 LYS 35 HE2 LYS 35 -0.857 2.405 4.401 269 HE3 LYS 35 HE1 LYS 35 -0.391 2.533 2.710 270 HZ1 LYS 35 HZ1 LYS 35 -1.280 4.735 2.629 271 HZ2 LYS 35 HZ2 LYS 35 -0.241 4.640 3.942 272 HZ3 LYS 35 HZ3 LYS 35 -1.885 4.628 4.195 273 H VAL 36 HN VAL 36 -4.127 -1.458 1.363 274 HA VAL 36 HA VAL 36 -5.642 -2.284 -0.964 275 HB VAL 36 HB VAL 36 -3.855 -3.749 -0.219 276 HG11 VAL 36 HG11 VAL 36 -4.013 -5.079 1.832 277 HG12 VAL 36 HG12 VAL 36 -5.398 -4.107 2.330 278 HG13 VAL 36 HG13 VAL 36 -3.816 -3.353 2.138 279 HG21 VAL 36 HG21 VAL 36 -6.582 -4.997 0.128 280 HG22 VAL 36 HG22 VAL 36 -5.093 -5.883 -0.194 281 HG23 VAL 36 HG23 VAL 36 -5.729 -4.759 -1.395 282 H CYS 37 HN CYS 37 -7.682 -2.398 -1.062 283 HA CYS 37 HA CYS 37 -9.399 -1.843 1.179 284 HB2 CYS 37 HB2 CYS 37 -9.759 -0.986 -1.197 285 HB3 CYS 37 HB1 CYS 37 -9.878 -2.638 -1.668 286 HA PRO 38 HA PRO 38 -9.218 -6.309 1.900 287 HB2 PRO 38 HB2 PRO 38 -11.168 -6.442 3.819 288 HB3 PRO 38 HB1 PRO 38 -9.521 -5.903 4.158 289 HG2 PRO 38 HG2 PRO 38 -11.992 -4.282 3.722 290 HG3 PRO 38 HG1 PRO 38 -10.668 -4.021 4.870 291 HD2 PRO 38 HD2 PRO 38 -10.931 -2.667 2.483 292 HD3 PRO 38 HD1 PRO 38 -9.350 -2.958 3.278 293 H MET 39 HN MET 39 -11.936 -4.485 1.070 294 HA MET 39 HA MET 39 -13.585 -6.792 0.459 295 HB2 MET 39 HB2 MET 39 -14.087 -3.868 0.665 296 HB3 MET 39 HB1 MET 39 -15.297 -4.969 0.028 297 HG2 MET 39 HG2 MET 39 -15.495 -6.146 2.060 298 HG3 MET 39 HG1 MET 39 -14.016 -5.446 2.706 299 HE1 MET 39 HE1 MET 39 -15.086 -1.885 3.725 300 HE2 MET 39 HE2 MET 39 -14.208 -2.409 2.292 301 HE3 MET 39 HE3 MET 39 -13.858 -3.141 3.861 302 H CYS 40 HN CYS 40 -11.381 -4.837 -1.162 303 HA CYS 40 HA CYS 40 -12.591 -5.617 -3.747 304 HB2 CYS 40 HB2 CYS 40 -11.128 -3.305 -2.807 305 HB3 CYS 40 HB1 CYS 40 -10.729 -3.800 -4.486 306 H SER 41 HN SER 41 -9.969 -5.943 -1.562 307 HA SER 41 HA SER 41 -7.987 -6.746 -1.522 308 HB2 SER 41 HB2 SER 41 -7.499 -8.850 -2.734 309 HB3 SER 41 HB1 SER 41 -9.055 -8.911 -1.936 310 HG SER 41 HG SER 41 -9.556 -8.022 -4.330 311 H GLU 42 HN GLU 42 -8.417 -4.378 -3.080 312 HA GLU 42 HA GLU 42 -6.395 -4.582 -5.068 313 HB2 GLU 42 HB2 GLU 42 -8.765 -2.815 -4.661 314 HB3 GLU 42 HB1 GLU 42 -7.410 -2.389 -5.678 315 HG2 GLU 42 HG2 GLU 42 -7.808 -4.365 -6.991 316 HG3 GLU 42 HG1 GLU 42 -9.253 -4.728 -6.032 317 H GLN 43 HN GLN 43 -5.040 -3.464 -4.919 318 HA GLN 43 HA GLN 43 -4.290 -1.998 -2.437 319 HB2 GLN 43 HB2 GLN 43 -2.783 -3.114 -4.755 320 HB3 GLN 43 HB1 GLN 43 -1.996 -2.431 -3.295 321 HG2 GLN 43 HG2 GLN 43 -3.124 -4.295 -2.031 322 HG3 GLN 43 HG1 GLN 43 -3.741 -4.876 -3.551 323 HE21 GLN 43 HE21 GLN 43 -0.492 -3.628 -3.209 324 HE22 GLN 43 HE22 GLN 43 0.293 -5.144 -3.476 325 H PHE 44 HN PHE 44 -4.310 0.097 -2.589 326 HA PHE 44 HA PHE 44 -4.386 1.346 -5.205 327 HB2 PHE 44 HB2 PHE 44 -5.281 2.272 -2.483 328 HB3 PHE 44 HB1 PHE 44 -5.184 3.360 -3.862 329 HD1 PHE 44 HD1 PHE 44 -6.823 0.286 -2.602 330 HD2 PHE 44 HD2 PHE 44 -6.863 3.387 -5.508 331 HE1 PHE 44 HE1 PHE 44 -9.023 -0.474 -3.380 332 HE2 PHE 44 HE2 PHE 44 -9.048 2.636 -6.288 333 HZ PHE 44 HZ PHE 44 -10.141 0.699 -5.227 334 HA PRO 45 HA PRO 45 -0.286 2.590 -4.980 335 HB2 PRO 45 HB2 PRO 45 -0.431 5.042 -6.199 336 HB3 PRO 45 HB1 PRO 45 -0.505 3.505 -7.066 337 HG2 PRO 45 HG2 PRO 45 -2.742 5.286 -6.190 338 HG3 PRO 45 HG1 PRO 45 -2.526 4.482 -7.746 339 HD2 PRO 45 HD2 PRO 45 -4.165 3.477 -5.924 340 HD3 PRO 45 HD1 PRO 45 -3.150 2.402 -6.901 341 HA PRO 46 HA PRO 46 0.362 5.354 -1.530 342 HB2 PRO 46 HB2 PRO 46 2.809 6.385 -2.223 343 HB3 PRO 46 HB1 PRO 46 2.607 4.783 -1.511 344 HG2 PRO 46 HG2 PRO 46 2.981 5.545 -4.383 345 HG3 PRO 46 HG1 PRO 46 3.674 4.183 -3.484 346 HD2 PRO 46 HD2 PRO 46 1.595 3.932 -5.168 347 HD3 PRO 46 HD1 PRO 46 1.757 2.914 -3.725 348 H ASP 47 HN ASP 47 0.388 6.246 -4.768 349 HA ASP 47 HA ASP 47 0.461 9.101 -4.568 350 HB2 ASP 47 HB2 ASP 47 -0.554 7.354 -6.820 351 HB3 ASP 47 HB1 ASP 47 -0.115 9.051 -6.928 352 H TYR 48 HN TYR 48 -1.923 6.792 -3.744 353 HA TYR 48 HA TYR 48 -4.171 8.276 -4.616 354 HB2 TYR 48 HB2 TYR 48 -3.665 5.623 -4.404 355 HB3 TYR 48 HB1 TYR 48 -4.259 5.939 -2.790 356 HD1 TYR 48 HD2 TYR 48 -5.099 6.294 -6.345 357 HD2 TYR 48 HD1 TYR 48 -6.573 6.015 -2.381 358 HE1 TYR 48 HE2 TYR 48 -7.344 6.067 -7.234 359 HE2 TYR 48 HE1 TYR 48 -8.867 5.777 -3.239 360 HH TYR 48 HH TYR 48 -9.468 5.237 -6.600 361 H ASP 49 HN ASP 49 -5.551 8.829 -2.979 362 HA ASP 49 HA ASP 49 -4.190 10.118 -0.757 363 HB2 ASP 49 HB2 ASP 49 -5.932 11.213 -2.461 364 HB3 ASP 49 HB1 ASP 49 -7.057 10.421 -1.413 365 H GLN 50 HN GLN 50 -4.583 9.550 1.202 366 HA GLN 50 HA GLN 50 -5.901 7.169 1.920 367 HB2 GLN 50 HB2 GLN 50 -4.841 9.432 3.580 368 HB3 GLN 50 HB1 GLN 50 -5.790 8.158 4.324 369 HG2 GLN 50 HG2 GLN 50 -3.404 7.517 2.640 370 HG3 GLN 50 HG1 GLN 50 -3.238 7.965 4.333 371 HE21 GLN 50 HE21 GLN 50 -6.059 6.086 3.292 372 HE22 GLN 50 HE22 GLN 50 -5.523 4.628 4.029 373 H GLN 51 HN GLN 51 -6.974 10.463 1.837 374 HA GLN 51 HA GLN 51 -9.393 10.185 3.302 375 HB2 GLN 51 HB2 GLN 51 -8.792 12.042 0.993 376 HB3 GLN 51 HB1 GLN 51 -10.078 12.237 2.174 377 HG2 GLN 51 HG2 GLN 51 -8.503 12.693 3.904 378 HG3 GLN 51 HG1 GLN 51 -7.154 12.258 2.854 379 HE21 GLN 51 HE21 GLN 51 -6.620 13.606 1.176 380 HE22 GLN 51 HE22 GLN 51 -7.041 15.271 1.132 381 H VAL 52 HN VAL 52 -8.519 9.936 -0.117 382 HA VAL 52 HA VAL 52 -11.150 9.446 -1.030 383 HB VAL 52 HB VAL 52 -8.429 9.039 -2.313 384 HG11 VAL 52 HG11 VAL 52 -10.072 7.580 -3.402 385 HG12 VAL 52 HG12 VAL 52 -9.525 8.913 -4.415 386 HG13 VAL 52 HG13 VAL 52 -11.129 8.986 -3.664 387 HG21 VAL 52 HG21 VAL 52 -8.929 11.338 -1.816 388 HG22 VAL 52 HG22 VAL 52 -10.507 11.177 -2.589 389 HG23 VAL 52 HG23 VAL 52 -9.040 11.048 -3.556 390 H PHE 53 HN PHE 53 -8.406 7.473 -0.155 391 HA PHE 53 HA PHE 53 -9.487 4.996 -0.895 392 HB2 PHE 53 HB2 PHE 53 -7.101 5.205 -0.472 393 HB3 PHE 53 HB1 PHE 53 -7.412 5.655 1.202 394 HD1 PHE 53 HD1 PHE 53 -8.063 2.889 -1.199 395 HD2 PHE 53 HD2 PHE 53 -7.319 4.029 2.833 396 HE1 PHE 53 HE1 PHE 53 -7.991 0.522 -0.543 397 HE2 PHE 53 HE2 PHE 53 -7.245 1.658 3.492 398 HZ PHE 53 HZ PHE 53 -7.583 -0.091 1.805 399 H GLU 54 HN GLU 54 -9.564 6.786 2.191 400 HA GLU 54 HA GLU 54 -10.914 4.718 3.577 401 HB2 GLU 54 HB2 GLU 54 -10.907 7.677 4.155 402 HB3 GLU 54 HB1 GLU 54 -11.534 6.448 5.243 403 HG2 GLU 54 HG2 GLU 54 -9.273 5.432 5.281 404 HG3 GLU 54 HG1 GLU 54 -8.695 6.801 4.338 405 H ARG 55 HN ARG 55 -12.064 7.386 1.650 406 HA ARG 55 HA ARG 55 -14.786 6.884 2.348 407 HB2 ARG 55 HB2 ARG 55 -13.453 8.627 0.365 408 HB3 ARG 55 HB1 ARG 55 -15.159 8.290 0.112 409 HG2 ARG 55 HG2 ARG 55 -14.845 10.404 1.352 410 HG3 ARG 55 HG1 ARG 55 -15.695 9.208 2.324 411 HD2 ARG 55 HD2 ARG 55 -13.510 8.655 3.411 412 HD3 ARG 55 HD1 ARG 55 -12.790 9.990 2.519 413 HE ARG 55 HE ARG 55 -14.956 11.024 3.844 414 HH11 ARG 55 HH11 ARG 55 -11.901 9.453 4.745 415 HH12 ARG 55 HH12 ARG 55 -11.770 10.215 6.251 416 HH21 ARG 55 HH21 ARG 55 -14.799 12.059 5.972 417 HH22 ARG 55 HH22 ARG 55 -13.470 11.746 6.968 418 H HIS 56 HN HIS 56 -12.678 5.832 -0.215 419 HA HIS 56 HA HIS 56 -14.511 4.375 -1.713 420 HB2 HIS 56 HB2 HIS 56 -12.278 4.681 -2.567 421 HB3 HIS 56 HB1 HIS 56 -11.567 3.948 -1.139 422 HD1 HIS 56 HD1 HIS 56 -13.420 2.987 -4.320 423 HD2 HIS 56 HD2 HIS 56 -11.136 1.284 -1.303 424 HE1 HIS 56 HE1 HIS 56 -13.026 0.567 -5.001 425 H VAL 57 HN VAL 57 -12.684 3.471 1.168 426 HA VAL 57 HA VAL 57 -13.631 0.769 1.201 427 HB VAL 57 HB VAL 57 -12.460 2.399 3.483 428 HG11 VAL 57 HG11 VAL 57 -12.741 -0.596 3.159 429 HG12 VAL 57 HG12 VAL 57 -13.671 0.410 4.268 430 HG13 VAL 57 HG13 VAL 57 -11.928 0.227 4.491 431 HG21 VAL 57 HG21 VAL 57 -10.943 2.236 1.598 432 HG22 VAL 57 HG22 VAL 57 -11.154 0.489 1.558 433 HG23 VAL 57 HG23 VAL 57 -10.363 1.249 2.941 434 H GLN 58 HN GLN 58 -14.629 3.755 2.706 435 HA GLN 58 HA GLN 58 -16.671 2.776 4.288 436 HB2 GLN 58 HB2 GLN 58 -16.094 5.419 3.093 437 HB3 GLN 58 HB1 GLN 58 -17.647 5.179 3.896 438 HG2 GLN 58 HG2 GLN 58 -14.955 4.689 5.163 439 HG3 GLN 58 HG1 GLN 58 -15.890 6.170 5.350 440 HE21 GLN 58 HE21 GLN 58 -15.702 2.795 6.161 441 HE22 GLN 58 HE22 GLN 58 -16.917 2.815 7.393 442 H THR 59 HN THR 59 -16.670 3.447 0.861 443 HA THR 59 HA THR 59 -19.482 3.368 0.670 444 HB THR 59 HB THR 59 -19.227 3.134 -1.798 445 HG1 THR 59 HG1 THR 59 -16.494 2.737 -1.132 446 HG21 THR 59 HG21 THR 59 -18.142 5.299 -2.190 447 HG22 THR 59 HG22 THR 59 -17.472 5.243 -0.558 448 HG23 THR 59 HG23 THR 59 -19.215 5.350 -0.790 449 H HIS 60 HN HIS 60 -17.083 0.972 0.898 450 HA HIS 60 HA HIS 60 -18.664 -1.177 -0.174 451 HB2 HIS 60 HB2 HIS 60 -16.132 -1.189 1.482 452 HB3 HIS 60 HB1 HIS 60 -16.919 -2.650 0.907 453 HD1 HIS 60 HD1 HIS 60 -16.040 -3.492 -1.283 454 HD2 HIS 60 HD2 HIS 60 -15.426 0.578 -0.756 455 HE1 HIS 60 HE1 HIS 60 -14.496 -2.701 -3.193 456 H PHE 61 HN PHE 61 -18.311 0.441 2.818 457 HA PHE 61 HA PHE 61 -19.852 -1.567 4.250 458 HB2 PHE 61 HB2 PHE 61 -18.795 1.145 5.060 459 HB3 PHE 61 HB1 PHE 61 -19.811 0.170 6.105 460 HD1 PHE 61 HD2 PHE 61 -18.951 -2.255 6.520 461 HD2 PHE 61 HD1 PHE 61 -16.515 0.966 5.228 462 HE1 PHE 61 HE2 PHE 61 -16.969 -3.419 7.390 463 HE2 PHE 61 HE1 PHE 61 -14.519 -0.193 6.096 464 HZ PHE 61 HZ PHE 61 -14.753 -2.385 7.178 465 H ASP 62 HN ASP 62 -20.217 1.403 2.558 466 HA ASP 62 HA ASP 62 -22.803 2.155 3.486 467 HB2 ASP 62 HB2 ASP 62 -21.402 3.802 2.411 468 HB3 ASP 62 HB1 ASP 62 -21.271 2.773 0.987 469 H GLN 63 HN GLN 63 -21.625 0.631 0.743 470 HA GLN 63 HA GLN 63 -22.333 -0.926 -0.681 471 HB2 GLN 63 HB2 GLN 63 -24.381 -1.521 1.453 472 HB3 GLN 63 HB1 GLN 63 -24.049 -2.562 0.076 473 HG2 GLN 63 HG2 GLN 63 -21.857 -3.012 0.840 474 HG3 GLN 63 HG1 GLN 63 -21.965 -1.756 2.072 475 HE21 GLN 63 HE21 GLN 63 -23.122 -2.127 3.928 476 HE22 GLN 63 HE22 GLN 63 -23.665 -3.698 4.390 477 H ASN 64 HN ASN 64 -23.762 1.837 -0.464 478 HA ASN 64 HA ASN 64 -25.399 3.040 -1.316 479 HB2 ASN 64 HB2 ASN 64 -24.535 1.925 -3.438 480 HB3 ASN 64 HB1 ASN 64 -25.835 0.755 -3.269 481 HD21 ASN 64 HD21 ASN 64 -26.186 4.199 -2.541 482 HD22 ASN 64 HD22 ASN 64 -27.257 4.530 -3.839 483 H VAL 65 HN VAL 65 -25.845 1.387 0.812 484 HA VAL 65 HA VAL 65 -27.306 0.447 2.167 485 HB VAL 65 HB VAL 65 -29.404 2.105 0.717 486 HG11 VAL 65 HG11 VAL 65 -29.367 1.021 3.536 487 HG12 VAL 65 HG12 VAL 65 -30.374 0.437 2.211 488 HG13 VAL 65 HG13 VAL 65 -30.614 2.063 2.849 489 HG21 VAL 65 HG21 VAL 65 -27.654 2.863 3.061 490 HG22 VAL 65 HG22 VAL 65 -28.967 3.842 2.401 491 HG23 VAL 65 HG23 VAL 65 -27.535 3.511 1.425 492 H LEU 66 HN LEU 66 -26.801 -1.542 1.110 493 HA LEU 66 HA LEU 66 -28.662 -2.644 -0.731 494 HB2 LEU 66 HB2 LEU 66 -26.199 -3.293 -0.441 495 HB3 LEU 66 HB1 LEU 66 -26.664 -4.093 1.036 496 HG LEU 66 HG LEU 66 -27.719 -4.867 -1.687 497 HD11 LEU 66 HD11 LEU 66 -25.308 -5.164 -1.627 498 HD12 LEU 66 HD12 LEU 66 -26.117 -6.731 -1.588 499 HD13 LEU 66 HD13 LEU 66 -25.437 -6.054 -0.110 500 HD21 LEU 66 HD21 LEU 66 -27.710 -6.371 0.941 501 HD22 LEU 66 HD22 LEU 66 -28.311 -6.988 -0.597 502 HD23 LEU 66 HD23 LEU 66 -29.122 -5.631 0.184 503 H ASN 67 HN ASN 67 -30.635 -2.663 0.023 504 HA ASN 67 HA ASN 67 -31.204 -3.290 2.785 505 HB2 ASN 67 HB2 ASN 67 -32.448 -1.509 1.573 506 HB3 ASN 67 HB1 ASN 67 -33.113 -2.740 0.508 507 HD21 ASN 67 HD21 ASN 67 -35.212 -2.323 1.100 508 HD22 ASN 67 HD22 ASN 67 -35.847 -2.745 2.651 509 H PHE 68 HN PHE 68 -31.618 -4.715 -0.384 510 HA PHE 68 HA PHE 68 -31.942 -7.311 0.844 511 HB2 PHE 68 HB2 PHE 68 -34.249 -6.275 0.808 512 HB3 PHE 68 HB1 PHE 68 -34.129 -6.215 -0.942 513 HD1 PHE 68 HD2 PHE 68 -34.080 -8.540 1.941 514 HD2 PHE 68 HD1 PHE 68 -34.814 -8.051 -2.219 515 HE1 PHE 68 HE2 PHE 68 -35.023 -10.805 1.849 516 HE2 PHE 68 HE1 PHE 68 -35.768 -10.322 -2.313 517 HZ PHE 68 HZ PHE 68 -35.871 -11.697 -0.283 518 H ASP 69 HN ASP 69 -32.443 -5.521 -2.168 519 HA ASP 69 HA ASP 69 -31.107 -7.591 -3.666 520 HB2 ASP 69 HB2 ASP 69 -31.977 -6.399 -5.637 521 HB3 ASP 69 HB1 ASP 69 -33.266 -6.794 -4.508 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 29.538 0.569 -8.171 2 H2 GLY 1 HT2 GLY 1 29.059 -0.149 -6.703 3 H3 GLY 1 HT3 GLY 1 28.024 0.904 -7.487 4 HA2 GLY 1 HA1 GLY 1 27.740 -0.609 -9.281 5 HA3 GLY 1 HA2 GLY 1 28.916 -1.699 -8.554 6 HA PRO 2 HA PRO 2 24.473 -2.300 -6.895 7 HB2 PRO 2 HB2 PRO 2 23.575 -4.324 -8.410 8 HB3 PRO 2 HB1 PRO 2 23.480 -2.649 -8.964 9 HG2 PRO 2 HG2 PRO 2 25.506 -4.747 -9.648 10 HG3 PRO 2 HG1 PRO 2 24.648 -3.638 -10.731 11 HD2 PRO 2 HD2 PRO 2 27.179 -3.183 -9.868 12 HD3 PRO 2 HD1 PRO 2 26.038 -1.875 -10.226 13 H HIS 3 HN HIS 3 27.225 -3.503 -6.407 14 HA HIS 3 HA HIS 3 26.896 -6.301 -5.828 15 HB2 HIS 3 HB2 HIS 3 28.966 -4.392 -4.726 16 HB3 HIS 3 HB1 HIS 3 29.072 -6.150 -4.768 17 HD1 HIS 3 HD1 HIS 3 30.357 -3.318 -6.486 18 HD2 HIS 3 HD2 HIS 3 28.914 -7.030 -7.662 19 HE1 HIS 3 HE1 HIS 3 31.246 -3.712 -8.782 20 H MET 4 HN MET 4 26.366 -3.306 -4.245 21 HA MET 4 HA MET 4 24.788 -4.430 -2.274 22 HB2 MET 4 HB2 MET 4 27.010 -4.567 -1.129 23 HB3 MET 4 HB1 MET 4 27.268 -2.862 -1.475 24 HG2 MET 4 HG2 MET 4 26.520 -3.278 0.845 25 HG3 MET 4 HG1 MET 4 25.437 -2.228 -0.062 26 HE1 MET 4 HE1 MET 4 25.751 -6.168 -0.340 27 HE2 MET 4 HE2 MET 4 24.553 -6.674 0.853 28 HE3 MET 4 HE3 MET 4 26.013 -5.833 1.372 29 H ASP 5 HN ASP 5 23.464 -2.766 -1.609 30 HA ASP 5 HA ASP 5 23.709 -0.320 -3.186 31 HB2 ASP 5 HB2 ASP 5 21.356 -0.441 -3.699 32 HB3 ASP 5 HB1 ASP 5 22.092 -1.967 -4.173 33 H VAL 6 HN VAL 6 21.626 0.950 -2.296 34 HA VAL 6 HA VAL 6 21.042 0.687 0.496 35 HB VAL 6 HB VAL 6 23.275 1.892 0.362 36 HG11 VAL 6 HG11 VAL 6 23.005 3.103 -1.632 37 HG12 VAL 6 HG12 VAL 6 23.304 4.247 -0.317 38 HG13 VAL 6 HG13 VAL 6 21.672 4.044 -0.964 39 HG21 VAL 6 HG21 VAL 6 22.683 3.651 1.976 40 HG22 VAL 6 HG22 VAL 6 21.892 2.109 2.327 41 HG23 VAL 6 HG23 VAL 6 20.979 3.420 1.578 42 H HIS 7 HN HIS 7 19.788 0.414 -1.938 43 HA HIS 7 HA HIS 7 18.461 2.923 -2.186 44 HB2 HIS 7 HB2 HIS 7 17.486 2.136 -4.311 45 HB3 HIS 7 HB1 HIS 7 19.253 2.072 -4.245 46 HD1 HIS 7 HD1 HIS 7 19.989 0.033 -5.606 47 HD2 HIS 7 HD2 HIS 7 16.535 -0.697 -3.419 48 HE1 HIS 7 HE1 HIS 7 19.334 -2.347 -6.087 49 H LYS 8 HN LYS 8 18.117 0.764 -0.289 50 HA LYS 8 HA LYS 8 15.433 -0.213 -0.604 51 HB2 LYS 8 HB2 LYS 8 17.289 -0.466 1.780 52 HB3 LYS 8 HB1 LYS 8 15.837 -1.415 1.466 53 HG2 LYS 8 HG2 LYS 8 18.278 -1.456 -0.303 54 HG3 LYS 8 HG1 LYS 8 17.989 -2.600 1.005 55 HD2 LYS 8 HD2 LYS 8 16.075 -3.493 -0.088 56 HD3 LYS 8 HD1 LYS 8 16.045 -2.176 -1.262 57 HE2 LYS 8 HE2 LYS 8 16.935 -4.301 -2.195 58 HE3 LYS 8 HE1 LYS 8 18.073 -2.965 -2.292 59 HZ1 LYS 8 HZ1 LYS 8 18.147 -5.123 -0.233 60 HZ2 LYS 8 HZ2 LYS 8 19.284 -3.860 -0.432 61 HZ3 LYS 8 HZ3 LYS 8 19.107 -5.018 -1.609 62 H LYS 9 HN LYS 9 14.417 1.809 -0.709 63 HA LYS 9 HA LYS 9 13.818 2.990 1.929 64 HB2 LYS 9 HB2 LYS 9 13.782 4.521 -0.685 65 HB3 LYS 9 HB1 LYS 9 13.574 5.159 0.931 66 HG2 LYS 9 HG2 LYS 9 16.074 4.175 -0.379 67 HG3 LYS 9 HG1 LYS 9 15.598 5.852 -0.130 68 HD2 LYS 9 HD2 LYS 9 15.566 5.263 2.329 69 HD3 LYS 9 HD1 LYS 9 16.460 3.807 1.860 70 HE2 LYS 9 HE2 LYS 9 17.262 6.682 1.512 71 HE3 LYS 9 HE1 LYS 9 18.023 5.387 2.436 72 HZ1 LYS 9 HZ1 LYS 9 18.645 4.298 0.320 73 HZ2 LYS 9 HZ2 LYS 9 19.232 5.860 0.394 74 HZ3 LYS 9 HZ3 LYS 9 17.904 5.546 -0.541 75 H CYS 10 HN CYS 10 11.680 3.042 2.210 76 HA CYS 10 HA CYS 10 9.964 1.803 0.262 77 HB2 CYS 10 HB2 CYS 10 9.668 1.757 2.787 78 HB3 CYS 10 HB1 CYS 10 9.231 3.439 2.679 79 HA PRO 11 HA PRO 11 10.005 5.817 -1.769 80 HB2 PRO 11 HB2 PRO 11 8.607 5.147 -4.020 81 HB3 PRO 11 HB1 PRO 11 10.311 4.762 -3.779 82 HG2 PRO 11 HG2 PRO 11 7.925 3.002 -3.554 83 HG3 PRO 11 HG1 PRO 11 9.551 2.601 -4.091 84 HD2 PRO 11 HD2 PRO 11 8.513 2.024 -1.597 85 HD3 PRO 11 HD1 PRO 11 10.239 2.096 -1.971 86 H LEU 12 HN LEU 12 7.431 4.361 -0.424 87 HA LEU 12 HA LEU 12 5.506 6.384 -1.253 88 HB2 LEU 12 HB2 LEU 12 5.226 3.816 0.246 89 HB3 LEU 12 HB1 LEU 12 3.902 4.944 0.064 90 HG LEU 12 HG LEU 12 4.011 4.640 -2.362 91 HD11 LEU 12 HD11 LEU 12 6.284 3.940 -2.692 92 HD12 LEU 12 HD12 LEU 12 5.202 2.694 -3.324 93 HD13 LEU 12 HD13 LEU 12 6.009 2.467 -1.767 94 HD21 LEU 12 HD21 LEU 12 2.440 3.348 -1.048 95 HD22 LEU 12 HD22 LEU 12 3.644 2.080 -0.831 96 HD23 LEU 12 HD23 LEU 12 2.999 2.416 -2.434 97 H CYS 13 HN CYS 13 7.434 5.486 1.447 98 HA CYS 13 HA CYS 13 6.293 7.814 2.915 99 HB2 CYS 13 HB2 CYS 13 6.661 6.715 5.066 100 HB3 CYS 13 HB1 CYS 13 5.500 5.841 4.053 101 H GLU 14 HN GLU 14 8.981 6.368 1.722 102 HA GLU 14 HA GLU 14 11.106 6.870 1.522 103 HB2 GLU 14 HB2 GLU 14 10.394 9.350 3.065 104 HB3 GLU 14 HB1 GLU 14 11.994 9.056 2.383 105 HG2 GLU 14 HG2 GLU 14 9.420 9.188 0.829 106 HG3 GLU 14 HG1 GLU 14 10.613 10.480 0.943 107 H LEU 15 HN LEU 15 9.915 5.522 3.925 108 HA LEU 15 HA LEU 15 11.777 5.633 6.068 109 HB2 LEU 15 HB2 LEU 15 9.561 4.463 6.107 110 HB3 LEU 15 HB1 LEU 15 10.239 3.245 5.048 111 HG LEU 15 HG LEU 15 11.922 2.738 6.838 112 HD11 LEU 15 HD11 LEU 15 11.763 4.847 8.064 113 HD12 LEU 15 HD12 LEU 15 11.430 3.463 9.102 114 HD13 LEU 15 HD13 LEU 15 10.099 4.454 8.500 115 HD21 LEU 15 HD21 LEU 15 9.912 1.390 6.455 116 HD22 LEU 15 HD22 LEU 15 9.036 2.412 7.596 117 HD23 LEU 15 HD23 LEU 15 10.396 1.433 8.152 118 H MET 16 HN MET 16 13.674 4.905 6.313 119 HA MET 16 HA MET 16 15.102 3.937 3.982 120 HB2 MET 16 HB2 MET 16 15.924 4.880 6.696 121 HB3 MET 16 HB1 MET 16 17.088 4.334 5.478 122 HG2 MET 16 HG2 MET 16 16.373 6.215 4.055 123 HG3 MET 16 HG1 MET 16 15.220 6.701 5.295 124 HE1 MET 16 HE1 MET 16 19.814 6.819 5.908 125 HE2 MET 16 HE2 MET 16 19.051 6.234 4.430 126 HE3 MET 16 HE3 MET 16 18.900 5.316 5.928 127 H PHE 17 HN PHE 17 16.045 1.884 3.863 128 HA PHE 17 HA PHE 17 15.728 0.214 6.241 129 HB2 PHE 17 HB2 PHE 17 15.572 -0.545 3.315 130 HB3 PHE 17 HB1 PHE 17 15.504 -1.690 4.644 131 HD1 PHE 17 HD1 PHE 17 13.579 -1.126 6.405 132 HD2 PHE 17 HD2 PHE 17 13.633 0.102 2.337 133 HE1 PHE 17 HE1 PHE 17 11.139 -0.904 6.443 134 HE2 PHE 17 HE2 PHE 17 11.194 0.332 2.365 135 HZ PHE 17 HZ PHE 17 9.934 -0.173 4.423 136 HA PRO 18 HA PRO 18 20.125 -0.409 5.863 137 HB2 PRO 18 HB2 PRO 18 20.310 -3.150 6.234 138 HB3 PRO 18 HB1 PRO 18 20.172 -1.984 7.555 139 HG2 PRO 18 HG2 PRO 18 18.082 -3.675 6.266 140 HG3 PRO 18 HG1 PRO 18 18.298 -3.273 7.979 141 HD2 PRO 18 HD2 PRO 18 16.440 -2.061 6.476 142 HD3 PRO 18 HD1 PRO 18 17.329 -1.195 7.745 143 HA PRO 19 HA PRO 19 21.122 -1.300 1.543 144 HB2 PRO 19 HB2 PRO 19 23.303 -2.775 2.949 145 HB3 PRO 19 HB1 PRO 19 23.400 -1.728 1.528 146 HG2 PRO 19 HG2 PRO 19 24.103 -0.789 3.880 147 HG3 PRO 19 HG1 PRO 19 23.141 0.212 2.777 148 HD2 PRO 19 HD2 PRO 19 22.323 -1.150 5.281 149 HD3 PRO 19 HD1 PRO 19 21.672 0.318 4.523 150 H ASN 20 HN ASN 20 21.410 -4.020 3.794 151 HA ASN 20 HA ASN 20 20.982 -5.654 1.463 152 HB2 ASN 20 HB2 ASN 20 22.983 -5.979 3.075 153 HB3 ASN 20 HB1 ASN 20 21.817 -6.747 4.143 154 HD21 ASN 20 HD21 ASN 20 24.188 -7.874 2.817 155 HD22 ASN 20 HD22 ASN 20 23.599 -9.178 1.859 156 H TYR 21 HN TYR 21 18.775 -4.188 3.068 157 HA TYR 21 HA TYR 21 17.223 -5.983 4.414 158 HB2 TYR 21 HB2 TYR 21 17.057 -3.616 4.378 159 HB3 TYR 21 HB1 TYR 21 16.392 -3.612 2.731 160 HD1 TYR 21 HD2 TYR 21 15.988 -4.269 6.190 161 HD2 TYR 21 HD1 TYR 21 14.066 -4.313 2.480 162 HE1 TYR 21 HE2 TYR 21 13.789 -4.458 7.375 163 HE2 TYR 21 HE1 TYR 21 11.846 -4.495 3.584 164 HH TYR 21 HH TYR 21 11.477 -3.908 6.875 165 H ASP 22 HN ASP 22 15.603 -7.006 3.785 166 HA ASP 22 HA ASP 22 15.870 -8.653 1.450 167 HB2 ASP 22 HB2 ASP 22 14.833 -9.316 3.810 168 HB3 ASP 22 HB1 ASP 22 13.493 -8.501 3.112 169 H GLN 23 HN GLN 23 15.022 -8.507 -0.268 170 HA GLN 23 HA GLN 23 13.614 -6.317 -1.240 171 HB2 GLN 23 HB2 GLN 23 14.264 -8.984 -2.298 172 HB3 GLN 23 HB1 GLN 23 13.210 -7.926 -3.230 173 HG2 GLN 23 HG2 GLN 23 15.975 -7.169 -2.253 174 HG3 GLN 23 HG1 GLN 23 15.691 -7.918 -3.816 175 HE21 GLN 23 HE21 GLN 23 13.357 -5.540 -2.638 176 HE22 GLN 23 HE22 GLN 23 13.875 -4.286 -3.677 177 H SER 24 HN SER 24 12.480 -9.482 -0.233 178 HA SER 24 HA SER 24 9.857 -9.000 -1.229 179 HB2 SER 24 HB2 SER 24 10.897 -11.162 0.607 180 HB3 SER 24 HB1 SER 24 9.325 -11.175 -0.190 181 HG SER 24 HG SER 24 10.223 -11.648 -2.031 182 H LYS 25 HN LYS 25 11.536 -8.739 1.809 183 HA LYS 25 HA LYS 25 9.248 -8.178 3.442 184 HB2 LYS 25 HB2 LYS 25 12.131 -7.451 3.869 185 HB3 LYS 25 HB1 LYS 25 10.978 -7.423 5.159 186 HG2 LYS 25 HG2 LYS 25 12.032 -9.810 3.680 187 HG3 LYS 25 HG1 LYS 25 12.239 -9.397 5.378 188 HD2 LYS 25 HD2 LYS 25 9.991 -9.953 5.862 189 HD3 LYS 25 HD1 LYS 25 9.563 -10.012 4.150 190 HE2 LYS 25 HE2 LYS 25 11.527 -11.853 5.492 191 HE3 LYS 25 HE1 LYS 25 9.844 -12.250 5.128 192 HZ1 LYS 25 HZ1 LYS 25 11.852 -11.504 3.037 193 HZ2 LYS 25 HZ2 LYS 25 10.291 -12.094 2.804 194 HZ3 LYS 25 HZ3 LYS 25 11.460 -13.077 3.480 195 H PHE 26 HN PHE 26 11.294 -6.342 1.445 196 HA PHE 26 HA PHE 26 10.613 -3.701 2.128 197 HB2 PHE 26 HB2 PHE 26 12.480 -4.345 0.654 198 HB3 PHE 26 HB1 PHE 26 11.355 -4.999 -0.510 199 HD1 PHE 26 HD1 PHE 26 12.738 -1.957 0.961 200 HD2 PHE 26 HD2 PHE 26 10.252 -3.581 -2.079 201 HE1 PHE 26 HE1 PHE 26 12.791 0.186 -0.228 202 HE2 PHE 26 HE2 PHE 26 10.291 -1.436 -3.266 203 HZ PHE 26 HZ PHE 26 11.568 0.447 -2.349 204 H GLU 27 HN GLU 27 9.293 -5.985 -0.205 205 HA GLU 27 HA GLU 27 7.074 -4.477 -1.042 206 HB2 GLU 27 HB2 GLU 27 7.453 -7.459 -0.965 207 HB3 GLU 27 HB1 GLU 27 6.223 -6.612 -1.893 208 HG2 GLU 27 HG2 GLU 27 7.924 -5.591 -3.259 209 HG3 GLU 27 HG1 GLU 27 9.190 -6.329 -2.272 210 H GLU 28 HN GLU 28 7.622 -6.652 1.636 211 HA GLU 28 HA GLU 28 4.916 -6.870 2.622 212 HB2 GLU 28 HB2 GLU 28 7.520 -6.936 4.153 213 HB3 GLU 28 HB1 GLU 28 5.951 -7.359 4.810 214 HG2 GLU 28 HG2 GLU 28 7.280 -8.807 2.537 215 HG3 GLU 28 HG1 GLU 28 7.381 -9.291 4.230 216 H HIS 29 HN HIS 29 7.175 -4.377 2.750 217 HA HIS 29 HA HIS 29 5.378 -3.161 4.517 218 HB2 HIS 29 HB2 HIS 29 7.769 -2.590 4.874 219 HB3 HIS 29 HB1 HIS 29 7.866 -1.940 3.252 220 HD1 HIS 29 HD1 HIS 29 8.426 -0.312 6.028 221 HD2 HIS 29 HD2 HIS 29 5.081 -0.084 3.624 222 HE1 HIS 29 HE1 HIS 29 7.482 2.057 6.275 223 H VAL 30 HN VAL 30 6.469 -2.775 1.165 224 HA VAL 30 HA VAL 30 4.930 -0.440 0.566 225 HB VAL 30 HB VAL 30 5.858 -2.498 -1.477 226 HG11 VAL 30 HG11 VAL 30 4.269 -0.827 -2.358 227 HG12 VAL 30 HG12 VAL 30 5.901 -0.596 -3.014 228 HG13 VAL 30 HG13 VAL 30 5.316 0.457 -1.740 229 HG21 VAL 30 HG21 VAL 30 7.341 -0.108 -0.388 230 HG22 VAL 30 HG22 VAL 30 7.881 -1.130 -1.719 231 HG23 VAL 30 HG23 VAL 30 7.743 -1.797 -0.090 232 H GLU 31 HN GLU 31 4.086 -3.844 0.125 233 HA GLU 31 HA GLU 31 1.596 -3.326 -1.119 234 HB2 GLU 31 HB2 GLU 31 2.432 -5.677 0.581 235 HB3 GLU 31 HB1 GLU 31 1.013 -5.634 -0.454 236 HG2 GLU 31 HG2 GLU 31 3.878 -5.450 -1.361 237 HG3 GLU 31 HG1 GLU 31 2.867 -6.889 -1.436 238 H SER 32 HN SER 32 2.666 -3.165 2.177 239 HA SER 32 HA SER 32 0.004 -3.375 3.261 240 HB2 SER 32 HB2 SER 32 2.602 -2.640 4.620 241 HB3 SER 32 HB1 SER 32 1.072 -2.968 5.442 242 HG SER 32 HG SER 32 2.911 -4.682 4.409 243 H HIS 33 HN HIS 33 1.791 -0.905 1.835 244 HA HIS 33 HA HIS 33 0.550 1.313 3.221 245 HB2 HIS 33 HB2 HIS 33 2.259 0.990 0.835 246 HB3 HIS 33 HB1 HIS 33 1.208 2.387 0.897 247 HD1 HIS 33 HD1 HIS 33 1.661 3.146 3.937 248 HD2 HIS 33 HD2 HIS 33 4.540 2.167 1.151 249 HE1 HIS 33 HE1 HIS 33 3.713 4.459 4.577 250 H TRP 34 HN TRP 34 -0.133 -0.619 0.222 251 HA TRP 34 HA TRP 34 -2.036 0.942 -0.785 252 HB2 TRP 34 HB2 TRP 34 -1.160 -1.921 -0.768 253 HB3 TRP 34 HB1 TRP 34 -2.460 -1.265 -1.823 254 HD1 TRP 34 HD1 TRP 34 0.949 0.408 -1.148 255 HE1 TRP 34 HE1 TRP 34 2.132 0.356 -3.333 256 HE3 TRP 34 HE3 TRP 34 -2.234 -2.212 -3.443 257 HZ2 TRP 34 HZ2 TRP 34 1.734 -0.754 -5.968 258 HZ3 TRP 34 HZ3 TRP 34 -1.961 -2.903 -5.968 259 HH2 TRP 34 HH2 TRP 34 0.055 -2.134 -7.147 260 H LYS 35 HN LYS 35 -3.906 1.273 -0.123 261 HA LYS 35 HA LYS 35 -4.926 0.230 2.366 262 HB2 LYS 35 HB2 LYS 35 -6.625 1.903 0.537 263 HB3 LYS 35 HB1 LYS 35 -6.609 1.858 2.282 264 HG2 LYS 35 HG2 LYS 35 -4.543 3.166 0.517 265 HG3 LYS 35 HG1 LYS 35 -5.770 3.977 1.482 266 HD2 LYS 35 HD2 LYS 35 -4.717 3.185 3.521 267 HD3 LYS 35 HD1 LYS 35 -3.534 2.270 2.575 268 HE2 LYS 35 HE2 LYS 35 -2.803 4.416 1.535 269 HE3 LYS 35 HE1 LYS 35 -3.869 5.265 2.652 270 HZ1 LYS 35 HZ1 LYS 35 -1.599 3.523 3.445 271 HZ2 LYS 35 HZ2 LYS 35 -2.575 4.390 4.497 272 HZ3 LYS 35 HZ3 LYS 35 -1.566 5.198 3.425 273 H VAL 36 HN VAL 36 -5.359 -1.578 2.431 274 HA VAL 36 HA VAL 36 -6.920 -2.860 0.366 275 HB VAL 36 HB VAL 36 -4.825 -3.825 1.038 276 HG11 VAL 36 HG11 VAL 36 -4.503 -4.933 3.210 277 HG12 VAL 36 HG12 VAL 36 -5.995 -4.182 3.773 278 HG13 VAL 36 HG13 VAL 36 -4.623 -3.174 3.305 279 HG21 VAL 36 HG21 VAL 36 -6.532 -5.338 0.183 280 HG22 VAL 36 HG22 VAL 36 -7.177 -5.554 1.809 281 HG23 VAL 36 HG23 VAL 36 -5.570 -6.160 1.409 282 H CYS 37 HN CYS 37 -9.107 -3.017 0.554 283 HA CYS 37 HA CYS 37 -10.602 -2.597 2.829 284 HB2 CYS 37 HB2 CYS 37 -11.056 -4.523 0.635 285 HB3 CYS 37 HB1 CYS 37 -12.274 -3.831 1.681 286 HA PRO 38 HA PRO 38 -9.715 -6.587 4.837 287 HB2 PRO 38 HB2 PRO 38 -12.142 -6.138 6.421 288 HB3 PRO 38 HB1 PRO 38 -10.471 -6.211 6.972 289 HG2 PRO 38 HG2 PRO 38 -11.943 -3.912 6.922 290 HG3 PRO 38 HG1 PRO 38 -10.180 -3.949 6.798 291 HD2 PRO 38 HD2 PRO 38 -12.215 -3.540 4.636 292 HD3 PRO 38 HD1 PRO 38 -10.578 -2.869 4.826 293 H MET 39 HN MET 39 -12.752 -5.513 3.598 294 HA MET 39 HA MET 39 -13.853 -8.194 3.424 295 HB2 MET 39 HB2 MET 39 -14.966 -5.537 2.708 296 HB3 MET 39 HB1 MET 39 -15.816 -7.021 2.373 297 HG2 MET 39 HG2 MET 39 -16.742 -6.145 4.404 298 HG3 MET 39 HG1 MET 39 -15.776 -7.549 4.825 299 HE1 MET 39 HE1 MET 39 -14.769 -3.768 4.076 300 HE2 MET 39 HE2 MET 39 -14.604 -3.159 5.720 301 HE3 MET 39 HE3 MET 39 -16.187 -3.641 5.120 302 H CYS 40 HN CYS 40 -12.409 -5.859 1.222 303 HA CYS 40 HA CYS 40 -13.411 -7.455 -1.055 304 HB2 CYS 40 HB2 CYS 40 -12.073 -4.826 -0.875 305 HB3 CYS 40 HB1 CYS 40 -12.241 -5.684 -2.421 306 H SER 41 HN SER 41 -10.527 -6.691 0.760 307 HA SER 41 HA SER 41 -8.394 -7.126 0.566 308 HB2 SER 41 HB2 SER 41 -9.307 -9.357 -1.300 309 HB3 SER 41 HB1 SER 41 -7.705 -9.201 -0.558 310 HG SER 41 HG SER 41 -8.508 -9.592 1.388 311 H GLU 42 HN GLU 42 -9.615 -5.207 -0.985 312 HA GLU 42 HA GLU 42 -8.261 -5.027 -3.534 313 HB2 GLU 42 HB2 GLU 42 -10.826 -4.772 -3.242 314 HB3 GLU 42 HB1 GLU 42 -10.357 -3.419 -2.240 315 HG2 GLU 42 HG2 GLU 42 -9.580 -2.161 -4.025 316 HG3 GLU 42 HG1 GLU 42 -9.614 -3.551 -5.121 317 H GLN 43 HN GLN 43 -6.833 -4.006 -3.483 318 HA GLN 43 HA GLN 43 -5.877 -2.286 -1.261 319 HB2 GLN 43 HB2 GLN 43 -4.615 -3.555 -3.610 320 HB3 GLN 43 HB1 GLN 43 -3.707 -2.716 -2.309 321 HG2 GLN 43 HG2 GLN 43 -4.716 -4.550 -0.824 322 HG3 GLN 43 HG1 GLN 43 -5.207 -5.318 -2.303 323 HE21 GLN 43 HE21 GLN 43 -3.899 -7.110 -1.980 324 HE22 GLN 43 HE22 GLN 43 -2.185 -7.036 -2.159 325 H PHE 44 HN PHE 44 -5.994 -0.265 -1.574 326 HA PHE 44 HA PHE 44 -6.148 0.913 -4.246 327 HB2 PHE 44 HB2 PHE 44 -6.686 1.997 -1.488 328 HB3 PHE 44 HB1 PHE 44 -6.733 2.990 -2.929 329 HD1 PHE 44 HD2 PHE 44 -8.280 -0.057 -1.402 330 HD2 PHE 44 HD1 PHE 44 -8.758 3.186 -4.112 331 HE1 PHE 44 HE2 PHE 44 -10.636 -0.675 -1.716 332 HE2 PHE 44 HE1 PHE 44 -11.115 2.576 -4.424 333 HZ PHE 44 HZ PHE 44 -12.058 0.647 -3.217 334 HA PRO 45 HA PRO 45 -1.899 2.127 -3.984 335 HB2 PRO 45 HB2 PRO 45 -1.958 4.446 -5.441 336 HB3 PRO 45 HB1 PRO 45 -1.998 2.833 -6.164 337 HG2 PRO 45 HG2 PRO 45 -4.249 4.724 -5.587 338 HG3 PRO 45 HG1 PRO 45 -3.976 3.732 -7.031 339 HD2 PRO 45 HD2 PRO 45 -5.728 3.016 -5.122 340 HD3 PRO 45 HD1 PRO 45 -4.776 1.811 -6.004 341 HA PRO 46 HA PRO 46 -1.264 5.081 -0.712 342 HB2 PRO 46 HB2 PRO 46 0.945 6.471 -1.551 343 HB3 PRO 46 HB1 PRO 46 1.013 4.835 -0.879 344 HG2 PRO 46 HG2 PRO 46 0.931 5.692 -3.753 345 HG3 PRO 46 HG1 PRO 46 2.018 4.517 -2.985 346 HD2 PRO 46 HD2 PRO 46 -0.075 3.656 -4.357 347 HD3 PRO 46 HD1 PRO 46 0.310 2.895 -2.803 348 H ASP 47 HN ASP 47 -1.653 6.191 -3.944 349 HA ASP 47 HA ASP 47 -1.874 8.997 -3.436 350 HB2 ASP 47 HB2 ASP 47 -2.942 7.359 -5.748 351 HB3 ASP 47 HB1 ASP 47 -2.928 9.113 -5.682 352 H TYR 48 HN TYR 48 -3.870 6.353 -2.767 353 HA TYR 48 HA TYR 48 -6.284 7.841 -2.805 354 HB2 TYR 48 HB2 TYR 48 -5.570 5.065 -2.859 355 HB3 TYR 48 HB1 TYR 48 -6.571 5.381 -1.445 356 HD1 TYR 48 HD2 TYR 48 -8.839 6.278 -1.718 357 HD2 TYR 48 HD1 TYR 48 -6.468 5.168 -5.062 358 HE1 TYR 48 HE2 TYR 48 -10.850 6.275 -3.129 359 HE2 TYR 48 HE1 TYR 48 -8.468 5.151 -6.489 360 HH TYR 48 HH TYR 48 -11.335 6.560 -5.606 361 H ASP 49 HN ASP 49 -6.816 8.857 -1.232 362 HA ASP 49 HA ASP 49 -5.322 9.137 1.184 363 HB2 ASP 49 HB2 ASP 49 -6.954 10.871 -0.072 364 HB3 ASP 49 HB1 ASP 49 -8.127 9.998 0.851 365 H GLN 50 HN GLN 50 -5.664 8.295 2.926 366 HA GLN 50 HA GLN 50 -7.081 5.869 3.104 367 HB2 GLN 50 HB2 GLN 50 -5.138 6.637 4.580 368 HB3 GLN 50 HB1 GLN 50 -6.375 7.455 5.540 369 HG2 GLN 50 HG2 GLN 50 -7.574 5.208 5.496 370 HG3 GLN 50 HG1 GLN 50 -6.003 4.565 5.010 371 HE21 GLN 50 HE21 GLN 50 -7.891 5.890 7.544 372 HE22 GLN 50 HE22 GLN 50 -6.775 5.676 8.819 373 H GLN 51 HN GLN 51 -7.946 9.178 3.904 374 HA GLN 51 HA GLN 51 -10.288 8.396 5.339 375 HB2 GLN 51 HB2 GLN 51 -9.421 11.087 4.294 376 HB3 GLN 51 HB1 GLN 51 -10.821 10.813 5.329 377 HG2 GLN 51 HG2 GLN 51 -7.961 10.184 6.040 378 HG3 GLN 51 HG1 GLN 51 -8.882 11.575 6.611 379 HE21 GLN 51 HE21 GLN 51 -11.336 10.168 7.044 380 HE22 GLN 51 HE22 GLN 51 -11.116 9.127 8.397 381 H VAL 52 HN VAL 52 -9.457 8.945 2.081 382 HA VAL 52 HA VAL 52 -12.151 9.177 1.120 383 HB VAL 52 HB VAL 52 -9.475 8.629 -0.240 384 HG11 VAL 52 HG11 VAL 52 -10.534 8.876 -2.351 385 HG12 VAL 52 HG12 VAL 52 -12.134 9.020 -1.605 386 HG13 VAL 52 HG13 VAL 52 -11.235 7.490 -1.510 387 HG21 VAL 52 HG21 VAL 52 -11.339 10.973 -0.411 388 HG22 VAL 52 HG22 VAL 52 -9.754 10.828 -1.177 389 HG23 VAL 52 HG23 VAL 52 -9.888 10.910 0.584 390 H PHE 53 HN PHE 53 -9.719 6.700 1.507 391 HA PHE 53 HA PHE 53 -11.197 4.505 0.562 392 HB2 PHE 53 HB2 PHE 53 -8.856 4.243 0.728 393 HB3 PHE 53 HB1 PHE 53 -8.815 4.787 2.394 394 HD1 PHE 53 HD1 PHE 53 -10.054 2.021 0.233 395 HD2 PHE 53 HD2 PHE 53 -8.761 3.222 4.105 396 HE1 PHE 53 HE1 PHE 53 -10.090 -0.324 0.974 397 HE2 PHE 53 HE2 PHE 53 -8.793 0.884 4.851 398 HZ PHE 53 HZ PHE 53 -9.455 -0.891 3.285 399 H GLU 54 HN GLU 54 -11.018 6.071 3.697 400 HA GLU 54 HA GLU 54 -12.444 4.263 5.248 401 HB2 GLU 54 HB2 GLU 54 -12.266 7.271 5.412 402 HB3 GLU 54 HB1 GLU 54 -13.174 6.323 6.578 403 HG2 GLU 54 HG2 GLU 54 -10.229 6.049 6.007 404 HG3 GLU 54 HG1 GLU 54 -10.896 6.858 7.415 405 H ARG 55 HN ARG 55 -13.535 6.529 2.878 406 HA ARG 55 HA ARG 55 -16.299 6.243 3.532 407 HB2 ARG 55 HB2 ARG 55 -14.801 7.535 1.330 408 HB3 ARG 55 HB1 ARG 55 -16.477 7.108 0.993 409 HG2 ARG 55 HG2 ARG 55 -16.331 9.408 1.734 410 HG3 ARG 55 HG1 ARG 55 -17.170 8.436 2.942 411 HD2 ARG 55 HD2 ARG 55 -15.045 8.302 4.216 412 HD3 ARG 55 HD1 ARG 55 -14.312 9.377 3.030 413 HE ARG 55 HE ARG 55 -16.717 10.344 4.286 414 HH11 ARG 55 HH11 ARG 55 -13.182 10.397 4.243 415 HH12 ARG 55 HH12 ARG 55 -13.033 11.751 5.273 416 HH21 ARG 55 HH21 ARG 55 -16.530 12.228 5.687 417 HH22 ARG 55 HH22 ARG 55 -15.000 12.831 6.095 418 H HIS 56 HN HIS 56 -14.084 4.613 1.363 419 HA HIS 56 HA HIS 56 -16.092 3.049 0.125 420 HB2 HIS 56 HB2 HIS 56 -13.858 3.222 -0.951 421 HB3 HIS 56 HB1 HIS 56 -13.117 2.413 0.428 422 HD1 HIS 56 HD1 HIS 56 -14.662 1.652 -2.864 423 HD2 HIS 56 HD2 HIS 56 -13.981 -0.277 0.700 424 HE1 HIS 56 HE1 HIS 56 -15.115 -0.831 -3.280 425 H VAL 57 HN VAL 57 -14.237 2.700 3.066 426 HA VAL 57 HA VAL 57 -14.879 0.011 3.668 427 HB VAL 57 HB VAL 57 -14.355 2.287 5.614 428 HG11 VAL 57 HG11 VAL 57 -14.116 -0.704 5.985 429 HG12 VAL 57 HG12 VAL 57 -15.374 0.319 6.678 430 HG13 VAL 57 HG13 VAL 57 -13.694 0.520 7.184 431 HG21 VAL 57 HG21 VAL 57 -12.522 2.035 4.042 432 HG22 VAL 57 HG22 VAL 57 -12.460 0.308 4.362 433 HG23 VAL 57 HG23 VAL 57 -12.032 1.455 5.636 434 H GLN 58 HN GLN 58 -16.418 3.056 4.167 435 HA GLN 58 HA GLN 58 -18.596 2.039 5.638 436 HB2 GLN 58 HB2 GLN 58 -17.993 4.614 4.319 437 HB3 GLN 58 HB1 GLN 58 -19.601 4.345 5.019 438 HG2 GLN 58 HG2 GLN 58 -16.951 4.204 6.450 439 HG3 GLN 58 HG1 GLN 58 -18.119 5.520 6.567 440 HE21 GLN 58 HE21 GLN 58 -17.455 2.191 7.439 441 HE22 GLN 58 HE22 GLN 58 -18.687 2.094 8.642 442 H THR 59 HN THR 59 -18.066 2.630 2.199 443 HA THR 59 HA THR 59 -20.745 2.260 1.509 444 HB THR 59 HB THR 59 -19.962 1.853 -0.847 445 HG1 THR 59 HG1 THR 59 -17.581 1.356 0.343 446 HG21 THR 59 HG21 THR 59 -19.087 4.131 -1.154 447 HG22 THR 59 HG22 THR 59 -18.811 4.215 0.595 448 HG23 THR 59 HG23 THR 59 -20.452 4.072 -0.029 449 H HIS 60 HN HIS 60 -18.217 0.002 2.172 450 HA HIS 60 HA HIS 60 -19.378 -2.341 1.141 451 HB2 HIS 60 HB2 HIS 60 -17.699 -1.847 3.577 452 HB3 HIS 60 HB1 HIS 60 -18.329 -3.430 3.208 453 HD1 HIS 60 HD1 HIS 60 -17.278 -4.609 1.106 454 HD2 HIS 60 HD2 HIS 60 -15.409 -1.153 2.355 455 HE1 HIS 60 HE1 HIS 60 -14.833 -4.872 0.489 456 H PHE 61 HN PHE 61 -19.799 -0.513 4.128 457 HA PHE 61 HA PHE 61 -21.601 -2.489 5.217 458 HB2 PHE 61 HB2 PHE 61 -20.401 0.022 6.328 459 HB3 PHE 61 HB1 PHE 61 -21.663 -0.839 7.186 460 HD1 PHE 61 HD1 PHE 61 -21.261 -3.174 7.919 461 HD2 PHE 61 HD2 PHE 61 -18.173 -0.760 6.301 462 HE1 PHE 61 HE1 PHE 61 -19.586 -4.698 8.874 463 HE2 PHE 61 HE2 PHE 61 -16.482 -2.266 7.255 464 HZ PHE 61 HZ PHE 61 -17.187 -4.244 8.545 465 H ASP 62 HN ASP 62 -21.687 0.504 3.625 466 HA ASP 62 HA ASP 62 -24.392 1.187 4.180 467 HB2 ASP 62 HB2 ASP 62 -22.874 2.838 3.181 468 HB3 ASP 62 HB1 ASP 62 -22.621 1.766 1.813 469 H GLN 63 HN GLN 63 -22.870 -0.126 1.495 470 HA GLN 63 HA GLN 63 -23.240 -1.713 0.033 471 HB2 GLN 63 HB2 GLN 63 -23.657 -3.075 2.075 472 HB3 GLN 63 HB1 GLN 63 -25.375 -2.787 1.893 473 HG2 GLN 63 HG2 GLN 63 -25.327 -3.949 -0.268 474 HG3 GLN 63 HG1 GLN 63 -23.609 -4.261 -0.049 475 HE21 GLN 63 HE21 GLN 63 -24.002 -4.748 2.862 476 HE22 GLN 63 HE22 GLN 63 -24.692 -6.307 2.968 477 H ASN 64 HN ASN 64 -25.364 0.687 0.500 478 HA ASN 64 HA ASN 64 -27.564 -0.252 -1.160 479 HB2 ASN 64 HB2 ASN 64 -27.040 2.515 -0.017 480 HB3 ASN 64 HB1 ASN 64 -28.499 2.009 -0.848 481 HD21 ASN 64 HD21 ASN 64 -26.758 2.027 2.102 482 HD22 ASN 64 HD22 ASN 64 -27.975 1.270 3.072 483 H VAL 65 HN VAL 65 -25.072 2.235 -1.139 484 HA VAL 65 HA VAL 65 -25.570 2.846 -3.900 485 HB VAL 65 HB VAL 65 -23.703 4.466 -3.745 486 HG11 VAL 65 HG11 VAL 65 -25.913 5.190 -3.091 487 HG12 VAL 65 HG12 VAL 65 -24.697 5.958 -2.069 488 HG13 VAL 65 HG13 VAL 65 -25.646 4.606 -1.450 489 HG21 VAL 65 HG21 VAL 65 -22.575 4.856 -1.596 490 HG22 VAL 65 HG22 VAL 65 -22.239 3.236 -2.212 491 HG23 VAL 65 HG23 VAL 65 -23.406 3.460 -0.910 492 H LEU 66 HN LEU 66 -23.809 0.716 -2.327 493 HA LEU 66 HA LEU 66 -22.171 -0.855 -2.765 494 HB2 LEU 66 HB2 LEU 66 -23.250 -0.523 -5.556 495 HB3 LEU 66 HB1 LEU 66 -22.101 -1.755 -5.073 496 HG LEU 66 HG LEU 66 -24.885 -1.502 -3.923 497 HD11 LEU 66 HD11 LEU 66 -23.824 -3.441 -5.977 498 HD12 LEU 66 HD12 LEU 66 -24.909 -2.094 -6.321 499 HD13 LEU 66 HD13 LEU 66 -25.447 -3.425 -5.300 500 HD21 LEU 66 HD21 LEU 66 -24.431 -3.774 -3.084 501 HD22 LEU 66 HD22 LEU 66 -23.318 -2.592 -2.408 502 HD23 LEU 66 HD23 LEU 66 -22.782 -3.667 -3.701 503 H ASN 67 HN ASN 67 -21.786 0.900 -5.647 504 HA ASN 67 HA ASN 67 -19.961 1.613 -6.828 505 HB2 ASN 67 HB2 ASN 67 -19.265 2.750 -4.118 506 HB3 ASN 67 HB1 ASN 67 -18.395 3.139 -5.600 507 HD21 ASN 67 HD21 ASN 67 -19.419 4.390 -7.147 508 HD22 ASN 67 HD22 ASN 67 -20.815 5.338 -6.806 509 H PHE 68 HN PHE 68 -19.048 -0.244 -7.540 510 HA PHE 68 HA PHE 68 -16.683 -1.122 -6.106 511 HB2 PHE 68 HB2 PHE 68 -17.245 -3.436 -6.953 512 HB3 PHE 68 HB1 PHE 68 -18.310 -2.832 -5.695 513 HD1 PHE 68 HD2 PHE 68 -18.049 -3.455 -9.340 514 HD2 PHE 68 HD1 PHE 68 -20.626 -2.607 -6.080 515 HE1 PHE 68 HE2 PHE 68 -19.982 -3.933 -10.760 516 HE2 PHE 68 HE1 PHE 68 -22.583 -3.086 -7.508 517 HZ PHE 68 HZ PHE 68 -22.258 -3.748 -9.848 518 H ASP 69 HN ASP 69 -15.633 -2.750 -7.870 519 HA ASP 69 HA ASP 69 -14.888 -0.957 -9.983 520 HB2 ASP 69 HB2 ASP 69 -13.061 -2.394 -10.489 521 HB3 ASP 69 HB1 ASP 69 -13.223 -2.480 -8.747 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 34.964 -4.908 0.696 2 H2 GLY 1 HT2 GLY 1 33.919 -3.690 0.170 3 H3 GLY 1 HT3 GLY 1 33.291 -5.055 0.933 4 HA2 GLY 1 HA1 GLY 1 34.453 -4.438 2.972 5 HA3 GLY 1 HA2 GLY 1 34.997 -2.984 2.126 6 HA PRO 2 HA PRO 2 31.212 -1.662 4.371 7 HB2 PRO 2 HB2 PRO 2 32.445 0.984 3.905 8 HB3 PRO 2 HB1 PRO 2 31.879 0.268 5.414 9 HG2 PRO 2 HG2 PRO 2 34.489 0.540 4.901 10 HG3 PRO 2 HG1 PRO 2 33.859 -0.863 5.779 11 HD2 PRO 2 HD2 PRO 2 34.722 -0.647 2.923 12 HD3 PRO 2 HD1 PRO 2 34.974 -1.965 4.090 13 H HIS 3 HN HIS 3 29.495 -1.626 3.178 14 HA HIS 3 HA HIS 3 29.511 -0.034 0.742 15 HB2 HIS 3 HB2 HIS 3 27.760 -1.672 -0.127 16 HB3 HIS 3 HB1 HIS 3 29.398 -2.284 0.008 17 HD1 HIS 3 HD1 HIS 3 29.819 -4.090 1.948 18 HD2 HIS 3 HD2 HIS 3 25.855 -2.975 1.354 19 HE1 HIS 3 HE1 HIS 3 28.420 -5.821 3.123 20 H MET 4 HN MET 4 28.358 1.657 0.798 21 HA MET 4 HA MET 4 26.025 1.798 2.543 22 HB2 MET 4 HB2 MET 4 27.753 3.380 3.225 23 HB3 MET 4 HB1 MET 4 27.901 3.974 1.584 24 HG2 MET 4 HG2 MET 4 26.674 5.539 2.988 25 HG3 MET 4 HG1 MET 4 25.666 4.917 1.690 26 HE1 MET 4 HE1 MET 4 25.302 3.549 6.098 27 HE2 MET 4 HE2 MET 4 26.468 4.750 5.542 28 HE3 MET 4 HE3 MET 4 26.642 3.060 5.064 29 H ASP 5 HN ASP 5 24.500 1.142 1.203 30 HA ASP 5 HA ASP 5 24.046 2.720 -1.218 31 HB2 ASP 5 HB2 ASP 5 23.511 -0.226 -0.795 32 HB3 ASP 5 HB1 ASP 5 22.877 0.702 -2.142 33 H VAL 6 HN VAL 6 22.185 3.722 -1.212 34 HA VAL 6 HA VAL 6 20.092 2.913 0.701 35 HB VAL 6 HB VAL 6 20.535 5.715 -0.397 36 HG11 VAL 6 HG11 VAL 6 19.201 6.450 1.517 37 HG12 VAL 6 HG12 VAL 6 19.041 4.774 2.048 38 HG13 VAL 6 HG13 VAL 6 18.327 5.286 0.519 39 HG21 VAL 6 HG21 VAL 6 22.576 5.178 0.824 40 HG22 VAL 6 HG22 VAL 6 21.627 4.706 2.234 41 HG23 VAL 6 HG23 VAL 6 21.633 6.385 1.693 42 H HIS 7 HN HIS 7 20.793 1.988 -1.878 43 HA HIS 7 HA HIS 7 18.965 3.299 -3.464 44 HB2 HIS 7 HB2 HIS 7 20.709 0.935 -4.121 45 HB3 HIS 7 HB1 HIS 7 19.531 1.531 -5.279 46 HD1 HIS 7 HD1 HIS 7 20.060 3.817 -6.428 47 HD2 HIS 7 HD2 HIS 7 22.967 2.513 -3.759 48 HE1 HIS 7 HE1 HIS 7 22.076 5.269 -6.823 49 H LYS 8 HN LYS 8 18.647 1.220 -1.190 50 HA LYS 8 HA LYS 8 16.291 -0.136 -2.306 51 HB2 LYS 8 HB2 LYS 8 17.922 -1.042 0.083 52 HB3 LYS 8 HB1 LYS 8 16.547 -1.876 -0.619 53 HG2 LYS 8 HG2 LYS 8 19.229 -1.455 -1.920 54 HG3 LYS 8 HG1 LYS 8 18.619 -2.958 -1.225 55 HD2 LYS 8 HD2 LYS 8 16.845 -3.031 -2.881 56 HD3 LYS 8 HD1 LYS 8 17.384 -1.481 -3.532 57 HE2 LYS 8 HE2 LYS 8 19.545 -2.484 -4.101 58 HE3 LYS 8 HE1 LYS 8 18.969 -4.041 -3.505 59 HZ1 LYS 8 HZ1 LYS 8 17.801 -2.505 -5.751 60 HZ2 LYS 8 HZ2 LYS 8 17.252 -4.014 -5.175 61 HZ3 LYS 8 HZ3 LYS 8 18.771 -3.885 -5.886 62 H LYS 9 HN LYS 9 15.037 1.711 -1.865 63 HA LYS 9 HA LYS 9 14.308 1.868 0.964 64 HB2 LYS 9 HB2 LYS 9 13.831 4.233 0.663 65 HB3 LYS 9 HB1 LYS 9 15.548 3.958 0.443 66 HG2 LYS 9 HG2 LYS 9 15.099 3.941 -2.024 67 HG3 LYS 9 HG1 LYS 9 13.438 4.398 -1.649 68 HD2 LYS 9 HD2 LYS 9 14.340 6.368 -0.463 69 HD3 LYS 9 HD1 LYS 9 15.943 5.893 -1.059 70 HE2 LYS 9 HE2 LYS 9 13.543 6.613 -2.752 71 HE3 LYS 9 HE1 LYS 9 14.966 7.615 -2.505 72 HZ1 LYS 9 HZ1 LYS 9 16.302 5.908 -3.615 73 HZ2 LYS 9 HZ2 LYS 9 15.039 6.433 -4.609 74 HZ3 LYS 9 HZ3 LYS 9 14.920 4.964 -3.836 75 H CYS 10 HN CYS 10 12.273 1.906 1.329 76 HA CYS 10 HA CYS 10 10.307 1.256 -0.618 77 HB2 CYS 10 HB2 CYS 10 10.102 0.762 1.762 78 HB3 CYS 10 HB1 CYS 10 10.180 2.454 2.132 79 HA PRO 11 HA PRO 11 10.503 5.549 -1.963 80 HB2 PRO 11 HB2 PRO 11 8.970 5.292 -4.208 81 HB3 PRO 11 HB1 PRO 11 10.662 4.799 -4.136 82 HG2 PRO 11 HG2 PRO 11 8.201 3.129 -3.987 83 HG3 PRO 11 HG1 PRO 11 9.737 2.758 -4.759 84 HD2 PRO 11 HD2 PRO 11 8.963 1.782 -2.322 85 HD3 PRO 11 HD1 PRO 11 10.652 1.960 -2.829 86 H LEU 12 HN LEU 12 8.096 3.900 -0.632 87 HA LEU 12 HA LEU 12 5.979 5.836 -1.033 88 HB2 LEU 12 HB2 LEU 12 6.038 3.099 0.211 89 HB3 LEU 12 HB1 LEU 12 4.646 4.153 0.324 90 HG LEU 12 HG LEU 12 4.454 4.184 -2.077 91 HD11 LEU 12 HD11 LEU 12 5.613 2.503 -3.479 92 HD12 LEU 12 HD12 LEU 12 6.665 2.143 -2.100 93 HD13 LEU 12 HD13 LEU 12 6.669 3.750 -2.821 94 HD21 LEU 12 HD21 LEU 12 3.626 1.905 -2.394 95 HD22 LEU 12 HD22 LEU 12 3.144 2.608 -0.850 96 HD23 LEU 12 HD23 LEU 12 4.456 1.425 -0.918 97 H CYS 13 HN CYS 13 8.179 4.744 1.436 98 HA CYS 13 HA CYS 13 7.071 6.889 3.157 99 HB2 CYS 13 HB2 CYS 13 7.338 5.631 5.157 100 HB3 CYS 13 HB1 CYS 13 6.380 4.706 3.989 101 H GLU 14 HN GLU 14 9.730 5.600 1.716 102 HA GLU 14 HA GLU 14 11.946 5.911 1.720 103 HB2 GLU 14 HB2 GLU 14 11.330 8.363 3.397 104 HB3 GLU 14 HB1 GLU 14 12.882 8.019 2.650 105 HG2 GLU 14 HG2 GLU 14 10.301 8.468 1.169 106 HG3 GLU 14 HG1 GLU 14 11.556 9.681 1.412 107 H LEU 15 HN LEU 15 12.027 4.006 2.795 108 HA LEU 15 HA LEU 15 13.215 4.242 5.456 109 HB2 LEU 15 HB2 LEU 15 10.955 3.159 5.526 110 HB3 LEU 15 HB1 LEU 15 11.544 1.953 4.401 111 HG LEU 15 HG LEU 15 13.298 1.366 6.144 112 HD11 LEU 15 HD11 LEU 15 13.072 3.408 7.495 113 HD12 LEU 15 HD12 LEU 15 12.795 1.906 8.403 114 HD13 LEU 15 HD13 LEU 15 11.419 2.883 7.888 115 HD21 LEU 15 HD21 LEU 15 10.425 0.978 6.847 116 HD22 LEU 15 HD22 LEU 15 11.794 -0.016 7.387 117 HD23 LEU 15 HD23 LEU 15 11.347 0.039 5.675 118 H MET 16 HN MET 16 15.193 3.298 5.502 119 HA MET 16 HA MET 16 16.255 2.453 2.989 120 HB2 MET 16 HB2 MET 16 17.440 4.097 4.304 121 HB3 MET 16 HB1 MET 16 17.498 2.999 5.676 122 HG2 MET 16 HG2 MET 16 18.911 1.487 4.414 123 HG3 MET 16 HG1 MET 16 18.741 2.566 3.025 124 HE1 MET 16 HE1 MET 16 21.475 2.422 2.921 125 HE2 MET 16 HE2 MET 16 21.528 1.481 4.412 126 HE3 MET 16 HE3 MET 16 22.521 2.930 4.247 127 H PHE 17 HN PHE 17 16.778 0.451 2.472 128 HA PHE 17 HA PHE 17 16.900 -1.582 4.554 129 HB2 PHE 17 HB2 PHE 17 15.948 -1.864 1.684 130 HB3 PHE 17 HB1 PHE 17 16.148 -3.194 2.812 131 HD1 PHE 17 HD2 PHE 17 14.747 -3.069 4.986 132 HD2 PHE 17 HD1 PHE 17 13.924 -0.807 1.483 133 HE1 PHE 17 HE2 PHE 17 12.416 -2.756 5.737 134 HE2 PHE 17 HE1 PHE 17 11.601 -0.501 2.224 135 HZ PHE 17 HZ PHE 17 10.846 -1.485 4.339 136 HA PRO 18 HA PRO 18 21.064 -2.261 3.099 137 HB2 PRO 18 HB2 PRO 18 20.521 -5.167 3.182 138 HB3 PRO 18 HB1 PRO 18 21.736 -4.238 4.054 139 HG2 PRO 18 HG2 PRO 18 19.587 -5.236 5.289 140 HG3 PRO 18 HG1 PRO 18 20.292 -3.681 5.753 141 HD2 PRO 18 HD2 PRO 18 17.829 -4.253 4.175 142 HD3 PRO 18 HD1 PRO 18 18.161 -2.961 5.345 143 HA PRO 19 HA PRO 19 20.719 -3.058 -1.336 144 HB2 PRO 19 HB2 PRO 19 23.329 -3.833 -1.767 145 HB3 PRO 19 HB1 PRO 19 22.782 -2.156 -1.714 146 HG2 PRO 19 HG2 PRO 19 24.101 -3.789 0.395 147 HG3 PRO 19 HG1 PRO 19 24.337 -2.080 -0.010 148 HD2 PRO 19 HD2 PRO 19 22.898 -2.834 2.124 149 HD3 PRO 19 HD1 PRO 19 22.440 -1.418 1.162 150 H ASN 20 HN ASN 20 21.754 -5.479 0.879 151 HA ASN 20 HA ASN 20 21.220 -7.380 -1.222 152 HB2 ASN 20 HB2 ASN 20 22.783 -7.792 1.334 153 HB3 ASN 20 HB1 ASN 20 22.344 -9.109 0.260 154 HD21 ASN 20 HD21 ASN 20 24.963 -8.124 1.020 155 HD22 ASN 20 HD22 ASN 20 25.774 -7.707 -0.437 156 H TYR 21 HN TYR 21 19.149 -5.948 0.552 157 HA TYR 21 HA TYR 21 18.035 -8.013 2.080 158 HB2 TYR 21 HB2 TYR 21 17.859 -5.845 2.831 159 HB3 TYR 21 HB1 TYR 21 17.285 -5.190 1.295 160 HD1 TYR 21 HD1 TYR 21 16.486 -7.214 4.231 161 HD2 TYR 21 HD2 TYR 21 14.995 -5.128 0.910 162 HE1 TYR 21 HE1 TYR 21 14.197 -7.351 5.214 163 HE2 TYR 21 HE2 TYR 21 12.695 -5.231 1.835 164 HH TYR 21 HH TYR 21 11.377 -6.495 3.410 165 H ASP 22 HN ASP 22 16.074 -8.778 1.603 166 HA ASP 22 HA ASP 22 15.809 -9.946 -0.974 167 HB2 ASP 22 HB2 ASP 22 14.813 -10.767 1.399 168 HB3 ASP 22 HB1 ASP 22 13.572 -9.705 0.830 169 H GLN 23 HN GLN 23 15.002 -9.196 -2.570 170 HA GLN 23 HA GLN 23 13.792 -6.715 -2.933 171 HB2 GLN 23 HB2 GLN 23 14.036 -9.150 -4.572 172 HB3 GLN 23 HB1 GLN 23 13.092 -7.790 -5.168 173 HG2 GLN 23 HG2 GLN 23 16.010 -7.761 -4.359 174 HG3 GLN 23 HG1 GLN 23 15.411 -7.795 -6.015 175 HE21 GLN 23 HE21 GLN 23 13.240 -5.901 -5.483 176 HE22 GLN 23 HE22 GLN 23 14.000 -4.366 -5.333 177 H SER 24 HN SER 24 12.349 -9.885 -2.503 178 HA SER 24 HA SER 24 9.776 -8.797 -3.149 179 HB2 SER 24 HB2 SER 24 10.590 -11.571 -2.312 180 HB3 SER 24 HB1 SER 24 8.936 -11.097 -2.722 181 HG SER 24 HG SER 24 9.862 -10.260 -4.679 182 H LYS 25 HN LYS 25 11.529 -9.661 -0.294 183 HA LYS 25 HA LYS 25 9.350 -9.276 1.522 184 HB2 LYS 25 HB2 LYS 25 12.287 -8.838 1.979 185 HB3 LYS 25 HB1 LYS 25 11.154 -9.036 3.291 186 HG2 LYS 25 HG2 LYS 25 12.027 -11.073 1.265 187 HG3 LYS 25 HG1 LYS 25 12.338 -11.075 2.993 188 HD2 LYS 25 HD2 LYS 25 10.089 -11.637 3.474 189 HD3 LYS 25 HD1 LYS 25 9.567 -11.254 1.830 190 HE2 LYS 25 HE2 LYS 25 11.500 -13.450 2.539 191 HE3 LYS 25 HE1 LYS 25 9.778 -13.687 2.246 192 HZ1 LYS 25 HZ1 LYS 25 10.039 -12.961 -0.004 193 HZ2 LYS 25 HZ2 LYS 25 11.214 -14.132 0.254 194 HZ3 LYS 25 HZ3 LYS 25 11.642 -12.519 0.199 195 H PHE 26 HN PHE 26 11.528 -7.174 -0.105 196 HA PHE 26 HA PHE 26 10.898 -4.717 1.104 197 HB2 PHE 26 HB2 PHE 26 12.823 -4.915 -0.312 198 HB3 PHE 26 HB1 PHE 26 11.864 -5.558 -1.626 199 HD1 PHE 26 HD1 PHE 26 12.380 -2.490 0.388 200 HD2 PHE 26 HD2 PHE 26 11.123 -4.172 -3.308 201 HE1 PHE 26 HE1 PHE 26 12.228 -0.245 -0.586 202 HE2 PHE 26 HE2 PHE 26 10.966 -1.927 -4.289 203 HZ PHE 26 HZ PHE 26 11.521 0.039 -2.927 204 H GLU 27 HN GLU 27 9.644 -6.409 -1.730 205 HA GLU 27 HA GLU 27 7.591 -4.644 -2.446 206 HB2 GLU 27 HB2 GLU 27 7.757 -7.631 -2.891 207 HB3 GLU 27 HB1 GLU 27 6.690 -6.528 -3.750 208 HG2 GLU 27 HG2 GLU 27 8.585 -5.372 -4.693 209 HG3 GLU 27 HG1 GLU 27 9.686 -6.383 -3.773 210 H GLU 28 HN GLU 28 7.584 -7.363 -0.209 211 HA GLU 28 HA GLU 28 4.804 -7.236 0.567 212 HB2 GLU 28 HB2 GLU 28 7.118 -7.893 2.396 213 HB3 GLU 28 HB1 GLU 28 5.445 -8.385 2.579 214 HG2 GLU 28 HG2 GLU 28 7.350 -9.359 0.461 215 HG3 GLU 28 HG1 GLU 28 6.896 -10.233 1.921 216 H HIS 29 HN HIS 29 7.489 -5.351 1.475 217 HA HIS 29 HA HIS 29 5.846 -4.217 3.373 218 HB2 HIS 29 HB2 HIS 29 8.108 -4.190 4.056 219 HB3 HIS 29 HB1 HIS 29 8.654 -3.597 2.510 220 HD1 HIS 29 HD1 HIS 29 8.133 -2.483 5.958 221 HD2 HIS 29 HD2 HIS 29 8.037 -0.787 2.208 222 HE1 HIS 29 HE1 HIS 29 8.695 -0.013 6.297 223 H VAL 30 HN VAL 30 6.855 -3.428 0.144 224 HA VAL 30 HA VAL 30 5.594 -0.789 -0.076 225 HB VAL 30 HB VAL 30 6.099 -2.801 -2.306 226 HG11 VAL 30 HG11 VAL 30 5.924 0.207 -2.324 227 HG12 VAL 30 HG12 VAL 30 4.667 -0.893 -2.903 228 HG13 VAL 30 HG13 VAL 30 6.228 -0.808 -3.729 229 HG21 VAL 30 HG21 VAL 30 8.192 -2.454 -1.121 230 HG22 VAL 30 HG22 VAL 30 7.993 -0.706 -1.254 231 HG23 VAL 30 HG23 VAL 30 8.242 -1.677 -2.706 232 H GLU 31 HN GLU 31 4.373 -4.050 -0.691 233 HA GLU 31 HA GLU 31 1.876 -2.995 -1.500 234 HB2 GLU 31 HB2 GLU 31 1.006 -5.249 -1.478 235 HB3 GLU 31 HB1 GLU 31 2.700 -5.331 -1.964 236 HG2 GLU 31 HG2 GLU 31 3.393 -6.190 -0.004 237 HG3 GLU 31 HG1 GLU 31 1.892 -5.813 0.845 238 H SER 32 HN SER 32 3.288 -3.428 1.595 239 HA SER 32 HA SER 32 0.843 -3.488 3.032 240 HB2 SER 32 HB2 SER 32 3.625 -2.753 3.952 241 HB3 SER 32 HB1 SER 32 2.242 -3.002 5.023 242 HG SER 32 HG SER 32 3.282 -4.932 3.205 243 H HIS 33 HN HIS 33 2.876 -0.934 1.738 244 HA HIS 33 HA HIS 33 1.469 1.143 3.101 245 HB2 HIS 33 HB2 HIS 33 3.291 1.113 0.769 246 HB3 HIS 33 HB1 HIS 33 2.476 2.585 1.294 247 HD1 HIS 33 HD1 HIS 33 3.500 3.730 3.399 248 HD2 HIS 33 HD2 HIS 33 5.009 -0.036 2.582 249 HE1 HIS 33 HE1 HIS 33 5.392 3.349 5.023 250 H TRP 34 HN TRP 34 0.904 -0.577 0.056 251 HA TRP 34 HA TRP 34 -0.945 1.137 -1.044 252 HB2 TRP 34 HB2 TRP 34 -0.453 -1.833 -1.035 253 HB3 TRP 34 HB1 TRP 34 -1.570 -0.983 -2.164 254 HD1 TRP 34 HD1 TRP 34 1.715 0.786 -1.846 255 HE1 TRP 34 HE1 TRP 34 3.125 0.002 -3.698 256 HE3 TRP 34 HE3 TRP 34 -0.947 -3.037 -3.060 257 HZ2 TRP 34 HZ2 TRP 34 3.192 -2.148 -5.619 258 HZ3 TRP 34 HZ3 TRP 34 -0.239 -4.631 -4.994 259 HH2 TRP 34 HH2 TRP 34 1.838 -4.127 -6.213 260 H LYS 35 HN LYS 35 -2.784 1.595 -0.367 261 HA LYS 35 HA LYS 35 -3.741 0.663 2.183 262 HB2 LYS 35 HB2 LYS 35 -5.090 2.662 0.361 263 HB3 LYS 35 HB1 LYS 35 -5.337 2.462 2.088 264 HG2 LYS 35 HG2 LYS 35 -2.814 3.476 0.777 265 HG3 LYS 35 HG1 LYS 35 -4.024 4.462 1.588 266 HD2 LYS 35 HD2 LYS 35 -3.516 3.410 3.712 267 HD3 LYS 35 HD1 LYS 35 -2.416 2.280 2.920 268 HE2 LYS 35 HE2 LYS 35 -0.967 4.140 2.256 269 HE3 LYS 35 HE1 LYS 35 -2.079 5.281 3.006 270 HZ1 LYS 35 HZ1 LYS 35 -0.617 3.144 4.451 271 HZ2 LYS 35 HZ2 LYS 35 -1.593 4.352 5.137 272 HZ3 LYS 35 HZ3 LYS 35 -0.151 4.769 4.391 273 H VAL 36 HN VAL 36 -4.592 -0.951 2.365 274 HA VAL 36 HA VAL 36 -6.259 -2.148 0.303 275 HB VAL 36 HB VAL 36 -4.396 -3.403 1.233 276 HG11 VAL 36 HG11 VAL 36 -4.438 -4.357 3.446 277 HG12 VAL 36 HG12 VAL 36 -5.839 -3.345 3.843 278 HG13 VAL 36 HG13 VAL 36 -4.288 -2.598 3.432 279 HG21 VAL 36 HG21 VAL 36 -6.275 -4.661 0.310 280 HG22 VAL 36 HG22 VAL 36 -7.070 -4.643 1.885 281 HG23 VAL 36 HG23 VAL 36 -5.559 -5.529 1.670 282 H CYS 37 HN CYS 37 -8.403 -2.350 0.361 283 HA CYS 37 HA CYS 37 -9.908 -1.456 2.629 284 HB2 CYS 37 HB2 CYS 37 -10.655 -1.067 0.294 285 HB3 CYS 37 HB1 CYS 37 -10.615 -2.785 0.017 286 HA PRO 38 HA PRO 38 -9.286 -5.511 4.374 287 HB2 PRO 38 HB2 PRO 38 -11.062 -5.328 6.433 288 HB3 PRO 38 HB1 PRO 38 -9.492 -4.520 6.442 289 HG2 PRO 38 HG2 PRO 38 -12.192 -3.410 5.808 290 HG3 PRO 38 HG1 PRO 38 -10.878 -2.684 6.751 291 HD2 PRO 38 HD2 PRO 38 -11.399 -2.062 4.127 292 HD3 PRO 38 HD1 PRO 38 -9.763 -1.961 4.841 293 H MET 39 HN MET 39 -12.195 -4.375 3.138 294 HA MET 39 HA MET 39 -13.502 -6.994 3.348 295 HB2 MET 39 HB2 MET 39 -14.541 -4.228 2.889 296 HB3 MET 39 HB1 MET 39 -15.542 -5.656 2.672 297 HG2 MET 39 HG2 MET 39 -15.435 -6.254 4.941 298 HG3 MET 39 HG1 MET 39 -14.069 -5.190 5.243 299 HE1 MET 39 HE1 MET 39 -14.217 -2.721 5.842 300 HE2 MET 39 HE2 MET 39 -15.606 -1.696 5.484 301 HE3 MET 39 HE3 MET 39 -14.703 -2.442 4.169 302 H CYS 40 HN CYS 40 -11.736 -5.184 1.146 303 HA CYS 40 HA CYS 40 -12.995 -6.627 -1.098 304 HB2 CYS 40 HB2 CYS 40 -11.905 -3.922 -0.834 305 HB3 CYS 40 HB1 CYS 40 -11.758 -4.694 -2.454 306 H SER 41 HN SER 41 -10.106 -5.831 0.645 307 HA SER 41 HA SER 41 -7.995 -6.468 0.609 308 HB2 SER 41 HB2 SER 41 -8.991 -8.818 0.320 309 HB3 SER 41 HB1 SER 41 -8.729 -8.626 -1.412 310 HG SER 41 HG SER 41 -6.495 -8.311 -0.940 311 H GLU 42 HN GLU 42 -9.139 -4.536 -1.137 312 HA GLU 42 HA GLU 42 -7.534 -4.580 -3.542 313 HB2 GLU 42 HB2 GLU 42 -10.117 -4.151 -3.453 314 HB3 GLU 42 HB1 GLU 42 -9.570 -2.701 -2.631 315 HG2 GLU 42 HG2 GLU 42 -8.603 -1.753 -4.463 316 HG3 GLU 42 HG1 GLU 42 -8.502 -3.281 -5.334 317 H GLN 43 HN GLN 43 -5.995 -3.786 -3.308 318 HA GLN 43 HA GLN 43 -5.139 -1.834 -1.276 319 HB2 GLN 43 HB2 GLN 43 -3.765 -3.430 -3.336 320 HB3 GLN 43 HB1 GLN 43 -2.890 -2.501 -2.068 321 HG2 GLN 43 HG2 GLN 43 -4.322 -4.078 -0.522 322 HG3 GLN 43 HG1 GLN 43 -4.491 -5.026 -1.979 323 HE21 GLN 43 HE21 GLN 43 -2.700 -5.985 -2.876 324 HE22 GLN 43 HE22 GLN 43 -1.273 -6.275 -1.976 325 H PHE 44 HN PHE 44 -5.016 0.112 -1.744 326 HA PHE 44 HA PHE 44 -5.068 1.034 -4.496 327 HB2 PHE 44 HB2 PHE 44 -5.735 2.304 -1.869 328 HB3 PHE 44 HB1 PHE 44 -5.587 3.237 -3.354 329 HD1 PHE 44 HD1 PHE 44 -7.519 0.630 -1.590 330 HD2 PHE 44 HD2 PHE 44 -7.319 3.084 -5.048 331 HE1 PHE 44 HE1 PHE 44 -9.825 0.002 -2.158 332 HE2 PHE 44 HE2 PHE 44 -9.623 2.470 -5.619 333 HZ PHE 44 HZ PHE 44 -10.885 0.927 -4.173 334 HA PRO 45 HA PRO 45 -0.872 2.076 -4.363 335 HB2 PRO 45 HB2 PRO 45 -0.775 4.167 -6.088 336 HB3 PRO 45 HB1 PRO 45 -1.047 2.498 -6.606 337 HG2 PRO 45 HG2 PRO 45 -3.033 4.692 -6.162 338 HG3 PRO 45 HG1 PRO 45 -2.930 3.530 -7.498 339 HD2 PRO 45 HD2 PRO 45 -4.624 3.241 -5.428 340 HD3 PRO 45 HD1 PRO 45 -3.910 1.843 -6.275 341 HA PRO 46 HA PRO 46 -0.013 5.226 -1.399 342 HB2 PRO 46 HB2 PRO 46 2.431 6.106 -2.172 343 HB3 PRO 46 HB1 PRO 46 2.173 4.510 -1.451 344 HG2 PRO 46 HG2 PRO 46 2.336 5.242 -4.368 345 HG3 PRO 46 HG1 PRO 46 3.217 3.962 -3.511 346 HD2 PRO 46 HD2 PRO 46 1.060 3.359 -4.894 347 HD3 PRO 46 HD1 PRO 46 1.306 2.631 -3.291 348 H ASP 47 HN ASP 47 -0.243 6.048 -4.723 349 HA ASP 47 HA ASP 47 0.047 8.910 -4.203 350 HB2 ASP 47 HB2 ASP 47 0.244 9.195 -6.585 351 HB3 ASP 47 HB1 ASP 47 1.296 7.868 -6.102 352 H TYR 48 HN TYR 48 -2.386 6.880 -3.699 353 HA TYR 48 HA TYR 48 -4.406 8.112 -5.244 354 HB2 TYR 48 HB2 TYR 48 -4.029 5.614 -4.399 355 HB3 TYR 48 HB1 TYR 48 -4.748 6.248 -2.933 356 HD1 TYR 48 HD2 TYR 48 -5.317 6.012 -6.564 357 HD2 TYR 48 HD1 TYR 48 -7.067 6.241 -2.713 358 HE1 TYR 48 HE2 TYR 48 -7.515 5.596 -7.565 359 HE2 TYR 48 HE1 TYR 48 -9.280 5.815 -3.682 360 HH TYR 48 HH TYR 48 -9.638 4.701 -6.879 361 H ASP 49 HN ASP 49 -6.281 8.344 -3.361 362 HA ASP 49 HA ASP 49 -5.204 10.404 -1.570 363 HB2 ASP 49 HB2 ASP 49 -6.972 11.078 -3.424 364 HB3 ASP 49 HB1 ASP 49 -8.059 10.180 -2.398 365 H GLN 50 HN GLN 50 -5.494 10.011 0.492 366 HA GLN 50 HA GLN 50 -6.438 7.537 1.386 367 HB2 GLN 50 HB2 GLN 50 -5.682 10.045 2.829 368 HB3 GLN 50 HB1 GLN 50 -6.436 8.713 3.687 369 HG2 GLN 50 HG2 GLN 50 -4.024 8.258 1.991 370 HG3 GLN 50 HG1 GLN 50 -3.896 8.893 3.631 371 HE21 GLN 50 HE21 GLN 50 -6.450 6.583 2.852 372 HE22 GLN 50 HE22 GLN 50 -5.739 5.281 3.725 373 H GLN 51 HN GLN 51 -8.018 10.620 1.055 374 HA GLN 51 HA GLN 51 -10.238 9.784 2.649 375 HB2 GLN 51 HB2 GLN 51 -9.939 12.168 0.830 376 HB3 GLN 51 HB1 GLN 51 -11.303 11.880 1.895 377 HG2 GLN 51 HG2 GLN 51 -9.690 11.899 3.812 378 HG3 GLN 51 HG1 GLN 51 -8.463 12.449 2.671 379 HE21 GLN 51 HE21 GLN 51 -8.223 14.423 3.687 380 HE22 GLN 51 HE22 GLN 51 -9.430 15.653 3.596 381 H VAL 52 HN VAL 52 -9.380 9.792 -0.771 382 HA VAL 52 HA VAL 52 -12.023 9.186 -1.645 383 HB VAL 52 HB VAL 52 -9.313 8.795 -2.998 384 HG11 VAL 52 HG11 VAL 52 -10.467 8.492 -5.064 385 HG12 VAL 52 HG12 VAL 52 -12.038 8.578 -4.264 386 HG13 VAL 52 HG13 VAL 52 -10.947 7.221 -3.941 387 HG21 VAL 52 HG21 VAL 52 -11.475 10.843 -3.430 388 HG22 VAL 52 HG22 VAL 52 -9.943 10.747 -4.301 389 HG23 VAL 52 HG23 VAL 52 -9.959 11.114 -2.579 390 H PHE 53 HN PHE 53 -9.247 7.420 -0.599 391 HA PHE 53 HA PHE 53 -10.195 4.804 -1.066 392 HB2 PHE 53 HB2 PHE 53 -7.864 5.033 -0.698 393 HB3 PHE 53 HB1 PHE 53 -8.105 5.963 0.773 394 HD1 PHE 53 HD2 PHE 53 -8.737 2.576 -0.641 395 HD2 PHE 53 HD1 PHE 53 -7.914 4.916 2.805 396 HE1 PHE 53 HE2 PHE 53 -8.532 0.527 0.703 397 HE2 PHE 53 HE1 PHE 53 -7.710 2.890 4.149 398 HZ PHE 53 HZ PHE 53 -8.017 0.680 3.103 399 H GLU 54 HN GLU 54 -10.305 6.923 1.812 400 HA GLU 54 HA GLU 54 -11.653 5.063 3.398 401 HB2 GLU 54 HB2 GLU 54 -11.649 8.066 3.625 402 HB3 GLU 54 HB1 GLU 54 -12.306 6.981 4.841 403 HG2 GLU 54 HG2 GLU 54 -9.988 5.943 4.975 404 HG3 GLU 54 HG1 GLU 54 -9.451 7.283 3.980 405 H ARG 55 HN ARG 55 -12.890 7.514 1.192 406 HA ARG 55 HA ARG 55 -15.615 7.127 1.818 407 HB2 ARG 55 HB2 ARG 55 -14.136 8.279 -0.443 408 HB3 ARG 55 HB1 ARG 55 -15.748 7.721 -0.836 409 HG2 ARG 55 HG2 ARG 55 -15.849 10.078 -0.306 410 HG3 ARG 55 HG1 ARG 55 -16.670 9.165 0.947 411 HD2 ARG 55 HD2 ARG 55 -14.705 9.380 2.387 412 HD3 ARG 55 HD1 ARG 55 -13.876 10.286 1.122 413 HE ARG 55 HE ARG 55 -16.428 11.272 2.142 414 HH11 ARG 55 HH11 ARG 55 -12.986 11.762 1.719 415 HH12 ARG 55 HH12 ARG 55 -12.889 13.296 2.452 416 HH21 ARG 55 HH21 ARG 55 -16.405 13.428 3.119 417 HH22 ARG 55 HH22 ARG 55 -14.928 14.280 3.248 418 H HIS 56 HN HIS 56 -13.454 5.381 -0.335 419 HA HIS 56 HA HIS 56 -15.362 3.645 -1.426 420 HB2 HIS 56 HB2 HIS 56 -13.207 3.661 -2.458 421 HB3 HIS 56 HB1 HIS 56 -12.387 3.355 -0.938 422 HD1 HIS 56 HD1 HIS 56 -14.476 1.546 -3.553 423 HD2 HIS 56 HD2 HIS 56 -11.915 0.738 -0.393 424 HE1 HIS 56 HE1 HIS 56 -14.082 -0.989 -3.565 425 H VAL 57 HN VAL 57 -13.393 3.420 1.471 426 HA VAL 57 HA VAL 57 -14.262 0.786 2.148 427 HB VAL 57 HB VAL 57 -12.972 2.891 3.911 428 HG11 VAL 57 HG11 VAL 57 -13.225 -0.091 4.349 429 HG12 VAL 57 HG12 VAL 57 -14.095 1.166 5.225 430 HG13 VAL 57 HG13 VAL 57 -12.343 1.036 5.389 431 HG21 VAL 57 HG21 VAL 57 -10.889 1.656 3.490 432 HG22 VAL 57 HG22 VAL 57 -11.589 2.294 2.001 433 HG23 VAL 57 HG23 VAL 57 -11.764 0.584 2.397 434 H GLN 58 HN GLN 58 -15.259 3.982 3.021 435 HA GLN 58 HA GLN 58 -17.025 3.288 5.030 436 HB2 GLN 58 HB2 GLN 58 -16.695 5.652 3.308 437 HB3 GLN 58 HB1 GLN 58 -18.073 5.574 4.420 438 HG2 GLN 58 HG2 GLN 58 -15.161 5.351 5.166 439 HG3 GLN 58 HG1 GLN 58 -16.152 6.794 5.356 440 HE21 GLN 58 HE21 GLN 58 -15.429 3.625 6.601 441 HE22 GLN 58 HE22 GLN 58 -16.369 3.776 8.027 442 H THR 59 HN THR 59 -17.462 3.165 1.589 443 HA THR 59 HA THR 59 -20.290 3.060 1.761 444 HB THR 59 HB THR 59 -20.293 2.162 -0.575 445 HG1 THR 59 HG1 THR 59 -17.445 2.209 -0.260 446 HG21 THR 59 HG21 THR 59 -19.332 4.152 -1.643 447 HG22 THR 59 HG22 THR 59 -18.513 4.549 -0.131 448 HG23 THR 59 HG23 THR 59 -20.274 4.568 -0.211 449 H HIS 60 HN HIS 60 -17.813 0.835 2.352 450 HA HIS 60 HA HIS 60 -19.427 -1.531 2.077 451 HB2 HIS 60 HB2 HIS 60 -16.765 -1.116 3.483 452 HB3 HIS 60 HB1 HIS 60 -17.526 -2.679 3.238 453 HD1 HIS 60 HD1 HIS 60 -16.773 -3.894 1.142 454 HD2 HIS 60 HD2 HIS 60 -16.182 0.208 0.923 455 HE1 HIS 60 HE1 HIS 60 -15.377 -3.448 -0.951 456 H PHE 61 HN PHE 61 -18.779 0.854 4.464 457 HA PHE 61 HA PHE 61 -20.122 -0.669 6.540 458 HB2 PHE 61 HB2 PHE 61 -18.895 2.095 6.529 459 HB3 PHE 61 HB1 PHE 61 -19.803 1.460 7.896 460 HD1 PHE 61 HD1 PHE 61 -18.955 -0.491 9.124 461 HD2 PHE 61 HD2 PHE 61 -16.644 1.437 6.131 462 HE1 PHE 61 HE1 PHE 61 -16.933 -1.564 10.010 463 HE2 PHE 61 HE2 PHE 61 -14.608 0.361 7.015 464 HZ PHE 61 HZ PHE 61 -14.752 -1.137 8.950 465 H ASP 62 HN ASP 62 -20.711 1.843 4.249 466 HA ASP 62 HA ASP 62 -23.255 2.679 5.236 467 HB2 ASP 62 HB2 ASP 62 -21.949 4.051 3.647 468 HB3 ASP 62 HB1 ASP 62 -22.099 2.762 2.455 469 H GLN 63 HN GLN 63 -22.118 0.392 3.095 470 HA GLN 63 HA GLN 63 -22.783 -1.551 2.280 471 HB2 GLN 63 HB2 GLN 63 -25.049 -1.318 4.245 472 HB3 GLN 63 HB1 GLN 63 -24.718 -2.768 3.301 473 HG2 GLN 63 HG2 GLN 63 -22.472 -2.869 4.333 474 HG3 GLN 63 HG1 GLN 63 -22.889 -1.472 5.318 475 HE21 GLN 63 HE21 GLN 63 -24.389 -1.721 6.964 476 HE22 GLN 63 HE22 GLN 63 -24.805 -3.262 7.597 477 H ASN 64 HN ASN 64 -24.173 1.186 1.570 478 HA ASN 64 HA ASN 64 -25.162 1.991 -0.241 479 HB2 ASN 64 HB2 ASN 64 -25.106 -0.851 -1.278 480 HB3 ASN 64 HB1 ASN 64 -25.585 0.544 -2.232 481 HD21 ASN 64 HD21 ASN 64 -23.991 1.988 -2.937 482 HD22 ASN 64 HD22 ASN 64 -22.320 1.611 -2.854 483 H VAL 65 HN VAL 65 -26.675 0.155 1.889 484 HA VAL 65 HA VAL 65 -28.749 -0.586 2.323 485 HB VAL 65 HB VAL 65 -28.752 1.708 3.196 486 HG11 VAL 65 HG11 VAL 65 -29.873 3.564 2.081 487 HG12 VAL 65 HG12 VAL 65 -30.064 2.572 0.634 488 HG13 VAL 65 HG13 VAL 65 -28.453 3.006 1.195 489 HG21 VAL 65 HG21 VAL 65 -31.453 0.872 2.149 490 HG22 VAL 65 HG22 VAL 65 -31.186 2.039 3.444 491 HG23 VAL 65 HG23 VAL 65 -30.700 0.357 3.658 492 H LEU 66 HN LEU 66 -28.780 -2.069 0.608 493 HA LEU 66 HA LEU 66 -30.919 -1.431 -1.246 494 HB2 LEU 66 HB2 LEU 66 -29.729 -2.796 -2.986 495 HB3 LEU 66 HB1 LEU 66 -29.061 -1.228 -2.612 496 HG LEU 66 HG LEU 66 -27.394 -2.497 -1.122 497 HD11 LEU 66 HD11 LEU 66 -26.877 -4.777 -1.797 498 HD12 LEU 66 HD12 LEU 66 -28.299 -4.794 -2.841 499 HD13 LEU 66 HD13 LEU 66 -28.492 -4.658 -1.092 500 HD21 LEU 66 HD21 LEU 66 -27.324 -2.813 -4.089 501 HD22 LEU 66 HD22 LEU 66 -25.924 -2.864 -3.006 502 HD23 LEU 66 HD23 LEU 66 -26.866 -1.374 -3.184 503 H ASN 67 HN ASN 67 -32.381 -2.918 -1.697 504 HA ASN 67 HA ASN 67 -32.435 -5.309 -0.075 505 HB2 ASN 67 HB2 ASN 67 -34.541 -4.175 -0.278 506 HB3 ASN 67 HB1 ASN 67 -34.383 -4.033 -2.020 507 HD21 ASN 67 HD21 ASN 67 -35.152 -5.637 -3.269 508 HD22 ASN 67 HD22 ASN 67 -35.929 -7.057 -2.697 509 H PHE 68 HN PHE 68 -32.328 -4.376 -3.429 510 HA PHE 68 HA PHE 68 -30.452 -6.459 -4.047 511 HB2 PHE 68 HB2 PHE 68 -33.113 -6.230 -5.523 512 HB3 PHE 68 HB1 PHE 68 -31.699 -6.983 -6.238 513 HD1 PHE 68 HD2 PHE 68 -30.638 -8.898 -4.731 514 HD2 PHE 68 HD1 PHE 68 -34.669 -7.570 -4.522 515 HE1 PHE 68 HE2 PHE 68 -31.286 -11.040 -3.719 516 HE2 PHE 68 HE1 PHE 68 -35.327 -9.710 -3.511 517 HZ PHE 68 HZ PHE 68 -33.633 -11.451 -3.106 518 H ASP 69 HN ASP 69 -32.627 -4.244 -5.683 519 HA ASP 69 HA ASP 69 -30.858 -2.125 -5.940 520 HB2 ASP 69 HB2 ASP 69 -29.752 -3.592 -7.671 521 HB3 ASP 69 HB1 ASP 69 -31.299 -3.704 -8.494 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 34.901 -1.917 -10.247 2 H2 GLY 1 HT2 GLY 1 33.406 -1.457 -9.603 3 H3 GLY 1 HT3 GLY 1 33.943 -3.044 -9.426 4 HA2 GLY 1 HA1 GLY 1 35.735 -2.356 -8.037 5 HA3 GLY 1 HA2 GLY 1 35.205 -0.687 -8.212 6 HA PRO 2 HA PRO 2 32.929 -1.637 -4.455 7 HB2 PRO 2 HB2 PRO 2 31.576 0.734 -4.310 8 HB3 PRO 2 HB1 PRO 2 33.252 0.546 -3.782 9 HG2 PRO 2 HG2 PRO 2 32.179 1.645 -6.345 10 HG3 PRO 2 HG1 PRO 2 33.520 2.233 -5.348 11 HD2 PRO 2 HD2 PRO 2 33.917 0.801 -7.591 12 HD3 PRO 2 HD1 PRO 2 34.999 0.677 -6.188 13 H HIS 3 HN HIS 3 30.821 -2.270 -3.960 14 HA HIS 3 HA HIS 3 29.143 -2.795 -6.269 15 HB2 HIS 3 HB2 HIS 3 28.682 -3.479 -3.343 16 HB3 HIS 3 HB1 HIS 3 27.663 -4.012 -4.667 17 HD1 HIS 3 HD1 HIS 3 28.212 -6.365 -5.453 18 HD2 HIS 3 HD2 HIS 3 31.453 -4.460 -3.718 19 HE1 HIS 3 HE1 HIS 3 30.040 -8.075 -5.331 20 H MET 4 HN MET 4 28.482 -1.414 -3.105 21 HA MET 4 HA MET 4 27.189 0.127 -2.302 22 HB2 MET 4 HB2 MET 4 28.359 1.734 -3.670 23 HB3 MET 4 HB1 MET 4 27.282 1.421 -5.028 24 HG2 MET 4 HG2 MET 4 25.408 2.363 -3.851 25 HG3 MET 4 HG1 MET 4 26.340 2.493 -2.372 26 HE1 MET 4 HE1 MET 4 28.218 4.113 -1.954 27 HE2 MET 4 HE2 MET 4 28.820 5.329 -3.083 28 HE3 MET 4 HE3 MET 4 29.124 3.615 -3.384 29 H ASP 5 HN ASP 5 25.499 -0.571 -1.609 30 HA ASP 5 HA ASP 5 23.037 -0.241 -2.968 31 HB2 ASP 5 HB2 ASP 5 23.398 -2.407 -3.922 32 HB3 ASP 5 HB1 ASP 5 23.924 -3.071 -2.379 33 H VAL 6 HN VAL 6 22.067 0.756 -1.545 34 HA VAL 6 HA VAL 6 21.162 -0.409 0.861 35 HB VAL 6 HB VAL 6 23.475 0.496 1.480 36 HG11 VAL 6 HG11 VAL 6 22.252 3.167 0.879 37 HG12 VAL 6 HG12 VAL 6 23.608 2.400 0.054 38 HG13 VAL 6 HG13 VAL 6 23.774 2.906 1.736 39 HG21 VAL 6 HG21 VAL 6 22.739 1.641 3.543 40 HG22 VAL 6 HG22 VAL 6 21.817 0.174 3.210 41 HG23 VAL 6 HG23 VAL 6 21.113 1.753 2.869 42 H HIS 7 HN HIS 7 20.345 0.318 -1.619 43 HA HIS 7 HA HIS 7 19.103 2.833 -1.174 44 HB2 HIS 7 HB2 HIS 7 19.381 1.217 -3.700 45 HB3 HIS 7 HB1 HIS 7 18.347 2.636 -3.586 46 HD1 HIS 7 HD1 HIS 7 19.476 4.766 -4.325 47 HD2 HIS 7 HD2 HIS 7 22.199 1.926 -2.964 48 HE1 HIS 7 HE1 HIS 7 21.770 5.754 -4.686 49 H LYS 8 HN LYS 8 18.181 1.032 0.369 50 HA LYS 8 HA LYS 8 15.616 0.192 -0.765 51 HB2 LYS 8 HB2 LYS 8 16.921 -0.715 1.799 52 HB3 LYS 8 HB1 LYS 8 15.300 -1.170 1.311 53 HG2 LYS 8 HG2 LYS 8 16.554 -3.021 0.772 54 HG3 LYS 8 HG1 LYS 8 16.476 -2.164 -0.760 55 HD2 LYS 8 HD2 LYS 8 18.705 -1.239 -0.353 56 HD3 LYS 8 HD1 LYS 8 18.775 -2.090 1.194 57 HE2 LYS 8 HE2 LYS 8 19.971 -3.399 -0.398 58 HE3 LYS 8 HE1 LYS 8 18.448 -4.228 -0.069 59 HZ1 LYS 8 HZ1 LYS 8 19.184 -2.622 -2.432 60 HZ2 LYS 8 HZ2 LYS 8 17.587 -3.112 -2.150 61 HZ3 LYS 8 HZ3 LYS 8 18.799 -4.257 -2.402 62 H LYS 9 HN LYS 9 14.706 2.262 -0.698 63 HA LYS 9 HA LYS 9 13.868 2.915 2.024 64 HB2 LYS 9 HB2 LYS 9 14.138 4.966 -0.192 65 HB3 LYS 9 HB1 LYS 9 13.550 5.228 1.420 66 HG2 LYS 9 HG2 LYS 9 15.666 6.127 1.517 67 HG3 LYS 9 HG1 LYS 9 15.887 4.530 2.219 68 HD2 LYS 9 HD2 LYS 9 17.709 5.049 0.701 69 HD3 LYS 9 HD1 LYS 9 16.744 3.724 0.051 70 HE2 LYS 9 HE2 LYS 9 17.388 5.392 -1.658 71 HE3 LYS 9 HE1 LYS 9 15.646 5.223 -1.510 72 HZ1 LYS 9 HZ1 LYS 9 15.556 7.309 -0.295 73 HZ2 LYS 9 HZ2 LYS 9 16.466 7.556 -1.692 74 HZ3 LYS 9 HZ3 LYS 9 17.239 7.378 -0.224 75 H CYS 10 HN CYS 10 11.933 2.695 2.311 76 HA CYS 10 HA CYS 10 9.961 1.881 0.538 77 HB2 CYS 10 HB2 CYS 10 9.693 1.784 2.901 78 HB3 CYS 10 HB1 CYS 10 9.886 3.507 3.049 79 HA PRO 11 HA PRO 11 10.043 5.730 -1.781 80 HB2 PRO 11 HB2 PRO 11 7.967 5.097 -3.496 81 HB3 PRO 11 HB1 PRO 11 9.661 4.654 -3.738 82 HG2 PRO 11 HG2 PRO 11 7.406 3.007 -2.674 83 HG3 PRO 11 HG1 PRO 11 8.757 2.531 -3.715 84 HD2 PRO 11 HD2 PRO 11 8.660 1.972 -1.082 85 HD3 PRO 11 HD1 PRO 11 10.183 2.270 -1.947 86 H LEU 12 HN LEU 12 7.512 4.525 0.084 87 HA LEU 12 HA LEU 12 5.763 6.790 -0.436 88 HB2 LEU 12 HB2 LEU 12 5.224 4.609 1.563 89 HB3 LEU 12 HB1 LEU 12 4.080 5.732 0.868 90 HG LEU 12 HG LEU 12 3.538 3.845 -0.192 91 HD11 LEU 12 HD11 LEU 12 5.643 4.886 -2.065 92 HD12 LEU 12 HD12 LEU 12 4.019 5.520 -1.906 93 HD13 LEU 12 HD13 LEU 12 4.270 3.874 -2.516 94 HD21 LEU 12 HD21 LEU 12 6.424 3.008 -0.393 95 HD22 LEU 12 HD22 LEU 12 5.013 2.106 -0.983 96 HD23 LEU 12 HD23 LEU 12 5.204 2.405 0.740 97 H CYS 13 HN CYS 13 7.666 5.498 2.292 98 HA CYS 13 HA CYS 13 7.103 8.090 3.626 99 HB2 CYS 13 HB2 CYS 13 7.117 7.068 5.772 100 HB3 CYS 13 HB1 CYS 13 6.099 6.089 4.719 101 H GLU 14 HN GLU 14 9.408 6.066 2.415 102 HA GLU 14 HA GLU 14 11.465 5.699 2.508 103 HB2 GLU 14 HB2 GLU 14 11.638 8.658 2.840 104 HB3 GLU 14 HB1 GLU 14 13.088 7.660 2.766 105 HG2 GLU 14 HG2 GLU 14 12.059 6.685 0.625 106 HG3 GLU 14 HG1 GLU 14 11.003 8.094 0.678 107 H LEU 15 HN LEU 15 11.216 4.313 4.030 108 HA LEU 15 HA LEU 15 12.741 4.942 6.434 109 HB2 LEU 15 HB2 LEU 15 10.514 3.636 6.544 110 HB3 LEU 15 HB1 LEU 15 11.352 2.348 5.700 111 HG LEU 15 HG LEU 15 12.997 2.288 7.595 112 HD11 LEU 15 HD11 LEU 15 12.308 3.289 9.688 113 HD12 LEU 15 HD12 LEU 15 10.954 4.063 8.865 114 HD13 LEU 15 HD13 LEU 15 12.615 4.515 8.454 115 HD21 LEU 15 HD21 LEU 15 10.124 1.783 8.321 116 HD22 LEU 15 HD22 LEU 15 11.552 1.083 9.103 117 HD23 LEU 15 HD23 LEU 15 11.177 0.686 7.423 118 H MET 16 HN MET 16 14.838 4.034 6.504 119 HA MET 16 HA MET 16 15.658 3.015 3.939 120 HB2 MET 16 HB2 MET 16 16.601 5.142 4.750 121 HB3 MET 16 HB1 MET 16 17.252 4.294 6.141 122 HG2 MET 16 HG2 MET 16 18.659 2.994 4.783 123 HG3 MET 16 HG1 MET 16 17.850 3.623 3.335 124 HE1 MET 16 HE1 MET 16 21.073 3.663 3.734 125 HE2 MET 16 HE2 MET 16 21.447 5.264 3.101 126 HE3 MET 16 HE3 MET 16 20.253 4.250 2.288 127 H PHE 17 HN PHE 17 16.404 1.064 3.745 128 HA PHE 17 HA PHE 17 16.851 -0.528 6.165 129 HB2 PHE 17 HB2 PHE 17 16.002 -1.484 3.416 130 HB3 PHE 17 HB1 PHE 17 16.149 -2.462 4.862 131 HD1 PHE 17 HD2 PHE 17 14.600 -1.903 6.829 132 HD2 PHE 17 HD1 PHE 17 13.996 -0.455 2.875 133 HE1 PHE 17 HE2 PHE 17 12.234 -1.471 7.346 134 HE2 PHE 17 HE1 PHE 17 11.632 -0.026 3.387 135 HZ PHE 17 HZ PHE 17 10.749 -0.539 5.620 136 HA PRO 18 HA PRO 18 21.052 -1.104 4.887 137 HB2 PRO 18 HB2 PRO 18 21.627 -3.494 6.004 138 HB3 PRO 18 HB1 PRO 18 21.342 -2.044 6.974 139 HG2 PRO 18 HG2 PRO 18 19.487 -4.304 6.337 140 HG3 PRO 18 HG1 PRO 18 19.765 -3.491 7.889 141 HD2 PRO 18 HD2 PRO 18 17.653 -2.928 6.294 142 HD3 PRO 18 HD1 PRO 18 18.401 -1.721 7.348 143 HA PRO 19 HA PRO 19 21.666 -3.548 1.135 144 HB2 PRO 19 HB2 PRO 19 24.060 -4.788 1.662 145 HB3 PRO 19 HB1 PRO 19 23.906 -3.129 1.082 146 HG2 PRO 19 HG2 PRO 19 24.321 -4.129 3.868 147 HG3 PRO 19 HG1 PRO 19 25.070 -2.743 3.059 148 HD2 PRO 19 HD2 PRO 19 23.101 -2.385 4.802 149 HD3 PRO 19 HD1 PRO 19 23.178 -1.415 3.321 150 H ASN 20 HN ASN 20 21.835 -5.208 4.168 151 HA ASN 20 HA ASN 20 21.598 -7.620 2.666 152 HB2 ASN 20 HB2 ASN 20 22.154 -7.262 5.602 153 HB3 ASN 20 HB1 ASN 20 21.827 -8.834 4.892 154 HD21 ASN 20 HD21 ASN 20 23.320 -9.690 3.400 155 HD22 ASN 20 HD22 ASN 20 24.947 -9.139 3.308 156 H TYR 21 HN TYR 21 19.328 -5.474 3.496 157 HA TYR 21 HA TYR 21 17.487 -7.234 4.680 158 HB2 TYR 21 HB2 TYR 21 17.606 -4.991 5.265 159 HB3 TYR 21 HB1 TYR 21 17.354 -4.404 3.606 160 HD1 TYR 21 HD1 TYR 21 16.027 -5.806 6.607 161 HD2 TYR 21 HD2 TYR 21 15.124 -4.464 2.766 162 HE1 TYR 21 HE1 TYR 21 13.610 -5.705 7.267 163 HE2 TYR 21 HE2 TYR 21 12.703 -4.339 3.331 164 HH TYR 21 HH TYR 21 11.123 -5.188 4.909 165 H ASP 22 HN ASP 22 15.701 -7.740 3.628 166 HA ASP 22 HA ASP 22 16.227 -8.745 0.930 167 HB2 ASP 22 HB2 ASP 22 15.082 -10.084 2.978 168 HB3 ASP 22 HB1 ASP 22 13.732 -9.202 2.387 169 H GLN 23 HN GLN 23 15.397 -8.109 -0.723 170 HA GLN 23 HA GLN 23 13.989 -5.744 -1.100 171 HB2 GLN 23 HB2 GLN 23 14.532 -8.094 -2.770 172 HB3 GLN 23 HB1 GLN 23 13.507 -6.806 -3.402 173 HG2 GLN 23 HG2 GLN 23 16.415 -6.689 -2.543 174 HG3 GLN 23 HG1 GLN 23 15.786 -6.506 -4.180 175 HE21 GLN 23 HE21 GLN 23 14.797 -4.514 -4.750 176 HE22 GLN 23 HE22 GLN 23 15.029 -3.110 -3.790 177 H SER 24 HN SER 24 12.799 -9.065 -0.909 178 HA SER 24 HA SER 24 10.170 -8.290 -1.635 179 HB2 SER 24 HB2 SER 24 11.094 -10.799 -0.221 180 HB3 SER 24 HB1 SER 24 9.529 -10.580 -1.014 181 HG SER 24 HG SER 24 12.103 -10.760 -2.140 182 H LYS 25 HN LYS 25 11.948 -8.691 1.329 183 HA LYS 25 HA LYS 25 9.770 -8.256 3.121 184 HB2 LYS 25 HB2 LYS 25 12.757 -8.007 3.440 185 HB3 LYS 25 HB1 LYS 25 11.732 -7.679 4.779 186 HG2 LYS 25 HG2 LYS 25 11.854 -10.304 3.315 187 HG3 LYS 25 HG1 LYS 25 12.612 -9.944 4.864 188 HD2 LYS 25 HD2 LYS 25 10.382 -9.503 5.834 189 HD3 LYS 25 HD1 LYS 25 9.641 -9.908 4.290 190 HE2 LYS 25 HE2 LYS 25 11.310 -11.778 5.971 191 HE3 LYS 25 HE1 LYS 25 9.551 -11.770 5.898 192 HZ1 LYS 25 HZ1 LYS 25 10.419 -13.467 4.462 193 HZ2 LYS 25 HZ2 LYS 25 11.426 -12.394 3.685 194 HZ3 LYS 25 HZ3 LYS 25 9.765 -12.269 3.476 195 H PHE 26 HN PHE 26 11.737 -6.231 1.238 196 HA PHE 26 HA PHE 26 11.105 -3.721 2.424 197 HB2 PHE 26 HB2 PHE 26 13.075 -3.847 1.108 198 HB3 PHE 26 HB1 PHE 26 12.244 -4.656 -0.200 199 HD1 PHE 26 HD1 PHE 26 12.381 -1.397 1.576 200 HD2 PHE 26 HD2 PHE 26 11.531 -3.476 -2.032 201 HE1 PHE 26 HE1 PHE 26 12.086 0.738 0.406 202 HE2 PHE 26 HE2 PHE 26 11.228 -1.342 -3.203 203 HZ PHE 26 HZ PHE 26 11.501 0.767 -1.984 204 H GLU 27 HN GLU 27 9.973 -5.529 -0.353 205 HA GLU 27 HA GLU 27 7.950 -3.732 -1.062 206 HB2 GLU 27 HB2 GLU 27 8.187 -6.660 -1.707 207 HB3 GLU 27 HB1 GLU 27 7.057 -5.544 -2.473 208 HG2 GLU 27 HG2 GLU 27 8.999 -4.225 -3.264 209 HG3 GLU 27 HG1 GLU 27 10.059 -5.453 -2.578 210 H GLU 28 HN GLU 28 7.941 -6.450 1.175 211 HA GLU 28 HA GLU 28 5.127 -6.368 1.863 212 HB2 GLU 28 HB2 GLU 28 7.461 -6.940 3.707 213 HB3 GLU 28 HB1 GLU 28 5.775 -7.264 4.040 214 HG2 GLU 28 HG2 GLU 28 7.474 -8.644 1.966 215 HG3 GLU 28 HG1 GLU 28 6.989 -9.302 3.523 216 H HIS 29 HN HIS 29 7.706 -4.299 2.712 217 HA HIS 29 HA HIS 29 5.915 -3.108 4.456 218 HB2 HIS 29 HB2 HIS 29 8.187 -2.961 5.175 219 HB3 HIS 29 HB1 HIS 29 8.709 -2.330 3.631 220 HD1 HIS 29 HD1 HIS 29 7.955 -1.280 7.036 221 HD2 HIS 29 HD2 HIS 29 7.877 0.413 3.296 222 HE1 HIS 29 HE1 HIS 29 8.263 1.222 7.415 223 H VAL 30 HN VAL 30 7.037 -2.515 1.229 224 HA VAL 30 HA VAL 30 5.681 0.011 0.685 225 HB VAL 30 HB VAL 30 6.181 -2.296 -1.244 226 HG11 VAL 30 HG11 VAL 30 5.983 0.655 -1.796 227 HG12 VAL 30 HG12 VAL 30 4.653 -0.483 -2.004 228 HG13 VAL 30 HG13 VAL 30 6.111 -0.642 -2.987 229 HG21 VAL 30 HG21 VAL 30 8.281 -1.184 -1.860 230 HG22 VAL 30 HG22 VAL 30 8.288 -1.708 -0.173 231 HG23 VAL 30 HG23 VAL 30 8.027 -0.014 -0.566 232 H GLU 31 HN GLU 31 4.599 -3.302 0.304 233 HA GLU 31 HA GLU 31 2.016 -2.453 -0.446 234 HB2 GLU 31 HB2 GLU 31 3.023 -5.121 0.512 235 HB3 GLU 31 HB1 GLU 31 1.397 -4.839 -0.099 236 HG2 GLU 31 HG2 GLU 31 2.297 -4.133 -2.239 237 HG3 GLU 31 HG1 GLU 31 3.934 -4.367 -1.630 238 H SER 32 HN SER 32 3.499 -2.610 2.605 239 HA SER 32 HA SER 32 1.059 -2.803 4.083 240 HB2 SER 32 HB2 SER 32 3.832 -1.910 4.880 241 HB3 SER 32 HB1 SER 32 2.476 -1.961 6.007 242 HG SER 32 HG SER 32 3.635 -4.129 4.576 243 H HIS 33 HN HIS 33 2.824 -0.268 2.515 244 HA HIS 33 HA HIS 33 1.277 1.792 3.740 245 HB2 HIS 33 HB2 HIS 33 3.158 1.732 1.446 246 HB3 HIS 33 HB1 HIS 33 2.167 3.157 1.780 247 HD1 HIS 33 HD1 HIS 33 3.210 4.750 3.500 248 HD2 HIS 33 HD2 HIS 33 4.657 0.880 3.830 249 HE1 HIS 33 HE1 HIS 33 4.924 4.777 5.366 250 H TRP 34 HN TRP 34 0.862 -0.224 0.885 251 HA TRP 34 HA TRP 34 -1.188 1.243 -0.272 252 HB2 TRP 34 HB2 TRP 34 -0.165 -1.588 -0.326 253 HB3 TRP 34 HB1 TRP 34 -1.353 -0.893 -1.488 254 HD1 TRP 34 HD1 TRP 34 1.604 1.350 -0.804 255 HE1 TRP 34 HE1 TRP 34 3.169 1.015 -2.616 256 HE3 TRP 34 HE3 TRP 34 -0.381 -2.658 -2.583 257 HZ2 TRP 34 HZ2 TRP 34 3.673 -0.848 -4.754 258 HZ3 TRP 34 HZ3 TRP 34 0.672 -3.879 -4.648 259 HH2 TRP 34 HH2 TRP 34 2.685 -2.924 -5.657 260 H LYS 35 HN LYS 35 -3.100 1.364 0.420 261 HA LYS 35 HA LYS 35 -3.949 0.022 2.818 262 HB2 LYS 35 HB2 LYS 35 -5.401 2.147 1.232 263 HB3 LYS 35 HB1 LYS 35 -5.776 1.615 2.860 264 HG2 LYS 35 HG2 LYS 35 -3.276 3.087 2.028 265 HG3 LYS 35 HG1 LYS 35 -4.668 3.803 2.837 266 HD2 LYS 35 HD2 LYS 35 -4.271 2.350 4.784 267 HD3 LYS 35 HD1 LYS 35 -2.882 1.639 3.967 268 HE2 LYS 35 HE2 LYS 35 -2.145 3.338 5.558 269 HE3 LYS 35 HE1 LYS 35 -1.788 3.841 3.908 270 HZ1 LYS 35 HZ1 LYS 35 -3.734 5.267 3.956 271 HZ2 LYS 35 HZ2 LYS 35 -2.725 5.687 5.204 272 HZ3 LYS 35 HZ3 LYS 35 -4.106 4.785 5.520 273 H VAL 36 HN VAL 36 -4.887 -1.551 2.850 274 HA VAL 36 HA VAL 36 -6.106 -2.742 0.464 275 HB VAL 36 HB VAL 36 -4.345 -3.973 1.671 276 HG11 VAL 36 HG11 VAL 36 -4.674 -3.299 3.870 277 HG12 VAL 36 HG12 VAL 36 -4.806 -5.062 3.807 278 HG13 VAL 36 HG13 VAL 36 -6.260 -4.061 3.941 279 HG21 VAL 36 HG21 VAL 36 -5.936 -5.259 0.336 280 HG22 VAL 36 HG22 VAL 36 -7.029 -5.363 1.718 281 HG23 VAL 36 HG23 VAL 36 -5.458 -6.170 1.770 282 H CYS 37 HN CYS 37 -8.166 -3.288 0.212 283 HA CYS 37 HA CYS 37 -10.103 -2.646 2.264 284 HB2 CYS 37 HB2 CYS 37 -10.422 -2.105 -0.244 285 HB3 CYS 37 HB1 CYS 37 -10.321 -3.802 -0.485 286 HA PRO 38 HA PRO 38 -9.244 -6.922 3.478 287 HB2 PRO 38 HB2 PRO 38 -11.854 -6.763 4.846 288 HB3 PRO 38 HB1 PRO 38 -10.265 -7.115 5.525 289 HG2 PRO 38 HG2 PRO 38 -11.561 -4.764 5.909 290 HG3 PRO 38 HG1 PRO 38 -9.797 -4.893 5.894 291 HD2 PRO 38 HD2 PRO 38 -11.639 -3.819 3.801 292 HD3 PRO 38 HD1 PRO 38 -9.953 -3.375 4.194 293 H MET 39 HN MET 39 -12.526 -5.965 2.712 294 HA MET 39 HA MET 39 -13.396 -8.537 1.916 295 HB2 MET 39 HB2 MET 39 -14.625 -5.830 1.512 296 HB3 MET 39 HB1 MET 39 -15.414 -7.325 1.072 297 HG2 MET 39 HG2 MET 39 -16.288 -6.591 3.199 298 HG3 MET 39 HG1 MET 39 -15.355 -8.061 3.435 299 HE1 MET 39 HE1 MET 39 -15.483 -4.164 3.988 300 HE2 MET 39 HE2 MET 39 -14.043 -4.334 2.981 301 HE3 MET 39 HE3 MET 39 -13.891 -3.840 4.668 302 H CYS 40 HN CYS 40 -11.614 -6.144 0.180 303 HA CYS 40 HA CYS 40 -12.396 -7.430 -2.345 304 HB2 CYS 40 HB2 CYS 40 -11.438 -4.804 -1.557 305 HB3 CYS 40 HB1 CYS 40 -10.957 -5.347 -3.195 306 H SER 41 HN SER 41 -9.941 -7.049 -0.034 307 HA SER 41 HA SER 41 -7.882 -7.554 0.226 308 HB2 SER 41 HB2 SER 41 -7.004 -9.656 -0.801 309 HB3 SER 41 HB1 SER 41 -8.530 -9.865 0.034 310 HG SER 41 HG SER 41 -9.220 -9.350 -2.403 311 H GLU 42 HN GLU 42 -8.503 -5.440 -1.745 312 HA GLU 42 HA GLU 42 -6.168 -5.613 -3.320 313 HB2 GLU 42 HB2 GLU 42 -8.833 -4.327 -3.730 314 HB3 GLU 42 HB1 GLU 42 -7.387 -3.826 -4.590 315 HG2 GLU 42 HG2 GLU 42 -7.137 -6.148 -5.371 316 HG3 GLU 42 HG1 GLU 42 -8.702 -6.528 -4.646 317 H GLN 43 HN GLN 43 -5.042 -4.254 -3.226 318 HA GLN 43 HA GLN 43 -4.860 -2.363 -0.926 319 HB2 GLN 43 HB2 GLN 43 -2.893 -3.593 -2.786 320 HB3 GLN 43 HB1 GLN 43 -2.455 -2.570 -1.389 321 HG2 GLN 43 HG2 GLN 43 -3.561 -4.271 0.032 322 HG3 GLN 43 HG1 GLN 43 -3.832 -5.235 -1.403 323 HE21 GLN 43 HE21 GLN 43 -1.450 -4.039 0.813 324 HE22 GLN 43 HE22 GLN 43 -0.225 -5.141 0.343 325 H PHE 44 HN PHE 44 -5.027 -0.388 -1.290 326 HA PHE 44 HA PHE 44 -4.974 0.658 -3.985 327 HB2 PHE 44 HB2 PHE 44 -6.080 1.637 -1.383 328 HB3 PHE 44 HB1 PHE 44 -5.960 2.673 -2.800 329 HD1 PHE 44 HD1 PHE 44 -7.444 -0.475 -1.496 330 HD2 PHE 44 HD2 PHE 44 -7.646 2.518 -4.512 331 HE1 PHE 44 HE1 PHE 44 -9.561 -1.426 -2.294 332 HE2 PHE 44 HE2 PHE 44 -9.753 1.567 -5.313 333 HZ PHE 44 HZ PHE 44 -10.719 -0.406 -4.209 334 HA PRO 45 HA PRO 45 -1.066 2.493 -3.499 335 HB2 PRO 45 HB2 PRO 45 -1.430 4.772 -4.981 336 HB3 PRO 45 HB1 PRO 45 -1.197 3.181 -5.704 337 HG2 PRO 45 HG2 PRO 45 -3.749 4.661 -5.180 338 HG3 PRO 45 HG1 PRO 45 -3.278 3.767 -6.630 339 HD2 PRO 45 HD2 PRO 45 -4.910 2.705 -4.842 340 HD3 PRO 45 HD1 PRO 45 -3.678 1.708 -5.639 341 HA PRO 46 HA PRO 46 -1.238 5.582 -0.220 342 HB2 PRO 46 HB2 PRO 46 1.172 6.681 -1.602 343 HB3 PRO 46 HB1 PRO 46 0.963 6.239 0.099 344 HG2 PRO 46 HG2 PRO 46 2.316 4.646 -1.470 345 HG3 PRO 46 HG1 PRO 46 1.120 3.945 -0.356 346 HD2 PRO 46 HD2 PRO 46 0.911 4.485 -3.293 347 HD3 PRO 46 HD1 PRO 46 0.453 3.036 -2.366 348 H ASP 47 HN ASP 47 -0.910 6.346 -3.580 349 HA ASP 47 HA ASP 47 -1.403 9.159 -3.481 350 HB2 ASP 47 HB2 ASP 47 -1.546 7.235 -5.808 351 HB3 ASP 47 HB1 ASP 47 -1.648 8.985 -5.940 352 H TYR 48 HN TYR 48 -3.489 6.605 -2.881 353 HA TYR 48 HA TYR 48 -5.718 7.616 -4.282 354 HB2 TYR 48 HB2 TYR 48 -4.993 5.129 -3.542 355 HB3 TYR 48 HB1 TYR 48 -5.843 5.617 -2.085 356 HD1 TYR 48 HD2 TYR 48 -6.200 5.381 -5.735 357 HD2 TYR 48 HD1 TYR 48 -8.177 5.416 -1.987 358 HE1 TYR 48 HE2 TYR 48 -8.267 4.775 -6.853 359 HE2 TYR 48 HE1 TYR 48 -10.291 4.797 -3.089 360 HH TYR 48 HH TYR 48 -10.355 3.749 -6.359 361 H ASP 49 HN ASP 49 -7.447 8.160 -2.972 362 HA ASP 49 HA ASP 49 -6.644 10.101 -0.977 363 HB2 ASP 49 HB2 ASP 49 -8.310 10.528 -2.979 364 HB3 ASP 49 HB1 ASP 49 -9.380 9.599 -1.969 365 H GLN 50 HN GLN 50 -7.029 9.716 1.042 366 HA GLN 50 HA GLN 50 -7.858 7.189 1.921 367 HB2 GLN 50 HB2 GLN 50 -7.897 8.019 4.164 368 HB3 GLN 50 HB1 GLN 50 -6.454 8.581 3.313 369 HG2 GLN 50 HG2 GLN 50 -7.225 10.773 3.280 370 HG3 GLN 50 HG1 GLN 50 -8.896 10.284 3.577 371 HE21 GLN 50 HE21 GLN 50 -9.526 9.675 5.624 372 HE22 GLN 50 HE22 GLN 50 -8.590 10.038 7.010 373 H GLN 51 HN GLN 51 -9.636 10.129 1.470 374 HA GLN 51 HA GLN 51 -11.961 9.193 2.855 375 HB2 GLN 51 HB2 GLN 51 -11.712 11.395 0.816 376 HB3 GLN 51 HB1 GLN 51 -13.151 11.091 1.785 377 HG2 GLN 51 HG2 GLN 51 -11.849 11.553 3.803 378 HG3 GLN 51 HG1 GLN 51 -10.440 11.901 2.805 379 HE21 GLN 51 HE21 GLN 51 -10.303 13.997 3.511 380 HE22 GLN 51 HE22 GLN 51 -11.415 15.226 3.073 381 H VAL 52 HN VAL 52 -10.833 9.116 -0.489 382 HA VAL 52 HA VAL 52 -13.280 8.112 -1.537 383 HB VAL 52 HB VAL 52 -10.428 7.980 -2.616 384 HG11 VAL 52 HG11 VAL 52 -11.801 6.227 -3.645 385 HG12 VAL 52 HG12 VAL 52 -11.358 7.511 -4.768 386 HG13 VAL 52 HG13 VAL 52 -13.002 7.452 -4.109 387 HG21 VAL 52 HG21 VAL 52 -12.721 9.793 -3.312 388 HG22 VAL 52 HG22 VAL 52 -11.124 9.803 -4.058 389 HG23 VAL 52 HG23 VAL 52 -11.311 10.241 -2.361 390 H PHE 53 HN PHE 53 -10.437 6.779 -0.103 391 HA PHE 53 HA PHE 53 -10.972 4.038 -0.607 392 HB2 PHE 53 HB2 PHE 53 -8.698 4.796 -0.114 393 HB3 PHE 53 HB1 PHE 53 -9.212 5.380 1.459 394 HD1 PHE 53 HD1 PHE 53 -8.947 2.298 -0.578 395 HD2 PHE 53 HD2 PHE 53 -9.065 3.999 3.317 396 HE1 PHE 53 HE1 PHE 53 -8.406 0.108 0.394 397 HE2 PHE 53 HE2 PHE 53 -8.526 1.813 4.290 398 HZ PHE 53 HZ PHE 53 -8.198 -0.137 2.825 399 H GLU 54 HN GLU 54 -11.464 6.183 2.219 400 HA GLU 54 HA GLU 54 -12.609 4.311 3.932 401 HB2 GLU 54 HB2 GLU 54 -13.176 7.283 3.727 402 HB3 GLU 54 HB1 GLU 54 -13.795 6.256 4.999 403 HG2 GLU 54 HG2 GLU 54 -10.899 7.033 4.529 404 HG3 GLU 54 HG1 GLU 54 -11.961 7.434 5.851 405 H ARG 55 HN ARG 55 -14.137 6.394 1.532 406 HA ARG 55 HA ARG 55 -16.777 5.535 1.987 407 HB2 ARG 55 HB2 ARG 55 -15.383 6.811 -0.298 408 HB3 ARG 55 HB1 ARG 55 -16.930 6.058 -0.648 409 HG2 ARG 55 HG2 ARG 55 -17.155 8.463 -0.237 410 HG3 ARG 55 HG1 ARG 55 -18.021 7.524 0.975 411 HD2 ARG 55 HD2 ARG 55 -16.263 7.892 2.568 412 HD3 ARG 55 HD1 ARG 55 -15.269 8.689 1.354 413 HE ARG 55 HE ARG 55 -17.608 10.087 1.414 414 HH11 ARG 55 HH11 ARG 55 -15.319 9.200 3.926 415 HH12 ARG 55 HH12 ARG 55 -15.310 10.713 4.705 416 HH21 ARG 55 HH21 ARG 55 -17.669 12.192 2.491 417 HH22 ARG 55 HH22 ARG 55 -16.719 12.456 3.870 418 H HIS 56 HN HIS 56 -14.323 4.278 -0.206 419 HA HIS 56 HA HIS 56 -15.867 2.283 -1.389 420 HB2 HIS 56 HB2 HIS 56 -13.734 2.872 -2.342 421 HB3 HIS 56 HB1 HIS 56 -12.892 2.445 -0.862 422 HD1 HIS 56 HD1 HIS 56 -14.718 0.765 -3.761 423 HD2 HIS 56 HD2 HIS 56 -12.013 -0.107 -0.730 424 HE1 HIS 56 HE1 HIS 56 -13.945 -1.625 -4.151 425 H VAL 57 HN VAL 57 -13.858 2.165 1.505 426 HA VAL 57 HA VAL 57 -14.271 -0.636 1.933 427 HB VAL 57 HB VAL 57 -13.272 1.521 3.785 428 HG11 VAL 57 HG11 VAL 57 -12.354 -0.343 5.121 429 HG12 VAL 57 HG12 VAL 57 -13.211 -1.496 4.086 430 HG13 VAL 57 HG13 VAL 57 -14.117 -0.345 5.081 431 HG21 VAL 57 HG21 VAL 57 -11.866 1.177 1.851 432 HG22 VAL 57 HG22 VAL 57 -11.838 -0.555 2.157 433 HG23 VAL 57 HG23 VAL 57 -11.067 0.552 3.295 434 H GLN 58 HN GLN 58 -15.656 2.315 3.223 435 HA GLN 58 HA GLN 58 -17.315 1.209 5.113 436 HB2 GLN 58 HB2 GLN 58 -17.464 3.686 3.488 437 HB3 GLN 58 HB1 GLN 58 -18.831 3.276 4.522 438 HG2 GLN 58 HG2 GLN 58 -16.003 3.547 5.532 439 HG3 GLN 58 HG1 GLN 58 -17.102 4.915 5.422 440 HE21 GLN 58 HE21 GLN 58 -18.172 1.678 6.397 441 HE22 GLN 58 HE22 GLN 58 -18.515 2.118 8.022 442 H THR 59 HN THR 59 -17.902 1.602 1.668 443 HA THR 59 HA THR 59 -20.622 0.875 1.789 444 HB THR 59 HB THR 59 -20.538 0.379 -0.621 445 HG1 THR 59 HG1 THR 59 -17.707 0.630 -0.274 446 HG21 THR 59 HG21 THR 59 -20.825 2.677 0.087 447 HG22 THR 59 HG22 THR 59 -19.863 2.605 -1.392 448 HG23 THR 59 HG23 THR 59 -19.075 2.888 0.162 449 H HIS 60 HN HIS 60 -17.826 -1.102 1.943 450 HA HIS 60 HA HIS 60 -19.171 -3.531 1.204 451 HB2 HIS 60 HB2 HIS 60 -16.551 -3.036 2.639 452 HB3 HIS 60 HB1 HIS 60 -17.133 -4.647 2.232 453 HD1 HIS 60 HD1 HIS 60 -16.280 -5.513 0.025 454 HD2 HIS 60 HD2 HIS 60 -16.228 -1.376 0.204 455 HE1 HIS 60 HE1 HIS 60 -14.865 -4.690 -1.977 456 H PHE 61 HN PHE 61 -18.900 -1.617 3.999 457 HA PHE 61 HA PHE 61 -19.967 -3.711 5.778 458 HB2 PHE 61 HB2 PHE 61 -18.749 -1.014 6.269 459 HB3 PHE 61 HB1 PHE 61 -19.520 -1.886 7.562 460 HD1 PHE 61 HD1 PHE 61 -18.574 -4.443 7.708 461 HD2 PHE 61 HD2 PHE 61 -16.498 -1.076 6.145 462 HE1 PHE 61 HE1 PHE 61 -16.428 -5.542 8.202 463 HE2 PHE 61 HE2 PHE 61 -14.356 -2.164 6.633 464 HZ PHE 61 HZ PHE 61 -14.315 -4.400 7.661 465 H ASP 62 HN ASP 62 -20.661 -0.667 4.284 466 HA ASP 62 HA ASP 62 -23.096 -0.161 5.825 467 HB2 ASP 62 HB2 ASP 62 -21.103 1.534 5.386 468 HB3 ASP 62 HB1 ASP 62 -21.924 1.604 3.813 469 H GLN 63 HN GLN 63 -22.552 -2.007 3.548 470 HA GLN 63 HA GLN 63 -23.430 -1.366 1.052 471 HB2 GLN 63 HB2 GLN 63 -23.955 -3.716 0.714 472 HB3 GLN 63 HB1 GLN 63 -22.449 -3.478 1.585 473 HG2 GLN 63 HG2 GLN 63 -23.530 -4.045 3.669 474 HG3 GLN 63 HG1 GLN 63 -25.080 -4.191 2.849 475 HE21 GLN 63 HE21 GLN 63 -22.059 -5.348 1.435 476 HE22 GLN 63 HE22 GLN 63 -22.441 -7.010 1.594 477 H ASN 64 HN ASN 64 -25.388 -0.296 3.096 478 HA ASN 64 HA ASN 64 -27.961 -1.297 2.147 479 HB2 ASN 64 HB2 ASN 64 -27.237 1.070 3.894 480 HB3 ASN 64 HB1 ASN 64 -28.867 0.843 3.285 481 HD21 ASN 64 HD21 ASN 64 -26.522 -0.133 5.601 482 HD22 ASN 64 HD22 ASN 64 -27.544 -1.218 6.464 483 H VAL 65 HN VAL 65 -25.533 0.643 1.074 484 HA VAL 65 HA VAL 65 -27.035 2.462 -0.506 485 HB VAL 65 HB VAL 65 -24.899 2.968 -1.675 486 HG11 VAL 65 HG11 VAL 65 -24.618 2.793 1.321 487 HG12 VAL 65 HG12 VAL 65 -25.377 4.105 0.420 488 HG13 VAL 65 HG13 VAL 65 -23.646 3.810 0.258 489 HG21 VAL 65 HG21 VAL 65 -22.817 1.848 -0.984 490 HG22 VAL 65 HG22 VAL 65 -23.953 0.707 -1.705 491 HG23 VAL 65 HG23 VAL 65 -23.752 0.759 0.042 492 H LEU 66 HN LEU 66 -26.489 -0.676 -0.673 493 HA LEU 66 HA LEU 66 -26.592 -1.024 -3.555 494 HB2 LEU 66 HB2 LEU 66 -26.995 -3.103 -1.394 495 HB3 LEU 66 HB1 LEU 66 -26.737 -3.424 -3.095 496 HG LEU 66 HG LEU 66 -24.713 -2.299 -1.153 497 HD11 LEU 66 HD11 LEU 66 -24.875 -4.943 -2.563 498 HD12 LEU 66 HD12 LEU 66 -25.172 -4.664 -0.849 499 HD13 LEU 66 HD13 LEU 66 -23.557 -4.415 -1.517 500 HD21 LEU 66 HD21 LEU 66 -24.404 -2.988 -4.073 501 HD22 LEU 66 HD22 LEU 66 -23.107 -2.498 -2.982 502 HD23 LEU 66 HD23 LEU 66 -24.389 -1.359 -3.393 503 H ASN 67 HN ASN 67 -28.387 -0.163 -4.241 504 HA ASN 67 HA ASN 67 -30.937 -1.281 -4.067 505 HB2 ASN 67 HB2 ASN 67 -30.875 -0.453 -1.700 506 HB3 ASN 67 HB1 ASN 67 -30.600 1.172 -2.300 507 HD21 ASN 67 HD21 ASN 67 -32.343 2.351 -3.108 508 HD22 ASN 67 HD22 ASN 67 -33.960 1.788 -2.978 509 H PHE 68 HN PHE 68 -29.000 1.611 -4.228 510 HA PHE 68 HA PHE 68 -30.803 3.003 -5.963 511 HB2 PHE 68 HB2 PHE 68 -28.023 3.716 -5.027 512 HB3 PHE 68 HB1 PHE 68 -29.119 4.792 -5.885 513 HD1 PHE 68 HD1 PHE 68 -31.122 5.656 -4.769 514 HD2 PHE 68 HD2 PHE 68 -28.292 3.244 -2.709 515 HE1 PHE 68 HE1 PHE 68 -32.077 6.372 -2.618 516 HE2 PHE 68 HE2 PHE 68 -29.237 3.953 -0.564 517 HZ PHE 68 HZ PHE 68 -31.130 5.513 -0.510 518 H ASP 69 HN ASP 69 -30.920 2.125 -7.913 519 HA ASP 69 HA ASP 69 -28.441 1.600 -9.386 520 HB2 ASP 69 HB2 ASP 69 -30.105 -0.246 -9.370 521 HB3 ASP 69 HB1 ASP 69 -31.289 0.848 -10.086 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 26.898 0.606 0.775 2 H2 GLY 1 HT2 GLY 1 25.279 0.549 1.151 3 H3 GLY 1 HT3 GLY 1 26.320 -0.679 1.704 4 HA2 GLY 1 HA1 GLY 1 25.814 0.852 3.500 5 HA3 GLY 1 HA2 GLY 1 27.506 0.991 3.027 6 HA PRO 2 HA PRO 2 26.060 5.321 2.710 7 HB2 PRO 2 HB2 PRO 2 28.957 5.872 2.599 8 HB3 PRO 2 HB1 PRO 2 27.752 6.501 3.726 9 HG2 PRO 2 HG2 PRO 2 29.603 4.733 4.507 10 HG3 PRO 2 HG1 PRO 2 27.959 4.702 5.163 11 HD2 PRO 2 HD2 PRO 2 29.185 2.963 3.051 12 HD3 PRO 2 HD1 PRO 2 28.108 2.520 4.398 13 H HIS 3 HN HIS 3 28.143 3.363 0.880 14 HA HIS 3 HA HIS 3 27.655 4.939 -1.537 15 HB2 HIS 3 HB2 HIS 3 30.215 3.442 -0.896 16 HB3 HIS 3 HB1 HIS 3 29.884 4.335 -2.367 17 HD1 HIS 3 HD1 HIS 3 31.444 4.659 0.903 18 HD2 HIS 3 HD2 HIS 3 29.706 7.222 -1.867 19 HE1 HIS 3 HE1 HIS 3 32.234 6.950 1.498 20 H MET 4 HN MET 4 28.196 3.398 -3.426 21 HA MET 4 HA MET 4 27.818 1.548 -4.653 22 HB2 MET 4 HB2 MET 4 28.191 0.055 -2.072 23 HB3 MET 4 HB1 MET 4 28.056 -0.706 -3.650 24 HG2 MET 4 HG2 MET 4 30.240 1.236 -2.916 25 HG3 MET 4 HG1 MET 4 30.374 -0.490 -2.638 26 HE1 MET 4 HE1 MET 4 30.597 1.613 -6.770 27 HE2 MET 4 HE2 MET 4 30.203 2.424 -5.246 28 HE3 MET 4 HE3 MET 4 28.998 1.443 -6.090 29 H ASP 5 HN ASP 5 26.276 0.457 -1.938 30 HA ASP 5 HA ASP 5 23.732 0.823 -3.357 31 HB2 ASP 5 HB2 ASP 5 24.234 -1.540 -3.614 32 HB3 ASP 5 HB1 ASP 5 24.420 -1.711 -1.874 33 H VAL 6 HN VAL 6 22.448 1.906 -2.408 34 HA VAL 6 HA VAL 6 21.639 1.671 0.317 35 HB VAL 6 HB VAL 6 23.675 3.173 0.419 36 HG11 VAL 6 HG11 VAL 6 23.633 4.231 -1.692 37 HG12 VAL 6 HG12 VAL 6 23.521 5.486 -0.455 38 HG13 VAL 6 HG13 VAL 6 22.082 4.986 -1.347 39 HG21 VAL 6 HG21 VAL 6 22.643 4.996 1.746 40 HG22 VAL 6 HG22 VAL 6 22.004 3.403 2.149 41 HG23 VAL 6 HG23 VAL 6 21.060 4.501 1.142 42 H HIS 7 HN HIS 7 20.796 1.153 -2.278 43 HA HIS 7 HA HIS 7 18.887 3.277 -2.602 44 HB2 HIS 7 HB2 HIS 7 19.761 1.213 -4.619 45 HB3 HIS 7 HB1 HIS 7 18.464 2.367 -4.903 46 HD1 HIS 7 HD1 HIS 7 19.192 4.634 -5.833 47 HD2 HIS 7 HD2 HIS 7 22.346 2.436 -4.257 48 HE1 HIS 7 HE1 HIS 7 21.284 5.946 -6.335 49 H LYS 8 HN LYS 8 19.057 0.672 -1.024 50 HA LYS 8 HA LYS 8 16.607 -0.689 -1.759 51 HB2 LYS 8 HB2 LYS 8 18.361 -1.036 0.703 52 HB3 LYS 8 HB1 LYS 8 17.086 -2.129 0.186 53 HG2 LYS 8 HG2 LYS 8 19.598 -1.558 -1.399 54 HG3 LYS 8 HG1 LYS 8 19.370 -2.938 -0.324 55 HD2 LYS 8 HD2 LYS 8 17.457 -2.412 -2.576 56 HD3 LYS 8 HD1 LYS 8 18.969 -3.268 -2.856 57 HE2 LYS 8 HE2 LYS 8 16.939 -4.085 -0.778 58 HE3 LYS 8 HE1 LYS 8 16.973 -4.726 -2.417 59 HZ1 LYS 8 HZ1 LYS 8 19.150 -5.616 -2.034 60 HZ2 LYS 8 HZ2 LYS 8 18.152 -6.189 -0.833 61 HZ3 LYS 8 HZ3 LYS 8 19.263 -4.953 -0.507 62 H LYS 9 HN LYS 9 15.229 1.115 -1.623 63 HA LYS 9 HA LYS 9 14.516 1.934 1.107 64 HB2 LYS 9 HB2 LYS 9 14.542 3.655 -1.356 65 HB3 LYS 9 HB1 LYS 9 14.027 4.129 0.244 66 HG2 LYS 9 HG2 LYS 9 16.269 3.961 1.081 67 HG3 LYS 9 HG1 LYS 9 16.831 3.318 -0.464 68 HD2 LYS 9 HD2 LYS 9 16.189 5.300 -1.589 69 HD3 LYS 9 HD1 LYS 9 15.520 5.994 -0.108 70 HE2 LYS 9 HE2 LYS 9 17.788 5.961 0.884 71 HE3 LYS 9 HE1 LYS 9 18.422 5.321 -0.633 72 HZ1 LYS 9 HZ1 LYS 9 18.752 7.712 -0.539 73 HZ2 LYS 9 HZ2 LYS 9 17.107 7.963 -0.281 74 HZ3 LYS 9 HZ3 LYS 9 17.646 7.332 -1.736 75 H CYS 10 HN CYS 10 12.350 2.045 1.436 76 HA CYS 10 HA CYS 10 10.361 0.968 -0.224 77 HB2 CYS 10 HB2 CYS 10 10.363 3.115 1.824 78 HB3 CYS 10 HB1 CYS 10 8.882 2.670 0.993 79 HA PRO 11 HA PRO 11 10.576 4.429 -3.176 80 HB2 PRO 11 HB2 PRO 11 8.641 3.510 -4.893 81 HB3 PRO 11 HB1 PRO 11 10.316 2.953 -4.943 82 HG2 PRO 11 HG2 PRO 11 7.904 1.640 -3.789 83 HG3 PRO 11 HG1 PRO 11 9.289 0.916 -4.616 84 HD2 PRO 11 HD2 PRO 11 8.960 0.885 -1.902 85 HD3 PRO 11 HD1 PRO 11 10.540 0.825 -2.701 86 H LEU 12 HN LEU 12 7.952 3.248 -1.365 87 HA LEU 12 HA LEU 12 6.334 5.616 -2.004 88 HB2 LEU 12 HB2 LEU 12 5.251 3.300 -0.497 89 HB3 LEU 12 HB1 LEU 12 4.423 4.393 -1.585 90 HG LEU 12 HG LEU 12 6.334 2.212 -2.430 91 HD11 LEU 12 HD11 LEU 12 3.338 2.240 -2.526 92 HD12 LEU 12 HD12 LEU 12 4.371 1.253 -1.492 93 HD13 LEU 12 HD13 LEU 12 4.393 1.016 -3.235 94 HD21 LEU 12 HD21 LEU 12 4.531 3.968 -4.094 95 HD22 LEU 12 HD22 LEU 12 5.460 2.567 -4.662 96 HD23 LEU 12 HD23 LEU 12 6.303 3.993 -4.045 97 H CYS 13 HN CYS 13 8.329 4.422 0.439 98 HA CYS 13 HA CYS 13 6.993 6.118 2.511 99 HB2 CYS 13 HB2 CYS 13 8.869 3.783 3.076 100 HB3 CYS 13 HB1 CYS 13 8.259 4.879 4.282 101 H GLU 14 HN GLU 14 9.941 5.613 0.667 102 HA GLU 14 HA GLU 14 11.981 6.381 0.670 103 HB2 GLU 14 HB2 GLU 14 10.812 8.616 2.349 104 HB3 GLU 14 HB1 GLU 14 12.464 8.615 1.752 105 HG2 GLU 14 HG2 GLU 14 9.978 8.581 0.058 106 HG3 GLU 14 HG1 GLU 14 11.013 9.972 0.351 107 H LEU 15 HN LEU 15 10.915 4.683 2.762 108 HA LEU 15 HA LEU 15 12.644 4.966 5.084 109 HB2 LEU 15 HB2 LEU 15 10.316 4.103 5.279 110 HB3 LEU 15 HB1 LEU 15 10.715 2.797 4.199 111 HG LEU 15 HG LEU 15 12.054 3.055 6.903 112 HD11 LEU 15 HD11 LEU 15 10.341 1.464 7.681 113 HD12 LEU 15 HD12 LEU 15 9.449 1.732 6.171 114 HD13 LEU 15 HD13 LEU 15 9.697 3.057 7.303 115 HD21 LEU 15 HD21 LEU 15 11.446 0.685 5.135 116 HD22 LEU 15 HD22 LEU 15 12.324 0.645 6.663 117 HD23 LEU 15 HD23 LEU 15 13.023 1.468 5.263 118 H MET 16 HN MET 16 14.379 3.873 5.435 119 HA MET 16 HA MET 16 15.612 2.780 3.017 120 HB2 MET 16 HB2 MET 16 16.755 3.924 5.508 121 HB3 MET 16 HB1 MET 16 17.764 3.265 4.205 122 HG2 MET 16 HG2 MET 16 16.684 5.009 2.721 123 HG3 MET 16 HG1 MET 16 15.949 5.670 4.177 124 HE1 MET 16 HE1 MET 16 19.172 6.696 6.224 125 HE2 MET 16 HE2 MET 16 18.368 5.132 6.277 126 HE3 MET 16 HE3 MET 16 17.413 6.616 6.247 127 H PHE 17 HN PHE 17 16.562 0.836 2.922 128 HA PHE 17 HA PHE 17 16.416 -0.923 5.264 129 HB2 PHE 17 HB2 PHE 17 16.160 -1.576 2.312 130 HB3 PHE 17 HB1 PHE 17 16.184 -2.763 3.602 131 HD1 PHE 17 HD2 PHE 17 14.270 -2.869 5.183 132 HD2 PHE 17 HD1 PHE 17 14.205 -0.440 1.701 133 HE1 PHE 17 HE2 PHE 17 11.819 -2.745 5.320 134 HE2 PHE 17 HE1 PHE 17 11.757 -0.313 1.833 135 HZ PHE 17 HZ PHE 17 10.564 -1.469 3.639 136 HA PRO 18 HA PRO 18 20.805 -1.469 4.540 137 HB2 PRO 18 HB2 PRO 18 21.123 -4.136 5.098 138 HB3 PRO 18 HB1 PRO 18 20.940 -2.910 6.354 139 HG2 PRO 18 HG2 PRO 18 18.906 -4.773 5.213 140 HG3 PRO 18 HG1 PRO 18 19.161 -4.291 6.895 141 HD2 PRO 18 HD2 PRO 18 17.200 -3.221 5.391 142 HD3 PRO 18 HD1 PRO 18 18.056 -2.286 6.632 143 HA PRO 19 HA PRO 19 21.314 -2.981 0.277 144 HB2 PRO 19 HB2 PRO 19 23.897 -4.025 1.281 145 HB3 PRO 19 HB1 PRO 19 23.591 -2.949 -0.088 146 HG2 PRO 19 HG2 PRO 19 24.662 -2.000 2.140 147 HG3 PRO 19 HG1 PRO 19 23.427 -1.069 1.273 148 HD2 PRO 19 HD2 PRO 19 23.178 -2.683 3.774 149 HD3 PRO 19 HD1 PRO 19 22.426 -1.131 3.336 150 H ASN 20 HN ASN 20 21.819 -4.999 2.969 151 HA ASN 20 HA ASN 20 21.962 -7.240 1.254 152 HB2 ASN 20 HB2 ASN 20 22.087 -7.090 4.257 153 HB3 ASN 20 HB1 ASN 20 22.227 -8.598 3.368 154 HD21 ASN 20 HD21 ASN 20 24.107 -7.262 5.138 155 HD22 ASN 20 HD22 ASN 20 25.547 -7.020 4.229 156 H TYR 21 HN TYR 21 19.362 -5.510 2.402 157 HA TYR 21 HA TYR 21 17.728 -7.320 3.626 158 HB2 TYR 21 HB2 TYR 21 17.604 -4.953 3.628 159 HB3 TYR 21 HB1 TYR 21 16.938 -4.931 1.979 160 HD1 TYR 21 HD2 TYR 21 16.563 -5.924 5.397 161 HD2 TYR 21 HD1 TYR 21 14.601 -5.378 1.739 162 HE1 TYR 21 HE2 TYR 21 14.378 -6.181 6.574 163 HE2 TYR 21 HE1 TYR 21 12.390 -5.617 2.841 164 HH TYR 21 HH TYR 21 12.107 -5.455 6.184 165 H ASP 22 HN ASP 22 16.211 -8.369 3.036 166 HA ASP 22 HA ASP 22 16.213 -9.936 0.620 167 HB2 ASP 22 HB2 ASP 22 14.315 -9.820 2.947 168 HB3 ASP 22 HB1 ASP 22 13.977 -10.824 1.555 169 H GLN 23 HN GLN 23 15.495 -9.389 -1.117 170 HA GLN 23 HA GLN 23 13.907 -7.160 -1.722 171 HB2 GLN 23 HB2 GLN 23 14.622 -9.619 -3.159 172 HB3 GLN 23 HB1 GLN 23 13.563 -8.431 -3.899 173 HG2 GLN 23 HG2 GLN 23 16.458 -8.142 -3.022 174 HG3 GLN 23 HG1 GLN 23 15.876 -8.162 -4.680 175 HE21 GLN 23 HE21 GLN 23 16.769 -6.188 -5.202 176 HE22 GLN 23 HE22 GLN 23 16.181 -4.709 -4.561 177 H SER 24 HN SER 24 13.161 -10.485 -1.132 178 HA SER 24 HA SER 24 10.535 -10.447 -2.031 179 HB2 SER 24 HB2 SER 24 10.393 -12.445 -0.403 180 HB3 SER 24 HB1 SER 24 11.554 -12.536 -1.737 181 HG SER 24 HG SER 24 12.534 -13.109 0.194 182 H LYS 25 HN LYS 25 11.978 -10.052 1.161 183 HA LYS 25 HA LYS 25 9.611 -9.462 2.595 184 HB2 LYS 25 HB2 LYS 25 12.499 -8.892 3.124 185 HB3 LYS 25 HB1 LYS 25 11.252 -8.492 4.307 186 HG2 LYS 25 HG2 LYS 25 11.904 -11.247 3.245 187 HG3 LYS 25 HG1 LYS 25 12.337 -10.623 4.839 188 HD2 LYS 25 HD2 LYS 25 10.001 -10.425 5.438 189 HD3 LYS 25 HD1 LYS 25 9.498 -10.901 3.825 190 HE2 LYS 25 HE2 LYS 25 10.569 -13.097 4.183 191 HE3 LYS 25 HE1 LYS 25 10.925 -12.605 5.842 192 HZ1 LYS 25 HZ1 LYS 25 8.606 -12.362 6.273 193 HZ2 LYS 25 HZ2 LYS 25 8.831 -13.902 5.643 194 HZ3 LYS 25 HZ3 LYS 25 8.210 -12.644 4.668 195 H PHE 26 HN PHE 26 11.744 -7.547 0.748 196 HA PHE 26 HA PHE 26 10.887 -4.964 1.427 197 HB2 PHE 26 HB2 PHE 26 12.913 -5.436 0.140 198 HB3 PHE 26 HB1 PHE 26 11.950 -6.137 -1.134 199 HD1 PHE 26 HD2 PHE 26 12.248 -2.888 0.684 200 HD2 PHE 26 HD1 PHE 26 11.564 -4.903 -2.999 201 HE1 PHE 26 HE2 PHE 26 12.170 -0.723 -0.488 202 HE2 PHE 26 HE1 PHE 26 11.489 -2.753 -4.174 203 HZ PHE 26 HZ PHE 26 11.800 -0.666 -2.927 204 H GLU 27 HN GLU 27 9.774 -7.303 -0.992 205 HA GLU 27 HA GLU 27 7.796 -5.565 -2.065 206 HB2 GLU 27 HB2 GLU 27 8.066 -8.551 -2.304 207 HB3 GLU 27 HB1 GLU 27 6.956 -7.556 -3.233 208 HG2 GLU 27 HG2 GLU 27 8.897 -6.349 -4.162 209 HG3 GLU 27 HG1 GLU 27 9.951 -7.481 -3.312 210 H GLU 28 HN GLU 28 7.897 -7.994 0.428 211 HA GLU 28 HA GLU 28 5.048 -8.061 0.909 212 HB2 GLU 28 HB2 GLU 28 7.180 -8.542 2.979 213 HB3 GLU 28 HB1 GLU 28 5.523 -9.116 2.987 214 HG2 GLU 28 HG2 GLU 28 6.358 -10.326 0.764 215 HG3 GLU 28 HG1 GLU 28 7.887 -10.132 1.560 216 H HIS 29 HN HIS 29 7.462 -5.858 1.672 217 HA HIS 29 HA HIS 29 5.582 -4.717 3.371 218 HB2 HIS 29 HB2 HIS 29 7.868 -4.482 4.144 219 HB3 HIS 29 HB1 HIS 29 8.373 -3.784 2.624 220 HD1 HIS 29 HD1 HIS 29 9.296 -2.218 4.915 221 HD2 HIS 29 HD2 HIS 29 5.488 -1.649 3.412 222 HE1 HIS 29 HE1 HIS 29 8.704 0.205 5.320 223 H VAL 30 HN VAL 30 6.929 -4.071 0.130 224 HA VAL 30 HA VAL 30 5.566 -1.618 -0.380 225 HB VAL 30 HB VAL 30 6.152 -3.671 -2.541 226 HG11 VAL 30 HG11 VAL 30 6.281 -1.731 -4.032 227 HG12 VAL 30 HG12 VAL 30 5.927 -0.653 -2.697 228 HG13 VAL 30 HG13 VAL 30 4.711 -1.807 -3.237 229 HG21 VAL 30 HG21 VAL 30 7.992 -1.527 -1.458 230 HG22 VAL 30 HG22 VAL 30 8.314 -2.540 -2.864 231 HG23 VAL 30 HG23 VAL 30 8.207 -3.266 -1.264 232 H GLU 31 HN GLU 31 4.505 -4.929 -0.959 233 HA GLU 31 HA GLU 31 1.983 -4.306 -2.037 234 HB2 GLU 31 HB2 GLU 31 2.889 -6.690 -0.425 235 HB3 GLU 31 HB1 GLU 31 1.365 -6.600 -1.289 236 HG2 GLU 31 HG2 GLU 31 4.076 -6.399 -2.581 237 HG3 GLU 31 HG1 GLU 31 3.138 -7.881 -2.468 238 H SER 32 HN SER 32 3.157 -4.236 1.250 239 HA SER 32 HA SER 32 0.478 -4.209 2.325 240 HB2 SER 32 HB2 SER 32 3.148 -3.927 3.710 241 HB3 SER 32 HB1 SER 32 1.584 -4.054 4.519 242 HG SER 32 HG SER 32 3.140 -5.962 3.327 243 H HIS 33 HN HIS 33 2.606 -1.949 1.025 244 HA HIS 33 HA HIS 33 1.757 0.396 2.481 245 HB2 HIS 33 HB2 HIS 33 2.802 0.036 -0.321 246 HB3 HIS 33 HB1 HIS 33 2.326 1.588 0.315 247 HD1 HIS 33 HD1 HIS 33 4.193 2.898 0.947 248 HD2 HIS 33 HD2 HIS 33 5.068 -1.096 1.335 249 HE1 HIS 33 HE1 HIS 33 6.726 2.754 1.219 250 H TRP 34 HN TRP 34 0.535 -1.496 -0.371 251 HA TRP 34 HA TRP 34 -1.338 0.171 -1.159 252 HB2 TRP 34 HB2 TRP 34 -0.638 -2.733 -1.228 253 HB3 TRP 34 HB1 TRP 34 -2.039 -1.988 -2.076 254 HD1 TRP 34 HD1 TRP 34 1.555 -0.685 -1.870 255 HE1 TRP 34 HE1 TRP 34 2.396 -0.675 -4.227 256 HE3 TRP 34 HE3 TRP 34 -2.227 -2.713 -3.749 257 HZ2 TRP 34 HZ2 TRP 34 1.415 -1.492 -6.844 258 HZ3 TRP 34 HZ3 TRP 34 -2.475 -3.205 -6.329 259 HH2 TRP 34 HH2 TRP 34 -0.604 -2.568 -7.793 260 H LYS 35 HN LYS 35 -3.063 0.635 -0.279 261 HA LYS 35 HA LYS 35 -3.879 -0.260 2.283 262 HB2 LYS 35 HB2 LYS 35 -5.309 1.595 0.379 263 HB3 LYS 35 HB1 LYS 35 -5.657 1.395 2.088 264 HG2 LYS 35 HG2 LYS 35 -3.118 2.535 0.917 265 HG3 LYS 35 HG1 LYS 35 -4.418 3.452 1.679 266 HD2 LYS 35 HD2 LYS 35 -3.997 2.314 3.796 267 HD3 LYS 35 HD1 LYS 35 -2.732 1.347 3.035 268 HE2 LYS 35 HE2 LYS 35 -2.720 4.347 3.362 269 HE3 LYS 35 HE1 LYS 35 -1.782 3.204 4.316 270 HZ1 LYS 35 HZ1 LYS 35 -0.723 2.501 2.186 271 HZ2 LYS 35 HZ2 LYS 35 -0.372 4.075 2.668 272 HZ3 LYS 35 HZ3 LYS 35 -1.481 3.818 1.429 273 H VAL 36 HN VAL 36 -4.764 -1.779 2.680 274 HA VAL 36 HA VAL 36 -6.267 -3.288 0.717 275 HB VAL 36 HB VAL 36 -4.463 -4.406 1.875 276 HG11 VAL 36 HG11 VAL 36 -4.572 -5.001 4.235 277 HG12 VAL 36 HG12 VAL 36 -5.986 -3.949 4.405 278 HG13 VAL 36 HG13 VAL 36 -4.429 -3.267 3.936 279 HG21 VAL 36 HG21 VAL 36 -7.166 -5.546 2.612 280 HG22 VAL 36 HG22 VAL 36 -5.654 -6.455 2.592 281 HG23 VAL 36 HG23 VAL 36 -6.305 -5.795 1.093 282 H CYS 37 HN CYS 37 -8.286 -3.290 0.580 283 HA CYS 37 HA CYS 37 -10.020 -2.193 2.591 284 HB2 CYS 37 HB2 CYS 37 -10.191 -1.851 0.034 285 HB3 CYS 37 HB1 CYS 37 -10.474 -3.549 -0.024 286 HA PRO 38 HA PRO 38 -10.229 -6.552 3.956 287 HB2 PRO 38 HB2 PRO 38 -11.995 -6.175 6.012 288 HB3 PRO 38 HB1 PRO 38 -10.272 -5.820 6.163 289 HG2 PRO 38 HG2 PRO 38 -12.556 -3.954 5.700 290 HG3 PRO 38 HG1 PRO 38 -11.108 -3.729 6.691 291 HD2 PRO 38 HD2 PRO 38 -11.440 -2.667 4.174 292 HD3 PRO 38 HD1 PRO 38 -9.845 -3.023 4.890 293 H MET 39 HN MET 39 -12.470 -4.504 2.757 294 HA MET 39 HA MET 39 -14.783 -6.250 2.728 295 HB2 MET 39 HB2 MET 39 -14.336 -3.543 1.535 296 HB3 MET 39 HB1 MET 39 -15.885 -4.315 1.806 297 HG2 MET 39 HG2 MET 39 -13.940 -3.419 3.924 298 HG3 MET 39 HG1 MET 39 -15.447 -2.617 3.495 299 HE1 MET 39 HE1 MET 39 -18.120 -5.160 4.539 300 HE2 MET 39 HE2 MET 39 -17.257 -5.055 2.982 301 HE3 MET 39 HE3 MET 39 -17.711 -3.576 3.835 302 H CYS 40 HN CYS 40 -12.492 -4.740 0.523 303 HA CYS 40 HA CYS 40 -13.557 -6.218 -1.800 304 HB2 CYS 40 HB2 CYS 40 -11.572 -4.081 -1.409 305 HB3 CYS 40 HB1 CYS 40 -11.425 -5.077 -2.889 306 H SER 41 HN SER 41 -11.164 -6.486 0.571 307 HA SER 41 HA SER 41 -9.479 -7.702 1.050 308 HB2 SER 41 HB2 SER 41 -9.357 -10.059 0.266 309 HB3 SER 41 HB1 SER 41 -10.941 -9.639 0.884 310 HG SER 41 HG SER 41 -11.009 -9.143 -1.687 311 H GLU 42 HN GLU 42 -9.229 -5.678 -1.088 312 HA GLU 42 HA GLU 42 -6.963 -6.664 -2.503 313 HB2 GLU 42 HB2 GLU 42 -9.264 -4.940 -3.290 314 HB3 GLU 42 HB1 GLU 42 -7.741 -5.031 -4.151 315 HG2 GLU 42 HG2 GLU 42 -8.100 -7.367 -4.566 316 HG3 GLU 42 HG1 GLU 42 -9.629 -7.323 -3.672 317 H GLN 43 HN GLN 43 -5.731 -5.344 -2.865 318 HA GLN 43 HA GLN 43 -5.138 -3.210 -0.871 319 HB2 GLN 43 HB2 GLN 43 -3.515 -4.871 -2.736 320 HB3 GLN 43 HB1 GLN 43 -2.801 -3.687 -1.609 321 HG2 GLN 43 HG2 GLN 43 -3.802 -5.072 0.221 322 HG3 GLN 43 HG1 GLN 43 -4.308 -6.211 -1.003 323 HE21 GLN 43 HE21 GLN 43 -2.441 -6.536 1.238 324 HE22 GLN 43 HE22 GLN 43 -0.978 -7.077 0.526 325 H PHE 44 HN PHE 44 -5.183 -1.231 -1.541 326 HA PHE 44 HA PHE 44 -5.312 -0.661 -4.392 327 HB2 PHE 44 HB2 PHE 44 -6.315 0.771 -1.955 328 HB3 PHE 44 HB1 PHE 44 -6.142 1.627 -3.484 329 HD1 PHE 44 HD1 PHE 44 -7.602 -1.544 -2.127 330 HD2 PHE 44 HD2 PHE 44 -7.965 1.653 -4.915 331 HE1 PHE 44 HE1 PHE 44 -9.736 -2.472 -2.904 332 HE2 PHE 44 HE2 PHE 44 -10.096 0.721 -5.700 333 HZ PHE 44 HZ PHE 44 -10.982 -1.343 -4.696 334 HA PRO 45 HA PRO 45 -1.313 0.864 -4.746 335 HB2 PRO 45 HB2 PRO 45 -1.651 3.097 -6.305 336 HB3 PRO 45 HB1 PRO 45 -1.697 1.441 -6.917 337 HG2 PRO 45 HG2 PRO 45 -3.969 3.240 -6.129 338 HG3 PRO 45 HG1 PRO 45 -3.838 2.228 -7.572 339 HD2 PRO 45 HD2 PRO 45 -5.273 1.456 -5.495 340 HD3 PRO 45 HD1 PRO 45 -4.286 0.264 -6.372 341 HA PRO 46 HA PRO 46 -0.157 3.931 -1.742 342 HB2 PRO 46 HB2 PRO 46 1.824 5.272 -3.149 343 HB3 PRO 46 HB1 PRO 46 2.070 3.769 -2.261 344 HG2 PRO 46 HG2 PRO 46 1.546 4.186 -5.185 345 HG3 PRO 46 HG1 PRO 46 2.688 3.075 -4.408 346 HD2 PRO 46 HD2 PRO 46 0.402 2.184 -5.379 347 HD3 PRO 46 HD1 PRO 46 0.982 1.566 -3.824 348 H ASP 47 HN ASP 47 -1.087 4.897 -4.897 349 HA ASP 47 HA ASP 47 -1.179 7.732 -4.511 350 HB2 ASP 47 HB2 ASP 47 -1.019 6.642 -6.748 351 HB3 ASP 47 HB1 ASP 47 -2.648 6.023 -6.533 352 H TYR 48 HN TYR 48 -3.206 5.107 -3.570 353 HA TYR 48 HA TYR 48 -5.636 6.541 -3.500 354 HB2 TYR 48 HB2 TYR 48 -4.866 3.826 -3.269 355 HB3 TYR 48 HB1 TYR 48 -5.587 4.346 -1.733 356 HD1 TYR 48 HD1 TYR 48 -6.213 4.120 -5.366 357 HD2 TYR 48 HD2 TYR 48 -7.883 4.680 -1.503 358 HE1 TYR 48 HE1 TYR 48 -8.454 3.940 -6.328 359 HE2 TYR 48 HE2 TYR 48 -10.133 4.517 -2.434 360 HH TYR 48 HH TYR 48 -11.247 4.851 -4.637 361 H ASP 49 HN ASP 49 -5.785 8.008 -2.304 362 HA ASP 49 HA ASP 49 -4.379 8.792 -0.002 363 HB2 ASP 49 HB2 ASP 49 -5.802 10.160 -1.763 364 HB3 ASP 49 HB1 ASP 49 -7.102 9.677 -0.742 365 H GLN 50 HN GLN 50 -5.027 8.704 1.993 366 HA GLN 50 HA GLN 50 -6.607 6.629 3.016 367 HB2 GLN 50 HB2 GLN 50 -5.687 9.142 4.364 368 HB3 GLN 50 HB1 GLN 50 -6.682 7.953 5.181 369 HG2 GLN 50 HG2 GLN 50 -3.967 7.477 3.996 370 HG3 GLN 50 HG1 GLN 50 -4.370 7.628 5.710 371 HE21 GLN 50 HE21 GLN 50 -5.669 5.974 6.659 372 HE22 GLN 50 HE22 GLN 50 -5.693 4.395 5.986 373 H GLN 51 HN GLN 51 -7.527 9.910 2.324 374 HA GLN 51 HA GLN 51 -10.123 9.731 3.521 375 HB2 GLN 51 HB2 GLN 51 -9.036 11.568 1.395 376 HB3 GLN 51 HB1 GLN 51 -10.628 11.746 2.122 377 HG2 GLN 51 HG2 GLN 51 -9.632 12.114 4.284 378 HG3 GLN 51 HG1 GLN 51 -8.027 11.820 3.608 379 HE21 GLN 51 HE21 GLN 51 -7.079 13.382 2.350 380 HE22 GLN 51 HE22 GLN 51 -7.663 15.003 2.299 381 H VAL 52 HN VAL 52 -8.809 9.126 0.382 382 HA VAL 52 HA VAL 52 -11.307 8.682 -0.920 383 HB VAL 52 HB VAL 52 -8.451 7.939 -1.678 384 HG11 VAL 52 HG11 VAL 52 -10.908 7.980 -3.426 385 HG12 VAL 52 HG12 VAL 52 -9.988 6.537 -2.924 386 HG13 VAL 52 HG13 VAL 52 -9.227 7.771 -3.924 387 HG21 VAL 52 HG21 VAL 52 -10.204 10.151 -2.614 388 HG22 VAL 52 HG22 VAL 52 -8.553 9.798 -3.148 389 HG23 VAL 52 HG23 VAL 52 -8.858 10.321 -1.475 390 H PHE 53 HN PHE 53 -8.899 6.777 0.684 391 HA PHE 53 HA PHE 53 -9.937 4.229 0.034 392 HB2 PHE 53 HB2 PHE 53 -7.587 4.456 0.523 393 HB3 PHE 53 HB1 PHE 53 -7.942 5.127 2.108 394 HD1 PHE 53 HD2 PHE 53 -8.600 2.061 0.098 395 HD2 PHE 53 HD1 PHE 53 -7.812 3.742 3.926 396 HE1 PHE 53 HE2 PHE 53 -8.517 -0.194 1.071 397 HE2 PHE 53 HE1 PHE 53 -7.729 1.496 4.905 398 HZ PHE 53 HZ PHE 53 -8.081 -0.475 3.479 399 H GLU 54 HN GLU 54 -10.133 6.298 2.947 400 HA GLU 54 HA GLU 54 -11.569 4.324 4.398 401 HB2 GLU 54 HB2 GLU 54 -11.385 7.301 4.844 402 HB3 GLU 54 HB1 GLU 54 -12.232 6.209 5.928 403 HG2 GLU 54 HG2 GLU 54 -10.030 4.968 6.210 404 HG3 GLU 54 HG1 GLU 54 -9.300 6.283 5.304 405 H ARG 55 HN ARG 55 -12.611 6.971 2.364 406 HA ARG 55 HA ARG 55 -15.376 6.531 2.925 407 HB2 ARG 55 HB2 ARG 55 -13.928 7.964 0.772 408 HB3 ARG 55 HB1 ARG 55 -15.646 7.647 0.559 409 HG2 ARG 55 HG2 ARG 55 -15.354 9.892 1.428 410 HG3 ARG 55 HG1 ARG 55 -16.106 8.887 2.660 411 HD2 ARG 55 HD2 ARG 55 -13.957 8.652 3.782 412 HD3 ARG 55 HD1 ARG 55 -13.183 9.598 2.514 413 HE ARG 55 HE ARG 55 -14.999 10.541 4.577 414 HH11 ARG 55 HH11 ARG 55 -12.973 11.331 1.774 415 HH12 ARG 55 HH12 ARG 55 -12.794 12.971 2.185 416 HH21 ARG 55 HH21 ARG 55 -14.701 12.813 5.150 417 HH22 ARG 55 HH22 ARG 55 -13.790 13.833 4.143 418 H HIS 56 HN HIS 56 -13.150 5.319 0.495 419 HA HIS 56 HA HIS 56 -14.862 3.785 -1.012 420 HB2 HIS 56 HB2 HIS 56 -12.590 3.997 -1.741 421 HB3 HIS 56 HB1 HIS 56 -11.974 3.397 -0.212 422 HD1 HIS 56 HD1 HIS 56 -13.743 2.077 -3.343 423 HD2 HIS 56 HD2 HIS 56 -11.405 0.772 -0.165 424 HE1 HIS 56 HE1 HIS 56 -13.232 -0.360 -3.780 425 H VAL 57 HN VAL 57 -13.163 2.884 1.967 426 HA VAL 57 HA VAL 57 -14.174 0.215 2.026 427 HB VAL 57 HB VAL 57 -13.020 1.904 4.262 428 HG11 VAL 57 HG11 VAL 57 -12.647 -0.211 5.448 429 HG12 VAL 57 HG12 VAL 57 -13.530 -1.078 4.178 430 HG13 VAL 57 HG13 VAL 57 -14.363 0.101 5.187 431 HG21 VAL 57 HG21 VAL 57 -11.771 -0.217 2.526 432 HG22 VAL 57 HG22 VAL 57 -10.981 0.599 3.877 433 HG23 VAL 57 HG23 VAL 57 -11.457 1.514 2.448 434 H GLN 58 HN GLN 58 -15.125 3.223 3.495 435 HA GLN 58 HA GLN 58 -17.131 2.206 5.100 436 HB2 GLN 58 HB2 GLN 58 -16.502 4.877 4.023 437 HB3 GLN 58 HB1 GLN 58 -18.008 4.637 4.932 438 HG2 GLN 58 HG2 GLN 58 -15.214 4.056 5.919 439 HG3 GLN 58 HG1 GLN 58 -16.160 5.484 6.332 440 HE21 GLN 58 HE21 GLN 58 -15.846 2.042 6.765 441 HE22 GLN 58 HE22 GLN 58 -16.894 1.941 8.135 442 H THR 59 HN THR 59 -17.236 3.121 1.728 443 HA THR 59 HA THR 59 -20.067 3.085 1.588 444 HB THR 59 HB THR 59 -19.851 2.860 -0.882 445 HG1 THR 59 HG1 THR 59 -17.065 2.730 -0.291 446 HG21 THR 59 HG21 THR 59 -18.063 4.922 0.383 447 HG22 THR 59 HG22 THR 59 -19.806 5.056 0.146 448 HG23 THR 59 HG23 THR 59 -18.723 5.017 -1.253 449 H HIS 60 HN HIS 60 -17.715 0.582 1.596 450 HA HIS 60 HA HIS 60 -19.350 -1.483 0.505 451 HB2 HIS 60 HB2 HIS 60 -16.981 -1.632 2.393 452 HB3 HIS 60 HB1 HIS 60 -17.755 -3.038 1.680 453 HD1 HIS 60 HD1 HIS 60 -16.748 -3.815 -0.487 454 HD2 HIS 60 HD2 HIS 60 -15.839 0.132 0.352 455 HE1 HIS 60 HE1 HIS 60 -14.896 -3.119 -2.126 456 H PHE 61 HN PHE 61 -18.958 0.006 3.614 457 HA PHE 61 HA PHE 61 -20.671 -1.926 4.951 458 HB2 PHE 61 HB2 PHE 61 -19.280 0.575 5.875 459 HB3 PHE 61 HB1 PHE 61 -20.398 -0.283 6.901 460 HD1 PHE 61 HD2 PHE 61 -19.819 -2.716 7.469 461 HD2 PHE 61 HD1 PHE 61 -17.039 0.018 5.772 462 HE1 PHE 61 HE2 PHE 61 -17.966 -4.088 8.316 463 HE2 PHE 61 HE1 PHE 61 -15.179 -1.344 6.622 464 HZ PHE 61 HZ PHE 61 -15.638 -3.398 7.897 465 H ASP 62 HN ASP 62 -20.769 1.306 3.656 466 HA ASP 62 HA ASP 62 -23.172 2.076 5.009 467 HB2 ASP 62 HB2 ASP 62 -21.397 3.695 4.350 468 HB3 ASP 62 HB1 ASP 62 -21.786 3.378 2.668 469 H GLN 63 HN GLN 63 -22.310 1.579 1.802 470 HA GLN 63 HA GLN 63 -23.278 0.951 -0.075 471 HB2 GLN 63 HB2 GLN 63 -25.062 -0.557 1.812 472 HB3 GLN 63 HB1 GLN 63 -25.104 -0.804 0.069 473 HG2 GLN 63 HG2 GLN 63 -22.817 -1.552 0.082 474 HG3 GLN 63 HG1 GLN 63 -22.656 -1.156 1.788 475 HE21 GLN 63 HE21 GLN 63 -23.562 -2.496 3.301 476 HE22 GLN 63 HE22 GLN 63 -24.138 -4.076 2.925 477 H ASN 64 HN ASN 64 -24.539 3.237 1.651 478 HA ASN 64 HA ASN 64 -25.992 4.842 1.527 479 HB2 ASN 64 HB2 ASN 64 -26.400 3.929 -1.335 480 HB3 ASN 64 HB1 ASN 64 -26.964 5.462 -0.677 481 HD21 ASN 64 HD21 ASN 64 -24.388 5.588 0.993 482 HD22 ASN 64 HD22 ASN 64 -23.198 6.132 -0.101 483 H VAL 65 HN VAL 65 -26.819 2.079 2.195 484 HA VAL 65 HA VAL 65 -28.640 0.965 2.981 485 HB VAL 65 HB VAL 65 -30.186 3.584 2.729 486 HG11 VAL 65 HG11 VAL 65 -31.558 1.658 3.311 487 HG12 VAL 65 HG12 VAL 65 -31.453 2.777 4.667 488 HG13 VAL 65 HG13 VAL 65 -30.498 1.294 4.672 489 HG21 VAL 65 HG21 VAL 65 -28.445 2.734 5.041 490 HG22 VAL 65 HG22 VAL 65 -29.445 4.190 4.964 491 HG23 VAL 65 HG23 VAL 65 -28.067 4.006 3.881 492 H LEU 66 HN LEU 66 -28.046 1.014 0.237 493 HA LEU 66 HA LEU 66 -30.654 0.391 -0.923 494 HB2 LEU 66 HB2 LEU 66 -28.452 2.003 -2.202 495 HB3 LEU 66 HB1 LEU 66 -29.831 1.363 -3.058 496 HG LEU 66 HG LEU 66 -30.007 3.416 -0.853 497 HD11 LEU 66 HD11 LEU 66 -28.794 4.278 -2.799 498 HD12 LEU 66 HD12 LEU 66 -30.383 5.022 -2.654 499 HD13 LEU 66 HD13 LEU 66 -30.109 3.755 -3.851 500 HD21 LEU 66 HD21 LEU 66 -32.021 2.440 -2.881 501 HD22 LEU 66 HD22 LEU 66 -32.274 3.734 -1.711 502 HD23 LEU 66 HD23 LEU 66 -32.035 2.078 -1.154 503 H ASN 67 HN ASN 67 -30.338 -0.988 -2.800 504 HA ASN 67 HA ASN 67 -27.922 -2.575 -2.693 505 HB2 ASN 67 HB2 ASN 67 -28.951 -3.911 -4.524 506 HB3 ASN 67 HB1 ASN 67 -30.088 -3.741 -3.197 507 HD21 ASN 67 HD21 ASN 67 -29.481 -3.183 -6.555 508 HD22 ASN 67 HD22 ASN 67 -30.991 -2.456 -6.908 509 H PHE 68 HN PHE 68 -26.180 -1.987 -3.801 510 HA PHE 68 HA PHE 68 -26.171 0.527 -5.063 511 HB2 PHE 68 HB2 PHE 68 -24.152 -0.419 -3.970 512 HB3 PHE 68 HB1 PHE 68 -24.021 -1.598 -5.275 513 HD1 PHE 68 HD2 PHE 68 -23.861 1.990 -4.459 514 HD2 PHE 68 HD1 PHE 68 -23.070 -1.005 -7.373 515 HE1 PHE 68 HE2 PHE 68 -22.598 3.622 -5.794 516 HE2 PHE 68 HE1 PHE 68 -21.811 0.617 -8.710 517 HZ PHE 68 HZ PHE 68 -21.576 2.938 -7.920 518 H ASP 69 HN ASP 69 -25.797 -2.693 -6.456 519 HA ASP 69 HA ASP 69 -27.134 -1.704 -8.822 520 HB2 ASP 69 HB2 ASP 69 -24.670 -1.551 -9.278 521 HB3 ASP 69 HB1 ASP 69 -24.553 -3.283 -8.973 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 17.751 4.121 -6.016 2 H2 GLY 1 HT2 GLY 1 17.320 5.005 -7.370 3 H3 GLY 1 HT3 GLY 1 18.931 4.515 -7.150 4 HA2 GLY 1 HA1 GLY 1 16.620 2.707 -7.615 5 HA3 GLY 1 HA2 GLY 1 17.896 3.082 -8.771 6 HA PRO 2 HA PRO 2 19.513 -0.714 -6.735 7 HB2 PRO 2 HB2 PRO 2 21.243 -0.651 -9.136 8 HB3 PRO 2 HB1 PRO 2 20.243 -1.973 -8.524 9 HG2 PRO 2 HG2 PRO 2 19.568 -0.628 -10.735 10 HG3 PRO 2 HG1 PRO 2 18.337 -1.201 -9.591 11 HD2 PRO 2 HD2 PRO 2 19.474 1.543 -9.949 12 HD3 PRO 2 HD1 PRO 2 17.789 1.050 -9.659 13 H HIS 3 HN HIS 3 21.132 -0.516 -5.282 14 HA HIS 3 HA HIS 3 23.350 1.237 -5.922 15 HB2 HIS 3 HB2 HIS 3 23.127 2.510 -3.834 16 HB3 HIS 3 HB1 HIS 3 21.736 2.718 -4.866 17 HD1 HIS 3 HD1 HIS 3 22.072 2.990 -1.595 18 HD2 HIS 3 HD2 HIS 3 19.935 0.169 -3.762 19 HE1 HIS 3 HE1 HIS 3 20.292 2.087 -0.026 20 H MET 4 HN MET 4 24.890 1.232 -3.775 21 HA MET 4 HA MET 4 25.635 -1.512 -3.578 22 HB2 MET 4 HB2 MET 4 26.762 0.928 -2.340 23 HB3 MET 4 HB1 MET 4 27.437 -0.668 -2.026 24 HG2 MET 4 HG2 MET 4 27.929 -0.964 -4.371 25 HG3 MET 4 HG1 MET 4 27.167 0.582 -4.752 26 HE1 MET 4 HE1 MET 4 27.835 2.692 -3.652 27 HE2 MET 4 HE2 MET 4 29.398 3.106 -2.910 28 HE3 MET 4 HE3 MET 4 28.215 2.092 -2.044 29 H ASP 5 HN ASP 5 23.944 0.607 -1.918 30 HA ASP 5 HA ASP 5 22.409 0.555 -0.279 31 HB2 ASP 5 HB2 ASP 5 22.125 -1.895 -0.984 32 HB3 ASP 5 HB1 ASP 5 23.094 -2.282 0.435 33 H VAL 6 HN VAL 6 22.175 0.736 1.885 34 HA VAL 6 HA VAL 6 23.740 0.484 3.984 35 HB VAL 6 HB VAL 6 25.519 1.451 2.546 36 HG11 VAL 6 HG11 VAL 6 24.016 4.029 2.861 37 HG12 VAL 6 HG12 VAL 6 24.430 3.183 1.360 38 HG13 VAL 6 HG13 VAL 6 25.695 3.929 2.332 39 HG21 VAL 6 HG21 VAL 6 24.978 2.871 5.140 40 HG22 VAL 6 HG22 VAL 6 26.531 2.898 4.304 41 HG23 VAL 6 HG23 VAL 6 25.880 1.374 4.904 42 H HIS 7 HN HIS 7 21.760 2.401 2.128 43 HA HIS 7 HA HIS 7 20.438 3.027 4.563 44 HB2 HIS 7 HB2 HIS 7 19.735 5.283 3.758 45 HB3 HIS 7 HB1 HIS 7 21.457 5.092 4.067 46 HD1 HIS 7 HD1 HIS 7 19.390 6.805 1.808 47 HD2 HIS 7 HD2 HIS 7 22.686 4.346 1.273 48 HE1 HIS 7 HE1 HIS 7 20.346 7.386 -0.443 49 H LYS 8 HN LYS 8 19.204 1.430 4.255 50 HA LYS 8 HA LYS 8 17.350 1.398 2.027 51 HB2 LYS 8 HB2 LYS 8 17.987 -0.595 4.117 52 HB3 LYS 8 HB1 LYS 8 16.339 -0.582 3.515 53 HG2 LYS 8 HG2 LYS 8 18.795 -0.865 1.806 54 HG3 LYS 8 HG1 LYS 8 17.768 -2.195 2.350 55 HD2 LYS 8 HD2 LYS 8 15.844 -1.117 1.197 56 HD3 LYS 8 HD1 LYS 8 16.936 0.114 0.575 57 HE2 LYS 8 HE2 LYS 8 17.093 -2.842 0.026 58 HE3 LYS 8 HE1 LYS 8 16.520 -1.604 -1.090 59 HZ1 LYS 8 HZ1 LYS 8 18.779 -2.215 -1.572 60 HZ2 LYS 8 HZ2 LYS 8 19.251 -1.896 0.004 61 HZ3 LYS 8 HZ3 LYS 8 18.794 -0.620 -0.998 62 H LYS 9 HN LYS 9 16.165 3.142 2.291 63 HA LYS 9 HA LYS 9 14.233 3.175 4.528 64 HB2 LYS 9 HB2 LYS 9 14.803 5.181 2.345 65 HB3 LYS 9 HB1 LYS 9 13.460 5.276 3.447 66 HG2 LYS 9 HG2 LYS 9 14.953 5.551 5.328 67 HG3 LYS 9 HG1 LYS 9 16.356 5.387 4.260 68 HD2 LYS 9 HD2 LYS 9 15.784 7.338 3.060 69 HD3 LYS 9 HD1 LYS 9 14.207 7.448 3.829 70 HE2 LYS 9 HE2 LYS 9 15.772 9.112 4.716 71 HE3 LYS 9 HE1 LYS 9 15.271 7.981 5.965 72 HZ1 LYS 9 HZ1 LYS 9 17.633 8.473 6.027 73 HZ2 LYS 9 HZ2 LYS 9 17.844 7.863 4.477 74 HZ3 LYS 9 HZ3 LYS 9 17.355 6.846 5.737 75 H CYS 10 HN CYS 10 12.244 2.760 4.276 76 HA CYS 10 HA CYS 10 11.029 1.699 1.949 77 HB2 CYS 10 HB2 CYS 10 10.112 1.527 4.223 78 HB3 CYS 10 HB1 CYS 10 9.902 3.249 4.268 79 HA PRO 11 HA PRO 11 11.144 5.670 -0.140 80 HB2 PRO 11 HB2 PRO 11 9.365 5.002 -2.178 81 HB3 PRO 11 HB1 PRO 11 11.108 4.727 -2.211 82 HG2 PRO 11 HG2 PRO 11 8.910 2.811 -1.629 83 HG3 PRO 11 HG1 PRO 11 10.463 2.538 -2.425 84 HD2 PRO 11 HD2 PRO 11 9.942 1.797 0.134 85 HD3 PRO 11 HD1 PRO 11 11.565 2.229 -0.444 86 H LEU 12 HN LEU 12 8.350 4.071 1.077 87 HA LEU 12 HA LEU 12 6.691 6.428 0.643 88 HB2 LEU 12 HB2 LEU 12 5.775 3.883 1.956 89 HB3 LEU 12 HB1 LEU 12 4.793 5.157 1.272 90 HG LEU 12 HG LEU 12 4.560 3.548 -0.297 91 HD11 LEU 12 HD11 LEU 12 6.969 5.012 -1.292 92 HD12 LEU 12 HD12 LEU 12 5.279 5.473 -1.482 93 HD13 LEU 12 HD13 LEU 12 5.896 4.023 -2.279 94 HD21 LEU 12 HD21 LEU 12 6.222 1.983 -1.037 95 HD22 LEU 12 HD22 LEU 12 6.034 1.928 0.716 96 HD23 LEU 12 HD23 LEU 12 7.441 2.732 0.000 97 H CYS 13 HN CYS 13 7.440 4.327 3.505 98 HA CYS 13 HA CYS 13 6.538 6.584 5.143 99 HB2 CYS 13 HB2 CYS 13 6.373 5.132 7.029 100 HB3 CYS 13 HB1 CYS 13 5.569 4.422 5.619 101 H GLU 14 HN GLU 14 9.301 5.421 4.046 102 HA GLU 14 HA GLU 14 11.475 5.877 4.306 103 HB2 GLU 14 HB2 GLU 14 10.408 8.093 6.024 104 HB3 GLU 14 HB1 GLU 14 12.111 7.932 5.610 105 HG2 GLU 14 HG2 GLU 14 11.628 8.147 3.281 106 HG3 GLU 14 HG1 GLU 14 9.895 8.124 3.595 107 H LEU 15 HN LEU 15 9.963 4.205 6.348 108 HA LEU 15 HA LEU 15 11.553 4.106 8.670 109 HB2 LEU 15 HB2 LEU 15 9.315 3.064 8.408 110 HB3 LEU 15 HB1 LEU 15 9.977 1.944 7.252 111 HG LEU 15 HG LEU 15 10.944 1.961 10.113 112 HD11 LEU 15 HD11 LEU 15 8.611 0.465 8.938 113 HD12 LEU 15 HD12 LEU 15 8.519 1.775 10.124 114 HD13 LEU 15 HD13 LEU 15 9.292 0.245 10.553 115 HD21 LEU 15 HD21 LEU 15 11.416 -0.374 9.639 116 HD22 LEU 15 HD22 LEU 15 12.230 0.660 8.466 117 HD23 LEU 15 HD23 LEU 15 10.757 -0.201 8.014 118 H MET 16 HN MET 16 13.430 2.885 9.097 119 HA MET 16 HA MET 16 14.930 2.354 6.705 120 HB2 MET 16 HB2 MET 16 15.814 4.002 8.265 121 HB3 MET 16 HB1 MET 16 15.823 2.792 9.543 122 HG2 MET 16 HG2 MET 16 17.430 1.490 8.355 123 HG3 MET 16 HG1 MET 16 17.283 2.605 6.989 124 HE1 MET 16 HE1 MET 16 18.479 2.201 10.722 125 HE2 MET 16 HE2 MET 16 17.417 3.608 10.816 126 HE3 MET 16 HE3 MET 16 19.153 3.793 11.061 127 H PHE 17 HN PHE 17 15.573 0.468 6.191 128 HA PHE 17 HA PHE 17 15.257 -1.813 8.025 129 HB2 PHE 17 HB2 PHE 17 15.534 -1.776 5.008 130 HB3 PHE 17 HB1 PHE 17 15.210 -3.182 6.007 131 HD1 PHE 17 HD2 PHE 17 13.027 -3.329 7.198 132 HD2 PHE 17 HD1 PHE 17 13.833 -0.422 4.212 133 HE1 PHE 17 HE2 PHE 17 10.620 -2.972 6.902 134 HE2 PHE 17 HE1 PHE 17 11.438 -0.060 3.906 135 HZ PHE 17 HZ PHE 17 9.825 -1.331 5.257 136 HA PRO 18 HA PRO 18 19.710 -2.059 7.774 137 HB2 PRO 18 HB2 PRO 18 20.077 -4.765 7.929 138 HB3 PRO 18 HB1 PRO 18 19.691 -3.774 9.338 139 HG2 PRO 18 HG2 PRO 18 17.890 -5.445 7.648 140 HG3 PRO 18 HG1 PRO 18 17.937 -5.286 9.415 141 HD2 PRO 18 HD2 PRO 18 16.106 -3.997 7.921 142 HD3 PRO 18 HD1 PRO 18 16.795 -3.275 9.390 143 HA PRO 19 HA PRO 19 20.452 -2.966 3.356 144 HB2 PRO 19 HB2 PRO 19 23.234 -3.500 4.150 145 HB3 PRO 19 HB1 PRO 19 22.612 -2.282 3.037 146 HG2 PRO 19 HG2 PRO 19 23.571 -1.634 5.448 147 HG3 PRO 19 HG1 PRO 19 22.204 -0.758 4.727 148 HD2 PRO 19 HD2 PRO 19 22.219 -2.816 6.894 149 HD3 PRO 19 HD1 PRO 19 21.233 -1.355 6.702 150 H ASN 20 HN ASN 20 20.755 -5.176 5.791 151 HA ASN 20 HA ASN 20 21.347 -7.213 3.842 152 HB2 ASN 20 HB2 ASN 20 21.699 -8.801 5.677 153 HB3 ASN 20 HB1 ASN 20 22.630 -7.340 5.966 154 HD21 ASN 20 HD21 ASN 20 20.027 -9.330 7.034 155 HD22 ASN 20 HD22 ASN 20 19.728 -8.500 8.518 156 H TYR 21 HN TYR 21 18.667 -5.630 4.661 157 HA TYR 21 HA TYR 21 16.830 -7.501 5.408 158 HB2 TYR 21 HB2 TYR 21 16.699 -5.069 5.517 159 HB3 TYR 21 HB1 TYR 21 16.359 -5.004 3.779 160 HD1 TYR 21 HD2 TYR 21 15.315 -6.214 7.002 161 HD2 TYR 21 HD1 TYR 21 14.135 -5.366 3.083 162 HE1 TYR 21 HE2 TYR 21 12.930 -6.563 7.681 163 HE2 TYR 21 HE1 TYR 21 11.747 -5.694 3.677 164 HH TYR 21 HH TYR 21 10.706 -5.795 6.853 165 H ASP 22 HN ASP 22 15.239 -8.218 4.247 166 HA ASP 22 HA ASP 22 16.010 -9.739 1.944 167 HB2 ASP 22 HB2 ASP 22 14.506 -10.644 3.743 168 HB3 ASP 22 HB1 ASP 22 13.311 -9.509 3.144 169 H GLN 23 HN GLN 23 15.468 -9.507 0.097 170 HA GLN 23 HA GLN 23 14.762 -7.027 -1.067 171 HB2 GLN 23 HB2 GLN 23 15.395 -9.715 -2.073 172 HB3 GLN 23 HB1 GLN 23 14.555 -8.633 -3.168 173 HG2 GLN 23 HG2 GLN 23 17.014 -8.653 -3.383 174 HG3 GLN 23 HG1 GLN 23 16.314 -7.059 -3.081 175 HE21 GLN 23 HE21 GLN 23 16.766 -6.027 -1.147 176 HE22 GLN 23 HE22 GLN 23 17.992 -6.554 -0.064 177 H SER 24 HN SER 24 12.980 -10.025 -0.736 178 HA SER 24 HA SER 24 10.803 -9.080 -2.370 179 HB2 SER 24 HB2 SER 24 10.911 -11.483 -0.548 180 HB3 SER 24 HB1 SER 24 9.787 -11.221 -1.886 181 HG SER 24 HG SER 24 11.374 -11.487 -3.326 182 H LYS 25 HN LYS 25 11.459 -9.618 1.016 183 HA LYS 25 HA LYS 25 8.963 -8.791 2.001 184 HB2 LYS 25 HB2 LYS 25 11.537 -9.441 3.024 185 HB3 LYS 25 HB1 LYS 25 10.810 -8.226 4.059 186 HG2 LYS 25 HG2 LYS 25 10.348 -10.420 4.903 187 HG3 LYS 25 HG1 LYS 25 8.857 -9.774 4.227 188 HD2 LYS 25 HD2 LYS 25 9.291 -11.079 2.154 189 HD3 LYS 25 HD1 LYS 25 10.715 -11.772 2.932 190 HE2 LYS 25 HE2 LYS 25 8.852 -13.316 3.110 191 HE3 LYS 25 HE1 LYS 25 9.272 -12.693 4.701 192 HZ1 LYS 25 HZ1 LYS 25 6.894 -12.737 4.369 193 HZ2 LYS 25 HZ2 LYS 25 6.999 -11.764 3.019 194 HZ3 LYS 25 HZ3 LYS 25 7.387 -11.142 4.538 195 H PHE 26 HN PHE 26 11.767 -6.971 1.047 196 HA PHE 26 HA PHE 26 10.974 -4.460 2.087 197 HB2 PHE 26 HB2 PHE 26 13.257 -4.831 1.266 198 HB3 PHE 26 HB1 PHE 26 12.649 -5.144 -0.348 199 HD1 PHE 26 HD2 PHE 26 12.642 -2.460 2.245 200 HD2 PHE 26 HD1 PHE 26 12.669 -3.446 -1.892 201 HE1 PHE 26 HE2 PHE 26 12.854 -0.072 1.683 202 HE2 PHE 26 HE1 PHE 26 12.874 -1.060 -2.464 203 HZ PHE 26 HZ PHE 26 12.966 0.629 -0.679 204 H GLU 27 HN GLU 27 10.467 -6.024 -1.001 205 HA GLU 27 HA GLU 27 8.966 -3.972 -2.212 206 HB2 GLU 27 HB2 GLU 27 9.058 -6.923 -2.799 207 HB3 GLU 27 HB1 GLU 27 8.339 -5.706 -3.848 208 HG2 GLU 27 HG2 GLU 27 10.494 -4.610 -4.069 209 HG3 GLU 27 HG1 GLU 27 11.214 -5.812 -3.003 210 H GLU 28 HN GLU 28 8.075 -6.814 -0.393 211 HA GLU 28 HA GLU 28 5.210 -6.411 -0.520 212 HB2 GLU 28 HB2 GLU 28 6.987 -7.985 1.316 213 HB3 GLU 28 HB1 GLU 28 5.246 -7.885 1.518 214 HG2 GLU 28 HG2 GLU 28 6.633 -8.920 -0.941 215 HG3 GLU 28 HG1 GLU 28 6.003 -9.934 0.360 216 H HIS 29 HN HIS 29 7.622 -4.995 1.337 217 HA HIS 29 HA HIS 29 5.575 -4.024 2.935 218 HB2 HIS 29 HB2 HIS 29 7.647 -4.341 4.099 219 HB3 HIS 29 HB1 HIS 29 8.538 -3.436 2.898 220 HD1 HIS 29 HD1 HIS 29 7.226 -3.117 6.280 221 HD2 HIS 29 HD2 HIS 29 7.910 -0.623 3.071 222 HE1 HIS 29 HE1 HIS 29 7.496 -0.779 7.265 223 H VAL 30 HN VAL 30 7.538 -2.864 0.271 224 HA VAL 30 HA VAL 30 6.489 -0.182 0.055 225 HB VAL 30 HB VAL 30 7.310 -2.042 -2.225 226 HG11 VAL 30 HG11 VAL 30 7.702 -0.061 -3.529 227 HG12 VAL 30 HG12 VAL 30 7.373 0.964 -2.157 228 HG13 VAL 30 HG13 VAL 30 6.051 0.035 -2.888 229 HG21 VAL 30 HG21 VAL 30 9.007 -0.093 -0.678 230 HG22 VAL 30 HG22 VAL 30 9.524 -0.985 -2.108 231 HG23 VAL 30 HG23 VAL 30 9.127 -1.851 -0.620 232 H GLU 31 HN GLU 31 5.339 -3.184 -1.300 233 HA GLU 31 HA GLU 31 3.032 -1.939 -2.406 234 HB2 GLU 31 HB2 GLU 31 3.822 -4.826 -2.098 235 HB3 GLU 31 HB1 GLU 31 2.385 -4.275 -2.961 236 HG2 GLU 31 HG2 GLU 31 3.709 -3.073 -4.546 237 HG3 GLU 31 HG1 GLU 31 5.158 -3.368 -3.592 238 H SER 32 HN SER 32 3.735 -2.697 0.724 239 HA SER 32 HA SER 32 1.019 -3.371 1.481 240 HB2 SER 32 HB2 SER 32 3.055 -4.252 2.732 241 HB3 SER 32 HB1 SER 32 3.348 -2.603 3.267 242 HG SER 32 HG SER 32 0.828 -3.751 3.694 243 H HIS 33 HN HIS 33 3.140 -0.639 1.124 244 HA HIS 33 HA HIS 33 1.402 1.213 2.434 245 HB2 HIS 33 HB2 HIS 33 3.754 1.546 0.621 246 HB3 HIS 33 HB1 HIS 33 2.805 2.920 1.190 247 HD1 HIS 33 HD1 HIS 33 3.216 3.646 3.656 248 HD2 HIS 33 HD2 HIS 33 4.998 0.050 2.629 249 HE1 HIS 33 HE1 HIS 33 4.499 2.872 5.681 250 H TRP 34 HN TRP 34 1.747 0.011 -0.891 251 HA TRP 34 HA TRP 34 -0.072 1.623 -2.062 252 HB2 TRP 34 HB2 TRP 34 1.056 -1.154 -2.291 253 HB3 TRP 34 HB1 TRP 34 -0.091 -0.439 -3.476 254 HD1 TRP 34 HD1 TRP 34 2.896 1.503 -2.035 255 HE1 TRP 34 HE1 TRP 34 4.465 1.754 -3.948 256 HE3 TRP 34 HE3 TRP 34 0.651 -1.433 -5.001 257 HZ2 TRP 34 HZ2 TRP 34 4.794 0.715 -6.619 258 HZ3 TRP 34 HZ3 TRP 34 1.542 -1.956 -7.421 259 HH2 TRP 34 HH2 TRP 34 3.620 -0.848 -8.141 260 H LYS 35 HN LYS 35 -2.130 1.572 -1.807 261 HA LYS 35 HA LYS 35 -3.201 0.040 0.357 262 HB2 LYS 35 HB2 LYS 35 -4.603 2.189 -1.229 263 HB3 LYS 35 HB1 LYS 35 -5.315 1.336 0.122 264 HG2 LYS 35 HG2 LYS 35 -4.606 3.443 0.927 265 HG3 LYS 35 HG1 LYS 35 -3.450 2.269 1.549 266 HD2 LYS 35 HD2 LYS 35 -1.904 2.806 -0.173 267 HD3 LYS 35 HD1 LYS 35 -3.061 3.877 -0.938 268 HE2 LYS 35 HE2 LYS 35 -1.458 5.231 0.302 269 HE3 LYS 35 HE1 LYS 35 -2.967 5.255 1.212 270 HZ1 LYS 35 HZ1 LYS 35 -0.974 4.878 2.590 271 HZ2 LYS 35 HZ2 LYS 35 -0.685 3.446 1.769 272 HZ3 LYS 35 HZ3 LYS 35 -2.079 3.608 2.717 273 H VAL 36 HN VAL 36 -3.694 -1.635 0.171 274 HA VAL 36 HA VAL 36 -4.866 -2.751 -2.243 275 HB VAL 36 HB VAL 36 -2.905 -3.837 -1.290 276 HG11 VAL 36 HG11 VAL 36 -3.006 -5.165 0.748 277 HG12 VAL 36 HG12 VAL 36 -4.578 -4.426 1.100 278 HG13 VAL 36 HG13 VAL 36 -3.129 -3.420 0.980 279 HG21 VAL 36 HG21 VAL 36 -3.716 -6.176 -1.335 280 HG22 VAL 36 HG22 VAL 36 -4.400 -5.201 -2.634 281 HG23 VAL 36 HG23 VAL 36 -5.372 -5.579 -1.212 282 H CYS 37 HN CYS 37 -6.904 -3.181 -2.470 283 HA CYS 37 HA CYS 37 -8.794 -2.892 -0.318 284 HB2 CYS 37 HB2 CYS 37 -9.181 -2.071 -2.677 285 HB3 CYS 37 HB1 CYS 37 -8.996 -3.712 -3.185 286 HA PRO 38 HA PRO 38 -8.229 -7.296 0.540 287 HB2 PRO 38 HB2 PRO 38 -10.940 -7.074 1.718 288 HB3 PRO 38 HB1 PRO 38 -9.443 -7.631 2.471 289 HG2 PRO 38 HG2 PRO 38 -10.493 -5.250 3.085 290 HG3 PRO 38 HG1 PRO 38 -8.741 -5.490 2.971 291 HD2 PRO 38 HD2 PRO 38 -10.598 -4.221 0.984 292 HD3 PRO 38 HD1 PRO 38 -8.945 -3.749 1.475 293 H MET 39 HN MET 39 -11.278 -6.003 -0.546 294 HA MET 39 HA MET 39 -12.224 -8.499 -1.578 295 HB2 MET 39 HB2 MET 39 -13.322 -5.722 -1.702 296 HB3 MET 39 HB1 MET 39 -14.099 -7.061 -2.502 297 HG2 MET 39 HG2 MET 39 -15.205 -6.675 -0.390 298 HG3 MET 39 HG1 MET 39 -14.350 -8.205 -0.310 299 HE1 MET 39 HE1 MET 39 -12.926 -4.512 0.063 300 HE2 MET 39 HE2 MET 39 -12.944 -4.347 1.819 301 HE3 MET 39 HE3 MET 39 -14.463 -4.461 0.934 302 H CYS 40 HN CYS 40 -10.453 -5.820 -2.964 303 HA CYS 40 HA CYS 40 -11.068 -6.861 -5.641 304 HB2 CYS 40 HB2 CYS 40 -10.035 -4.350 -4.555 305 HB3 CYS 40 HB1 CYS 40 -9.580 -4.740 -6.246 306 H SER 41 HN SER 41 -8.576 -6.672 -3.228 307 HA SER 41 HA SER 41 -6.549 -7.356 -3.017 308 HB2 SER 41 HB2 SER 41 -7.202 -9.138 -5.381 309 HB3 SER 41 HB1 SER 41 -5.749 -9.257 -4.375 310 HG SER 41 HG SER 41 -8.438 -9.593 -3.586 311 H GLU 42 HN GLU 42 -7.214 -4.990 -4.751 312 HA GLU 42 HA GLU 42 -4.914 -4.883 -6.407 313 HB2 GLU 42 HB2 GLU 42 -7.579 -3.531 -6.400 314 HB3 GLU 42 HB1 GLU 42 -6.196 -2.947 -7.301 315 HG2 GLU 42 HG2 GLU 42 -6.107 -5.044 -8.488 316 HG3 GLU 42 HG1 GLU 42 -7.554 -5.611 -7.642 317 H GLN 43 HN GLN 43 -3.866 -3.459 -6.211 318 HA GLN 43 HA GLN 43 -3.600 -1.973 -3.650 319 HB2 GLN 43 HB2 GLN 43 -1.669 -2.835 -5.736 320 HB3 GLN 43 HB1 GLN 43 -1.204 -1.940 -4.265 321 HG2 GLN 43 HG2 GLN 43 -2.192 -3.907 -3.014 322 HG3 GLN 43 HG1 GLN 43 -2.327 -4.706 -4.559 323 HE21 GLN 43 HE21 GLN 43 -0.730 -5.370 -2.197 324 HE22 GLN 43 HE22 GLN 43 0.888 -5.492 -2.772 325 H PHE 44 HN PHE 44 -3.843 0.042 -3.709 326 HA PHE 44 HA PHE 44 -3.748 1.613 -6.168 327 HB2 PHE 44 HB2 PHE 44 -4.764 2.130 -3.372 328 HB3 PHE 44 HB1 PHE 44 -4.700 3.387 -4.592 329 HD1 PHE 44 HD2 PHE 44 -6.237 0.162 -3.652 330 HD2 PHE 44 HD1 PHE 44 -6.401 3.484 -6.306 331 HE1 PHE 44 HE2 PHE 44 -8.422 -0.598 -4.462 332 HE2 PHE 44 HE1 PHE 44 -8.586 2.713 -7.121 333 HZ PHE 44 HZ PHE 44 -9.598 0.678 -6.201 334 HA PRO 45 HA PRO 45 0.246 3.171 -5.171 335 HB2 PRO 45 HB2 PRO 45 0.054 5.834 -5.753 336 HB3 PRO 45 HB1 PRO 45 0.153 4.580 -6.994 337 HG2 PRO 45 HG2 PRO 45 -2.245 6.024 -5.940 338 HG3 PRO 45 HG1 PRO 45 -1.856 5.615 -7.614 339 HD2 PRO 45 HD2 PRO 45 -3.593 4.213 -6.139 340 HD3 PRO 45 HD1 PRO 45 -2.577 3.425 -7.374 341 HA PRO 46 HA PRO 46 0.251 4.678 -1.015 342 HB2 PRO 46 HB2 PRO 46 2.627 6.026 -0.972 343 HB3 PRO 46 HB1 PRO 46 2.552 4.272 -0.878 344 HG2 PRO 46 HG2 PRO 46 3.107 6.042 -3.212 345 HG3 PRO 46 HG1 PRO 46 3.849 4.492 -2.769 346 HD2 PRO 46 HD2 PRO 46 2.011 4.699 -4.717 347 HD3 PRO 46 HD1 PRO 46 2.116 3.264 -3.680 348 H ASP 47 HN ASP 47 0.651 6.813 -3.682 349 HA ASP 47 HA ASP 47 0.249 9.218 -2.121 350 HB2 ASP 47 HB2 ASP 47 0.695 10.391 -4.245 351 HB3 ASP 47 HB1 ASP 47 1.986 9.279 -3.818 352 H TYR 48 HN TYR 48 -1.919 6.991 -2.854 353 HA TYR 48 HA TYR 48 -3.871 8.478 -4.220 354 HB2 TYR 48 HB2 TYR 48 -3.369 5.908 -4.108 355 HB3 TYR 48 HB1 TYR 48 -4.127 5.996 -2.534 356 HD1 TYR 48 HD1 TYR 48 -4.709 6.845 -6.067 357 HD2 TYR 48 HD2 TYR 48 -6.410 5.682 -2.380 358 HE1 TYR 48 HE1 TYR 48 -6.841 6.522 -7.196 359 HE2 TYR 48 HE2 TYR 48 -8.590 5.352 -3.471 360 HH TYR 48 HH TYR 48 -8.929 5.238 -6.848 361 H ASP 49 HN ASP 49 -5.920 8.341 -2.712 362 HA ASP 49 HA ASP 49 -5.154 9.843 -0.312 363 HB2 ASP 49 HB2 ASP 49 -6.750 10.865 -2.210 364 HB3 ASP 49 HB1 ASP 49 -7.903 9.821 -1.438 365 H GLN 50 HN GLN 50 -5.637 8.988 1.513 366 HA GLN 50 HA GLN 50 -6.551 6.390 1.906 367 HB2 GLN 50 HB2 GLN 50 -6.114 8.712 3.665 368 HB3 GLN 50 HB1 GLN 50 -7.189 7.467 4.275 369 HG2 GLN 50 HG2 GLN 50 -4.360 7.043 3.349 370 HG3 GLN 50 HG1 GLN 50 -4.901 7.126 5.029 371 HE21 GLN 50 HE21 GLN 50 -6.371 5.508 5.768 372 HE22 GLN 50 HE22 GLN 50 -6.399 3.955 5.044 373 H GLN 51 HN GLN 51 -8.294 9.406 1.927 374 HA GLN 51 HA GLN 51 -10.734 8.400 2.960 375 HB2 GLN 51 HB2 GLN 51 -10.267 10.781 1.172 376 HB3 GLN 51 HB1 GLN 51 -11.680 10.500 2.182 377 HG2 GLN 51 HG2 GLN 51 -10.415 10.772 4.164 378 HG3 GLN 51 HG1 GLN 51 -8.897 10.766 3.265 379 HE21 GLN 51 HE21 GLN 51 -8.414 12.505 1.978 380 HE22 GLN 51 HE22 GLN 51 -9.076 14.075 2.267 381 H VAL 52 HN VAL 52 -9.423 8.891 -0.292 382 HA VAL 52 HA VAL 52 -11.835 8.234 -1.623 383 HB VAL 52 HB VAL 52 -8.954 8.355 -2.600 384 HG11 VAL 52 HG11 VAL 52 -10.289 6.968 -4.102 385 HG12 VAL 52 HG12 VAL 52 -9.820 8.511 -4.815 386 HG13 VAL 52 HG13 VAL 52 -11.481 8.278 -4.245 387 HG21 VAL 52 HG21 VAL 52 -9.833 10.476 -1.768 388 HG22 VAL 52 HG22 VAL 52 -11.205 10.331 -2.870 389 HG23 VAL 52 HG23 VAL 52 -9.574 10.510 -3.512 390 H PHE 53 HN PHE 53 -9.056 6.477 -0.476 391 HA PHE 53 HA PHE 53 -9.722 4.005 -1.721 392 HB2 PHE 53 HB2 PHE 53 -7.427 4.369 -1.072 393 HB3 PHE 53 HB1 PHE 53 -7.894 4.648 0.603 394 HD1 PHE 53 HD1 PHE 53 -8.044 2.050 -2.057 395 HD2 PHE 53 HD2 PHE 53 -7.786 2.898 2.107 396 HE1 PHE 53 HE1 PHE 53 -7.757 -0.345 -1.587 397 HE2 PHE 53 HE2 PHE 53 -7.499 0.503 2.578 398 HZ PHE 53 HZ PHE 53 -7.487 -1.115 0.730 399 H GLU 54 HN GLU 54 -10.226 5.375 1.507 400 HA GLU 54 HA GLU 54 -11.442 3.203 2.756 401 HB2 GLU 54 HB2 GLU 54 -11.793 6.171 3.048 402 HB3 GLU 54 HB1 GLU 54 -12.638 5.029 4.078 403 HG2 GLU 54 HG2 GLU 54 -9.658 4.952 3.801 404 HG3 GLU 54 HG1 GLU 54 -10.421 5.974 5.004 405 H ARG 55 HN ARG 55 -12.814 5.779 0.867 406 HA ARG 55 HA ARG 55 -15.510 4.966 1.035 407 HB2 ARG 55 HB2 ARG 55 -14.026 6.679 -0.919 408 HB3 ARG 55 HB1 ARG 55 -15.789 6.521 -0.915 409 HG2 ARG 55 HG2 ARG 55 -15.977 7.553 1.181 410 HG3 ARG 55 HG1 ARG 55 -14.267 7.312 1.537 411 HD2 ARG 55 HD2 ARG 55 -13.685 8.837 -0.201 412 HD3 ARG 55 HD1 ARG 55 -15.403 9.177 -0.539 413 HE ARG 55 HE ARG 55 -14.613 9.551 2.180 414 HH11 ARG 55 HH11 ARG 55 -14.710 11.123 -1.000 415 HH12 ARG 55 HH12 ARG 55 -14.680 12.701 -0.358 416 HH21 ARG 55 HH21 ARG 55 -14.458 11.790 3.039 417 HH22 ARG 55 HH22 ARG 55 -14.526 13.081 1.930 418 H HIS 56 HN HIS 56 -12.916 4.130 -1.168 419 HA HIS 56 HA HIS 56 -14.473 2.684 -3.024 420 HB2 HIS 56 HB2 HIS 56 -12.224 3.274 -3.668 421 HB3 HIS 56 HB1 HIS 56 -11.551 2.502 -2.245 422 HD1 HIS 56 HD1 HIS 56 -13.137 1.569 -5.597 423 HD2 HIS 56 HD2 HIS 56 -10.802 -0.072 -2.579 424 HE1 HIS 56 HE1 HIS 56 -12.346 -0.695 -6.454 425 H VAL 57 HN VAL 57 -12.812 1.777 -0.080 426 HA VAL 57 HA VAL 57 -13.363 -0.983 -0.220 427 HB VAL 57 HB VAL 57 -12.786 0.806 2.151 428 HG11 VAL 57 HG11 VAL 57 -13.871 -1.242 2.921 429 HG12 VAL 57 HG12 VAL 57 -12.163 -1.250 3.368 430 HG13 VAL 57 HG13 VAL 57 -12.724 -2.213 1.999 431 HG21 VAL 57 HG21 VAL 57 -10.514 -0.122 1.980 432 HG22 VAL 57 HG22 VAL 57 -11.011 0.746 0.525 433 HG23 VAL 57 HG23 VAL 57 -11.023 -1.016 0.545 434 H GLN 58 HN GLN 58 -14.974 1.765 1.145 435 HA GLN 58 HA GLN 58 -17.025 0.540 2.501 436 HB2 GLN 58 HB2 GLN 58 -16.768 3.188 1.212 437 HB3 GLN 58 HB1 GLN 58 -18.294 2.741 1.996 438 HG2 GLN 58 HG2 GLN 58 -15.557 2.907 3.248 439 HG3 GLN 58 HG1 GLN 58 -16.907 4.014 3.515 440 HE21 GLN 58 HE21 GLN 58 -15.684 0.814 4.101 441 HE22 GLN 58 HE22 GLN 58 -16.744 0.436 5.402 442 H THR 59 HN THR 59 -16.833 1.299 -0.885 443 HA THR 59 HA THR 59 -19.560 0.715 -1.393 444 HB THR 59 HB THR 59 -19.005 0.707 -3.805 445 HG1 THR 59 HG1 THR 59 -16.312 0.690 -2.841 446 HG21 THR 59 HG21 THR 59 -18.202 3.019 -3.940 447 HG22 THR 59 HG22 THR 59 -17.699 2.917 -2.246 448 HG23 THR 59 HG23 THR 59 -19.407 2.815 -2.662 449 H HIS 60 HN HIS 60 -16.883 -1.285 -0.869 450 HA HIS 60 HA HIS 60 -18.048 -3.568 -2.196 451 HB2 HIS 60 HB2 HIS 60 -15.666 -3.342 -0.330 452 HB3 HIS 60 HB1 HIS 60 -16.183 -4.854 -1.076 453 HD1 HIS 60 HD1 HIS 60 -15.082 -5.357 -3.329 454 HD2 HIS 60 HD2 HIS 60 -14.965 -1.325 -2.336 455 HE1 HIS 60 HE1 HIS 60 -13.488 -4.204 -4.999 456 H PHE 61 HN PHE 61 -18.031 -2.079 0.933 457 HA PHE 61 HA PHE 61 -19.398 -4.353 2.135 458 HB2 PHE 61 HB2 PHE 61 -18.471 -1.712 3.236 459 HB3 PHE 61 HB1 PHE 61 -19.451 -2.825 4.176 460 HD1 PHE 61 HD2 PHE 61 -18.542 -5.099 4.646 461 HD2 PHE 61 HD1 PHE 61 -16.197 -1.976 3.044 462 HE1 PHE 61 HE2 PHE 61 -16.517 -6.292 5.365 463 HE2 PHE 61 HE1 PHE 61 -14.129 -3.155 3.765 464 HZ PHE 61 HZ PHE 61 -14.302 -5.314 4.925 465 H ASP 62 HN ASP 62 -20.075 -1.344 0.643 466 HA ASP 62 HA ASP 62 -22.754 -1.176 1.734 467 HB2 ASP 62 HB2 ASP 62 -21.463 0.882 1.548 468 HB3 ASP 62 HB1 ASP 62 -21.149 0.538 -0.131 469 H GLN 63 HN GLN 63 -21.512 -0.832 -1.391 470 HA GLN 63 HA GLN 63 -21.962 -1.529 -3.411 471 HB2 GLN 63 HB2 GLN 63 -21.604 -3.719 -2.369 472 HB3 GLN 63 HB1 GLN 63 -23.322 -3.847 -2.042 473 HG2 GLN 63 HG2 GLN 63 -22.743 -5.179 -3.898 474 HG3 GLN 63 HG1 GLN 63 -23.748 -3.815 -4.432 475 HE21 GLN 63 HE21 GLN 63 -22.827 -2.239 -5.712 476 HE22 GLN 63 HE22 GLN 63 -21.297 -2.411 -6.490 477 H ASN 64 HN ASN 64 -24.221 -0.090 -1.676 478 HA ASN 64 HA ASN 64 -26.179 -0.038 -3.807 479 HB2 ASN 64 HB2 ASN 64 -28.147 -0.845 -2.514 480 HB3 ASN 64 HB1 ASN 64 -26.979 -2.092 -2.914 481 HD21 ASN 64 HD21 ASN 64 -27.855 -3.375 -1.253 482 HD22 ASN 64 HD22 ASN 64 -27.493 -3.077 0.411 483 H VAL 65 HN VAL 65 -24.956 1.429 -1.024 484 HA VAL 65 HA VAL 65 -25.295 3.294 0.072 485 HB VAL 65 HB VAL 65 -27.183 4.158 -2.185 486 HG11 VAL 65 HG11 VAL 65 -27.257 5.650 -0.221 487 HG12 VAL 65 HG12 VAL 65 -26.523 6.453 -1.610 488 HG13 VAL 65 HG13 VAL 65 -25.506 5.841 -0.306 489 HG21 VAL 65 HG21 VAL 65 -25.027 3.419 -3.069 490 HG22 VAL 65 HG22 VAL 65 -24.198 4.529 -1.977 491 HG23 VAL 65 HG23 VAL 65 -25.235 5.161 -3.254 492 H LEU 66 HN LEU 66 -27.089 0.967 0.334 493 HA LEU 66 HA LEU 66 -29.293 2.270 1.738 494 HB2 LEU 66 HB2 LEU 66 -30.002 0.622 0.050 495 HB3 LEU 66 HB1 LEU 66 -28.997 -0.592 0.807 496 HG LEU 66 HG LEU 66 -30.426 -0.457 2.834 497 HD11 LEU 66 HD11 LEU 66 -32.609 0.629 2.677 498 HD12 LEU 66 HD12 LEU 66 -32.151 1.317 1.116 499 HD13 LEU 66 HD13 LEU 66 -31.285 1.788 2.578 500 HD21 LEU 66 HD21 LEU 66 -30.786 -2.181 1.144 501 HD22 LEU 66 HD22 LEU 66 -31.882 -1.106 0.277 502 HD23 LEU 66 HD23 LEU 66 -32.302 -1.684 1.891 503 H ASN 67 HN ASN 67 -28.005 2.827 3.454 504 HA ASN 67 HA ASN 67 -26.706 0.659 4.952 505 HB2 ASN 67 HB2 ASN 67 -25.744 3.058 4.463 506 HB3 ASN 67 HB1 ASN 67 -26.767 3.544 5.799 507 HD21 ASN 67 HD21 ASN 67 -26.289 1.089 7.373 508 HD22 ASN 67 HD22 ASN 67 -24.644 1.183 7.896 509 H PHE 68 HN PHE 68 -29.599 2.200 4.729 510 HA PHE 68 HA PHE 68 -30.435 2.262 7.462 511 HB2 PHE 68 HB2 PHE 68 -32.137 2.217 4.947 512 HB3 PHE 68 HB1 PHE 68 -32.663 2.708 6.550 513 HD1 PHE 68 HD1 PHE 68 -31.883 4.836 7.507 514 HD2 PHE 68 HD2 PHE 68 -30.905 3.693 3.527 515 HE1 PHE 68 HE1 PHE 68 -31.250 7.158 6.991 516 HE2 PHE 68 HE2 PHE 68 -30.273 6.009 3.011 517 HZ PHE 68 HZ PHE 68 -30.446 7.746 4.745 518 H ASP 69 HN ASP 69 -31.621 0.334 4.728 519 HA ASP 69 HA ASP 69 -32.290 -1.767 4.446 520 HB2 ASP 69 HB2 ASP 69 -29.960 -2.297 4.765 521 HB3 ASP 69 HB1 ASP 69 -30.152 -2.287 6.509 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 26.633 1.406 -4.577 2 H2 GLY 1 HT2 GLY 1 27.687 1.071 -5.832 3 H3 GLY 1 HT3 GLY 1 26.960 2.597 -5.738 4 HA2 GLY 1 HA1 GLY 1 29.267 2.664 -5.063 5 HA3 GLY 1 HA2 GLY 1 28.194 3.021 -3.710 6 HA PRO 2 HA PRO 2 30.550 -0.212 -1.600 7 HB2 PRO 2 HB2 PRO 2 28.231 0.013 0.264 8 HB3 PRO 2 HB1 PRO 2 29.963 0.075 0.622 9 HG2 PRO 2 HG2 PRO 2 28.561 2.306 0.665 10 HG3 PRO 2 HG1 PRO 2 30.159 2.291 -0.097 11 HD2 PRO 2 HD2 PRO 2 27.461 2.199 -1.382 12 HD3 PRO 2 HD1 PRO 2 28.896 3.153 -1.819 13 H HIS 3 HN HIS 3 27.140 -0.191 -2.218 14 HA HIS 3 HA HIS 3 27.195 -3.051 -2.813 15 HB2 HIS 3 HB2 HIS 3 25.009 -1.463 -1.451 16 HB3 HIS 3 HB1 HIS 3 24.722 -3.016 -2.216 17 HD1 HIS 3 HD1 HIS 3 25.154 -5.043 -0.821 18 HD2 HIS 3 HD2 HIS 3 26.750 -1.599 0.847 19 HE1 HIS 3 HE1 HIS 3 25.892 -5.671 1.517 20 H MET 4 HN MET 4 25.669 -3.553 -4.565 21 HA MET 4 HA MET 4 25.364 -1.225 -6.272 22 HB2 MET 4 HB2 MET 4 26.411 -3.172 -7.319 23 HB3 MET 4 HB1 MET 4 24.992 -4.153 -6.966 24 HG2 MET 4 HG2 MET 4 25.068 -3.388 -9.301 25 HG3 MET 4 HG1 MET 4 23.643 -2.793 -8.436 26 HE1 MET 4 HE1 MET 4 23.059 -0.878 -9.998 27 HE2 MET 4 HE2 MET 4 24.276 -1.537 -11.100 28 HE3 MET 4 HE3 MET 4 24.238 0.198 -10.755 29 H ASP 5 HN ASP 5 23.880 -0.489 -4.735 30 HA ASP 5 HA ASP 5 21.336 -0.256 -5.630 31 HB2 ASP 5 HB2 ASP 5 20.983 -2.658 -4.939 32 HB3 ASP 5 HB1 ASP 5 21.392 -2.199 -3.289 33 H VAL 6 HN VAL 6 20.166 1.095 -4.281 34 HA VAL 6 HA VAL 6 20.915 1.841 -1.631 35 HB VAL 6 HB VAL 6 22.695 2.907 -3.112 36 HG11 VAL 6 HG11 VAL 6 20.394 4.519 -4.165 37 HG12 VAL 6 HG12 VAL 6 21.430 3.416 -5.063 38 HG13 VAL 6 HG13 VAL 6 22.095 4.917 -4.412 39 HG21 VAL 6 HG21 VAL 6 22.602 5.142 -2.032 40 HG22 VAL 6 HG22 VAL 6 22.285 3.825 -0.904 41 HG23 VAL 6 HG23 VAL 6 20.949 4.796 -1.527 42 H HIS 7 HN HIS 7 18.783 0.828 -3.188 43 HA HIS 7 HA HIS 7 17.137 3.183 -3.248 44 HB2 HIS 7 HB2 HIS 7 16.817 0.693 -4.905 45 HB3 HIS 7 HB1 HIS 7 15.708 2.065 -4.890 46 HD1 HIS 7 HD1 HIS 7 18.387 0.759 -6.842 47 HD2 HIS 7 HD2 HIS 7 17.289 4.561 -5.578 48 HE1 HIS 7 HE1 HIS 7 19.623 2.377 -8.329 49 H LYS 8 HN LYS 8 17.652 0.953 -1.189 50 HA LYS 8 HA LYS 8 14.972 -0.011 -1.016 51 HB2 LYS 8 HB2 LYS 8 17.413 -0.957 0.462 52 HB3 LYS 8 HB1 LYS 8 15.775 -1.537 0.792 53 HG2 LYS 8 HG2 LYS 8 15.573 -2.201 -1.576 54 HG3 LYS 8 HG1 LYS 8 17.261 -1.756 -1.808 55 HD2 LYS 8 HD2 LYS 8 17.906 -3.402 -0.118 56 HD3 LYS 8 HD1 LYS 8 16.193 -3.818 0.074 57 HE2 LYS 8 HE2 LYS 8 17.276 -5.443 -1.370 58 HE3 LYS 8 HE1 LYS 8 16.091 -4.509 -2.273 59 HZ1 LYS 8 HZ1 LYS 8 19.050 -4.227 -2.357 60 HZ2 LYS 8 HZ2 LYS 8 18.043 -3.092 -3.008 61 HZ3 LYS 8 HZ3 LYS 8 18.027 -4.680 -3.620 62 H LYS 9 HN LYS 9 14.053 1.586 -0.633 63 HA LYS 9 HA LYS 9 13.820 2.642 2.110 64 HB2 LYS 9 HB2 LYS 9 13.577 4.043 -0.553 65 HB3 LYS 9 HB1 LYS 9 12.951 4.671 0.948 66 HG2 LYS 9 HG2 LYS 9 15.082 5.176 1.735 67 HG3 LYS 9 HG1 LYS 9 15.866 4.131 0.532 68 HD2 LYS 9 HD2 LYS 9 15.348 5.566 -1.236 69 HD3 LYS 9 HD1 LYS 9 14.114 6.410 -0.307 70 HE2 LYS 9 HE2 LYS 9 17.012 6.520 0.430 71 HE3 LYS 9 HE1 LYS 9 16.312 7.600 -0.771 72 HZ1 LYS 9 HZ1 LYS 9 16.293 8.654 1.351 73 HZ2 LYS 9 HZ2 LYS 9 15.540 7.351 2.083 74 HZ3 LYS 9 HZ3 LYS 9 14.688 8.297 0.962 75 H CYS 10 HN CYS 10 11.787 2.528 2.678 76 HA CYS 10 HA CYS 10 9.759 1.348 1.112 77 HB2 CYS 10 HB2 CYS 10 9.733 1.660 3.548 78 HB3 CYS 10 HB1 CYS 10 9.655 3.382 3.315 79 HA PRO 11 HA PRO 11 9.745 4.965 -1.618 80 HB2 PRO 11 HB2 PRO 11 7.520 4.199 -3.094 81 HB3 PRO 11 HB1 PRO 11 9.184 3.752 -3.457 82 HG2 PRO 11 HG2 PRO 11 7.036 2.151 -2.170 83 HG3 PRO 11 HG1 PRO 11 8.397 1.631 -3.168 84 HD2 PRO 11 HD2 PRO 11 8.273 1.345 -0.454 85 HD3 PRO 11 HD1 PRO 11 9.787 1.438 -1.372 86 H LEU 12 HN LEU 12 7.442 4.035 0.586 87 HA LEU 12 HA LEU 12 5.715 6.337 0.060 88 HB2 LEU 12 HB2 LEU 12 5.197 4.188 2.093 89 HB3 LEU 12 HB1 LEU 12 4.058 5.335 1.421 90 HG LEU 12 HG LEU 12 3.444 3.457 0.431 91 HD11 LEU 12 HD11 LEU 12 5.431 4.570 -1.535 92 HD12 LEU 12 HD12 LEU 12 3.739 5.043 -1.345 93 HD13 LEU 12 HD13 LEU 12 4.155 3.430 -1.940 94 HD21 LEU 12 HD21 LEU 12 6.297 2.575 0.042 95 HD22 LEU 12 HD22 LEU 12 4.857 1.695 -0.487 96 HD23 LEU 12 HD23 LEU 12 5.142 1.960 1.231 97 H CYS 13 HN CYS 13 7.051 4.765 3.028 98 HA CYS 13 HA CYS 13 6.849 7.393 4.315 99 HB2 CYS 13 HB2 CYS 13 7.029 6.300 6.407 100 HB3 CYS 13 HB1 CYS 13 5.952 5.334 5.391 101 H GLU 14 HN GLU 14 9.075 5.512 2.839 102 HA GLU 14 HA GLU 14 11.223 5.448 2.539 103 HB2 GLU 14 HB2 GLU 14 11.090 8.276 3.489 104 HB3 GLU 14 HB1 GLU 14 12.604 7.532 3.002 105 HG2 GLU 14 HG2 GLU 14 11.521 6.964 0.823 106 HG3 GLU 14 HG1 GLU 14 10.156 7.964 1.331 107 H LEU 15 HN LEU 15 10.358 4.285 4.951 108 HA LEU 15 HA LEU 15 12.459 4.498 6.819 109 HB2 LEU 15 HB2 LEU 15 10.369 3.078 7.096 110 HB3 LEU 15 HB1 LEU 15 11.057 1.952 5.942 111 HG LEU 15 HG LEU 15 13.003 1.664 7.512 112 HD11 LEU 15 HD11 LEU 15 12.699 2.282 9.821 113 HD12 LEU 15 HD12 LEU 15 11.183 3.087 9.411 114 HD13 LEU 15 HD13 LEU 15 12.713 3.718 8.787 115 HD21 LEU 15 HD21 LEU 15 11.831 0.187 9.022 116 HD22 LEU 15 HD22 LEU 15 11.227 0.032 7.369 117 HD23 LEU 15 HD23 LEU 15 10.295 0.932 8.575 118 H MET 16 HN MET 16 14.602 3.737 6.656 119 HA MET 16 HA MET 16 15.394 3.059 3.975 120 HB2 MET 16 HB2 MET 16 16.486 4.908 5.164 121 HB3 MET 16 HB1 MET 16 17.001 3.791 6.419 122 HG2 MET 16 HG2 MET 16 18.298 2.550 4.798 123 HG3 MET 16 HG1 MET 16 17.707 3.657 3.552 124 HE1 MET 16 HE1 MET 16 19.493 7.016 4.466 125 HE2 MET 16 HE2 MET 16 17.881 6.517 4.953 126 HE3 MET 16 HE3 MET 16 18.452 6.178 3.316 127 H PHE 17 HN PHE 17 16.369 1.102 3.423 128 HA PHE 17 HA PHE 17 16.721 -0.794 5.619 129 HB2 PHE 17 HB2 PHE 17 15.767 -1.333 2.794 130 HB3 PHE 17 HB1 PHE 17 16.014 -2.550 4.035 131 HD1 PHE 17 HD1 PHE 17 14.558 -2.338 6.162 132 HD2 PHE 17 HD2 PHE 17 13.701 -0.357 2.498 133 HE1 PHE 17 HE1 PHE 17 12.208 -2.077 6.855 134 HE2 PHE 17 HE2 PHE 17 11.350 -0.099 3.184 135 HZ PHE 17 HZ PHE 17 10.604 -0.967 5.360 136 HA PRO 18 HA PRO 18 20.866 -1.324 3.951 137 HB2 PRO 18 HB2 PRO 18 20.287 -4.253 3.924 138 HB3 PRO 18 HB1 PRO 18 21.649 -3.395 4.648 139 HG2 PRO 18 HG2 PRO 18 19.719 -4.353 6.178 140 HG3 PRO 18 HG1 PRO 18 20.437 -2.766 6.511 141 HD2 PRO 18 HD2 PRO 18 17.804 -3.425 5.264 142 HD3 PRO 18 HD1 PRO 18 18.228 -2.123 6.394 143 HA PRO 19 HA PRO 19 20.067 -1.869 -0.460 144 HB2 PRO 19 HB2 PRO 19 22.898 -2.564 -0.787 145 HB3 PRO 19 HB1 PRO 19 22.010 -1.182 -1.436 146 HG2 PRO 19 HG2 PRO 19 23.826 -0.881 0.505 147 HG3 PRO 19 HG1 PRO 19 22.342 0.090 0.462 148 HD2 PRO 19 HD2 PRO 19 22.989 -2.304 2.150 149 HD3 PRO 19 HD1 PRO 19 22.174 -0.786 2.589 150 H ASN 20 HN ASN 20 21.210 -4.370 1.472 151 HA ASN 20 HA ASN 20 20.677 -6.167 -0.735 152 HB2 ASN 20 HB2 ASN 20 22.071 -7.883 0.367 153 HB3 ASN 20 HB1 ASN 20 22.986 -6.410 0.093 154 HD21 ASN 20 HD21 ASN 20 23.397 -8.584 1.989 155 HD22 ASN 20 HD22 ASN 20 23.458 -7.860 3.550 156 H TYR 21 HN TYR 21 18.841 -4.848 1.435 157 HA TYR 21 HA TYR 21 18.023 -6.757 3.189 158 HB2 TYR 21 HB2 TYR 21 17.667 -4.428 3.412 159 HB3 TYR 21 HB1 TYR 21 16.583 -4.375 2.016 160 HD1 TYR 21 HD1 TYR 21 17.139 -5.738 5.286 161 HD2 TYR 21 HD2 TYR 21 14.329 -4.786 2.368 162 HE1 TYR 21 HE1 TYR 21 15.323 -6.217 6.956 163 HE2 TYR 21 HE2 TYR 21 12.444 -5.234 3.955 164 HH TYR 21 HH TYR 21 13.000 -5.555 7.272 165 H ASP 22 HN ASP 22 16.308 -7.819 3.229 166 HA ASP 22 HA ASP 22 15.689 -9.557 1.094 167 HB2 ASP 22 HB2 ASP 22 14.469 -9.187 3.804 168 HB3 ASP 22 HB1 ASP 22 13.882 -10.423 2.710 169 H GLN 23 HN GLN 23 14.708 -9.020 -0.550 170 HA GLN 23 HA GLN 23 12.965 -6.954 -1.030 171 HB2 GLN 23 HB2 GLN 23 13.566 -9.493 -2.398 172 HB3 GLN 23 HB1 GLN 23 12.270 -8.458 -3.007 173 HG2 GLN 23 HG2 GLN 23 15.167 -7.705 -2.629 174 HG3 GLN 23 HG1 GLN 23 14.380 -8.047 -4.171 175 HE21 GLN 23 HE21 GLN 23 12.834 -6.574 -4.952 176 HE22 GLN 23 HE22 GLN 23 12.791 -4.942 -4.397 177 H SER 24 HN SER 24 12.194 -10.282 -0.121 178 HA SER 24 HA SER 24 9.442 -10.069 -0.612 179 HB2 SER 24 HB2 SER 24 10.845 -11.804 1.434 180 HB3 SER 24 HB1 SER 24 9.224 -12.069 0.788 181 HG SER 24 HG SER 24 10.394 -12.054 -1.335 182 H LYS 25 HN LYS 25 11.393 -9.545 2.245 183 HA LYS 25 HA LYS 25 9.304 -8.857 4.029 184 HB2 LYS 25 HB2 LYS 25 12.236 -8.265 4.009 185 HB3 LYS 25 HB1 LYS 25 11.225 -7.921 5.408 186 HG2 LYS 25 HG2 LYS 25 11.846 -10.616 4.193 187 HG3 LYS 25 HG1 LYS 25 12.482 -9.980 5.704 188 HD2 LYS 25 HD2 LYS 25 9.562 -10.600 5.161 189 HD3 LYS 25 HD1 LYS 25 10.678 -11.632 6.046 190 HE2 LYS 25 HE2 LYS 25 10.989 -9.843 7.714 191 HE3 LYS 25 HE1 LYS 25 9.825 -8.848 6.839 192 HZ1 LYS 25 HZ1 LYS 25 8.120 -10.510 7.285 193 HZ2 LYS 25 HZ2 LYS 25 8.822 -10.002 8.728 194 HZ3 LYS 25 HZ3 LYS 25 9.252 -11.484 8.060 195 H PHE 26 HN PHE 26 11.205 -7.098 1.751 196 HA PHE 26 HA PHE 26 10.633 -4.457 2.527 197 HB2 PHE 26 HB2 PHE 26 12.491 -4.949 1.057 198 HB3 PHE 26 HB1 PHE 26 11.421 -5.686 -0.116 199 HD1 PHE 26 HD1 PHE 26 12.087 -2.430 1.550 200 HD2 PHE 26 HD2 PHE 26 10.680 -4.463 -1.914 201 HE1 PHE 26 HE1 PHE 26 11.900 -0.288 0.366 202 HE2 PHE 26 HE2 PHE 26 10.490 -2.325 -3.100 203 HZ PHE 26 HZ PHE 26 11.095 -0.227 -1.963 204 H GLU 27 HN GLU 27 9.214 -6.554 0.049 205 HA GLU 27 HA GLU 27 7.190 -4.783 -0.750 206 HB2 GLU 27 HB2 GLU 27 7.219 -7.784 -0.893 207 HB3 GLU 27 HB1 GLU 27 6.106 -6.735 -1.765 208 HG2 GLU 27 HG2 GLU 27 8.015 -5.739 -2.939 209 HG3 GLU 27 HG1 GLU 27 9.090 -6.859 -2.095 210 H GLU 28 HN GLU 28 7.307 -7.218 1.759 211 HA GLU 28 HA GLU 28 4.571 -7.079 2.702 212 HB2 GLU 28 HB2 GLU 28 7.081 -7.431 4.348 213 HB3 GLU 28 HB1 GLU 28 5.452 -7.880 4.811 214 HG2 GLU 28 HG2 GLU 28 6.922 -9.151 2.531 215 HG3 GLU 28 HG1 GLU 28 7.058 -9.727 4.184 216 H HIS 29 HN HIS 29 7.236 -4.973 3.086 217 HA HIS 29 HA HIS 29 5.675 -3.678 4.976 218 HB2 HIS 29 HB2 HIS 29 8.022 -3.667 5.460 219 HB3 HIS 29 HB1 HIS 29 8.405 -3.012 3.885 220 HD1 HIS 29 HD1 HIS 29 8.034 -2.035 7.361 221 HD2 HIS 29 HD2 HIS 29 7.598 -0.243 3.683 222 HE1 HIS 29 HE1 HIS 29 8.380 0.458 7.764 223 H VAL 30 HN VAL 30 6.639 -3.236 1.659 224 HA VAL 30 HA VAL 30 5.452 -0.627 1.198 225 HB VAL 30 HB VAL 30 5.760 -2.862 -0.847 226 HG11 VAL 30 HG11 VAL 30 5.788 0.132 -1.181 227 HG12 VAL 30 HG12 VAL 30 4.400 -0.900 -1.504 228 HG13 VAL 30 HG13 VAL 30 5.868 -1.064 -2.473 229 HG21 VAL 30 HG21 VAL 30 7.937 -1.902 -1.415 230 HG22 VAL 30 HG22 VAL 30 7.910 -2.513 0.239 231 HG23 VAL 30 HG23 VAL 30 7.795 -0.782 -0.062 232 H GLU 31 HN GLU 31 4.132 -3.890 0.975 233 HA GLU 31 HA GLU 31 1.638 -3.007 0.042 234 HB2 GLU 31 HB2 GLU 31 0.808 -5.232 0.487 235 HB3 GLU 31 HB1 GLU 31 2.490 -5.382 -0.021 236 HG2 GLU 31 HG2 GLU 31 3.216 -5.797 2.153 237 HG3 GLU 31 HG1 GLU 31 1.634 -5.418 2.831 238 H SER 32 HN SER 32 3.062 -3.002 3.190 239 HA SER 32 HA SER 32 0.699 -2.949 4.740 240 HB2 SER 32 HB2 SER 32 2.911 -3.465 5.713 241 HB3 SER 32 HB1 SER 32 3.461 -1.834 5.350 242 HG SER 32 HG SER 32 2.534 -1.156 7.084 243 H HIS 33 HN HIS 33 2.496 -0.587 2.943 244 HA HIS 33 HA HIS 33 0.986 1.623 3.988 245 HB2 HIS 33 HB2 HIS 33 3.021 1.343 1.836 246 HB3 HIS 33 HB1 HIS 33 2.189 2.861 2.173 247 HD1 HIS 33 HD1 HIS 33 3.093 4.189 4.208 248 HD2 HIS 33 HD2 HIS 33 4.554 0.322 4.009 249 HE1 HIS 33 HE1 HIS 33 4.794 3.961 6.084 250 H TRP 34 HN TRP 34 0.786 -0.455 1.097 251 HA TRP 34 HA TRP 34 -1.070 0.991 -0.319 252 HB2 TRP 34 HB2 TRP 34 -0.308 -1.894 0.035 253 HB3 TRP 34 HB1 TRP 34 -1.460 -1.289 -1.208 254 HD1 TRP 34 HD1 TRP 34 1.664 0.749 -0.772 255 HE1 TRP 34 HE1 TRP 34 3.168 0.106 -2.593 256 HE3 TRP 34 HE3 TRP 34 -0.709 -3.145 -2.115 257 HZ2 TRP 34 HZ2 TRP 34 3.424 -2.003 -4.559 258 HZ3 TRP 34 HZ3 TRP 34 0.122 -4.682 -4.067 259 HH2 TRP 34 HH2 TRP 34 2.198 -4.045 -5.229 260 H LYS 35 HN LYS 35 -2.980 1.355 0.146 261 HA LYS 35 HA LYS 35 -4.211 0.528 2.589 262 HB2 LYS 35 HB2 LYS 35 -5.309 2.276 0.389 263 HB3 LYS 35 HB1 LYS 35 -6.043 2.040 1.969 264 HG2 LYS 35 HG2 LYS 35 -3.358 3.316 1.451 265 HG3 LYS 35 HG1 LYS 35 -4.851 4.174 1.830 266 HD2 LYS 35 HD2 LYS 35 -4.948 2.999 3.991 267 HD3 LYS 35 HD1 LYS 35 -3.431 2.187 3.606 268 HE2 LYS 35 HE2 LYS 35 -2.283 4.334 3.526 269 HE3 LYS 35 HE1 LYS 35 -3.800 5.167 3.859 270 HZ1 LYS 35 HZ1 LYS 35 -2.450 3.244 5.677 271 HZ2 LYS 35 HZ2 LYS 35 -3.893 4.049 6.001 272 HZ3 LYS 35 HZ3 LYS 35 -2.458 4.916 5.848 273 H VAL 36 HN VAL 36 -4.833 -1.136 2.865 274 HA VAL 36 HA VAL 36 -6.106 -2.741 0.807 275 HB VAL 36 HB VAL 36 -4.232 -3.658 2.064 276 HG11 VAL 36 HG11 VAL 36 -4.385 -4.300 4.369 277 HG12 VAL 36 HG12 VAL 36 -5.899 -3.379 4.495 278 HG13 VAL 36 HG13 VAL 36 -4.393 -2.558 4.084 279 HG21 VAL 36 HG21 VAL 36 -5.877 -5.239 1.163 280 HG22 VAL 36 HG22 VAL 36 -6.823 -5.107 2.643 281 HG23 VAL 36 HG23 VAL 36 -5.214 -5.834 2.686 282 H CYS 37 HN CYS 37 -8.176 -2.990 0.633 283 HA CYS 37 HA CYS 37 -10.019 -2.157 2.672 284 HB2 CYS 37 HB2 CYS 37 -10.450 -1.931 0.180 285 HB3 CYS 37 HB1 CYS 37 -10.358 -3.660 0.106 286 HA PRO 38 HA PRO 38 -9.432 -6.206 4.580 287 HB2 PRO 38 HB2 PRO 38 -11.931 -5.794 6.011 288 HB3 PRO 38 HB1 PRO 38 -10.294 -5.834 6.655 289 HG2 PRO 38 HG2 PRO 38 -11.877 -3.573 6.462 290 HG3 PRO 38 HG1 PRO 38 -10.123 -3.579 6.648 291 HD2 PRO 38 HD2 PRO 38 -11.756 -3.016 4.243 292 HD3 PRO 38 HD1 PRO 38 -10.091 -2.511 4.650 293 H MET 39 HN MET 39 -12.239 -5.063 3.075 294 HA MET 39 HA MET 39 -13.552 -7.670 2.982 295 HB2 MET 39 HB2 MET 39 -14.451 -4.884 2.496 296 HB3 MET 39 HB1 MET 39 -15.481 -6.282 2.229 297 HG2 MET 39 HG2 MET 39 -15.625 -6.828 4.453 298 HG3 MET 39 HG1 MET 39 -14.104 -6.049 4.864 299 HE1 MET 39 HE1 MET 39 -14.412 -3.167 3.657 300 HE2 MET 39 HE2 MET 39 -13.821 -3.519 5.279 301 HE3 MET 39 HE3 MET 39 -15.094 -2.320 5.047 302 H CYS 40 HN CYS 40 -11.690 -5.665 0.945 303 HA CYS 40 HA CYS 40 -12.711 -7.161 -1.383 304 HB2 CYS 40 HB2 CYS 40 -11.534 -4.527 -1.006 305 HB3 CYS 40 HB1 CYS 40 -11.159 -5.316 -2.580 306 H SER 41 HN SER 41 -10.057 -6.564 0.725 307 HA SER 41 HA SER 41 -8.056 -7.382 1.003 308 HB2 SER 41 HB2 SER 41 -8.906 -9.533 -0.963 309 HB3 SER 41 HB1 SER 41 -7.528 -9.596 0.154 310 HG SER 41 HG SER 41 -9.233 -9.157 1.813 311 H GLU 42 HN GLU 42 -8.702 -5.381 -1.134 312 HA GLU 42 HA GLU 42 -6.513 -5.778 -2.886 313 HB2 GLU 42 HB2 GLU 42 -9.122 -4.328 -3.075 314 HB3 GLU 42 HB1 GLU 42 -7.760 -4.021 -4.141 315 HG2 GLU 42 HG2 GLU 42 -7.758 -6.276 -4.826 316 HG3 GLU 42 HG1 GLU 42 -9.136 -6.671 -3.793 317 H GLN 43 HN GLN 43 -5.300 -4.484 -2.906 318 HA GLN 43 HA GLN 43 -5.030 -2.410 -0.765 319 HB2 GLN 43 HB2 GLN 43 -3.086 -3.966 -2.387 320 HB3 GLN 43 HB1 GLN 43 -2.622 -2.827 -1.084 321 HG2 GLN 43 HG2 GLN 43 -4.005 -4.336 0.410 322 HG3 GLN 43 HG1 GLN 43 -4.088 -5.440 -0.936 323 HE21 GLN 43 HE21 GLN 43 -1.401 -4.922 -1.809 324 HE22 GLN 43 HE22 GLN 43 -0.384 -5.747 -0.692 325 H PHE 44 HN PHE 44 -5.105 -0.501 -1.358 326 HA PHE 44 HA PHE 44 -4.952 0.334 -4.130 327 HB2 PHE 44 HB2 PHE 44 -5.842 1.612 -1.561 328 HB3 PHE 44 HB1 PHE 44 -5.694 2.528 -3.048 329 HD1 PHE 44 HD2 PHE 44 -7.412 -0.373 -1.465 330 HD2 PHE 44 HD1 PHE 44 -7.503 2.483 -4.626 331 HE1 PHE 44 HE2 PHE 44 -9.675 -1.114 -2.072 332 HE2 PHE 44 HE1 PHE 44 -9.747 1.733 -5.238 333 HZ PHE 44 HZ PHE 44 -10.845 -0.062 -3.965 334 HA PRO 45 HA PRO 45 -0.925 1.890 -3.682 335 HB2 PRO 45 HB2 PRO 45 -1.023 4.240 -5.100 336 HB3 PRO 45 HB1 PRO 45 -0.918 2.645 -5.851 337 HG2 PRO 45 HG2 PRO 45 -3.308 4.386 -5.420 338 HG3 PRO 45 HG1 PRO 45 -2.888 3.394 -6.830 339 HD2 PRO 45 HD2 PRO 45 -4.696 2.636 -4.981 340 HD3 PRO 45 HD1 PRO 45 -3.681 1.462 -5.852 341 HA PRO 46 HA PRO 46 -1.108 4.805 -0.215 342 HB2 PRO 46 HB2 PRO 46 1.697 5.339 -1.003 343 HB3 PRO 46 HB1 PRO 46 1.092 4.808 0.567 344 HG2 PRO 46 HG2 PRO 46 2.307 3.029 -0.952 345 HG3 PRO 46 HG1 PRO 46 0.741 2.594 -0.218 346 HD2 PRO 46 HD2 PRO 46 1.340 3.583 -2.978 347 HD3 PRO 46 HD1 PRO 46 0.476 2.109 -2.459 348 H ASP 47 HN ASP 47 -0.741 5.641 -3.368 349 HA ASP 47 HA ASP 47 -0.426 8.512 -2.920 350 HB2 ASP 47 HB2 ASP 47 0.983 7.422 -4.655 351 HB3 ASP 47 HB1 ASP 47 -0.466 6.924 -5.510 352 H TYR 48 HN TYR 48 -2.928 6.303 -2.826 353 HA TYR 48 HA TYR 48 -4.874 7.533 -4.433 354 HB2 TYR 48 HB2 TYR 48 -4.497 5.062 -3.500 355 HB3 TYR 48 HB1 TYR 48 -5.306 5.710 -2.090 356 HD1 TYR 48 HD2 TYR 48 -5.663 5.209 -5.722 357 HD2 TYR 48 HD1 TYR 48 -7.658 5.777 -2.023 358 HE1 TYR 48 HE2 TYR 48 -7.775 4.724 -6.818 359 HE2 TYR 48 HE1 TYR 48 -9.804 5.275 -3.097 360 HH TYR 48 HH TYR 48 -10.741 5.413 -5.490 361 H ASP 49 HN ASP 49 -6.877 7.754 -2.657 362 HA ASP 49 HA ASP 49 -5.912 9.923 -0.977 363 HB2 ASP 49 HB2 ASP 49 -7.532 10.537 -2.897 364 HB3 ASP 49 HB1 ASP 49 -8.671 9.574 -2.004 365 H GLN 50 HN GLN 50 -6.443 9.896 1.028 366 HA GLN 50 HA GLN 50 -7.224 7.561 2.316 367 HB2 GLN 50 HB2 GLN 50 -6.875 10.370 3.226 368 HB3 GLN 50 HB1 GLN 50 -7.646 9.216 4.304 369 HG2 GLN 50 HG2 GLN 50 -5.022 8.602 3.003 370 HG3 GLN 50 HG1 GLN 50 -5.111 9.567 4.471 371 HE21 GLN 50 HE21 GLN 50 -7.463 7.008 3.970 372 HE22 GLN 50 HE22 GLN 50 -6.837 5.946 5.146 373 H GLN 51 HN GLN 51 -9.132 10.349 1.364 374 HA GLN 51 HA GLN 51 -11.392 9.439 2.869 375 HB2 GLN 51 HB2 GLN 51 -11.112 11.626 0.824 376 HB3 GLN 51 HB1 GLN 51 -12.545 11.348 1.815 377 HG2 GLN 51 HG2 GLN 51 -11.264 11.810 3.814 378 HG3 GLN 51 HG1 GLN 51 -9.806 12.023 2.849 379 HE21 GLN 51 HE21 GLN 51 -9.480 14.083 3.467 380 HE22 GLN 51 HE22 GLN 51 -10.505 15.393 2.993 381 H VAL 52 HN VAL 52 -10.230 9.354 -0.470 382 HA VAL 52 HA VAL 52 -12.687 8.394 -1.517 383 HB VAL 52 HB VAL 52 -9.858 8.158 -2.629 384 HG11 VAL 52 HG11 VAL 52 -10.852 7.809 -4.761 385 HG12 VAL 52 HG12 VAL 52 -12.481 7.802 -4.069 386 HG13 VAL 52 HG13 VAL 52 -11.325 6.508 -3.672 387 HG21 VAL 52 HG21 VAL 52 -12.059 10.116 -3.248 388 HG22 VAL 52 HG22 VAL 52 -10.469 10.058 -4.014 389 HG23 VAL 52 HG23 VAL 52 -10.612 10.458 -2.305 390 H PHE 53 HN PHE 53 -9.910 6.934 -0.053 391 HA PHE 53 HA PHE 53 -10.627 4.235 -0.606 392 HB2 PHE 53 HB2 PHE 53 -8.316 4.741 -0.109 393 HB3 PHE 53 HB1 PHE 53 -8.760 5.453 1.438 394 HD1 PHE 53 HD1 PHE 53 -9.111 2.219 -0.394 395 HD2 PHE 53 HD2 PHE 53 -8.424 4.190 3.316 396 HE1 PHE 53 HE1 PHE 53 -8.775 0.046 0.700 397 HE2 PHE 53 HE2 PHE 53 -8.087 2.023 4.413 398 HZ PHE 53 HZ PHE 53 -8.264 -0.053 3.106 399 H GLU 54 HN GLU 54 -11.043 6.409 2.162 400 HA GLU 54 HA GLU 54 -12.275 4.618 3.914 401 HB2 GLU 54 HB2 GLU 54 -12.460 7.580 3.581 402 HB3 GLU 54 HB1 GLU 54 -13.343 6.732 4.838 403 HG2 GLU 54 HG2 GLU 54 -10.403 6.325 4.529 404 HG3 GLU 54 HG1 GLU 54 -10.999 7.646 5.511 405 H ARG 55 HN ARG 55 -13.660 6.758 1.545 406 HA ARG 55 HA ARG 55 -16.370 6.202 2.058 407 HB2 ARG 55 HB2 ARG 55 -14.915 7.126 -0.386 408 HB3 ARG 55 HB1 ARG 55 -16.678 7.034 -0.315 409 HG2 ARG 55 HG2 ARG 55 -16.796 8.718 1.317 410 HG3 ARG 55 HG1 ARG 55 -15.078 8.574 1.703 411 HD2 ARG 55 HD2 ARG 55 -15.508 10.568 0.416 412 HD3 ARG 55 HD1 ARG 55 -14.490 9.421 -0.438 413 HE ARG 55 HE ARG 55 -17.250 9.072 -1.079 414 HH11 ARG 55 HH11 ARG 55 -14.455 11.131 -1.968 415 HH12 ARG 55 HH12 ARG 55 -15.059 11.440 -3.513 416 HH21 ARG 55 HH21 ARG 55 -18.009 9.553 -3.209 417 HH22 ARG 55 HH22 ARG 55 -17.097 10.540 -4.250 418 H HIS 56 HN HIS 56 -14.025 4.660 -0.059 419 HA HIS 56 HA HIS 56 -15.708 2.803 -1.302 420 HB2 HIS 56 HB2 HIS 56 -13.509 3.124 -2.201 421 HB3 HIS 56 HB1 HIS 56 -12.749 2.790 -0.656 422 HD1 HIS 56 HD1 HIS 56 -14.380 0.992 -3.581 423 HD2 HIS 56 HD2 HIS 56 -12.082 0.192 -0.216 424 HE1 HIS 56 HE1 HIS 56 -13.720 -1.454 -3.735 425 H VAL 57 HN VAL 57 -13.819 2.605 1.674 426 HA VAL 57 HA VAL 57 -14.444 -0.109 2.238 427 HB VAL 57 HB VAL 57 -13.447 2.101 4.064 428 HG11 VAL 57 HG11 VAL 57 -12.692 0.326 5.572 429 HG12 VAL 57 HG12 VAL 57 -13.429 -0.883 4.522 430 HG13 VAL 57 HG13 VAL 57 -14.442 0.288 5.369 431 HG21 VAL 57 HG21 VAL 57 -11.944 1.638 2.229 432 HG22 VAL 57 HG22 VAL 57 -11.970 -0.082 2.615 433 HG23 VAL 57 HG23 VAL 57 -11.253 1.065 3.747 434 H GLN 58 HN GLN 58 -15.821 2.944 3.092 435 HA GLN 58 HA GLN 58 -17.603 2.033 5.009 436 HB2 GLN 58 HB2 GLN 58 -17.464 4.453 3.336 437 HB3 GLN 58 HB1 GLN 58 -18.857 4.221 4.415 438 HG2 GLN 58 HG2 GLN 58 -15.936 4.407 5.142 439 HG3 GLN 58 HG1 GLN 58 -17.193 5.590 5.498 440 HE21 GLN 58 HE21 GLN 58 -15.853 2.501 6.332 441 HE22 GLN 58 HE22 GLN 58 -16.676 2.330 7.835 442 H THR 59 HN THR 59 -17.831 1.789 1.565 443 HA THR 59 HA THR 59 -20.686 1.532 1.546 444 HB THR 59 HB THR 59 -20.486 0.736 -0.774 445 HG1 THR 59 HG1 THR 59 -17.633 0.824 -0.421 446 HG21 THR 59 HG21 THR 59 -19.350 2.686 -1.754 447 HG22 THR 59 HG22 THR 59 -18.622 3.011 -0.170 448 HG23 THR 59 HG23 THR 59 -20.369 3.132 -0.377 449 H HIS 60 HN HIS 60 -17.984 -0.539 1.955 450 HA HIS 60 HA HIS 60 -19.309 -3.033 1.626 451 HB2 HIS 60 HB2 HIS 60 -16.761 -2.335 3.093 452 HB3 HIS 60 HB1 HIS 60 -17.311 -3.972 2.791 453 HD1 HIS 60 HD1 HIS 60 -16.450 -5.010 0.677 454 HD2 HIS 60 HD2 HIS 60 -16.236 -0.869 0.627 455 HE1 HIS 60 HE1 HIS 60 -14.977 -4.351 -1.349 456 H PHE 61 HN PHE 61 -18.750 -0.838 4.290 457 HA PHE 61 HA PHE 61 -19.939 -2.661 6.204 458 HB2 PHE 61 HB2 PHE 61 -19.009 0.195 6.446 459 HB3 PHE 61 HB1 PHE 61 -19.901 -0.599 7.730 460 HD1 PHE 61 HD2 PHE 61 -18.922 -2.609 8.824 461 HD2 PHE 61 HD1 PHE 61 -16.727 -0.164 6.144 462 HE1 PHE 61 HE2 PHE 61 -16.833 -3.532 9.726 463 HE2 PHE 61 HE1 PHE 61 -14.615 -1.084 7.045 464 HZ PHE 61 HZ PHE 61 -14.673 -2.767 8.837 465 H ASP 62 HN ASP 62 -20.864 -0.023 4.186 466 HA ASP 62 HA ASP 62 -23.309 0.656 5.464 467 HB2 ASP 62 HB2 ASP 62 -22.240 2.166 3.854 468 HB3 ASP 62 HB1 ASP 62 -22.442 0.958 2.594 469 H GLN 63 HN GLN 63 -22.566 -1.105 2.720 470 HA GLN 63 HA GLN 63 -23.301 -2.851 1.672 471 HB2 GLN 63 HB2 GLN 63 -23.115 -3.919 3.878 472 HB3 GLN 63 HB1 GLN 63 -24.807 -3.577 4.189 473 HG2 GLN 63 HG2 GLN 63 -25.444 -5.040 2.332 474 HG3 GLN 63 HG1 GLN 63 -23.751 -5.365 2.002 475 HE21 GLN 63 HE21 GLN 63 -23.063 -5.469 4.849 476 HE22 GLN 63 HE22 GLN 63 -23.665 -6.977 5.406 477 H ASN 64 HN ASN 64 -25.292 -0.367 2.300 478 HA ASN 64 HA ASN 64 -27.666 -1.511 1.054 479 HB2 ASN 64 HB2 ASN 64 -28.083 0.029 2.909 480 HB3 ASN 64 HB1 ASN 64 -27.090 1.262 2.136 481 HD21 ASN 64 HD21 ASN 64 -30.135 -0.420 2.084 482 HD22 ASN 64 HD22 ASN 64 -30.935 0.678 1.032 483 H VAL 65 HN VAL 65 -25.160 0.814 0.573 484 HA VAL 65 HA VAL 65 -25.704 0.480 -2.238 485 HB VAL 65 HB VAL 65 -26.494 2.664 -1.668 486 HG11 VAL 65 HG11 VAL 65 -25.105 4.412 -0.688 487 HG12 VAL 65 HG12 VAL 65 -23.777 3.248 -0.540 488 HG13 VAL 65 HG13 VAL 65 -25.277 2.987 0.349 489 HG21 VAL 65 HG21 VAL 65 -25.153 4.084 -3.176 490 HG22 VAL 65 HG22 VAL 65 -25.425 2.472 -3.839 491 HG23 VAL 65 HG23 VAL 65 -23.861 2.880 -3.133 492 H LEU 66 HN LEU 66 -24.245 -1.256 -1.898 493 HA LEU 66 HA LEU 66 -21.498 -0.365 -2.241 494 HB2 LEU 66 HB2 LEU 66 -20.888 -2.806 -2.201 495 HB3 LEU 66 HB1 LEU 66 -21.551 -2.181 -0.713 496 HG LEU 66 HG LEU 66 -23.743 -3.280 -1.395 497 HD11 LEU 66 HD11 LEU 66 -23.604 -5.159 -2.947 498 HD12 LEU 66 HD12 LEU 66 -21.948 -4.712 -3.358 499 HD13 LEU 66 HD13 LEU 66 -23.279 -3.631 -3.767 500 HD21 LEU 66 HD21 LEU 66 -22.271 -4.091 0.308 501 HD22 LEU 66 HD22 LEU 66 -21.315 -4.947 -0.900 502 HD23 LEU 66 HD23 LEU 66 -22.984 -5.450 -0.575 503 H ASN 67 HN ASN 67 -24.226 -1.041 -3.796 504 HA ASN 67 HA ASN 67 -23.254 -1.837 -6.373 505 HB2 ASN 67 HB2 ASN 67 -25.526 -2.398 -5.678 506 HB3 ASN 67 HB1 ASN 67 -25.882 -0.711 -5.367 507 HD21 ASN 67 HD21 ASN 67 -24.205 -2.028 -8.200 508 HD22 ASN 67 HD22 ASN 67 -25.413 -1.537 -9.320 509 H PHE 68 HN PHE 68 -21.978 -0.350 -7.371 510 HA PHE 68 HA PHE 68 -22.318 2.447 -6.806 511 HB2 PHE 68 HB2 PHE 68 -20.424 1.062 -8.714 512 HB3 PHE 68 HB1 PHE 68 -20.384 2.770 -8.301 513 HD1 PHE 68 HD2 PHE 68 -19.903 3.414 -5.898 514 HD2 PHE 68 HD1 PHE 68 -19.318 -0.529 -7.399 515 HE1 PHE 68 HE2 PHE 68 -18.410 2.919 -4.007 516 HE2 PHE 68 HE1 PHE 68 -17.828 -1.033 -5.510 517 HZ PHE 68 HZ PHE 68 -17.368 0.693 -3.810 518 H ASP 69 HN ASP 69 -24.137 3.211 -7.649 519 HA ASP 69 HA ASP 69 -24.723 2.661 -10.444 520 HB2 ASP 69 HB2 ASP 69 -26.948 3.563 -10.099 521 HB3 ASP 69 HB1 ASP 69 -26.617 2.424 -8.803 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 24.487 -4.019 -9.823 2 H2 GLY 1 HT2 GLY 1 25.364 -3.021 -8.758 3 H3 GLY 1 HT3 GLY 1 25.651 -2.926 -10.402 4 HA2 GLY 1 HA1 GLY 1 23.463 -2.050 -10.782 5 HA3 GLY 1 HA2 GLY 1 23.136 -2.179 -9.053 6 HA PRO 2 HA PRO 2 25.084 1.997 -10.163 7 HB2 PRO 2 HB2 PRO 2 22.716 3.088 -8.798 8 HB3 PRO 2 HB1 PRO 2 23.380 3.509 -10.379 9 HG2 PRO 2 HG2 PRO 2 21.073 2.152 -10.113 10 HG3 PRO 2 HG1 PRO 2 22.183 1.879 -11.466 11 HD2 PRO 2 HD2 PRO 2 21.766 0.248 -8.995 12 HD3 PRO 2 HD1 PRO 2 22.054 -0.285 -10.664 13 H HIS 3 HN HIS 3 26.623 2.308 -8.747 14 HA HIS 3 HA HIS 3 27.777 2.834 -6.904 15 HB2 HIS 3 HB2 HIS 3 25.062 3.574 -5.782 16 HB3 HIS 3 HB1 HIS 3 26.544 3.777 -4.863 17 HD1 HIS 3 HD1 HIS 3 26.966 6.262 -4.844 18 HD2 HIS 3 HD2 HIS 3 25.777 4.887 -8.576 19 HE1 HIS 3 HE1 HIS 3 27.069 8.251 -6.387 20 H MET 4 HN MET 4 25.036 1.624 -5.041 21 HA MET 4 HA MET 4 26.039 -0.935 -4.590 22 HB2 MET 4 HB2 MET 4 26.189 1.178 -2.403 23 HB3 MET 4 HB1 MET 4 26.047 -0.535 -2.069 24 HG2 MET 4 HG2 MET 4 28.210 -0.901 -3.184 25 HG3 MET 4 HG1 MET 4 28.344 0.836 -3.458 26 HE1 MET 4 HE1 MET 4 28.291 -1.107 0.737 27 HE2 MET 4 HE2 MET 4 28.093 -2.010 -0.767 28 HE3 MET 4 HE3 MET 4 26.838 -0.895 -0.233 29 H ASP 5 HN ASP 5 24.363 -1.971 -3.444 30 HA ASP 5 HA ASP 5 21.869 -0.587 -3.868 31 HB2 ASP 5 HB2 ASP 5 21.938 -2.972 -4.484 32 HB3 ASP 5 HB1 ASP 5 22.190 -3.390 -2.784 33 H VAL 6 HN VAL 6 21.497 0.839 -2.499 34 HA VAL 6 HA VAL 6 20.901 0.056 0.239 35 HB VAL 6 HB VAL 6 23.184 1.176 0.191 36 HG11 VAL 6 HG11 VAL 6 22.953 2.639 -1.666 37 HG12 VAL 6 HG12 VAL 6 23.355 3.583 -0.232 38 HG13 VAL 6 HG13 VAL 6 21.700 3.564 -0.838 39 HG21 VAL 6 HG21 VAL 6 21.898 1.297 2.232 40 HG22 VAL 6 HG22 VAL 6 21.025 2.709 1.638 41 HG23 VAL 6 HG23 VAL 6 22.748 2.825 1.985 42 H HIS 7 HN HIS 7 19.505 0.027 -1.954 43 HA HIS 7 HA HIS 7 18.032 2.458 -2.012 44 HB2 HIS 7 HB2 HIS 7 17.650 -0.050 -3.643 45 HB3 HIS 7 HB1 HIS 7 16.780 1.461 -3.877 46 HD1 HIS 7 HD1 HIS 7 19.865 -0.321 -4.779 47 HD2 HIS 7 HD2 HIS 7 18.424 3.569 -4.899 48 HE1 HIS 7 HE1 HIS 7 21.444 0.966 -6.292 49 H LYS 8 HN LYS 8 18.058 0.184 0.023 50 HA LYS 8 HA LYS 8 15.357 -0.798 -0.003 51 HB2 LYS 8 HB2 LYS 8 17.559 -1.155 2.052 52 HB3 LYS 8 HB1 LYS 8 15.986 -1.935 2.105 53 HG2 LYS 8 HG2 LYS 8 17.927 -2.310 -0.162 54 HG3 LYS 8 HG1 LYS 8 17.854 -3.362 1.253 55 HD2 LYS 8 HD2 LYS 8 15.532 -3.910 0.745 56 HD3 LYS 8 HD1 LYS 8 15.561 -2.824 -0.643 57 HE2 LYS 8 HE2 LYS 8 17.373 -5.209 -0.328 58 HE3 LYS 8 HE1 LYS 8 15.842 -5.253 -1.192 59 HZ1 LYS 8 HZ1 LYS 8 17.622 -4.938 -2.735 60 HZ2 LYS 8 HZ2 LYS 8 18.262 -3.646 -1.927 61 HZ3 LYS 8 HZ3 LYS 8 16.750 -3.515 -2.684 62 H LYS 9 HN LYS 9 14.479 1.317 -0.004 63 HA LYS 9 HA LYS 9 13.917 2.309 2.729 64 HB2 LYS 9 HB2 LYS 9 14.088 3.898 0.173 65 HB3 LYS 9 HB1 LYS 9 13.574 4.476 1.741 66 HG2 LYS 9 HG2 LYS 9 15.795 4.423 2.575 67 HG3 LYS 9 HG1 LYS 9 16.363 3.501 1.173 68 HD2 LYS 9 HD2 LYS 9 16.967 5.857 0.909 69 HD3 LYS 9 HD1 LYS 9 15.776 5.336 -0.290 70 HE2 LYS 9 HE2 LYS 9 13.980 6.334 1.227 71 HE3 LYS 9 HE1 LYS 9 15.287 7.039 2.171 72 HZ1 LYS 9 HZ1 LYS 9 14.375 8.621 0.551 73 HZ2 LYS 9 HZ2 LYS 9 14.712 7.553 -0.691 74 HZ3 LYS 9 HZ3 LYS 9 15.980 8.256 0.173 75 H CYS 10 HN CYS 10 11.887 2.319 3.116 76 HA CYS 10 HA CYS 10 9.848 1.573 1.274 77 HB2 CYS 10 HB2 CYS 10 9.641 1.584 3.760 78 HB3 CYS 10 HB1 CYS 10 9.771 3.309 3.739 79 HA PRO 11 HA PRO 11 10.457 5.547 -0.876 80 HB2 PRO 11 HB2 PRO 11 7.976 4.906 -2.319 81 HB3 PRO 11 HB1 PRO 11 9.598 5.126 -2.967 82 HG2 PRO 11 HG2 PRO 11 8.352 2.712 -2.832 83 HG3 PRO 11 HG1 PRO 11 10.108 2.899 -2.780 84 HD2 PRO 11 HD2 PRO 11 8.204 2.260 -0.602 85 HD3 PRO 11 HD1 PRO 11 9.903 1.812 -0.806 86 H LEU 12 HN LEU 12 7.822 4.381 0.747 87 HA LEU 12 HA LEU 12 6.116 6.704 0.562 88 HB2 LEU 12 HB2 LEU 12 5.612 4.216 2.155 89 HB3 LEU 12 HB1 LEU 12 4.453 5.264 1.341 90 HG LEU 12 HG LEU 12 6.402 3.408 -0.032 91 HD11 LEU 12 HD11 LEU 12 4.713 2.134 0.940 92 HD12 LEU 12 HD12 LEU 12 4.445 2.201 -0.804 93 HD13 LEU 12 HD13 LEU 12 3.461 3.180 0.287 94 HD21 LEU 12 HD21 LEU 12 5.231 3.968 -2.100 95 HD22 LEU 12 HD22 LEU 12 6.082 5.350 -1.400 96 HD23 LEU 12 HD23 LEU 12 4.328 5.224 -1.236 97 H CYS 13 HN CYS 13 7.917 4.904 3.075 98 HA CYS 13 HA CYS 13 7.366 6.993 5.082 99 HB2 CYS 13 HB2 CYS 13 9.058 4.464 5.312 100 HB3 CYS 13 HB1 CYS 13 8.863 5.670 6.579 101 H GLU 14 HN GLU 14 9.863 6.009 2.880 102 HA GLU 14 HA GLU 14 11.911 6.393 2.488 103 HB2 GLU 14 HB2 GLU 14 11.405 9.051 3.809 104 HB3 GLU 14 HB1 GLU 14 12.988 8.625 3.174 105 HG2 GLU 14 HG2 GLU 14 11.685 8.097 0.993 106 HG3 GLU 14 HG1 GLU 14 10.437 9.122 1.707 107 H LEU 15 HN LEU 15 11.014 5.224 4.921 108 HA LEU 15 HA LEU 15 13.188 5.424 6.763 109 HB2 LEU 15 HB2 LEU 15 10.902 4.811 7.484 110 HB3 LEU 15 HB1 LEU 15 10.970 3.376 6.495 111 HG LEU 15 HG LEU 15 12.917 3.745 8.763 112 HD11 LEU 15 HD11 LEU 15 11.336 2.554 10.186 113 HD12 LEU 15 HD12 LEU 15 10.109 2.675 8.912 114 HD13 LEU 15 HD13 LEU 15 10.735 4.137 9.694 115 HD21 LEU 15 HD21 LEU 15 12.845 1.310 8.801 116 HD22 LEU 15 HD22 LEU 15 13.268 1.882 7.187 117 HD23 LEU 15 HD23 LEU 15 11.635 1.308 7.520 118 H MET 16 HN MET 16 14.953 4.178 6.824 119 HA MET 16 HA MET 16 15.587 2.810 4.366 120 HB2 MET 16 HB2 MET 16 16.953 4.707 5.121 121 HB3 MET 16 HB1 MET 16 17.301 3.849 6.614 122 HG2 MET 16 HG2 MET 16 18.430 2.117 5.359 123 HG3 MET 16 HG1 MET 16 17.987 2.977 3.876 124 HE1 MET 16 HE1 MET 16 20.088 3.162 7.210 125 HE2 MET 16 HE2 MET 16 19.162 4.666 7.262 126 HE3 MET 16 HE3 MET 16 20.908 4.712 7.037 127 H PHE 17 HN PHE 17 16.189 0.747 4.314 128 HA PHE 17 HA PHE 17 16.181 -0.796 6.802 129 HB2 PHE 17 HB2 PHE 17 15.443 -1.618 3.976 130 HB3 PHE 17 HB1 PHE 17 15.521 -2.718 5.341 131 HD1 PHE 17 HD1 PHE 17 13.831 -2.556 7.126 132 HD2 PHE 17 HD2 PHE 17 13.577 -0.225 3.579 133 HE1 PHE 17 HE1 PHE 17 11.447 -2.131 7.576 134 HE2 PHE 17 HE2 PHE 17 11.204 0.206 4.019 135 HZ PHE 17 HZ PHE 17 10.130 -0.747 6.020 136 HA PRO 18 HA PRO 18 20.396 -1.904 5.806 137 HB2 PRO 18 HB2 PRO 18 19.604 -4.754 6.110 138 HB3 PRO 18 HB1 PRO 18 20.887 -3.861 6.927 139 HG2 PRO 18 HG2 PRO 18 18.621 -4.503 8.193 140 HG3 PRO 18 HG1 PRO 18 19.446 -2.961 8.498 141 HD2 PRO 18 HD2 PRO 18 16.984 -3.537 6.922 142 HD3 PRO 18 HD1 PRO 18 17.389 -2.131 7.923 143 HA PRO 19 HA PRO 19 20.285 -2.899 1.424 144 HB2 PRO 19 HB2 PRO 19 22.829 -3.878 1.182 145 HB3 PRO 19 HB1 PRO 19 22.445 -2.156 1.220 146 HG2 PRO 19 HG2 PRO 19 23.417 -3.929 3.421 147 HG3 PRO 19 HG1 PRO 19 23.905 -2.274 3.023 148 HD2 PRO 19 HD2 PRO 19 22.239 -2.762 5.039 149 HD3 PRO 19 HD1 PRO 19 21.999 -1.349 3.994 150 H ASN 20 HN ASN 20 21.199 -5.269 3.737 151 HA ASN 20 HA ASN 20 20.693 -7.228 1.699 152 HB2 ASN 20 HB2 ASN 20 22.291 -7.461 4.245 153 HB3 ASN 20 HB1 ASN 20 21.801 -8.891 3.348 154 HD21 ASN 20 HD21 ASN 20 23.973 -9.408 2.969 155 HD22 ASN 20 HD22 ASN 20 24.924 -8.571 1.802 156 H TYR 21 HN TYR 21 18.643 -5.742 3.453 157 HA TYR 21 HA TYR 21 17.526 -7.646 5.158 158 HB2 TYR 21 HB2 TYR 21 17.381 -5.404 5.672 159 HB3 TYR 21 HB1 TYR 21 16.775 -4.928 4.084 160 HD1 TYR 21 HD1 TYR 21 16.089 -6.272 7.357 161 HD2 TYR 21 HD2 TYR 21 14.471 -5.177 3.662 162 HE1 TYR 21 HE1 TYR 21 13.834 -6.255 8.406 163 HE2 TYR 21 HE2 TYR 21 12.154 -5.146 4.648 164 HH TYR 21 HH TYR 21 11.652 -5.138 7.971 165 H ASP 22 HN ASP 22 15.660 -8.518 4.838 166 HA ASP 22 HA ASP 22 15.203 -9.962 2.468 167 HB2 ASP 22 HB2 ASP 22 13.451 -9.581 4.870 168 HB3 ASP 22 HB1 ASP 22 13.004 -10.664 3.573 169 H GLN 23 HN GLN 23 14.550 -9.323 0.736 170 HA GLN 23 HA GLN 23 13.233 -6.964 0.068 171 HB2 GLN 23 HB2 GLN 23 13.708 -9.521 -1.317 172 HB3 GLN 23 HB1 GLN 23 12.652 -8.331 -2.062 173 HG2 GLN 23 HG2 GLN 23 14.494 -6.729 -2.016 174 HG3 GLN 23 HG1 GLN 23 15.530 -7.954 -1.273 175 HE21 GLN 23 HE21 GLN 23 13.793 -7.052 -4.161 176 HE22 GLN 23 HE22 GLN 23 14.674 -8.103 -5.213 177 H SER 24 HN SER 24 11.924 -10.191 0.622 178 HA SER 24 HA SER 24 9.308 -9.555 -0.185 179 HB2 SER 24 HB2 SER 24 10.234 -11.682 1.757 180 HB3 SER 24 HB1 SER 24 8.683 -11.651 0.904 181 HG SER 24 HG SER 24 10.684 -11.314 -0.825 182 H LYS 25 HN LYS 25 10.987 -9.361 2.899 183 HA LYS 25 HA LYS 25 8.774 -8.554 4.474 184 HB2 LYS 25 HB2 LYS 25 11.741 -8.256 4.737 185 HB3 LYS 25 HB1 LYS 25 10.676 -7.548 5.922 186 HG2 LYS 25 HG2 LYS 25 10.838 -10.474 5.230 187 HG3 LYS 25 HG1 LYS 25 11.568 -9.698 6.638 188 HD2 LYS 25 HD2 LYS 25 9.230 -8.920 7.251 189 HD3 LYS 25 HD1 LYS 25 8.649 -10.017 6.002 190 HE2 LYS 25 HE2 LYS 25 8.562 -11.059 8.207 191 HE3 LYS 25 HE1 LYS 25 9.687 -11.894 7.136 192 HZ1 LYS 25 HZ1 LYS 25 10.544 -11.548 9.410 193 HZ2 LYS 25 HZ2 LYS 25 10.544 -9.869 9.138 194 HZ3 LYS 25 HZ3 LYS 25 11.516 -10.875 8.223 195 H PHE 26 HN PHE 26 11.138 -6.882 2.577 196 HA PHE 26 HA PHE 26 10.532 -4.226 3.194 197 HB2 PHE 26 HB2 PHE 26 12.544 -4.785 1.995 198 HB3 PHE 26 HB1 PHE 26 11.630 -5.543 0.711 199 HD1 PHE 26 HD1 PHE 26 12.086 -2.228 2.343 200 HD2 PHE 26 HD2 PHE 26 11.245 -4.379 -1.232 201 HE1 PHE 26 HE1 PHE 26 12.131 -0.135 1.068 202 HE2 PHE 26 HE2 PHE 26 11.284 -2.284 -2.509 203 HZ PHE 26 HZ PHE 26 11.724 -0.155 -1.356 204 H GLU 27 HN GLU 27 9.356 -6.303 0.614 205 HA GLU 27 HA GLU 27 7.529 -4.455 -0.471 206 HB2 GLU 27 HB2 GLU 27 7.564 -7.458 -0.690 207 HB3 GLU 27 HB1 GLU 27 6.604 -6.375 -1.697 208 HG2 GLU 27 HG2 GLU 27 8.675 -5.358 -2.525 209 HG3 GLU 27 HG1 GLU 27 9.603 -6.494 -1.544 210 H GLU 28 HN GLU 28 7.211 -6.959 1.975 211 HA GLU 28 HA GLU 28 4.362 -6.648 2.442 212 HB2 GLU 28 HB2 GLU 28 6.582 -7.554 4.277 213 HB3 GLU 28 HB1 GLU 28 4.874 -7.593 4.678 214 HG2 GLU 28 HG2 GLU 28 6.090 -9.091 2.373 215 HG3 GLU 28 HG1 GLU 28 5.849 -9.781 3.972 216 H HIS 29 HN HIS 29 7.040 -4.822 3.441 217 HA HIS 29 HA HIS 29 5.275 -3.472 5.068 218 HB2 HIS 29 HB2 HIS 29 7.529 -3.466 5.882 219 HB3 HIS 29 HB1 HIS 29 8.147 -2.898 4.351 220 HD1 HIS 29 HD1 HIS 29 7.222 -1.674 7.727 221 HD2 HIS 29 HD2 HIS 29 7.573 -0.133 3.919 222 HE1 HIS 29 HE1 HIS 29 7.625 0.814 8.029 223 H VAL 30 HN VAL 30 6.628 -2.958 1.867 224 HA VAL 30 HA VAL 30 5.399 -0.333 1.357 225 HB VAL 30 HB VAL 30 6.115 -2.442 -0.721 226 HG11 VAL 30 HG11 VAL 30 5.928 0.572 -0.924 227 HG12 VAL 30 HG12 VAL 30 4.740 -0.576 -1.542 228 HG13 VAL 30 HG13 VAL 30 6.362 -0.528 -2.230 229 HG21 VAL 30 HG21 VAL 30 8.083 -2.033 0.655 230 HG22 VAL 30 HG22 VAL 30 7.900 -0.294 0.425 231 HG23 VAL 30 HG23 VAL 30 8.293 -1.330 -0.948 232 H GLU 31 HN GLU 31 4.246 -3.599 0.685 233 HA GLU 31 HA GLU 31 1.820 -2.584 -0.369 234 HB2 GLU 31 HB2 GLU 31 2.431 -5.318 0.725 235 HB3 GLU 31 HB1 GLU 31 0.963 -4.888 -0.141 236 HG2 GLU 31 HG2 GLU 31 2.375 -4.306 -2.102 237 HG3 GLU 31 HG1 GLU 31 3.767 -4.938 -1.217 238 H SER 32 HN SER 32 2.935 -2.863 2.809 239 HA SER 32 HA SER 32 0.361 -3.099 4.020 240 HB2 SER 32 HB2 SER 32 2.543 -3.767 5.144 241 HB3 SER 32 HB1 SER 32 2.929 -2.054 5.260 242 HG SER 32 HG SER 32 0.451 -2.761 6.223 243 H HIS 33 HN HIS 33 2.499 -0.521 2.905 244 HA HIS 33 HA HIS 33 0.877 1.620 3.918 245 HB2 HIS 33 HB2 HIS 33 2.958 1.472 1.788 246 HB3 HIS 33 HB1 HIS 33 2.114 2.965 2.170 247 HD1 HIS 33 HD1 HIS 33 3.382 4.368 3.861 248 HD2 HIS 33 HD2 HIS 33 4.107 0.304 4.189 249 HE1 HIS 33 HE1 HIS 33 5.139 4.059 5.727 250 H TRP 34 HN TRP 34 0.865 -0.255 0.869 251 HA TRP 34 HA TRP 34 -0.922 1.307 -0.495 252 HB2 TRP 34 HB2 TRP 34 -0.127 -1.583 -0.362 253 HB3 TRP 34 HB1 TRP 34 -1.214 -0.905 -1.625 254 HD1 TRP 34 HD1 TRP 34 1.755 1.241 -0.826 255 HE1 TRP 34 HE1 TRP 34 3.433 0.792 -2.543 256 HE3 TRP 34 HE3 TRP 34 -0.257 -2.735 -2.606 257 HZ2 TRP 34 HZ2 TRP 34 3.989 -1.167 -4.592 258 HZ3 TRP 34 HZ3 TRP 34 0.846 -4.070 -4.555 259 HH2 TRP 34 HH2 TRP 34 2.962 -3.234 -5.484 260 H LYS 35 HN LYS 35 -2.870 1.556 -0.176 261 HA LYS 35 HA LYS 35 -4.114 0.547 2.211 262 HB2 LYS 35 HB2 LYS 35 -5.299 2.426 0.169 263 HB3 LYS 35 HB1 LYS 35 -5.932 2.100 1.770 264 HG2 LYS 35 HG2 LYS 35 -3.362 3.529 1.098 265 HG3 LYS 35 HG1 LYS 35 -4.838 4.246 1.745 266 HD2 LYS 35 HD2 LYS 35 -4.568 2.916 3.793 267 HD3 LYS 35 HD1 LYS 35 -3.083 2.220 3.143 268 HE2 LYS 35 HE2 LYS 35 -3.601 5.111 3.838 269 HE3 LYS 35 HE1 LYS 35 -2.526 3.992 4.672 270 HZ1 LYS 35 HZ1 LYS 35 -1.178 3.890 2.599 271 HZ2 LYS 35 HZ2 LYS 35 -1.262 5.432 3.279 272 HZ3 LYS 35 HZ3 LYS 35 -2.186 5.084 1.938 273 H VAL 36 HN VAL 36 -4.604 -1.208 2.296 274 HA VAL 36 HA VAL 36 -5.963 -2.516 0.109 275 HB VAL 36 HB VAL 36 -3.984 -3.517 1.009 276 HG11 VAL 36 HG11 VAL 36 -5.386 -3.713 3.635 277 HG12 VAL 36 HG12 VAL 36 -3.936 -2.783 3.217 278 HG13 VAL 36 HG13 VAL 36 -3.886 -4.543 3.194 279 HG21 VAL 36 HG21 VAL 36 -6.447 -5.151 1.625 280 HG22 VAL 36 HG22 VAL 36 -4.826 -5.815 1.402 281 HG23 VAL 36 HG23 VAL 36 -5.653 -5.019 0.059 282 H CYS 37 HN CYS 37 -8.012 -3.020 0.103 283 HA CYS 37 HA CYS 37 -9.683 -2.373 2.338 284 HB2 CYS 37 HB2 CYS 37 -10.362 -1.976 -0.007 285 HB3 CYS 37 HB1 CYS 37 -10.115 -3.666 -0.337 286 HA PRO 38 HA PRO 38 -8.624 -6.457 3.967 287 HB2 PRO 38 HB2 PRO 38 -11.103 -6.178 5.548 288 HB3 PRO 38 HB1 PRO 38 -9.444 -6.401 6.111 289 HG2 PRO 38 HG2 PRO 38 -10.756 -4.045 6.336 290 HG3 PRO 38 HG1 PRO 38 -9.003 -4.149 6.110 291 HD2 PRO 38 HD2 PRO 38 -11.124 -3.429 4.103 292 HD3 PRO 38 HD1 PRO 38 -9.443 -2.849 4.274 293 H MET 39 HN MET 39 -11.858 -5.589 3.044 294 HA MET 39 HA MET 39 -12.760 -8.295 2.786 295 HB2 MET 39 HB2 MET 39 -14.073 -5.689 2.027 296 HB3 MET 39 HB1 MET 39 -14.831 -7.259 1.851 297 HG2 MET 39 HG2 MET 39 -15.655 -6.218 3.854 298 HG3 MET 39 HG1 MET 39 -14.676 -7.613 4.281 299 HE1 MET 39 HE1 MET 39 -13.543 -3.929 3.250 300 HE2 MET 39 HE2 MET 39 -13.331 -3.213 4.851 301 HE3 MET 39 HE3 MET 39 -14.938 -3.680 4.307 302 H CYS 40 HN CYS 40 -11.347 -5.934 0.604 303 HA CYS 40 HA CYS 40 -12.152 -7.592 -1.680 304 HB2 CYS 40 HB2 CYS 40 -11.208 -4.827 -1.339 305 HB3 CYS 40 HB1 CYS 40 -10.945 -5.608 -2.929 306 H SER 41 HN SER 41 -9.448 -6.713 0.287 307 HA SER 41 HA SER 41 -7.306 -7.157 0.337 308 HB2 SER 41 HB2 SER 41 -7.932 -9.385 -1.639 309 HB3 SER 41 HB1 SER 41 -6.474 -9.207 -0.647 310 HG SER 41 HG SER 41 -7.963 -9.219 1.194 311 H GLU 42 HN GLU 42 -8.426 -5.249 -1.421 312 HA GLU 42 HA GLU 42 -6.643 -5.214 -3.713 313 HB2 GLU 42 HB2 GLU 42 -9.308 -4.941 -3.783 314 HB3 GLU 42 HB1 GLU 42 -8.841 -3.346 -3.220 315 HG2 GLU 42 HG2 GLU 42 -7.562 -2.885 -5.147 316 HG3 GLU 42 HG1 GLU 42 -7.746 -4.537 -5.738 317 H GLN 43 HN GLN 43 -5.193 -4.270 -3.386 318 HA GLN 43 HA GLN 43 -4.638 -2.250 -1.308 319 HB2 GLN 43 HB2 GLN 43 -3.043 -3.681 -3.348 320 HB3 GLN 43 HB1 GLN 43 -2.315 -2.720 -2.018 321 HG2 GLN 43 HG2 GLN 43 -3.597 -4.444 -0.528 322 HG3 GLN 43 HG1 GLN 43 -3.813 -5.322 -2.000 323 HE21 GLN 43 HE21 GLN 43 -1.247 -4.694 -3.091 324 HE22 GLN 43 HE22 GLN 43 -0.104 -5.646 -2.231 325 H PHE 44 HN PHE 44 -4.738 -0.256 -1.774 326 HA PHE 44 HA PHE 44 -4.705 0.713 -4.520 327 HB2 PHE 44 HB2 PHE 44 -5.619 1.830 -1.888 328 HB3 PHE 44 HB1 PHE 44 -5.487 2.840 -3.319 329 HD1 PHE 44 HD2 PHE 44 -7.232 -0.046 -1.785 330 HD2 PHE 44 HD1 PHE 44 -7.188 2.695 -5.035 331 HE1 PHE 44 HE2 PHE 44 -9.480 -0.798 -2.438 332 HE2 PHE 44 HE1 PHE 44 -9.435 1.951 -5.693 333 HZ PHE 44 HZ PHE 44 -10.589 0.206 -4.392 334 HA PRO 45 HA PRO 45 -0.649 2.309 -4.066 335 HB2 PRO 45 HB2 PRO 45 -0.831 4.769 -5.274 336 HB3 PRO 45 HB1 PRO 45 -0.711 3.245 -6.157 337 HG2 PRO 45 HG2 PRO 45 -3.101 4.925 -5.590 338 HG3 PRO 45 HG1 PRO 45 -2.699 3.992 -7.041 339 HD2 PRO 45 HD2 PRO 45 -4.468 3.192 -5.153 340 HD3 PRO 45 HD1 PRO 45 -3.550 2.039 -6.164 341 HA PRO 46 HA PRO 46 -0.324 4.714 -0.390 342 HB2 PRO 46 HB2 PRO 46 2.035 6.005 -0.892 343 HB3 PRO 46 HB1 PRO 46 1.962 4.322 -0.383 344 HG2 PRO 46 HG2 PRO 46 2.230 5.462 -3.143 345 HG3 PRO 46 HG1 PRO 46 3.090 4.098 -2.407 346 HD2 PRO 46 HD2 PRO 46 1.103 3.693 -4.089 347 HD3 PRO 46 HD1 PRO 46 1.281 2.670 -2.649 348 H ASP 47 HN ASP 47 -0.333 6.231 -3.468 349 HA ASP 47 HA ASP 47 -0.528 8.895 -2.273 350 HB2 ASP 47 HB2 ASP 47 1.217 8.539 -4.020 351 HB3 ASP 47 HB1 ASP 47 -0.050 8.146 -5.171 352 H TYR 48 HN TYR 48 -2.744 6.638 -2.590 353 HA TYR 48 HA TYR 48 -4.598 7.843 -4.292 354 HB2 TYR 48 HB2 TYR 48 -4.227 5.344 -3.569 355 HB3 TYR 48 HB1 TYR 48 -5.105 5.822 -2.124 356 HD1 TYR 48 HD2 TYR 48 -5.374 6.093 -5.804 357 HD2 TYR 48 HD1 TYR 48 -7.397 5.454 -2.138 358 HE1 TYR 48 HE2 TYR 48 -7.452 5.696 -7.045 359 HE2 TYR 48 HE1 TYR 48 -9.497 5.046 -3.358 360 HH TYR 48 HH TYR 48 -9.523 4.598 -6.764 361 H ASP 49 HN ASP 49 -6.768 7.835 -2.722 362 HA ASP 49 HA ASP 49 -6.135 10.102 -0.985 363 HB2 ASP 49 HB2 ASP 49 -7.608 10.420 -3.176 364 HB3 ASP 49 HB1 ASP 49 -8.808 9.663 -2.175 365 H GLN 50 HN GLN 50 -6.679 9.896 1.019 366 HA GLN 50 HA GLN 50 -7.657 7.539 2.136 367 HB2 GLN 50 HB2 GLN 50 -7.425 10.307 3.275 368 HB3 GLN 50 HB1 GLN 50 -8.002 8.944 4.224 369 HG2 GLN 50 HG2 GLN 50 -5.343 9.079 2.828 370 HG3 GLN 50 HG1 GLN 50 -5.619 9.391 4.542 371 HE21 GLN 50 HE21 GLN 50 -7.574 7.311 4.931 372 HE22 GLN 50 HE22 GLN 50 -6.723 5.817 4.864 373 H GLN 51 HN GLN 51 -9.352 10.419 1.161 374 HA GLN 51 HA GLN 51 -11.765 9.664 2.507 375 HB2 GLN 51 HB2 GLN 51 -11.245 11.791 0.449 376 HB3 GLN 51 HB1 GLN 51 -12.756 11.604 1.333 377 HG2 GLN 51 HG2 GLN 51 -10.070 12.211 2.557 378 HG3 GLN 51 HG1 GLN 51 -11.320 13.400 2.208 379 HE21 GLN 51 HE21 GLN 51 -11.441 14.003 4.320 380 HE22 GLN 51 HE22 GLN 51 -12.166 13.049 5.550 381 H VAL 52 HN VAL 52 -10.297 9.012 -0.541 382 HA VAL 52 HA VAL 52 -12.818 8.231 -1.702 383 HB VAL 52 HB VAL 52 -9.961 8.032 -2.730 384 HG11 VAL 52 HG11 VAL 52 -10.892 7.587 -4.876 385 HG12 VAL 52 HG12 VAL 52 -12.538 7.567 -4.217 386 HG13 VAL 52 HG13 VAL 52 -11.369 6.312 -3.751 387 HG21 VAL 52 HG21 VAL 52 -10.784 10.313 -2.487 388 HG22 VAL 52 HG22 VAL 52 -12.192 9.909 -3.468 389 HG23 VAL 52 HG23 VAL 52 -10.578 9.870 -4.181 390 H PHE 53 HN PHE 53 -9.878 6.829 -0.379 391 HA PHE 53 HA PHE 53 -10.558 4.130 -0.803 392 HB2 PHE 53 HB2 PHE 53 -8.253 4.738 -0.347 393 HB3 PHE 53 HB1 PHE 53 -8.701 5.400 1.221 394 HD1 PHE 53 HD1 PHE 53 -8.989 2.194 -0.673 395 HD2 PHE 53 HD2 PHE 53 -8.279 4.100 3.067 396 HE1 PHE 53 HE1 PHE 53 -8.572 0.005 0.364 397 HE2 PHE 53 HE2 PHE 53 -7.855 1.908 4.104 398 HZ PHE 53 HZ PHE 53 -8.007 -0.137 2.753 399 H GLU 54 HN GLU 54 -11.002 6.307 1.986 400 HA GLU 54 HA GLU 54 -12.156 4.395 3.661 401 HB2 GLU 54 HB2 GLU 54 -12.289 7.385 3.576 402 HB3 GLU 54 HB1 GLU 54 -13.241 6.475 4.742 403 HG2 GLU 54 HG2 GLU 54 -10.311 6.008 4.477 404 HG3 GLU 54 HG1 GLU 54 -10.903 7.341 5.455 405 H ARG 55 HN ARG 55 -13.598 6.370 1.152 406 HA ARG 55 HA ARG 55 -16.291 5.740 1.810 407 HB2 ARG 55 HB2 ARG 55 -14.906 6.997 -0.420 408 HB3 ARG 55 HB1 ARG 55 -16.344 6.114 -0.913 409 HG2 ARG 55 HG2 ARG 55 -16.799 8.487 -0.459 410 HG3 ARG 55 HG1 ARG 55 -17.714 7.406 0.587 411 HD2 ARG 55 HD2 ARG 55 -16.118 7.811 2.401 412 HD3 ARG 55 HD1 ARG 55 -15.178 8.863 1.344 413 HE ARG 55 HE ARG 55 -17.773 9.784 1.349 414 HH11 ARG 55 HH11 ARG 55 -15.180 9.428 3.750 415 HH12 ARG 55 HH12 ARG 55 -15.631 10.804 4.632 416 HH21 ARG 55 HH21 ARG 55 -18.395 11.676 2.610 417 HH22 ARG 55 HH22 ARG 55 -17.530 12.090 3.994 418 H HIS 56 HN HIS 56 -13.941 4.215 -0.274 419 HA HIS 56 HA HIS 56 -15.615 2.212 -1.286 420 HB2 HIS 56 HB2 HIS 56 -13.491 2.667 -2.373 421 HB3 HIS 56 HB1 HIS 56 -12.612 2.341 -0.896 422 HD1 HIS 56 HD1 HIS 56 -14.484 0.493 -3.657 423 HD2 HIS 56 HD2 HIS 56 -11.823 -0.220 -0.550 424 HE1 HIS 56 HE1 HIS 56 -13.765 -1.930 -3.877 425 H VAL 57 HN VAL 57 -13.543 2.322 1.573 426 HA VAL 57 HA VAL 57 -13.996 -0.414 2.286 427 HB VAL 57 HB VAL 57 -13.023 1.896 3.981 428 HG11 VAL 57 HG11 VAL 57 -13.843 0.037 5.371 429 HG12 VAL 57 HG12 VAL 57 -12.084 0.154 5.465 430 HG13 VAL 57 HG13 VAL 57 -12.833 -1.091 4.466 431 HG21 VAL 57 HG21 VAL 57 -11.545 -0.238 2.480 432 HG22 VAL 57 HG22 VAL 57 -10.796 0.947 3.554 433 HG23 VAL 57 HG23 VAL 57 -11.610 1.475 2.077 434 H GLN 58 HN GLN 58 -15.401 2.655 3.187 435 HA GLN 58 HA GLN 58 -17.082 1.771 5.179 436 HB2 GLN 58 HB2 GLN 58 -17.108 4.115 3.391 437 HB3 GLN 58 HB1 GLN 58 -18.521 3.823 4.416 438 HG2 GLN 58 HG2 GLN 58 -15.666 4.201 5.317 439 HG3 GLN 58 HG1 GLN 58 -16.983 5.368 5.479 440 HE21 GLN 58 HE21 GLN 58 -15.655 2.395 6.629 441 HE22 GLN 58 HE22 GLN 58 -16.629 2.259 8.044 442 H THR 59 HN THR 59 -17.567 1.606 1.716 443 HA THR 59 HA THR 59 -20.346 1.110 2.029 444 HB THR 59 HB THR 59 -20.334 0.444 -0.391 445 HG1 THR 59 HG1 THR 59 -17.969 1.352 -1.083 446 HG21 THR 59 HG21 THR 59 -20.641 2.780 0.326 447 HG22 THR 59 HG22 THR 59 -19.797 2.669 -1.227 448 HG23 THR 59 HG23 THR 59 -18.888 2.995 0.251 449 H HIS 60 HN HIS 60 -17.550 -0.843 2.165 450 HA HIS 60 HA HIS 60 -18.904 -3.352 1.832 451 HB2 HIS 60 HB2 HIS 60 -16.225 -2.711 3.103 452 HB3 HIS 60 HB1 HIS 60 -16.823 -4.350 2.884 453 HD1 HIS 60 HD1 HIS 60 -16.017 -5.454 0.683 454 HD2 HIS 60 HD2 HIS 60 -15.919 -1.306 0.587 455 HE1 HIS 60 HE1 HIS 60 -14.707 -4.773 -1.419 456 H PHE 61 HN PHE 61 -18.236 -1.154 4.477 457 HA PHE 61 HA PHE 61 -19.284 -3.062 6.397 458 HB2 PHE 61 HB2 PHE 61 -18.210 -0.272 6.682 459 HB3 PHE 61 HB1 PHE 61 -18.970 -1.111 8.025 460 HD1 PHE 61 HD1 PHE 61 -17.992 -3.396 8.646 461 HD2 PHE 61 HD2 PHE 61 -15.967 -0.536 6.260 462 HE1 PHE 61 HE1 PHE 61 -15.850 -4.471 9.207 463 HE2 PHE 61 HE2 PHE 61 -13.806 -1.607 6.809 464 HZ PHE 61 HZ PHE 61 -13.750 -3.575 8.282 465 H ASP 62 HN ASP 62 -20.267 -0.267 4.649 466 HA ASP 62 HA ASP 62 -22.683 0.284 6.050 467 HB2 ASP 62 HB2 ASP 62 -21.527 1.842 4.455 468 HB3 ASP 62 HB1 ASP 62 -22.039 0.784 3.151 469 H GLN 63 HN GLN 63 -21.692 -1.739 3.638 470 HA GLN 63 HA GLN 63 -22.511 -3.314 2.336 471 HB2 GLN 63 HB2 GLN 63 -24.600 -3.622 4.503 472 HB3 GLN 63 HB1 GLN 63 -24.396 -4.747 3.174 473 HG2 GLN 63 HG2 GLN 63 -22.202 -4.141 5.139 474 HG3 GLN 63 HG1 GLN 63 -23.408 -5.380 5.428 475 HE21 GLN 63 HE21 GLN 63 -21.923 -4.799 2.183 476 HE22 GLN 63 HE22 GLN 63 -21.079 -6.284 2.209 477 H ASN 64 HN ASN 64 -22.879 -1.580 0.925 478 HA ASN 64 HA ASN 64 -25.598 -0.614 0.675 479 HB2 ASN 64 HB2 ASN 64 -24.734 0.882 -1.075 480 HB3 ASN 64 HB1 ASN 64 -23.747 1.007 0.367 481 HD21 ASN 64 HD21 ASN 64 -23.125 1.698 -2.374 482 HD22 ASN 64 HD22 ASN 64 -21.737 0.797 -2.838 483 H VAL 65 HN VAL 65 -23.620 -3.031 -0.420 484 HA VAL 65 HA VAL 65 -23.603 -4.653 -1.831 485 HB VAL 65 HB VAL 65 -25.641 -5.391 -0.687 486 HG11 VAL 65 HG11 VAL 65 -27.214 -4.063 -2.870 487 HG12 VAL 65 HG12 VAL 65 -27.104 -3.567 -1.188 488 HG13 VAL 65 HG13 VAL 65 -27.867 -5.109 -1.597 489 HG21 VAL 65 HG21 VAL 65 -25.668 -6.057 -3.620 490 HG22 VAL 65 HG22 VAL 65 -26.492 -6.974 -2.356 491 HG23 VAL 65 HG23 VAL 65 -24.732 -6.857 -2.357 492 H LEU 66 HN LEU 66 -25.402 -2.274 -3.082 493 HA LEU 66 HA LEU 66 -24.159 -2.670 -5.732 494 HB2 LEU 66 HB2 LEU 66 -26.995 -1.741 -5.239 495 HB3 LEU 66 HB1 LEU 66 -26.220 -1.860 -6.801 496 HG LEU 66 HG LEU 66 -26.918 -4.184 -5.004 497 HD11 LEU 66 HD11 LEU 66 -28.566 -4.718 -6.721 498 HD12 LEU 66 HD12 LEU 66 -28.147 -3.244 -7.591 499 HD13 LEU 66 HD13 LEU 66 -28.880 -3.148 -5.988 500 HD21 LEU 66 HD21 LEU 66 -26.287 -5.572 -6.926 501 HD22 LEU 66 HD22 LEU 66 -24.920 -4.644 -6.314 502 HD23 LEU 66 HD23 LEU 66 -25.747 -4.127 -7.785 503 H ASN 67 HN ASN 67 -22.954 -0.956 -6.136 504 HA ASN 67 HA ASN 67 -23.058 1.476 -4.683 505 HB2 ASN 67 HB2 ASN 67 -21.702 0.732 -7.272 506 HB3 ASN 67 HB1 ASN 67 -21.634 2.366 -6.625 507 HD21 ASN 67 HD21 ASN 67 -19.598 0.243 -7.057 508 HD22 ASN 67 HD22 ASN 67 -18.796 0.095 -5.546 509 H PHE 68 HN PHE 68 -24.543 2.979 -4.794 510 HA PHE 68 HA PHE 68 -26.265 3.086 -7.121 511 HB2 PHE 68 HB2 PHE 68 -27.213 3.065 -4.781 512 HB3 PHE 68 HB1 PHE 68 -26.489 4.644 -4.526 513 HD1 PHE 68 HD2 PHE 68 -29.060 2.787 -6.395 514 HD2 PHE 68 HD1 PHE 68 -27.558 6.626 -5.348 515 HE1 PHE 68 HE2 PHE 68 -31.112 3.829 -7.270 516 HE2 PHE 68 HE1 PHE 68 -29.608 7.672 -6.214 517 HZ PHE 68 HZ PHE 68 -31.385 6.272 -7.180 518 H ASP 69 HN ASP 69 -24.361 3.807 -8.326 519 HA ASP 69 HA ASP 69 -24.626 6.408 -9.194 520 HB2 ASP 69 HB2 ASP 69 -23.443 7.143 -7.166 521 HB3 ASP 69 HB1 ASP 69 -22.136 6.016 -7.495 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 35.239 0.264 -4.856 2 H2 GLY 1 HT2 GLY 1 35.235 -1.398 -5.217 3 H3 GLY 1 HT3 GLY 1 34.725 -0.832 -3.706 4 HA2 GLY 1 HA1 GLY 1 33.340 -0.172 -6.195 5 HA3 GLY 1 HA2 GLY 1 32.870 -1.452 -5.076 6 HA PRO 2 HA PRO 2 31.905 2.963 -3.360 7 HB2 PRO 2 HB2 PRO 2 29.776 3.397 -5.348 8 HB3 PRO 2 HB1 PRO 2 30.995 4.541 -4.772 9 HG2 PRO 2 HG2 PRO 2 31.073 3.512 -7.254 10 HG3 PRO 2 HG1 PRO 2 32.551 3.852 -6.337 11 HD2 PRO 2 HD2 PRO 2 31.179 1.239 -6.809 12 HD3 PRO 2 HD1 PRO 2 32.912 1.635 -6.804 13 H HIS 3 HN HIS 3 30.668 2.390 -1.649 14 HA HIS 3 HA HIS 3 28.721 0.324 -2.043 15 HB2 HIS 3 HB2 HIS 3 28.462 0.190 0.380 16 HB3 HIS 3 HB1 HIS 3 30.165 0.232 -0.018 17 HD1 HIS 3 HD1 HIS 3 28.099 1.384 2.546 18 HD2 HIS 3 HD2 HIS 3 30.947 3.273 0.181 19 HE1 HIS 3 HE1 HIS 3 28.827 3.415 3.817 20 H MET 4 HN MET 4 26.725 0.569 -2.484 21 HA MET 4 HA MET 4 25.379 3.092 -1.784 22 HB2 MET 4 HB2 MET 4 25.643 2.748 -4.239 23 HB3 MET 4 HB1 MET 4 24.779 1.225 -4.093 24 HG2 MET 4 HG2 MET 4 23.359 3.069 -4.902 25 HG3 MET 4 HG1 MET 4 22.786 2.360 -3.391 26 HE1 MET 4 HE1 MET 4 21.843 6.149 -3.070 27 HE2 MET 4 HE2 MET 4 21.249 4.483 -3.067 28 HE3 MET 4 HE3 MET 4 21.874 5.192 -4.560 29 H ASP 5 HN ASP 5 24.798 2.395 0.194 30 HA ASP 5 HA ASP 5 23.514 -0.176 0.552 31 HB2 ASP 5 HB2 ASP 5 25.099 0.734 2.215 32 HB3 ASP 5 HB1 ASP 5 24.006 2.081 2.488 33 H VAL 6 HN VAL 6 22.443 2.540 -0.683 34 HA VAL 6 HA VAL 6 19.878 2.690 0.743 35 HB VAL 6 HB VAL 6 21.179 4.873 -0.898 36 HG11 VAL 6 HG11 VAL 6 18.822 5.161 -0.435 37 HG12 VAL 6 HG12 VAL 6 19.772 6.390 0.403 38 HG13 VAL 6 HG13 VAL 6 19.124 5.013 1.297 39 HG21 VAL 6 HG21 VAL 6 22.781 4.314 0.842 40 HG22 VAL 6 HG22 VAL 6 21.540 4.516 2.075 41 HG23 VAL 6 HG23 VAL 6 22.080 5.909 1.126 42 H HIS 7 HN HIS 7 20.753 0.877 -1.231 43 HA HIS 7 HA HIS 7 19.710 1.996 -3.517 44 HB2 HIS 7 HB2 HIS 7 21.595 0.525 -3.875 45 HB3 HIS 7 HB1 HIS 7 20.747 -0.815 -3.123 46 HD1 HIS 7 HD1 HIS 7 20.397 1.333 -6.307 47 HD2 HIS 7 HD2 HIS 7 19.564 -2.485 -4.871 48 HE1 HIS 7 HE1 HIS 7 19.573 0.012 -8.268 49 H LYS 8 HN LYS 8 18.501 0.616 -0.986 50 HA LYS 8 HA LYS 8 15.983 -0.112 -2.309 51 HB2 LYS 8 HB2 LYS 8 17.196 -1.558 0.055 52 HB3 LYS 8 HB1 LYS 8 15.516 -1.742 -0.418 53 HG2 LYS 8 HG2 LYS 8 17.893 -2.416 -2.155 54 HG3 LYS 8 HG1 LYS 8 16.952 -3.580 -1.223 55 HD2 LYS 8 HD2 LYS 8 14.938 -2.959 -2.532 56 HD3 LYS 8 HD1 LYS 8 15.921 -1.842 -3.480 57 HE2 LYS 8 HE2 LYS 8 17.300 -3.717 -4.249 58 HE3 LYS 8 HE1 LYS 8 16.316 -4.825 -3.296 59 HZ1 LYS 8 HZ1 LYS 8 15.334 -3.176 -5.571 60 HZ2 LYS 8 HZ2 LYS 8 14.409 -4.283 -4.686 61 HZ3 LYS 8 HZ3 LYS 8 15.693 -4.821 -5.619 62 H LYS 9 HN LYS 9 14.904 1.750 -1.986 63 HA LYS 9 HA LYS 9 14.387 2.503 0.826 64 HB2 LYS 9 HB2 LYS 9 14.006 4.244 -1.614 65 HB3 LYS 9 HB1 LYS 9 13.935 4.722 0.067 66 HG2 LYS 9 HG2 LYS 9 16.320 4.409 0.317 67 HG3 LYS 9 HG1 LYS 9 16.435 3.809 -1.335 68 HD2 LYS 9 HD2 LYS 9 17.084 5.998 -1.616 69 HD3 LYS 9 HD1 LYS 9 15.361 6.087 -1.957 70 HE2 LYS 9 HE2 LYS 9 16.677 6.810 0.678 71 HE3 LYS 9 HE1 LYS 9 16.175 7.959 -0.544 72 HZ1 LYS 9 HZ1 LYS 9 13.833 7.183 -0.143 73 HZ2 LYS 9 HZ2 LYS 9 14.591 7.923 1.146 74 HZ3 LYS 9 HZ3 LYS 9 14.401 6.275 1.176 75 H CYS 10 HN CYS 10 12.390 2.511 1.436 76 HA CYS 10 HA CYS 10 10.325 1.282 -0.029 77 HB2 CYS 10 HB2 CYS 10 10.385 1.387 2.387 78 HB3 CYS 10 HB1 CYS 10 10.317 3.127 2.346 79 HA PRO 11 HA PRO 11 9.720 4.967 -2.543 80 HB2 PRO 11 HB2 PRO 11 7.594 3.925 -3.987 81 HB3 PRO 11 HB1 PRO 11 9.300 3.717 -4.399 82 HG2 PRO 11 HG2 PRO 11 7.438 1.789 -3.070 83 HG3 PRO 11 HG1 PRO 11 8.797 1.488 -4.156 84 HD2 PRO 11 HD2 PRO 11 8.832 1.134 -1.462 85 HD3 PRO 11 HD1 PRO 11 10.275 1.439 -2.448 86 H LEU 12 HN LEU 12 7.736 3.609 -0.246 87 HA LEU 12 HA LEU 12 5.578 5.558 -0.625 88 HB2 LEU 12 HB2 LEU 12 5.714 3.375 1.395 89 HB3 LEU 12 HB1 LEU 12 4.315 4.319 0.989 90 HG LEU 12 HG LEU 12 3.784 2.422 -0.121 91 HD11 LEU 12 HD11 LEU 12 5.558 3.603 -2.218 92 HD12 LEU 12 HD12 LEU 12 3.860 3.981 -1.921 93 HD13 LEU 12 HD13 LEU 12 4.321 2.374 -2.483 94 HD21 LEU 12 HD21 LEU 12 6.678 1.805 -0.618 95 HD22 LEU 12 HD22 LEU 12 5.263 0.767 -0.936 96 HD23 LEU 12 HD23 LEU 12 5.672 1.215 0.713 97 H CYS 13 HN CYS 13 7.704 4.463 2.080 98 HA CYS 13 HA CYS 13 7.014 7.047 3.347 99 HB2 CYS 13 HB2 CYS 13 7.482 6.128 5.473 100 HB3 CYS 13 HB1 CYS 13 6.421 5.024 4.575 101 H GLU 14 HN GLU 14 9.372 5.576 1.740 102 HA GLU 14 HA GLU 14 11.426 6.121 1.144 103 HB2 GLU 14 HB2 GLU 14 11.032 8.469 2.972 104 HB3 GLU 14 HB1 GLU 14 12.545 8.195 2.116 105 HG2 GLU 14 HG2 GLU 14 9.914 8.300 0.698 106 HG3 GLU 14 HG1 GLU 14 10.857 9.747 1.033 107 H LEU 15 HN LEU 15 10.712 4.749 3.946 108 HA LEU 15 HA LEU 15 13.068 4.705 5.475 109 HB2 LEU 15 HB2 LEU 15 10.900 3.560 6.088 110 HB3 LEU 15 HB1 LEU 15 11.294 2.314 4.925 111 HG LEU 15 HG LEU 15 13.355 1.789 6.253 112 HD11 LEU 15 HD11 LEU 15 13.562 3.973 7.372 113 HD12 LEU 15 HD12 LEU 15 13.489 2.601 8.505 114 HD13 LEU 15 HD13 LEU 15 12.049 3.587 8.220 115 HD21 LEU 15 HD21 LEU 15 11.311 0.502 6.547 116 HD22 LEU 15 HD22 LEU 15 10.779 1.644 7.784 117 HD23 LEU 15 HD23 LEU 15 12.211 0.653 8.056 118 H MET 16 HN MET 16 14.915 3.686 5.399 119 HA MET 16 HA MET 16 15.638 2.755 2.739 120 HB2 MET 16 HB2 MET 16 17.207 3.871 5.009 121 HB3 MET 16 HB1 MET 16 17.960 3.303 3.505 122 HG2 MET 16 HG2 MET 16 16.624 5.015 2.300 123 HG3 MET 16 HG1 MET 16 16.001 5.572 3.847 124 HE1 MET 16 HE1 MET 16 18.635 5.281 5.687 125 HE2 MET 16 HE2 MET 16 17.526 6.651 5.743 126 HE3 MET 16 HE3 MET 16 19.261 6.926 5.567 127 H PHE 17 HN PHE 17 16.322 0.764 2.424 128 HA PHE 17 HA PHE 17 16.841 -0.907 4.749 129 HB2 PHE 17 HB2 PHE 17 15.490 -1.609 2.139 130 HB3 PHE 17 HB1 PHE 17 16.027 -2.799 3.312 131 HD1 PHE 17 HD1 PHE 17 14.955 -2.925 5.516 132 HD2 PHE 17 HD2 PHE 17 13.489 -0.374 2.451 133 HE1 PHE 17 HE1 PHE 17 12.804 -2.763 6.686 134 HE2 PHE 17 HE2 PHE 17 11.333 -0.213 3.616 135 HZ PHE 17 HZ PHE 17 10.991 -1.416 5.730 136 HA PRO 18 HA PRO 18 20.815 -1.681 2.926 137 HB2 PRO 18 HB2 PRO 18 20.429 -4.505 3.772 138 HB3 PRO 18 HB1 PRO 18 21.724 -3.373 4.179 139 HG2 PRO 18 HG2 PRO 18 19.852 -4.030 5.964 140 HG3 PRO 18 HG1 PRO 18 20.510 -2.385 5.874 141 HD2 PRO 18 HD2 PRO 18 17.902 -3.448 4.888 142 HD3 PRO 18 HD1 PRO 18 18.288 -1.896 5.657 143 HA PRO 19 HA PRO 19 19.873 -3.647 -1.050 144 HB2 PRO 19 HB2 PRO 19 22.693 -4.218 -1.421 145 HB3 PRO 19 HB1 PRO 19 21.681 -3.042 -2.272 146 HG2 PRO 19 HG2 PRO 19 23.670 -2.327 -0.572 147 HG3 PRO 19 HG1 PRO 19 22.218 -1.350 -0.835 148 HD2 PRO 19 HD2 PRO 19 22.892 -3.166 1.442 149 HD3 PRO 19 HD1 PRO 19 22.063 -1.596 1.440 150 H ASN 20 HN ASN 20 21.497 -5.214 1.440 151 HA ASN 20 HA ASN 20 21.084 -7.682 0.007 152 HB2 ASN 20 HB2 ASN 20 22.978 -7.095 2.273 153 HB3 ASN 20 HB1 ASN 20 22.584 -8.745 1.812 154 HD21 ASN 20 HD21 ASN 20 23.335 -9.548 -0.114 155 HD22 ASN 20 HD22 ASN 20 24.530 -8.781 -1.077 156 H TYR 21 HN TYR 21 19.128 -5.978 1.701 157 HA TYR 21 HA TYR 21 18.457 -7.713 3.810 158 HB2 TYR 21 HB2 TYR 21 18.157 -5.471 4.231 159 HB3 TYR 21 HB1 TYR 21 17.441 -5.114 2.659 160 HD1 TYR 21 HD1 TYR 21 16.911 -6.558 5.986 161 HD2 TYR 21 HD2 TYR 21 15.125 -5.291 2.398 162 HE1 TYR 21 HE1 TYR 21 14.687 -6.676 7.088 163 HE2 TYR 21 HE2 TYR 21 12.875 -5.393 3.449 164 HH TYR 21 HH TYR 21 12.439 -5.641 6.764 165 H ASP 22 HN ASP 22 16.557 -8.692 3.837 166 HA ASP 22 HA ASP 22 15.844 -10.274 1.580 167 HB2 ASP 22 HB2 ASP 22 14.391 -9.822 4.180 168 HB3 ASP 22 HB1 ASP 22 13.902 -11.000 2.978 169 H GLN 23 HN GLN 23 15.140 -9.367 -0.107 170 HA GLN 23 HA GLN 23 13.582 -7.096 -0.203 171 HB2 GLN 23 HB2 GLN 23 15.067 -8.279 -1.923 172 HB3 GLN 23 HB1 GLN 23 13.582 -9.115 -2.370 173 HG2 GLN 23 HG2 GLN 23 12.481 -6.876 -2.433 174 HG3 GLN 23 HG1 GLN 23 14.126 -6.226 -2.345 175 HE21 GLN 23 HE21 GLN 23 11.824 -7.915 -4.309 176 HE22 GLN 23 HE22 GLN 23 12.689 -7.762 -5.794 177 H SER 24 HN SER 24 12.820 -10.497 0.034 178 HA SER 24 HA SER 24 10.118 -10.359 -0.738 179 HB2 SER 24 HB2 SER 24 11.374 -12.232 1.281 180 HB3 SER 24 HB1 SER 24 9.924 -12.524 0.319 181 HG SER 24 HG SER 24 11.324 -12.287 -1.552 182 H LYS 25 HN LYS 25 11.840 -9.508 2.125 183 HA LYS 25 HA LYS 25 9.451 -9.186 3.729 184 HB2 LYS 25 HB2 LYS 25 12.366 -8.693 4.230 185 HB3 LYS 25 HB1 LYS 25 11.149 -8.382 5.460 186 HG2 LYS 25 HG2 LYS 25 11.846 -11.040 4.204 187 HG3 LYS 25 HG1 LYS 25 12.241 -10.518 5.841 188 HD2 LYS 25 HD2 LYS 25 9.433 -10.908 4.768 189 HD3 LYS 25 HD1 LYS 25 10.312 -12.068 5.748 190 HE2 LYS 25 HE2 LYS 25 10.394 -10.503 7.597 191 HE3 LYS 25 HE1 LYS 25 9.624 -9.262 6.614 192 HZ1 LYS 25 HZ1 LYS 25 8.029 -10.307 8.058 193 HZ2 LYS 25 HZ2 LYS 25 8.370 -11.835 7.444 194 HZ3 LYS 25 HZ3 LYS 25 7.663 -10.664 6.456 195 H PHE 26 HN PHE 26 11.744 -7.295 1.956 196 HA PHE 26 HA PHE 26 11.039 -4.687 2.649 197 HB2 PHE 26 HB2 PHE 26 12.995 -5.094 1.284 198 HB3 PHE 26 HB1 PHE 26 12.013 -5.849 0.046 199 HD1 PHE 26 HD2 PHE 26 12.320 -2.536 1.760 200 HD2 PHE 26 HD1 PHE 26 11.469 -4.643 -1.835 201 HE1 PHE 26 HE2 PHE 26 12.053 -0.396 0.568 202 HE2 PHE 26 HE1 PHE 26 11.201 -2.508 -3.031 203 HZ PHE 26 HZ PHE 26 11.477 -0.383 -1.833 204 H GLU 27 HN GLU 27 9.776 -6.906 0.264 205 HA GLU 27 HA GLU 27 8.006 -5.055 -0.909 206 HB2 GLU 27 HB2 GLU 27 8.187 -8.061 -1.146 207 HB3 GLU 27 HB1 GLU 27 7.083 -7.069 -2.093 208 HG2 GLU 27 HG2 GLU 27 8.975 -5.852 -3.049 209 HG3 GLU 27 HG1 GLU 27 10.083 -6.818 -2.083 210 H GLU 28 HN GLU 28 7.799 -7.246 1.760 211 HA GLU 28 HA GLU 28 4.918 -6.994 2.090 212 HB2 GLU 28 HB2 GLU 28 6.865 -7.576 4.279 213 HB3 GLU 28 HB1 GLU 28 5.164 -7.987 4.191 214 HG2 GLU 28 HG2 GLU 28 5.994 -9.414 2.139 215 HG3 GLU 28 HG1 GLU 28 7.505 -9.258 2.964 216 H HIS 29 HN HIS 29 7.631 -5.186 2.930 217 HA HIS 29 HA HIS 29 5.989 -3.732 4.589 218 HB2 HIS 29 HB2 HIS 29 8.224 -3.690 5.333 219 HB3 HIS 29 HB1 HIS 29 8.843 -3.380 3.727 220 HD1 HIS 29 HD1 HIS 29 8.352 -1.746 6.917 221 HD2 HIS 29 HD2 HIS 29 8.303 -0.609 2.960 222 HE1 HIS 29 HE1 HIS 29 9.053 0.729 6.883 223 H VAL 30 HN VAL 30 7.164 -3.439 1.341 224 HA VAL 30 HA VAL 30 5.988 -0.882 0.619 225 HB VAL 30 HB VAL 30 6.415 -3.341 -1.136 226 HG11 VAL 30 HG11 VAL 30 4.965 -1.513 -2.076 227 HG12 VAL 30 HG12 VAL 30 6.425 -1.847 -2.996 228 HG13 VAL 30 HG13 VAL 30 6.369 -0.436 -1.950 229 HG21 VAL 30 HG21 VAL 30 8.299 -1.065 -0.586 230 HG22 VAL 30 HG22 VAL 30 8.546 -2.335 -1.788 231 HG23 VAL 30 HG23 VAL 30 8.496 -2.737 -0.068 232 H GLU 31 HN GLU 31 4.655 -4.131 0.456 233 HA GLU 31 HA GLU 31 2.193 -3.048 -0.438 234 HB2 GLU 31 HB2 GLU 31 1.360 -5.279 -0.385 235 HB3 GLU 31 HB1 GLU 31 3.065 -5.354 -0.856 236 HG2 GLU 31 HG2 GLU 31 3.713 -6.003 1.213 237 HG3 GLU 31 HG1 GLU 31 2.099 -5.838 1.905 238 H SER 32 HN SER 32 3.612 -3.200 2.627 239 HA SER 32 HA SER 32 1.213 -3.404 4.160 240 HB2 SER 32 HB2 SER 32 3.507 -3.935 5.063 241 HB3 SER 32 HB1 SER 32 3.878 -2.215 4.992 242 HG SER 32 HG SER 32 1.694 -2.261 6.299 243 H HIS 33 HN HIS 33 3.145 -0.848 2.722 244 HA HIS 33 HA HIS 33 1.632 1.284 3.810 245 HB2 HIS 33 HB2 HIS 33 3.413 1.077 1.439 246 HB3 HIS 33 HB1 HIS 33 2.585 2.573 1.878 247 HD1 HIS 33 HD1 HIS 33 3.566 3.852 3.952 248 HD2 HIS 33 HD2 HIS 33 5.304 0.170 3.231 249 HE1 HIS 33 HE1 HIS 33 5.490 3.648 5.560 250 H TRP 34 HN TRP 34 1.224 -0.766 0.950 251 HA TRP 34 HA TRP 34 -0.774 0.731 -0.212 252 HB2 TRP 34 HB2 TRP 34 0.154 -2.131 -0.254 253 HB3 TRP 34 HB1 TRP 34 -1.030 -1.423 -1.408 254 HD1 TRP 34 HD1 TRP 34 2.001 0.757 -0.836 255 HE1 TRP 34 HE1 TRP 34 3.545 0.290 -2.665 256 HE3 TRP 34 HE3 TRP 34 -0.132 -3.234 -2.433 257 HZ2 TRP 34 HZ2 TRP 34 3.947 -1.666 -4.734 258 HZ3 TRP 34 HZ3 TRP 34 0.841 -4.582 -4.448 259 HH2 TRP 34 HH2 TRP 34 2.877 -3.739 -5.531 260 H LYS 35 HN LYS 35 -2.713 0.865 0.450 261 HA LYS 35 HA LYS 35 -3.514 -0.492 2.858 262 HB2 LYS 35 HB2 LYS 35 -3.494 2.159 2.181 263 HB3 LYS 35 HB1 LYS 35 -5.150 1.713 1.821 264 HG2 LYS 35 HG2 LYS 35 -4.746 2.659 4.074 265 HG3 LYS 35 HG1 LYS 35 -5.580 1.095 4.072 266 HD2 LYS 35 HD2 LYS 35 -3.838 1.276 5.831 267 HD3 LYS 35 HD1 LYS 35 -3.481 -0.025 4.711 268 HE2 LYS 35 HE2 LYS 35 -1.919 1.539 3.524 269 HE3 LYS 35 HE1 LYS 35 -2.219 2.733 4.779 270 HZ1 LYS 35 HZ1 LYS 35 -1.385 1.051 6.392 271 HZ2 LYS 35 HZ2 LYS 35 -0.221 1.570 5.312 272 HZ3 LYS 35 HZ3 LYS 35 -0.929 0.065 5.111 273 H VAL 36 HN VAL 36 -4.741 -1.897 2.843 274 HA VAL 36 HA VAL 36 -6.081 -2.823 0.415 275 HB VAL 36 HB VAL 36 -4.497 -4.301 1.598 276 HG11 VAL 36 HG11 VAL 36 -6.446 -4.274 3.850 277 HG12 VAL 36 HG12 VAL 36 -4.811 -3.611 3.822 278 HG13 VAL 36 HG13 VAL 36 -5.057 -5.358 3.690 279 HG21 VAL 36 HG21 VAL 36 -6.236 -5.336 0.219 280 HG22 VAL 36 HG22 VAL 36 -7.330 -5.351 1.602 281 HG23 VAL 36 HG23 VAL 36 -5.869 -6.340 1.621 282 H CYS 37 HN CYS 37 -8.181 -3.147 0.153 283 HA CYS 37 HA CYS 37 -10.094 -2.394 2.185 284 HB2 CYS 37 HB2 CYS 37 -10.430 -1.854 -0.277 285 HB3 CYS 37 HB1 CYS 37 -10.355 -3.557 -0.576 286 HA PRO 38 HA PRO 38 -9.571 -6.695 3.543 287 HB2 PRO 38 HB2 PRO 38 -12.111 -6.177 4.984 288 HB3 PRO 38 HB1 PRO 38 -10.562 -6.727 5.629 289 HG2 PRO 38 HG2 PRO 38 -11.425 -4.230 6.039 290 HG3 PRO 38 HG1 PRO 38 -9.709 -4.583 5.760 291 HD2 PRO 38 HD2 PRO 38 -11.738 -3.503 3.803 292 HD3 PRO 38 HD1 PRO 38 -10.027 -3.028 4.066 293 H MET 39 HN MET 39 -12.530 -5.359 2.339 294 HA MET 39 HA MET 39 -13.701 -7.951 1.840 295 HB2 MET 39 HB2 MET 39 -14.709 -5.175 1.331 296 HB3 MET 39 HB1 MET 39 -15.583 -6.608 0.834 297 HG2 MET 39 HG2 MET 39 -16.507 -5.793 2.915 298 HG3 MET 39 HG1 MET 39 -15.720 -7.339 3.188 299 HE1 MET 39 HE1 MET 39 -14.064 -3.754 2.811 300 HE2 MET 39 HE2 MET 39 -13.953 -3.265 4.500 301 HE3 MET 39 HE3 MET 39 -15.534 -3.447 3.740 302 H CYS 40 HN CYS 40 -11.847 -5.646 0.024 303 HA CYS 40 HA CYS 40 -12.654 -7.003 -2.460 304 HB2 CYS 40 HB2 CYS 40 -11.527 -4.383 -1.807 305 HB3 CYS 40 HB1 CYS 40 -11.165 -5.035 -3.435 306 H SER 41 HN SER 41 -10.074 -6.593 -0.222 307 HA SER 41 HA SER 41 -8.067 -7.426 -0.008 308 HB2 SER 41 HB2 SER 41 -8.872 -9.358 -2.212 309 HB3 SER 41 HB1 SER 41 -7.477 -9.497 -1.129 310 HG SER 41 HG SER 41 -10.089 -10.116 -0.678 311 H GLU 42 HN GLU 42 -8.658 -5.184 -1.860 312 HA GLU 42 HA GLU 42 -6.431 -5.370 -3.604 313 HB2 GLU 42 HB2 GLU 42 -8.989 -3.837 -3.620 314 HB3 GLU 42 HB1 GLU 42 -7.565 -3.217 -4.433 315 HG2 GLU 42 HG2 GLU 42 -7.467 -5.269 -5.734 316 HG3 GLU 42 HG1 GLU 42 -8.972 -5.813 -4.976 317 H GLN 43 HN GLN 43 -5.063 -4.312 -3.305 318 HA GLN 43 HA GLN 43 -4.693 -2.571 -0.930 319 HB2 GLN 43 HB2 GLN 43 -2.869 -4.001 -2.788 320 HB3 GLN 43 HB1 GLN 43 -2.290 -3.069 -1.376 321 HG2 GLN 43 HG2 GLN 43 -3.785 -4.702 -0.048 322 HG3 GLN 43 HG1 GLN 43 -3.876 -5.612 -1.522 323 HE21 GLN 43 HE21 GLN 43 -2.868 -7.386 -0.473 324 HE22 GLN 43 HE22 GLN 43 -1.155 -7.382 -0.243 325 H PHE 44 HN PHE 44 -4.574 -0.532 -1.234 326 HA PHE 44 HA PHE 44 -4.185 0.572 -3.927 327 HB2 PHE 44 HB2 PHE 44 -5.540 1.664 -1.463 328 HB3 PHE 44 HB1 PHE 44 -5.252 2.606 -2.916 329 HD1 PHE 44 HD2 PHE 44 -7.092 -0.288 -1.513 330 HD2 PHE 44 HD1 PHE 44 -6.702 2.374 -4.806 331 HE1 PHE 44 HE2 PHE 44 -9.222 -1.114 -2.422 332 HE2 PHE 44 HE1 PHE 44 -8.833 1.559 -5.718 333 HZ PHE 44 HZ PHE 44 -10.097 -0.188 -4.530 334 HA PRO 45 HA PRO 45 -0.343 2.065 -2.498 335 HB2 PRO 45 HB2 PRO 45 0.009 4.268 -4.067 336 HB3 PRO 45 HB1 PRO 45 0.172 2.613 -4.664 337 HG2 PRO 45 HG2 PRO 45 -2.144 4.497 -4.891 338 HG3 PRO 45 HG1 PRO 45 -1.463 3.411 -6.115 339 HD2 PRO 45 HD2 PRO 45 -3.687 2.829 -4.688 340 HD3 PRO 45 HD1 PRO 45 -2.571 1.573 -5.282 341 HA PRO 46 HA PRO 46 -1.029 5.141 0.664 342 HB2 PRO 46 HB2 PRO 46 1.388 6.345 0.863 343 HB3 PRO 46 HB1 PRO 46 1.167 4.667 1.365 344 HG2 PRO 46 HG2 PRO 46 2.143 5.720 -1.258 345 HG3 PRO 46 HG1 PRO 46 2.881 4.500 -0.205 346 HD2 PRO 46 HD2 PRO 46 1.457 3.737 -2.289 347 HD3 PRO 46 HD1 PRO 46 1.265 2.884 -0.744 348 H ASP 47 HN ASP 47 -0.092 6.081 -2.501 349 HA ASP 47 HA ASP 47 -0.357 8.931 -2.015 350 HB2 ASP 47 HB2 ASP 47 0.353 9.217 -4.349 351 HB3 ASP 47 HB1 ASP 47 1.488 8.218 -3.453 352 H TYR 48 HN TYR 48 -2.561 6.580 -2.266 353 HA TYR 48 HA TYR 48 -4.322 7.775 -4.128 354 HB2 TYR 48 HB2 TYR 48 -3.919 5.258 -3.041 355 HB3 TYR 48 HB1 TYR 48 -5.215 5.892 -2.040 356 HD1 TYR 48 HD1 TYR 48 -4.244 5.388 -5.583 357 HD2 TYR 48 HD2 TYR 48 -7.409 5.706 -2.782 358 HE1 TYR 48 HE1 TYR 48 -5.834 4.735 -7.331 359 HE2 TYR 48 HE2 TYR 48 -9.018 5.073 -4.505 360 HH TYR 48 HH TYR 48 -9.195 5.049 -6.938 361 H ASP 49 HN ASP 49 -6.472 8.054 -2.784 362 HA ASP 49 HA ASP 49 -5.764 10.137 -0.817 363 HB2 ASP 49 HB2 ASP 49 -7.744 10.252 -2.938 364 HB3 ASP 49 HB1 ASP 49 -8.473 9.749 -1.519 365 H GLN 50 HN GLN 50 -6.241 9.910 1.117 366 HA GLN 50 HA GLN 50 -7.061 7.352 1.959 367 HB2 GLN 50 HB2 GLN 50 -5.637 8.991 3.314 368 HB3 GLN 50 HB1 GLN 50 -7.169 9.749 3.767 369 HG2 GLN 50 HG2 GLN 50 -7.951 7.492 4.452 370 HG3 GLN 50 HG1 GLN 50 -6.289 6.953 4.224 371 HE21 GLN 50 HE21 GLN 50 -8.466 8.769 6.200 372 HE22 GLN 50 HE22 GLN 50 -7.379 9.003 7.510 373 H GLN 51 HN GLN 51 -8.751 10.362 1.396 374 HA GLN 51 HA GLN 51 -11.114 9.517 2.733 375 HB2 GLN 51 HB2 GLN 51 -10.643 11.746 0.762 376 HB3 GLN 51 HB1 GLN 51 -12.180 11.458 1.567 377 HG2 GLN 51 HG2 GLN 51 -11.096 11.780 3.728 378 HG3 GLN 51 HG1 GLN 51 -9.571 12.102 2.910 379 HE21 GLN 51 HE21 GLN 51 -9.305 14.032 1.827 380 HE22 GLN 51 HE22 GLN 51 -10.380 15.362 2.051 381 H VAL 52 HN VAL 52 -9.888 9.298 -0.553 382 HA VAL 52 HA VAL 52 -12.418 8.450 -1.569 383 HB VAL 52 HB VAL 52 -11.343 7.930 -3.640 384 HG11 VAL 52 HG11 VAL 52 -11.711 10.196 -3.427 385 HG12 VAL 52 HG12 VAL 52 -10.185 9.927 -4.274 386 HG13 VAL 52 HG13 VAL 52 -10.181 10.433 -2.583 387 HG21 VAL 52 HG21 VAL 52 -9.484 6.679 -3.081 388 HG22 VAL 52 HG22 VAL 52 -8.739 7.974 -2.191 389 HG23 VAL 52 HG23 VAL 52 -8.872 8.080 -3.956 390 H PHE 53 HN PHE 53 -9.661 6.978 -0.144 391 HA PHE 53 HA PHE 53 -10.428 4.376 -0.806 392 HB2 PHE 53 HB2 PHE 53 -8.099 4.757 -0.428 393 HB3 PHE 53 HB1 PHE 53 -8.405 5.451 1.156 394 HD1 PHE 53 HD1 PHE 53 -8.721 2.272 -0.746 395 HD2 PHE 53 HD2 PHE 53 -8.221 4.143 3.041 396 HE1 PHE 53 HE1 PHE 53 -8.367 0.072 0.298 397 HE2 PHE 53 HE2 PHE 53 -7.865 1.957 4.082 398 HZ PHE 53 HZ PHE 53 -7.939 -0.086 2.715 399 H GLU 54 HN GLU 54 -10.652 6.385 2.160 400 HA GLU 54 HA GLU 54 -11.854 4.492 3.826 401 HB2 GLU 54 HB2 GLU 54 -12.155 7.505 3.814 402 HB3 GLU 54 HB1 GLU 54 -12.841 6.468 5.050 403 HG2 GLU 54 HG2 GLU 54 -9.889 6.813 4.468 404 HG3 GLU 54 HG1 GLU 54 -10.801 7.470 5.811 405 H ARG 55 HN ARG 55 -13.308 6.797 1.587 406 HA ARG 55 HA ARG 55 -16.005 6.170 2.044 407 HB2 ARG 55 HB2 ARG 55 -14.507 7.341 -0.225 408 HB3 ARG 55 HB1 ARG 55 -16.081 6.673 -0.596 409 HG2 ARG 55 HG2 ARG 55 -16.128 9.083 -0.197 410 HG3 ARG 55 HG1 ARG 55 -17.136 8.202 0.943 411 HD2 ARG 55 HD2 ARG 55 -15.542 8.509 2.684 412 HD3 ARG 55 HD1 ARG 55 -14.335 9.129 1.553 413 HE ARG 55 HE ARG 55 -16.372 10.795 1.195 414 HH11 ARG 55 HH11 ARG 55 -14.893 9.723 4.224 415 HH12 ARG 55 HH12 ARG 55 -15.022 11.219 5.007 416 HH21 ARG 55 HH21 ARG 55 -16.555 12.864 2.232 417 HH22 ARG 55 HH22 ARG 55 -16.005 13.070 3.825 418 H HIS 56 HN HIS 56 -13.699 4.731 -0.193 419 HA HIS 56 HA HIS 56 -15.387 2.898 -1.399 420 HB2 HIS 56 HB2 HIS 56 -13.192 3.303 -2.321 421 HB3 HIS 56 HB1 HIS 56 -12.415 2.779 -0.837 422 HD1 HIS 56 HD1 HIS 56 -14.393 1.313 -3.749 423 HD2 HIS 56 HD2 HIS 56 -11.752 0.169 -0.759 424 HE1 HIS 56 HE1 HIS 56 -13.817 -1.119 -4.201 425 H VAL 57 HN VAL 57 -13.417 2.549 1.518 426 HA VAL 57 HA VAL 57 -14.104 -0.181 1.918 427 HB VAL 57 HB VAL 57 -12.996 1.885 3.818 428 HG11 VAL 57 HG11 VAL 57 -12.289 -0.010 5.229 429 HG12 VAL 57 HG12 VAL 57 -13.131 -1.125 4.151 430 HG13 VAL 57 HG13 VAL 57 -14.046 0.067 5.088 431 HG21 VAL 57 HG21 VAL 57 -11.684 -0.300 2.223 432 HG22 VAL 57 HG22 VAL 57 -10.855 0.717 3.401 433 HG23 VAL 57 HG23 VAL 57 -11.552 1.435 1.944 434 H GLN 58 HN GLN 58 -15.290 2.865 3.119 435 HA GLN 58 HA GLN 58 -17.143 1.931 4.938 436 HB2 GLN 58 HB2 GLN 58 -16.908 4.428 3.354 437 HB3 GLN 58 HB1 GLN 58 -18.330 4.169 4.366 438 HG2 GLN 58 HG2 GLN 58 -15.497 4.020 5.359 439 HG3 GLN 58 HG1 GLN 58 -16.481 5.484 5.419 440 HE21 GLN 58 HE21 GLN 58 -16.102 2.236 6.654 441 HE22 GLN 58 HE22 GLN 58 -17.131 2.444 8.017 442 H THR 59 HN THR 59 -17.489 2.391 1.487 443 HA THR 59 HA THR 59 -20.272 1.986 1.485 444 HB THR 59 HB THR 59 -20.108 1.489 -0.976 445 HG1 THR 59 HG1 THR 59 -17.331 1.518 -0.372 446 HG21 THR 59 HG21 THR 59 -19.350 3.750 -1.564 447 HG22 THR 59 HG22 THR 59 -18.636 3.884 0.053 448 HG23 THR 59 HG23 THR 59 -20.382 3.732 -0.125 449 H HIS 60 HN HIS 60 -17.704 -0.288 1.592 450 HA HIS 60 HA HIS 60 -19.258 -2.567 0.878 451 HB2 HIS 60 HB2 HIS 60 -16.689 -2.335 2.466 452 HB3 HIS 60 HB1 HIS 60 -17.407 -3.876 2.021 453 HD1 HIS 60 HD1 HIS 60 -16.546 -4.827 -0.168 454 HD2 HIS 60 HD2 HIS 60 -16.060 -0.720 0.109 455 HE1 HIS 60 HE1 HIS 60 -14.990 -4.095 -2.129 456 H PHE 61 HN PHE 61 -18.657 -0.780 3.810 457 HA PHE 61 HA PHE 61 -20.051 -2.745 5.446 458 HB2 PHE 61 HB2 PHE 61 -18.705 -0.136 6.066 459 HB3 PHE 61 HB1 PHE 61 -19.608 -1.012 7.280 460 HD1 PHE 61 HD2 PHE 61 -18.862 -3.562 7.503 461 HD2 PHE 61 HD1 PHE 61 -16.463 -0.426 5.945 462 HE1 PHE 61 HE2 PHE 61 -16.840 -4.850 8.054 463 HE2 PHE 61 HE1 PHE 61 -14.431 -1.699 6.497 464 HZ PHE 61 HZ PHE 61 -14.617 -3.913 7.557 465 H ASP 62 HN ASP 62 -20.535 0.331 3.952 466 HA ASP 62 HA ASP 62 -22.846 1.093 5.432 467 HB2 ASP 62 HB2 ASP 62 -21.354 2.710 4.281 468 HB3 ASP 62 HB1 ASP 62 -21.866 2.038 2.740 469 H GLN 63 HN GLN 63 -22.249 -0.222 2.404 470 HA GLN 63 HA GLN 63 -23.307 -1.493 0.955 471 HB2 GLN 63 HB2 GLN 63 -23.295 -2.911 3.019 472 HB3 GLN 63 HB1 GLN 63 -24.956 -2.426 3.301 473 HG2 GLN 63 HG2 GLN 63 -24.903 -4.605 2.299 474 HG3 GLN 63 HG1 GLN 63 -25.601 -3.433 1.177 475 HE21 GLN 63 HE21 GLN 63 -22.144 -3.736 1.778 476 HE22 GLN 63 HE22 GLN 63 -21.747 -4.343 0.221 477 H ASN 64 HN ASN 64 -24.622 1.235 1.594 478 HA ASN 64 HA ASN 64 -27.390 0.729 0.950 479 HB2 ASN 64 HB2 ASN 64 -25.910 3.325 1.346 480 HB3 ASN 64 HB1 ASN 64 -27.562 3.283 0.741 481 HD21 ASN 64 HD21 ASN 64 -25.530 2.944 3.447 482 HD22 ASN 64 HD22 ASN 64 -26.762 2.776 4.652 483 H VAL 65 HN VAL 65 -24.800 0.501 -0.777 484 HA VAL 65 HA VAL 65 -25.549 1.656 -3.242 485 HB VAL 65 HB VAL 65 -23.242 0.808 -2.772 486 HG11 VAL 65 HG11 VAL 65 -22.729 -1.585 -2.879 487 HG12 VAL 65 HG12 VAL 65 -24.455 -1.939 -2.937 488 HG13 VAL 65 HG13 VAL 65 -23.760 -1.175 -1.508 489 HG21 VAL 65 HG21 VAL 65 -22.786 -0.277 -4.931 490 HG22 VAL 65 HG22 VAL 65 -23.871 1.103 -5.103 491 HG23 VAL 65 HG23 VAL 65 -24.516 -0.538 -5.146 492 H LEU 66 HN LEU 66 -26.621 -0.776 -1.472 493 HA LEU 66 HA LEU 66 -28.412 -1.916 -3.512 494 HB2 LEU 66 HB2 LEU 66 -26.952 -3.533 -2.327 495 HB3 LEU 66 HB1 LEU 66 -27.586 -2.983 -0.797 496 HG LEU 66 HG LEU 66 -29.833 -3.813 -1.533 497 HD11 LEU 66 HD11 LEU 66 -29.484 -3.848 -3.927 498 HD12 LEU 66 HD12 LEU 66 -29.871 -5.473 -3.357 499 HD13 LEU 66 HD13 LEU 66 -28.207 -5.047 -3.746 500 HD21 LEU 66 HD21 LEU 66 -29.292 -6.172 -1.091 501 HD22 LEU 66 HD22 LEU 66 -28.459 -5.077 0.009 502 HD23 LEU 66 HD23 LEU 66 -27.584 -5.808 -1.334 503 H ASN 67 HN ASN 67 -30.155 -0.697 -3.451 504 HA ASN 67 HA ASN 67 -31.911 -0.319 -1.267 505 HB2 ASN 67 HB2 ASN 67 -30.254 1.280 -0.371 506 HB3 ASN 67 HB1 ASN 67 -30.174 2.094 -1.923 507 HD21 ASN 67 HD21 ASN 67 -33.159 1.027 -0.234 508 HD22 ASN 67 HD22 ASN 67 -33.778 2.615 -0.055 509 H PHE 68 HN PHE 68 -30.550 1.503 -3.910 510 HA PHE 68 HA PHE 68 -32.906 2.513 -5.063 511 HB2 PHE 68 HB2 PHE 68 -30.349 1.784 -6.515 512 HB3 PHE 68 HB1 PHE 68 -31.470 3.071 -6.926 513 HD1 PHE 68 HD2 PHE 68 -31.620 5.065 -5.415 514 HD2 PHE 68 HD1 PHE 68 -28.565 2.143 -5.023 515 HE1 PHE 68 HE2 PHE 68 -30.284 6.646 -4.087 516 HE2 PHE 68 HE1 PHE 68 -27.226 3.706 -3.689 517 HZ PHE 68 HZ PHE 68 -28.082 5.963 -3.218 518 H ASP 69 HN ASP 69 -30.845 -0.229 -5.686 519 HA ASP 69 HA ASP 69 -32.598 -2.202 -5.902 520 HB2 ASP 69 HB2 ASP 69 -33.322 -1.099 -8.095 521 HB3 ASP 69 HB1 ASP 69 -31.662 -1.276 -8.656 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 30.337 5.415 4.236 2 H2 GLY 1 HT2 GLY 1 28.959 5.521 3.243 3 H3 GLY 1 HT3 GLY 1 29.308 6.755 4.328 4 HA2 GLY 1 HA1 GLY 1 31.212 7.401 3.143 5 HA3 GLY 1 HA2 GLY 1 30.991 6.045 2.042 6 HA PRO 2 HA PRO 2 28.770 10.013 0.529 7 HB2 PRO 2 HB2 PRO 2 29.836 9.744 -2.036 8 HB3 PRO 2 HB1 PRO 2 30.437 10.850 -0.800 9 HG2 PRO 2 HG2 PRO 2 31.447 8.149 -1.581 10 HG3 PRO 2 HG1 PRO 2 32.359 9.589 -1.104 11 HD2 PRO 2 HD2 PRO 2 32.006 7.548 0.591 12 HD3 PRO 2 HD1 PRO 2 31.978 9.230 1.161 13 H HIS 3 HN HIS 3 29.488 6.929 -0.993 14 HA HIS 3 HA HIS 3 26.831 6.835 -2.201 15 HB2 HIS 3 HB2 HIS 3 29.155 4.884 -2.357 16 HB3 HIS 3 HB1 HIS 3 27.624 4.694 -3.189 17 HD1 HIS 3 HD1 HIS 3 27.424 5.824 -5.449 18 HD2 HIS 3 HD2 HIS 3 30.778 7.012 -3.323 19 HE1 HIS 3 HE1 HIS 3 28.842 7.156 -7.064 20 H MET 4 HN MET 4 25.238 6.033 -0.846 21 HA MET 4 HA MET 4 26.134 4.377 1.305 22 HB2 MET 4 HB2 MET 4 23.604 5.973 0.882 23 HB3 MET 4 HB1 MET 4 23.909 4.929 2.263 24 HG2 MET 4 HG2 MET 4 25.808 6.330 2.902 25 HG3 MET 4 HG1 MET 4 25.504 7.372 1.514 26 HE1 MET 4 HE1 MET 4 24.200 6.098 4.981 27 HE2 MET 4 HE2 MET 4 22.844 5.671 3.938 28 HE3 MET 4 HE3 MET 4 22.663 6.947 5.143 29 H ASP 5 HN ASP 5 24.045 3.185 1.835 30 HA ASP 5 HA ASP 5 23.780 1.212 -0.309 31 HB2 ASP 5 HB2 ASP 5 24.651 0.346 1.782 32 HB3 ASP 5 HB1 ASP 5 23.264 0.987 2.654 33 H VAL 6 HN VAL 6 22.107 1.470 -1.506 34 HA VAL 6 HA VAL 6 19.432 1.664 -0.527 35 HB VAL 6 HB VAL 6 20.290 4.002 -0.364 36 HG11 VAL 6 HG11 VAL 6 20.640 5.367 -2.393 37 HG12 VAL 6 HG12 VAL 6 20.626 3.873 -3.337 38 HG13 VAL 6 HG13 VAL 6 21.871 4.136 -2.117 39 HG21 VAL 6 HG21 VAL 6 18.103 3.648 -2.399 40 HG22 VAL 6 HG22 VAL 6 18.400 5.124 -1.474 41 HG23 VAL 6 HG23 VAL 6 17.913 3.641 -0.651 42 H HIS 7 HN HIS 7 20.566 -0.246 -1.650 43 HA HIS 7 HA HIS 7 20.319 0.043 -4.446 44 HB2 HIS 7 HB2 HIS 7 21.129 -2.403 -2.866 45 HB3 HIS 7 HB1 HIS 7 21.017 -2.409 -4.619 46 HD1 HIS 7 HD1 HIS 7 23.116 -1.687 -5.862 47 HD2 HIS 7 HD2 HIS 7 23.132 -0.511 -1.871 48 HE1 HIS 7 HE1 HIS 7 25.391 -0.699 -5.426 49 H LYS 8 HN LYS 8 18.244 -0.447 -2.166 50 HA LYS 8 HA LYS 8 16.136 -1.357 -3.890 51 HB2 LYS 8 HB2 LYS 8 16.857 -2.785 -1.306 52 HB3 LYS 8 HB1 LYS 8 15.261 -2.897 -2.031 53 HG2 LYS 8 HG2 LYS 8 16.232 -4.012 -3.979 54 HG3 LYS 8 HG1 LYS 8 17.847 -3.812 -3.300 55 HD2 LYS 8 HD2 LYS 8 17.230 -5.223 -1.392 56 HD3 LYS 8 HD1 LYS 8 15.596 -5.384 -2.021 57 HE2 LYS 8 HE2 LYS 8 18.079 -6.307 -3.473 58 HE3 LYS 8 HE1 LYS 8 17.080 -7.350 -2.467 59 HZ1 LYS 8 HZ1 LYS 8 15.246 -7.008 -3.931 60 HZ2 LYS 8 HZ2 LYS 8 16.556 -7.506 -4.859 61 HZ3 LYS 8 HZ3 LYS 8 16.084 -5.893 -4.865 62 H LYS 9 HN LYS 9 14.423 -0.134 -3.437 63 HA LYS 9 HA LYS 9 14.150 1.091 -0.759 64 HB2 LYS 9 HB2 LYS 9 13.323 2.606 -3.234 65 HB3 LYS 9 HB1 LYS 9 13.412 3.167 -1.598 66 HG2 LYS 9 HG2 LYS 9 15.164 4.258 -2.615 67 HG3 LYS 9 HG1 LYS 9 15.959 2.886 -1.846 68 HD2 LYS 9 HD2 LYS 9 16.786 3.256 -4.141 69 HD3 LYS 9 HD1 LYS 9 15.990 1.692 -3.977 70 HE2 LYS 9 HE2 LYS 9 15.387 2.867 -6.066 71 HE3 LYS 9 HE1 LYS 9 13.985 2.551 -5.069 72 HZ1 LYS 9 HZ1 LYS 9 14.026 4.890 -4.343 73 HZ2 LYS 9 HZ2 LYS 9 13.947 4.771 -5.997 74 HZ3 LYS 9 HZ3 LYS 9 15.415 5.165 -5.255 75 H CYS 10 HN CYS 10 12.173 1.151 -0.023 76 HA CYS 10 HA CYS 10 10.085 -0.282 -1.357 77 HB2 CYS 10 HB2 CYS 10 10.258 0.147 1.146 78 HB3 CYS 10 HB1 CYS 10 9.892 1.810 0.805 79 HA PRO 11 HA PRO 11 9.862 3.173 -4.148 80 HB2 PRO 11 HB2 PRO 11 7.787 2.400 -5.708 81 HB3 PRO 11 HB1 PRO 11 9.397 1.671 -5.816 82 HG2 PRO 11 HG2 PRO 11 6.940 0.648 -4.446 83 HG3 PRO 11 HG1 PRO 11 8.143 -0.238 -5.394 84 HD2 PRO 11 HD2 PRO 11 8.092 -0.210 -2.672 85 HD3 PRO 11 HD1 PRO 11 9.567 -0.444 -3.617 86 H LEU 12 HN LEU 12 7.420 2.349 -2.001 87 HA LEU 12 HA LEU 12 5.810 4.646 -2.806 88 HB2 LEU 12 HB2 LEU 12 5.081 2.655 -0.709 89 HB3 LEU 12 HB1 LEU 12 4.020 3.720 -1.605 90 HG LEU 12 HG LEU 12 5.460 1.308 -2.666 91 HD11 LEU 12 HD11 LEU 12 2.555 1.764 -2.188 92 HD12 LEU 12 HD12 LEU 12 3.639 0.666 -1.338 93 HD13 LEU 12 HD13 LEU 12 3.257 0.387 -3.034 94 HD21 LEU 12 HD21 LEU 12 4.195 1.719 -4.778 95 HD22 LEU 12 HD22 LEU 12 5.453 2.888 -4.405 96 HD23 LEU 12 HD23 LEU 12 3.766 3.324 -4.144 97 H CYS 13 HN CYS 13 8.180 3.874 -0.465 98 HA CYS 13 HA CYS 13 7.480 6.418 0.854 99 HB2 CYS 13 HB2 CYS 13 8.220 5.605 3.040 100 HB3 CYS 13 HB1 CYS 13 6.784 4.757 2.446 101 H GLU 14 HN GLU 14 9.825 4.539 -0.546 102 HA GLU 14 HA GLU 14 11.921 4.713 -1.073 103 HB2 GLU 14 HB2 GLU 14 11.767 7.495 0.078 104 HB3 GLU 14 HB1 GLU 14 13.179 6.856 -0.748 105 HG2 GLU 14 HG2 GLU 14 10.435 7.228 -1.908 106 HG3 GLU 14 HG1 GLU 14 11.856 8.200 -2.257 107 H LEU 15 HN LEU 15 10.980 3.828 1.604 108 HA LEU 15 HA LEU 15 13.110 4.068 3.437 109 HB2 LEU 15 HB2 LEU 15 10.926 3.005 3.978 110 HB3 LEU 15 HB1 LEU 15 11.337 1.676 2.918 111 HG LEU 15 HG LEU 15 13.216 1.082 4.415 112 HD11 LEU 15 HD11 LEU 15 13.648 3.282 5.376 113 HD12 LEU 15 HD12 LEU 15 13.334 2.079 6.632 114 HD13 LEU 15 HD13 LEU 15 12.077 3.228 6.178 115 HD21 LEU 15 HD21 LEU 15 11.856 0.194 6.196 116 HD22 LEU 15 HD22 LEU 15 11.008 0.059 4.645 117 HD23 LEU 15 HD23 LEU 15 10.563 1.318 5.785 118 H MET 16 HN MET 16 14.960 3.254 3.543 119 HA MET 16 HA MET 16 16.097 2.289 1.060 120 HB2 MET 16 HB2 MET 16 17.265 3.210 3.657 121 HB3 MET 16 HB1 MET 16 18.243 2.786 2.243 122 HG2 MET 16 HG2 MET 16 17.275 4.648 1.015 123 HG3 MET 16 HG1 MET 16 16.153 4.963 2.329 124 HE1 MET 16 HE1 MET 16 20.717 5.652 2.711 125 HE2 MET 16 HE2 MET 16 19.959 5.134 1.215 126 HE3 MET 16 HE3 MET 16 19.990 4.045 2.607 127 H PHE 17 HN PHE 17 16.601 0.224 0.705 128 HA PHE 17 HA PHE 17 16.943 -1.556 3.001 129 HB2 PHE 17 HB2 PHE 17 15.768 -2.194 0.291 130 HB3 PHE 17 HB1 PHE 17 16.070 -3.368 1.555 131 HD1 PHE 17 HD2 PHE 17 14.935 -2.335 3.919 132 HD2 PHE 17 HD1 PHE 17 13.594 -1.837 -0.080 133 HE1 PHE 17 HE2 PHE 17 12.639 -1.997 4.729 134 HE2 PHE 17 HE1 PHE 17 11.312 -1.508 0.715 135 HZ PHE 17 HZ PHE 17 10.819 -1.583 3.123 136 HA PRO 18 HA PRO 18 20.846 -2.536 1.027 137 HB2 PRO 18 HB2 PRO 18 21.335 -4.900 2.242 138 HB3 PRO 18 HB1 PRO 18 21.432 -3.369 3.119 139 HG2 PRO 18 HG2 PRO 18 19.195 -5.353 3.030 140 HG3 PRO 18 HG1 PRO 18 19.907 -4.541 4.438 141 HD2 PRO 18 HD2 PRO 18 17.616 -3.690 3.304 142 HD3 PRO 18 HD1 PRO 18 18.790 -2.578 4.035 143 HA PRO 19 HA PRO 19 19.766 -5.433 -2.265 144 HB2 PRO 19 HB2 PRO 19 22.176 -6.433 -2.958 145 HB3 PRO 19 HB1 PRO 19 21.713 -4.770 -3.345 146 HG2 PRO 19 HG2 PRO 19 23.442 -5.793 -1.127 147 HG3 PRO 19 HG1 PRO 19 23.665 -4.365 -2.152 148 HD2 PRO 19 HD2 PRO 19 22.682 -4.222 0.380 149 HD3 PRO 19 HD1 PRO 19 22.229 -3.079 -0.895 150 H ASN 20 HN ASN 20 20.626 -6.426 0.690 151 HA ASN 20 HA ASN 20 20.353 -9.182 -0.141 152 HB2 ASN 20 HB2 ASN 20 22.484 -8.745 1.047 153 HB3 ASN 20 HB1 ASN 20 21.590 -8.132 2.427 154 HD21 ASN 20 HD21 ASN 20 22.520 -10.972 0.644 155 HD22 ASN 20 HD22 ASN 20 22.114 -12.119 1.860 156 H TYR 21 HN TYR 21 18.428 -6.725 0.841 157 HA TYR 21 HA TYR 21 17.059 -7.721 2.989 158 HB2 TYR 21 HB2 TYR 21 17.072 -5.444 2.120 159 HB3 TYR 21 HB1 TYR 21 16.002 -5.935 0.792 160 HD1 TYR 21 HD1 TYR 21 16.460 -5.660 4.336 161 HD2 TYR 21 HD2 TYR 21 13.668 -6.102 1.248 162 HE1 TYR 21 HE1 TYR 21 14.619 -5.261 5.993 163 HE2 TYR 21 HE2 TYR 21 11.790 -5.721 2.830 164 HH TYR 21 HH TYR 21 12.298 -4.471 5.923 165 H ASP 22 HN ASP 22 15.083 -8.452 2.951 166 HA ASP 22 HA ASP 22 14.739 -10.847 1.366 167 HB2 ASP 22 HB2 ASP 22 13.944 -10.490 3.921 168 HB3 ASP 22 HB1 ASP 22 12.657 -9.740 3.047 169 H GLN 23 HN GLN 23 13.744 -11.016 -0.274 170 HA GLN 23 HA GLN 23 12.442 -8.996 -1.710 171 HB2 GLN 23 HB2 GLN 23 12.677 -11.918 -1.998 172 HB3 GLN 23 HB1 GLN 23 11.680 -10.989 -3.112 173 HG2 GLN 23 HG2 GLN 23 14.645 -10.706 -2.582 174 HG3 GLN 23 HG1 GLN 23 13.893 -11.331 -4.053 175 HE21 GLN 23 HE21 GLN 23 12.889 -9.877 -5.451 176 HE22 GLN 23 HE22 GLN 23 13.194 -8.181 -5.395 177 H SER 24 HN SER 24 11.186 -11.615 0.262 178 HA SER 24 HA SER 24 8.513 -11.201 -0.592 179 HB2 SER 24 HB2 SER 24 9.252 -13.378 0.350 180 HB3 SER 24 HB1 SER 24 9.508 -12.602 1.910 181 HG SER 24 HG SER 24 7.338 -12.380 2.186 182 H LYS 25 HN LYS 25 10.329 -10.451 2.340 183 HA LYS 25 HA LYS 25 8.403 -9.000 3.742 184 HB2 LYS 25 HB2 LYS 25 11.390 -8.600 3.670 185 HB3 LYS 25 HB1 LYS 25 10.439 -7.841 4.859 186 HG2 LYS 25 HG2 LYS 25 10.536 -10.835 4.611 187 HG3 LYS 25 HG1 LYS 25 11.707 -9.922 5.544 188 HD2 LYS 25 HD2 LYS 25 10.123 -10.663 7.126 189 HD3 LYS 25 HD1 LYS 25 9.705 -8.984 6.841 190 HE2 LYS 25 HE2 LYS 25 7.731 -10.352 6.979 191 HE3 LYS 25 HE1 LYS 25 7.859 -9.731 5.350 192 HZ1 LYS 25 HZ1 LYS 25 9.015 -11.978 4.881 193 HZ2 LYS 25 HZ2 LYS 25 7.375 -11.917 5.017 194 HZ3 LYS 25 HZ3 LYS 25 8.292 -12.498 6.317 195 H PHE 26 HN PHE 26 10.516 -7.969 1.159 196 HA PHE 26 HA PHE 26 10.129 -5.217 1.156 197 HB2 PHE 26 HB2 PHE 26 11.744 -6.354 -0.289 198 HB3 PHE 26 HB1 PHE 26 10.447 -7.153 -1.148 199 HD1 PHE 26 HD1 PHE 26 12.013 -3.870 -0.523 200 HD2 PHE 26 HD2 PHE 26 9.369 -6.124 -2.981 201 HE1 PHE 26 HE1 PHE 26 11.974 -2.038 -2.163 202 HE2 PHE 26 HE2 PHE 26 9.319 -4.293 -4.621 203 HZ PHE 26 HZ PHE 26 10.622 -2.248 -4.214 204 H GLU 27 HN GLU 27 8.224 -7.770 -0.437 205 HA GLU 27 HA GLU 27 6.342 -5.940 -1.560 206 HB2 GLU 27 HB2 GLU 27 6.172 -8.920 -1.208 207 HB3 GLU 27 HB1 GLU 27 5.055 -7.937 -2.138 208 HG2 GLU 27 HG2 GLU 27 6.944 -7.292 -3.600 209 HG3 GLU 27 HG1 GLU 27 7.950 -8.445 -2.713 210 H GLU 28 HN GLU 28 6.623 -7.879 1.264 211 HA GLU 28 HA GLU 28 3.928 -7.458 2.186 212 HB2 GLU 28 HB2 GLU 28 6.328 -8.179 3.863 213 HB3 GLU 28 HB1 GLU 28 4.628 -8.469 4.239 214 HG2 GLU 28 HG2 GLU 28 4.617 -9.892 2.078 215 HG3 GLU 28 HG1 GLU 28 6.321 -9.742 2.170 216 H HIS 29 HN HIS 29 6.691 -5.566 2.267 217 HA HIS 29 HA HIS 29 5.313 -3.923 4.032 218 HB2 HIS 29 HB2 HIS 29 7.758 -3.793 4.187 219 HB3 HIS 29 HB1 HIS 29 7.887 -3.411 2.485 220 HD1 HIS 29 HD1 HIS 29 9.361 -1.546 4.384 221 HD2 HIS 29 HD2 HIS 29 5.411 -0.941 3.324 222 HE1 HIS 29 HE1 HIS 29 8.934 0.961 4.501 223 H VAL 30 HN VAL 30 5.905 -4.061 0.561 224 HA VAL 30 HA VAL 30 4.549 -1.599 -0.186 225 HB VAL 30 HB VAL 30 4.736 -4.142 -1.860 226 HG11 VAL 30 HG11 VAL 30 4.632 -1.243 -2.654 227 HG12 VAL 30 HG12 VAL 30 3.257 -2.355 -2.718 228 HG13 VAL 30 HG13 VAL 30 4.666 -2.614 -3.755 229 HG21 VAL 30 HG21 VAL 30 6.815 -3.256 -2.809 230 HG22 VAL 30 HG22 VAL 30 6.978 -3.593 -1.085 231 HG23 VAL 30 HG23 VAL 30 6.779 -1.934 -1.643 232 H GLU 31 HN GLU 31 3.309 -4.871 0.223 233 HA GLU 31 HA GLU 31 0.686 -3.990 -0.426 234 HB2 GLU 31 HB2 GLU 31 -0.031 -6.263 0.073 235 HB3 GLU 31 HB1 GLU 31 1.567 -6.300 -0.681 236 HG2 GLU 31 HG2 GLU 31 2.627 -6.725 1.204 237 HG3 GLU 31 HG1 GLU 31 1.219 -6.470 2.252 238 H SER 32 HN SER 32 2.554 -3.641 2.360 239 HA SER 32 HA SER 32 0.318 -3.518 4.191 240 HB2 SER 32 HB2 SER 32 2.587 -4.227 4.990 241 HB3 SER 32 HB1 SER 32 3.196 -2.624 4.593 242 HG SER 32 HG SER 32 1.243 -2.041 6.049 243 H HIS 33 HN HIS 33 2.142 -1.480 2.089 244 HA HIS 33 HA HIS 33 1.149 1.022 3.042 245 HB2 HIS 33 HB2 HIS 33 2.448 0.097 0.529 246 HB3 HIS 33 HB1 HIS 33 1.645 1.652 0.563 247 HD1 HIS 33 HD1 HIS 33 2.774 2.582 3.420 248 HD2 HIS 33 HD2 HIS 33 4.892 0.939 0.287 249 HE1 HIS 33 HE1 HIS 33 5.053 3.676 3.481 250 H TRP 34 HN TRP 34 0.120 -1.458 0.625 251 HA TRP 34 HA TRP 34 -1.899 -0.038 -0.479 252 HB2 TRP 34 HB2 TRP 34 -1.192 -2.918 -0.088 253 HB3 TRP 34 HB1 TRP 34 -2.569 -2.357 -1.102 254 HD1 TRP 34 HD1 TRP 34 0.472 -0.288 -1.630 255 HE1 TRP 34 HE1 TRP 34 1.649 -1.215 -3.590 256 HE3 TRP 34 HE3 TRP 34 -1.881 -4.473 -1.827 257 HZ2 TRP 34 HZ2 TRP 34 1.642 -3.618 -5.187 258 HZ3 TRP 34 HZ3 TRP 34 -1.330 -6.270 -3.629 259 HH2 TRP 34 HH2 TRP 34 0.441 -5.776 -5.260 260 H LYS 35 HN LYS 35 -3.665 0.492 0.377 261 HA LYS 35 HA LYS 35 -4.389 -0.036 3.073 262 HB2 LYS 35 HB2 LYS 35 -5.875 1.421 0.896 263 HB3 LYS 35 HB1 LYS 35 -6.371 1.377 2.578 264 HG2 LYS 35 HG2 LYS 35 -3.779 2.546 1.570 265 HG3 LYS 35 HG1 LYS 35 -5.232 3.477 1.927 266 HD2 LYS 35 HD2 LYS 35 -3.725 1.779 3.929 267 HD3 LYS 35 HD1 LYS 35 -3.550 3.523 3.758 268 HE2 LYS 35 HE2 LYS 35 -5.938 3.810 4.295 269 HE3 LYS 35 HE1 LYS 35 -6.108 2.068 4.475 270 HZ1 LYS 35 HZ1 LYS 35 -5.875 3.122 6.585 271 HZ2 LYS 35 HZ2 LYS 35 -4.395 3.824 6.149 272 HZ3 LYS 35 HZ3 LYS 35 -4.532 2.153 6.302 273 H VAL 36 HN VAL 36 -5.003 -1.622 3.694 274 HA VAL 36 HA VAL 36 -6.657 -3.412 2.112 275 HB VAL 36 HB VAL 36 -4.649 -4.264 3.214 276 HG11 VAL 36 HG11 VAL 36 -6.025 -3.689 5.806 277 HG12 VAL 36 HG12 VAL 36 -4.603 -2.891 5.140 278 HG13 VAL 36 HG13 VAL 36 -4.512 -4.594 5.618 279 HG21 VAL 36 HG21 VAL 36 -6.436 -5.843 2.726 280 HG22 VAL 36 HG22 VAL 36 -7.200 -5.481 4.272 281 HG23 VAL 36 HG23 VAL 36 -5.637 -6.297 4.233 282 H CYS 37 HN CYS 37 -8.729 -3.707 2.394 283 HA CYS 37 HA CYS 37 -10.086 -2.049 4.246 284 HB2 CYS 37 HB2 CYS 37 -10.816 -2.161 1.966 285 HB3 CYS 37 HB1 CYS 37 -10.873 -3.917 2.061 286 HA PRO 38 HA PRO 38 -10.277 -5.147 7.358 287 HB2 PRO 38 HB2 PRO 38 -12.495 -4.238 8.693 288 HB3 PRO 38 HB1 PRO 38 -10.880 -3.533 8.854 289 HG2 PRO 38 HG2 PRO 38 -13.186 -2.628 7.175 290 HG3 PRO 38 HG1 PRO 38 -12.078 -1.661 8.161 291 HD2 PRO 38 HD2 PRO 38 -11.813 -1.875 5.489 292 HD3 PRO 38 HD1 PRO 38 -10.389 -1.749 6.557 293 H MET 39 HN MET 39 -13.299 -4.381 5.628 294 HA MET 39 HA MET 39 -14.370 -6.958 6.305 295 HB2 MET 39 HB2 MET 39 -15.733 -4.863 6.121 296 HB3 MET 39 HB1 MET 39 -15.451 -4.931 4.380 297 HG2 MET 39 HG2 MET 39 -16.292 -7.360 4.643 298 HG3 MET 39 HG1 MET 39 -17.004 -6.714 6.126 299 HE1 MET 39 HE1 MET 39 -19.168 -3.770 4.444 300 HE2 MET 39 HE2 MET 39 -17.506 -3.730 5.024 301 HE3 MET 39 HE3 MET 39 -18.756 -4.498 6.016 302 H CYS 40 HN CYS 40 -12.772 -5.334 3.558 303 HA CYS 40 HA CYS 40 -13.845 -7.361 1.755 304 HB2 CYS 40 HB2 CYS 40 -12.298 -4.854 1.325 305 HB3 CYS 40 HB1 CYS 40 -12.635 -5.977 0.040 306 H SER 41 HN SER 41 -10.978 -6.602 3.407 307 HA SER 41 HA SER 41 -8.998 -7.366 3.559 308 HB2 SER 41 HB2 SER 41 -8.553 -9.798 3.180 309 HB3 SER 41 HB1 SER 41 -9.939 -9.485 4.203 310 HG SER 41 HG SER 41 -10.856 -9.639 1.742 311 H GLU 42 HN GLU 42 -9.712 -5.955 1.157 312 HA GLU 42 HA GLU 42 -7.754 -6.921 -0.687 313 HB2 GLU 42 HB2 GLU 42 -10.486 -6.069 -0.987 314 HB3 GLU 42 HB1 GLU 42 -9.403 -4.958 -1.812 315 HG2 GLU 42 HG2 GLU 42 -9.255 -7.904 -2.129 316 HG3 GLU 42 HG1 GLU 42 -10.239 -6.882 -3.205 317 H GLN 43 HN GLN 43 -6.535 -5.770 -1.225 318 HA GLN 43 HA GLN 43 -5.689 -3.408 0.407 319 HB2 GLN 43 HB2 GLN 43 -4.276 -5.296 -1.406 320 HB3 GLN 43 HB1 GLN 43 -3.436 -4.029 -0.464 321 HG2 GLN 43 HG2 GLN 43 -4.283 -5.257 1.575 322 HG3 GLN 43 HG1 GLN 43 -4.909 -6.479 0.492 323 HE21 GLN 43 HE21 GLN 43 -2.877 -6.756 2.568 324 HE22 GLN 43 HE22 GLN 43 -1.473 -7.358 1.750 325 H PHE 44 HN PHE 44 -5.800 -1.523 -0.482 326 HA PHE 44 HA PHE 44 -6.156 -1.186 -3.373 327 HB2 PHE 44 HB2 PHE 44 -6.799 0.548 -0.989 328 HB3 PHE 44 HB1 PHE 44 -6.828 1.187 -2.624 329 HD1 PHE 44 HD1 PHE 44 -8.214 -1.658 -0.622 330 HD2 PHE 44 HD2 PHE 44 -8.832 1.137 -3.777 331 HE1 PHE 44 HE1 PHE 44 -10.512 -2.478 -0.900 332 HE2 PHE 44 HE2 PHE 44 -11.120 0.312 -4.062 333 HZ PHE 44 HZ PHE 44 -11.964 -1.497 -2.627 334 HA PRO 45 HA PRO 45 -2.117 0.285 -4.094 335 HB2 PRO 45 HB2 PRO 45 -2.599 2.524 -5.650 336 HB3 PRO 45 HB1 PRO 45 -2.541 0.875 -6.256 337 HG2 PRO 45 HG2 PRO 45 -4.886 2.565 -5.552 338 HG3 PRO 45 HG1 PRO 45 -4.702 1.400 -6.876 339 HD2 PRO 45 HD2 PRO 45 -6.093 0.857 -4.655 340 HD3 PRO 45 HD1 PRO 45 -5.173 -0.415 -5.499 341 HA PRO 46 HA PRO 46 -0.874 3.562 -1.296 342 HB2 PRO 46 HB2 PRO 46 1.116 4.733 -2.769 343 HB3 PRO 46 HB1 PRO 46 1.360 3.220 -1.897 344 HG2 PRO 46 HG2 PRO 46 0.650 3.641 -4.787 345 HG3 PRO 46 HG1 PRO 46 1.875 2.560 -4.102 346 HD2 PRO 46 HD2 PRO 46 -0.430 1.573 -4.860 347 HD3 PRO 46 HD1 PRO 46 0.247 1.059 -3.298 348 H ASP 47 HN ASP 47 -1.743 4.182 -4.552 349 HA ASP 47 HA ASP 47 -1.809 7.037 -4.511 350 HB2 ASP 47 HB2 ASP 47 -3.154 5.095 -6.401 351 HB3 ASP 47 HB1 ASP 47 -2.942 6.820 -6.671 352 H TYR 48 HN TYR 48 -3.832 4.629 -3.226 353 HA TYR 48 HA TYR 48 -6.254 6.084 -3.496 354 HB2 TYR 48 HB2 TYR 48 -5.540 3.402 -2.947 355 HB3 TYR 48 HB1 TYR 48 -6.272 4.089 -1.487 356 HD1 TYR 48 HD1 TYR 48 -6.844 3.345 -5.038 357 HD2 TYR 48 HD2 TYR 48 -8.574 4.598 -1.370 358 HE1 TYR 48 HE1 TYR 48 -9.077 3.072 -6.010 359 HE2 TYR 48 HE2 TYR 48 -10.807 4.340 -2.319 360 HH TYR 48 HH TYR 48 -11.420 2.674 -5.177 361 H ASP 49 HN ASP 49 -6.472 7.676 -2.381 362 HA ASP 49 HA ASP 49 -5.055 8.553 -0.122 363 HB2 ASP 49 HB2 ASP 49 -6.586 9.897 -1.860 364 HB3 ASP 49 HB1 ASP 49 -7.821 9.385 -0.772 365 H GLN 50 HN GLN 50 -5.775 8.556 1.874 366 HA GLN 50 HA GLN 50 -7.234 6.277 2.711 367 HB2 GLN 50 HB2 GLN 50 -7.029 7.003 4.956 368 HB3 GLN 50 HB1 GLN 50 -5.492 7.219 4.108 369 HG2 GLN 50 HG2 GLN 50 -5.683 9.530 4.174 370 HG3 GLN 50 HG1 GLN 50 -7.425 9.463 4.490 371 HE21 GLN 50 HE21 GLN 50 -8.150 8.881 6.477 372 HE22 GLN 50 HE22 GLN 50 -7.206 8.917 7.893 373 H GLN 51 HN GLN 51 -8.107 9.562 2.236 374 HA GLN 51 HA GLN 51 -10.669 9.375 3.536 375 HB2 GLN 51 HB2 GLN 51 -11.234 11.522 2.526 376 HB3 GLN 51 HB1 GLN 51 -9.577 11.570 3.092 377 HG2 GLN 51 HG2 GLN 51 -8.819 11.153 0.777 378 HG3 GLN 51 HG1 GLN 51 -10.496 11.257 0.253 379 HE21 GLN 51 HE21 GLN 51 -7.759 12.970 1.422 380 HE22 GLN 51 HE22 GLN 51 -8.345 14.568 1.145 381 H VAL 52 HN VAL 52 -9.494 8.777 0.339 382 HA VAL 52 HA VAL 52 -12.038 8.349 -0.876 383 HB VAL 52 HB VAL 52 -9.203 7.611 -1.736 384 HG11 VAL 52 HG11 VAL 52 -10.830 6.233 -2.935 385 HG12 VAL 52 HG12 VAL 52 -10.029 7.440 -3.942 386 HG13 VAL 52 HG13 VAL 52 -11.700 7.709 -3.423 387 HG21 VAL 52 HG21 VAL 52 -10.971 9.863 -2.575 388 HG22 VAL 52 HG22 VAL 52 -9.349 9.514 -3.182 389 HG23 VAL 52 HG23 VAL 52 -9.583 9.996 -1.489 390 H PHE 53 HN PHE 53 -9.543 6.437 0.638 391 HA PHE 53 HA PHE 53 -10.679 3.892 0.236 392 HB2 PHE 53 HB2 PHE 53 -8.341 4.140 0.816 393 HB3 PHE 53 HB1 PHE 53 -8.772 4.931 2.324 394 HD1 PHE 53 HD2 PHE 53 -9.172 1.710 0.508 395 HD2 PHE 53 HD1 PHE 53 -8.929 3.717 4.244 396 HE1 PHE 53 HE2 PHE 53 -9.126 -0.454 1.668 397 HE2 PHE 53 HE1 PHE 53 -8.882 1.563 5.411 398 HZ PHE 53 HZ PHE 53 -8.969 -0.514 4.133 399 H GLU 54 HN GLU 54 -10.854 6.158 3.017 400 HA GLU 54 HA GLU 54 -12.549 4.619 4.608 401 HB2 GLU 54 HB2 GLU 54 -12.227 7.619 4.409 402 HB3 GLU 54 HB1 GLU 54 -13.307 6.871 5.570 403 HG2 GLU 54 HG2 GLU 54 -10.267 6.560 5.497 404 HG3 GLU 54 HG1 GLU 54 -11.241 7.478 6.609 405 H ARG 55 HN ARG 55 -13.259 6.768 1.926 406 HA ARG 55 HA ARG 55 -16.061 6.864 2.117 407 HB2 ARG 55 HB2 ARG 55 -14.071 7.754 0.418 408 HB3 ARG 55 HB1 ARG 55 -15.043 6.710 -0.594 409 HG2 ARG 55 HG2 ARG 55 -15.857 8.974 -0.784 410 HG3 ARG 55 HG1 ARG 55 -17.066 7.967 0.024 411 HD2 ARG 55 HD2 ARG 55 -16.294 8.825 2.205 412 HD3 ARG 55 HD1 ARG 55 -15.113 9.833 1.377 413 HE ARG 55 HE ARG 55 -17.490 10.514 0.254 414 HH11 ARG 55 HH11 ARG 55 -16.246 10.525 3.574 415 HH12 ARG 55 HH12 ARG 55 -17.251 11.805 4.087 416 HH21 ARG 55 HH21 ARG 55 -18.842 12.268 0.967 417 HH22 ARG 55 HH22 ARG 55 -18.755 12.816 2.580 418 H HIS 56 HN HIS 56 -13.899 4.620 0.503 419 HA HIS 56 HA HIS 56 -15.832 2.893 -0.563 420 HB2 HIS 56 HB2 HIS 56 -13.679 2.556 -1.451 421 HB3 HIS 56 HB1 HIS 56 -12.920 2.585 0.131 422 HD1 HIS 56 HD1 HIS 56 -15.058 0.188 -2.017 423 HD2 HIS 56 HD2 HIS 56 -12.346 0.160 1.147 424 HE1 HIS 56 HE1 HIS 56 -14.595 -2.248 -1.487 425 H VAL 57 HN VAL 57 -14.144 2.876 2.510 426 HA VAL 57 HA VAL 57 -15.113 0.317 3.304 427 HB VAL 57 HB VAL 57 -14.026 2.554 5.053 428 HG11 VAL 57 HG11 VAL 57 -13.583 0.752 6.682 429 HG12 VAL 57 HG12 VAL 57 -14.426 -0.383 5.625 430 HG13 VAL 57 HG13 VAL 57 -15.305 0.954 6.360 431 HG21 VAL 57 HG21 VAL 57 -11.929 1.290 4.978 432 HG22 VAL 57 HG22 VAL 57 -12.431 1.815 3.371 433 HG23 VAL 57 HG23 VAL 57 -12.674 0.140 3.863 434 H GLN 58 HN GLN 58 -16.085 3.587 3.942 435 HA GLN 58 HA GLN 58 -18.125 2.921 5.696 436 HB2 GLN 58 HB2 GLN 58 -17.417 5.329 4.157 437 HB3 GLN 58 HB1 GLN 58 -18.932 5.323 5.077 438 HG2 GLN 58 HG2 GLN 58 -16.163 4.827 6.175 439 HG3 GLN 58 HG1 GLN 58 -17.049 6.345 6.303 440 HE21 GLN 58 HE21 GLN 58 -16.904 3.020 7.362 441 HE22 GLN 58 HE22 GLN 58 -17.897 3.224 8.756 442 H THR 59 HN THR 59 -18.051 2.892 2.216 443 HA THR 59 HA THR 59 -20.879 3.202 2.052 444 HB THR 59 HB THR 59 -19.455 4.056 0.165 445 HG1 THR 59 HG1 THR 59 -21.683 3.574 -0.140 446 HG21 THR 59 HG21 THR 59 -19.200 1.129 -0.536 447 HG22 THR 59 HG22 THR 59 -17.883 2.171 0.001 448 HG23 THR 59 HG23 THR 59 -18.683 2.482 -1.546 449 H HIS 60 HN HIS 60 -18.674 0.402 2.079 450 HA HIS 60 HA HIS 60 -21.042 -1.165 1.713 451 HB2 HIS 60 HB2 HIS 60 -19.585 -3.048 2.189 452 HB3 HIS 60 HB1 HIS 60 -19.389 -2.449 0.547 453 HD1 HIS 60 HD1 HIS 60 -17.488 -4.313 2.338 454 HD2 HIS 60 HD2 HIS 60 -17.001 -0.274 1.671 455 HE1 HIS 60 HE1 HIS 60 -15.030 -3.802 2.745 456 H PHE 61 HN PHE 61 -19.397 0.161 4.252 457 HA PHE 61 HA PHE 61 -20.490 -1.599 6.240 458 HB2 PHE 61 HB2 PHE 61 -19.334 1.185 6.308 459 HB3 PHE 61 HB1 PHE 61 -20.168 0.536 7.706 460 HD1 PHE 61 HD1 PHE 61 -18.191 -1.768 5.707 461 HD2 PHE 61 HD2 PHE 61 -18.139 0.951 8.945 462 HE1 PHE 61 HE1 PHE 61 -16.082 -2.768 6.495 463 HE2 PHE 61 HE2 PHE 61 -16.037 -0.020 9.755 464 HZ PHE 61 HZ PHE 61 -14.999 -1.899 8.531 465 H ASP 62 HN ASP 62 -21.394 1.267 4.534 466 HA ASP 62 HA ASP 62 -23.785 1.654 6.150 467 HB2 ASP 62 HB2 ASP 62 -22.381 3.551 5.121 468 HB3 ASP 62 HB1 ASP 62 -23.104 3.068 3.601 469 H GLN 63 HN GLN 63 -22.825 0.249 3.334 470 HA GLN 63 HA GLN 63 -23.683 -0.768 1.570 471 HB2 GLN 63 HB2 GLN 63 -25.873 -1.513 3.510 472 HB3 GLN 63 HB1 GLN 63 -25.655 -2.258 1.928 473 HG2 GLN 63 HG2 GLN 63 -23.262 -2.735 2.714 474 HG3 GLN 63 HG1 GLN 63 -23.874 -2.390 4.324 475 HE21 GLN 63 HE21 GLN 63 -22.803 -4.787 3.211 476 HE22 GLN 63 HE22 GLN 63 -23.989 -6.020 3.406 477 H ASN 64 HN ASN 64 -24.217 1.935 1.764 478 HA ASN 64 HA ASN 64 -26.777 2.312 0.485 479 HB2 ASN 64 HB2 ASN 64 -26.134 4.677 0.222 480 HB3 ASN 64 HB1 ASN 64 -25.921 4.140 1.875 481 HD21 ASN 64 HD21 ASN 64 -24.471 5.644 2.444 482 HD22 ASN 64 HD22 ASN 64 -22.892 5.839 1.776 483 H VAL 65 HN VAL 65 -23.748 1.423 -0.353 484 HA VAL 65 HA VAL 65 -22.679 0.804 -2.155 485 HB VAL 65 HB VAL 65 -25.374 0.642 -3.540 486 HG11 VAL 65 HG11 VAL 65 -22.781 -0.811 -4.107 487 HG12 VAL 65 HG12 VAL 65 -23.476 0.480 -5.080 488 HG13 VAL 65 HG13 VAL 65 -24.319 -1.066 -4.938 489 HG21 VAL 65 HG21 VAL 65 -23.906 -1.415 -1.895 490 HG22 VAL 65 HG22 VAL 65 -25.383 -1.699 -2.804 491 HG23 VAL 65 HG23 VAL 65 -25.386 -0.579 -1.441 492 H LEU 66 HN LEU 66 -21.867 2.916 -2.005 493 HA LEU 66 HA LEU 66 -22.312 4.483 -4.411 494 HB2 LEU 66 HB2 LEU 66 -22.252 5.729 -2.286 495 HB3 LEU 66 HB1 LEU 66 -20.681 5.050 -1.920 496 HG LEU 66 HG LEU 66 -19.712 6.272 -3.821 497 HD11 LEU 66 HD11 LEU 66 -22.472 7.442 -4.108 498 HD12 LEU 66 HD12 LEU 66 -21.645 6.388 -5.258 499 HD13 LEU 66 HD13 LEU 66 -21.018 8.001 -4.935 500 HD21 LEU 66 HD21 LEU 66 -19.863 8.508 -2.846 501 HD22 LEU 66 HD22 LEU 66 -19.690 7.273 -1.601 502 HD23 LEU 66 HD23 LEU 66 -21.267 8.005 -1.906 503 H ASN 67 HN ASN 67 -21.484 2.968 -5.728 504 HA ASN 67 HA ASN 67 -18.815 3.091 -6.439 505 HB2 ASN 67 HB2 ASN 67 -18.324 0.589 -6.187 506 HB3 ASN 67 HB1 ASN 67 -18.297 1.481 -4.676 507 HD21 ASN 67 HD21 ASN 67 -19.840 1.058 -3.154 508 HD22 ASN 67 HD22 ASN 67 -20.892 -0.309 -3.210 509 H PHE 68 HN PHE 68 -18.613 1.561 -8.466 510 HA PHE 68 HA PHE 68 -21.325 1.630 -9.547 511 HB2 PHE 68 HB2 PHE 68 -19.987 3.517 -10.348 512 HB3 PHE 68 HB1 PHE 68 -18.825 2.395 -11.043 513 HD1 PHE 68 HD2 PHE 68 -22.388 3.410 -11.189 514 HD2 PHE 68 HD1 PHE 68 -19.134 1.566 -13.210 515 HE1 PHE 68 HE2 PHE 68 -23.723 3.325 -13.249 516 HE2 PHE 68 HE1 PHE 68 -20.457 1.479 -15.262 517 HZ PHE 68 HZ PHE 68 -22.757 2.355 -15.295 518 H ASP 69 HN ASP 69 -22.008 -0.292 -9.796 519 HA ASP 69 HA ASP 69 -21.029 -1.847 -11.904 520 HB2 ASP 69 HB2 ASP 69 -19.551 -2.755 -10.097 521 HB3 ASP 69 HB1 ASP 69 -21.001 -3.182 -9.184 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 35.080 5.779 -2.842 2 H2 GLY 1 HT2 GLY 1 36.044 4.385 -2.949 3 H3 GLY 1 HT3 GLY 1 34.701 4.436 -1.903 4 HA2 GLY 1 HA1 GLY 1 34.562 4.571 -4.837 5 HA3 GLY 1 HA2 GLY 1 34.186 3.163 -3.847 6 HA PRO 2 HA PRO 2 30.411 5.750 -4.077 7 HB2 PRO 2 HB2 PRO 2 28.912 3.912 -5.575 8 HB3 PRO 2 HB1 PRO 2 29.678 5.370 -6.200 9 HG2 PRO 2 HG2 PRO 2 30.382 2.682 -6.788 10 HG3 PRO 2 HG1 PRO 2 31.234 4.148 -7.283 11 HD2 PRO 2 HD2 PRO 2 31.839 2.264 -5.085 12 HD3 PRO 2 HD1 PRO 2 32.930 3.340 -5.978 13 H HIS 3 HN HIS 3 29.261 5.548 -2.253 14 HA HIS 3 HA HIS 3 28.998 2.949 -1.083 15 HB2 HIS 3 HB2 HIS 3 29.472 4.937 0.338 16 HB3 HIS 3 HB1 HIS 3 27.893 5.595 -0.070 17 HD1 HIS 3 HD1 HIS 3 26.154 5.119 1.670 18 HD2 HIS 3 HD2 HIS 3 29.196 2.292 1.673 19 HE1 HIS 3 HE1 HIS 3 25.633 3.543 3.561 20 H MET 4 HN MET 4 26.328 5.313 -1.161 21 HA MET 4 HA MET 4 24.085 5.023 -1.476 22 HB2 MET 4 HB2 MET 4 25.089 5.357 -3.778 23 HB3 MET 4 HB1 MET 4 25.051 3.618 -3.982 24 HG2 MET 4 HG2 MET 4 23.201 4.417 -5.171 25 HG3 MET 4 HG1 MET 4 22.533 3.780 -3.681 26 HE1 MET 4 HE1 MET 4 22.772 6.320 -1.467 27 HE2 MET 4 HE2 MET 4 21.449 5.212 -1.794 28 HE3 MET 4 HE3 MET 4 21.172 6.948 -1.847 29 H ASP 5 HN ASP 5 25.265 3.013 0.077 30 HA ASP 5 HA ASP 5 24.388 0.403 -0.865 31 HB2 ASP 5 HB2 ASP 5 26.674 0.925 0.101 32 HB3 ASP 5 HB1 ASP 5 25.882 1.074 1.654 33 H VAL 6 HN VAL 6 22.835 2.753 0.569 34 HA VAL 6 HA VAL 6 21.066 0.999 2.012 35 HB VAL 6 HB VAL 6 21.903 3.701 3.164 36 HG11 VAL 6 HG11 VAL 6 20.268 1.462 4.365 37 HG12 VAL 6 HG12 VAL 6 19.643 2.995 3.761 38 HG13 VAL 6 HG13 VAL 6 20.693 2.966 5.179 39 HG21 VAL 6 HG21 VAL 6 23.802 2.166 3.361 40 HG22 VAL 6 HG22 VAL 6 22.775 0.980 4.152 41 HG23 VAL 6 HG23 VAL 6 23.111 2.524 4.947 42 H HIS 7 HN HIS 7 20.688 1.408 -0.304 43 HA HIS 7 HA HIS 7 19.260 3.846 -0.638 44 HB2 HIS 7 HB2 HIS 7 20.825 3.206 -2.424 45 HB3 HIS 7 HB1 HIS 7 19.985 1.684 -2.641 46 HD1 HIS 7 HD1 HIS 7 18.442 1.667 -4.606 47 HD2 HIS 7 HD2 HIS 7 19.047 5.504 -3.126 48 HE1 HIS 7 HE1 HIS 7 17.253 3.211 -6.186 49 H LYS 8 HN LYS 8 18.801 1.043 0.562 50 HA LYS 8 HA LYS 8 16.291 0.209 -0.620 51 HB2 LYS 8 HB2 LYS 8 17.781 -1.025 1.704 52 HB3 LYS 8 HB1 LYS 8 16.417 -1.728 0.845 53 HG2 LYS 8 HG2 LYS 8 19.138 -1.168 -0.293 54 HG3 LYS 8 HG1 LYS 8 18.505 -2.754 0.142 55 HD2 LYS 8 HD2 LYS 8 16.797 -2.570 -1.584 56 HD3 LYS 8 HD1 LYS 8 17.317 -0.929 -1.958 57 HE2 LYS 8 HE2 LYS 8 18.188 -2.519 -3.592 58 HE3 LYS 8 HE1 LYS 8 19.491 -1.767 -2.677 59 HZ1 LYS 8 HZ1 LYS 8 19.765 -4.158 -2.986 60 HZ2 LYS 8 HZ2 LYS 8 18.362 -4.451 -2.106 61 HZ3 LYS 8 HZ3 LYS 8 19.703 -3.736 -1.366 62 H LYS 9 HN LYS 9 14.897 1.654 -0.135 63 HA LYS 9 HA LYS 9 13.896 1.747 2.648 64 HB2 LYS 9 HB2 LYS 9 13.641 4.016 0.661 65 HB3 LYS 9 HB1 LYS 9 12.982 3.967 2.265 66 HG2 LYS 9 HG2 LYS 9 14.708 5.443 2.433 67 HG3 LYS 9 HG1 LYS 9 15.432 3.952 3.029 68 HD2 LYS 9 HD2 LYS 9 16.748 3.702 1.171 69 HD3 LYS 9 HD1 LYS 9 15.651 4.621 0.137 70 HE2 LYS 9 HE2 LYS 9 17.237 5.820 2.380 71 HE3 LYS 9 HE1 LYS 9 17.764 5.795 0.690 72 HZ1 LYS 9 HZ1 LYS 9 16.648 7.901 1.379 73 HZ2 LYS 9 HZ2 LYS 9 15.179 7.073 1.553 74 HZ3 LYS 9 HZ3 LYS 9 15.936 7.153 0.075 75 H CYS 10 HN CYS 10 11.790 1.457 2.759 76 HA CYS 10 HA CYS 10 10.224 0.573 0.539 77 HB2 CYS 10 HB2 CYS 10 9.805 0.063 2.943 78 HB3 CYS 10 HB1 CYS 10 9.466 1.736 3.215 79 HA PRO 11 HA PRO 11 10.423 4.818 -1.030 80 HB2 PRO 11 HB2 PRO 11 8.585 4.472 -3.088 81 HB3 PRO 11 HB1 PRO 11 10.318 4.164 -3.192 82 HG2 PRO 11 HG2 PRO 11 8.078 2.233 -2.763 83 HG3 PRO 11 HG1 PRO 11 9.583 2.037 -3.671 84 HD2 PRO 11 HD2 PRO 11 9.211 0.943 -1.249 85 HD3 PRO 11 HD1 PRO 11 10.801 1.530 -1.785 86 H LEU 12 HN LEU 12 7.612 3.371 0.166 87 HA LEU 12 HA LEU 12 6.021 5.777 -0.202 88 HB2 LEU 12 HB2 LEU 12 5.120 3.323 1.276 89 HB3 LEU 12 HB1 LEU 12 4.132 4.574 0.564 90 HG LEU 12 HG LEU 12 3.790 2.842 -0.831 91 HD11 LEU 12 HD11 LEU 12 4.344 4.684 -2.227 92 HD12 LEU 12 HD12 LEU 12 4.957 3.189 -2.957 93 HD13 LEU 12 HD13 LEU 12 6.063 4.282 -2.142 94 HD21 LEU 12 HD21 LEU 12 5.378 1.281 0.107 95 HD22 LEU 12 HD22 LEU 12 6.701 2.064 -0.778 96 HD23 LEU 12 HD23 LEU 12 5.388 1.264 -1.651 97 H CYS 13 HN CYS 13 7.527 3.953 2.467 98 HA CYS 13 HA CYS 13 6.621 6.124 4.271 99 HB2 CYS 13 HB2 CYS 13 6.876 4.620 6.138 100 HB3 CYS 13 HB1 CYS 13 5.789 3.948 4.919 101 H GLU 14 HN GLU 14 9.236 4.904 2.750 102 HA GLU 14 HA GLU 14 11.387 5.275 2.697 103 HB2 GLU 14 HB2 GLU 14 10.501 7.606 4.277 104 HB3 GLU 14 HB1 GLU 14 12.229 7.291 4.154 105 HG2 GLU 14 HG2 GLU 14 10.345 7.584 1.827 106 HG3 GLU 14 HG1 GLU 14 11.413 8.848 2.436 107 H LEU 15 HN LEU 15 10.187 3.593 4.884 108 HA LEU 15 HA LEU 15 12.078 3.490 6.996 109 HB2 LEU 15 HB2 LEU 15 9.903 2.244 6.977 110 HB3 LEU 15 HB1 LEU 15 10.566 1.201 5.734 111 HG LEU 15 HG LEU 15 12.407 0.649 7.409 112 HD11 LEU 15 HD11 LEU 15 12.025 2.447 8.964 113 HD12 LEU 15 HD12 LEU 15 11.821 0.871 9.742 114 HD13 LEU 15 HD13 LEU 15 10.403 1.822 9.291 115 HD21 LEU 15 HD21 LEU 15 9.586 -0.196 7.957 116 HD22 LEU 15 HD22 LEU 15 11.049 -1.028 8.514 117 HD23 LEU 15 HD23 LEU 15 10.701 -0.901 6.786 118 H MET 16 HN MET 16 14.047 2.911 6.967 119 HA MET 16 HA MET 16 15.206 2.087 4.429 120 HB2 MET 16 HB2 MET 16 17.318 2.803 5.302 121 HB3 MET 16 HB1 MET 16 16.094 3.990 5.767 122 HG2 MET 16 HG2 MET 16 15.999 3.097 7.990 123 HG3 MET 16 HG1 MET 16 17.137 1.824 7.563 124 HE1 MET 16 HE1 MET 16 17.182 5.692 6.650 125 HE2 MET 16 HE2 MET 16 18.204 6.312 7.949 126 HE3 MET 16 HE3 MET 16 16.627 5.628 8.320 127 H PHE 17 HN PHE 17 16.527 0.303 4.211 128 HA PHE 17 HA PHE 17 16.211 -1.745 6.287 129 HB2 PHE 17 HB2 PHE 17 16.287 -2.134 3.285 130 HB3 PHE 17 HB1 PHE 17 16.073 -3.395 4.494 131 HD1 PHE 17 HD1 PHE 17 14.039 -3.050 6.092 132 HD2 PHE 17 HD2 PHE 17 14.452 -1.240 2.278 133 HE1 PHE 17 HE1 PHE 17 11.612 -2.710 5.994 134 HE2 PHE 17 HE2 PHE 17 12.029 -0.900 2.172 135 HZ PHE 17 HZ PHE 17 10.609 -1.630 4.018 136 HA PRO 18 HA PRO 18 20.671 -2.223 5.928 137 HB2 PRO 18 HB2 PRO 18 20.331 -5.145 6.103 138 HB3 PRO 18 HB1 PRO 18 21.136 -4.055 7.236 139 HG2 PRO 18 HG2 PRO 18 18.784 -5.265 7.785 140 HG3 PRO 18 HG1 PRO 18 19.213 -3.668 8.430 141 HD2 PRO 18 HD2 PRO 18 17.390 -4.403 6.194 142 HD3 PRO 18 HD1 PRO 18 17.249 -3.104 7.392 143 HA PRO 19 HA PRO 19 21.297 -3.321 1.593 144 HB2 PRO 19 HB2 PRO 19 23.896 -4.215 1.759 145 HB3 PRO 19 HB1 PRO 19 23.432 -2.523 1.581 146 HG2 PRO 19 HG2 PRO 19 24.236 -4.021 4.029 147 HG3 PRO 19 HG1 PRO 19 24.594 -2.350 3.569 148 HD2 PRO 19 HD2 PRO 19 22.730 -2.931 5.407 149 HD3 PRO 19 HD1 PRO 19 22.531 -1.576 4.279 150 H ASN 20 HN ASN 20 21.828 -5.659 4.075 151 HA ASN 20 HA ASN 20 21.736 -7.647 2.004 152 HB2 ASN 20 HB2 ASN 20 22.351 -7.972 4.947 153 HB3 ASN 20 HB1 ASN 20 22.211 -9.326 3.840 154 HD21 ASN 20 HD21 ASN 20 24.461 -8.317 5.409 155 HD22 ASN 20 HD22 ASN 20 25.742 -8.055 4.286 156 H TYR 21 HN TYR 21 19.365 -5.965 3.246 157 HA TYR 21 HA TYR 21 17.691 -7.742 4.475 158 HB2 TYR 21 HB2 TYR 21 17.587 -5.305 4.388 159 HB3 TYR 21 HB1 TYR 21 16.875 -5.395 2.772 160 HD1 TYR 21 HD2 TYR 21 16.580 -6.434 6.208 161 HD2 TYR 21 HD1 TYR 21 14.518 -5.704 2.632 162 HE1 TYR 21 HE2 TYR 21 14.424 -6.716 7.433 163 HE2 TYR 21 HE1 TYR 21 12.342 -5.963 3.790 164 HH TYR 21 HH TYR 21 12.165 -5.961 7.175 165 H ASP 22 HN ASP 22 15.962 -8.568 3.681 166 HA ASP 22 HA ASP 22 16.309 -10.181 1.318 167 HB2 ASP 22 HB2 ASP 22 14.931 -10.730 3.641 168 HB3 ASP 22 HB1 ASP 22 13.760 -9.970 2.632 169 H GLN 23 HN GLN 23 15.676 -9.632 -0.513 170 HA GLN 23 HA GLN 23 14.411 -7.280 -1.321 171 HB2 GLN 23 HB2 GLN 23 15.819 -9.149 -2.504 172 HB3 GLN 23 HB1 GLN 23 14.225 -9.701 -2.987 173 HG2 GLN 23 HG2 GLN 23 13.790 -7.319 -3.713 174 HG3 GLN 23 HG1 GLN 23 15.541 -7.119 -3.530 175 HE21 GLN 23 HE21 GLN 23 13.029 -8.564 -5.373 176 HE22 GLN 23 HE22 GLN 23 14.006 -9.118 -6.686 177 H SER 24 HN SER 24 13.169 -10.533 -0.690 178 HA SER 24 HA SER 24 10.632 -10.055 -1.863 179 HB2 SER 24 HB2 SER 24 11.639 -12.306 -1.695 180 HB3 SER 24 HB1 SER 24 11.570 -12.198 0.063 181 HG SER 24 HG SER 24 9.473 -12.428 -1.799 182 H LYS 25 HN LYS 25 12.055 -9.737 1.273 183 HA LYS 25 HA LYS 25 9.537 -9.215 2.589 184 HB2 LYS 25 HB2 LYS 25 12.388 -9.092 3.514 185 HB3 LYS 25 HB1 LYS 25 11.202 -8.400 4.537 186 HG2 LYS 25 HG2 LYS 25 11.652 -10.610 5.327 187 HG3 LYS 25 HG1 LYS 25 10.042 -10.633 4.614 188 HD2 LYS 25 HD2 LYS 25 10.839 -11.720 2.661 189 HD3 LYS 25 HD1 LYS 25 12.517 -11.467 3.123 190 HE2 LYS 25 HE2 LYS 25 12.061 -12.923 5.129 191 HE3 LYS 25 HE1 LYS 25 10.507 -13.306 4.388 192 HZ1 LYS 25 HZ1 LYS 25 11.623 -14.239 2.501 193 HZ2 LYS 25 HZ2 LYS 25 12.326 -14.925 3.883 194 HZ3 LYS 25 HZ3 LYS 25 13.114 -13.700 3.051 195 H PHE 26 HN PHE 26 11.835 -7.427 0.880 196 HA PHE 26 HA PHE 26 11.081 -4.813 1.713 197 HB2 PHE 26 HB2 PHE 26 13.190 -5.052 0.591 198 HB3 PHE 26 HB1 PHE 26 12.462 -5.927 -0.738 199 HD1 PHE 26 HD1 PHE 26 12.452 -2.573 0.877 200 HD2 PHE 26 HD2 PHE 26 11.928 -4.815 -2.701 201 HE1 PHE 26 HE1 PHE 26 12.253 -0.484 -0.404 202 HE2 PHE 26 HE2 PHE 26 11.716 -2.729 -3.985 203 HZ PHE 26 HZ PHE 26 11.874 -0.555 -2.831 204 H GLU 27 HN GLU 27 10.270 -6.842 -1.037 205 HA GLU 27 HA GLU 27 8.365 -5.092 -2.116 206 HB2 GLU 27 HB2 GLU 27 8.844 -8.018 -2.627 207 HB3 GLU 27 HB1 GLU 27 7.693 -7.044 -3.537 208 HG2 GLU 27 HG2 GLU 27 9.500 -5.535 -4.204 209 HG3 GLU 27 HG1 GLU 27 10.644 -6.534 -3.316 210 H GLU 28 HN GLU 28 7.996 -7.854 0.058 211 HA GLU 28 HA GLU 28 5.106 -7.718 0.235 212 HB2 GLU 28 HB2 GLU 28 7.159 -8.669 2.234 213 HB3 GLU 28 HB1 GLU 28 5.421 -8.796 2.461 214 HG2 GLU 28 HG2 GLU 28 7.002 -10.114 0.270 215 HG3 GLU 28 HG1 GLU 28 6.420 -10.899 1.737 216 H HIS 29 HN HIS 29 7.518 -5.816 1.559 217 HA HIS 29 HA HIS 29 5.601 -4.782 3.237 218 HB2 HIS 29 HB2 HIS 29 7.847 -4.836 4.072 219 HB3 HIS 29 HB1 HIS 29 8.455 -3.932 2.703 220 HD1 HIS 29 HD1 HIS 29 9.517 -2.620 4.890 221 HD2 HIS 29 HD2 HIS 29 5.514 -2.112 4.110 222 HE1 HIS 29 HE1 HIS 29 8.853 -0.385 5.959 223 H VAL 30 HN VAL 30 7.053 -3.918 0.164 224 HA VAL 30 HA VAL 30 5.807 -1.330 -0.084 225 HB VAL 30 HB VAL 30 6.661 -3.203 -2.335 226 HG11 VAL 30 HG11 VAL 30 6.324 -0.203 -2.363 227 HG12 VAL 30 HG12 VAL 30 5.157 -1.344 -3.019 228 HG13 VAL 30 HG13 VAL 30 6.766 -1.219 -3.730 229 HG21 VAL 30 HG21 VAL 30 8.752 -1.915 -2.408 230 HG22 VAL 30 HG22 VAL 30 8.549 -2.751 -0.869 231 HG23 VAL 30 HG23 VAL 30 8.233 -1.021 -0.979 232 H GLU 31 HN GLU 31 4.838 -4.547 -1.086 233 HA GLU 31 HA GLU 31 2.363 -3.845 -2.247 234 HB2 GLU 31 HB2 GLU 31 3.036 -6.386 -0.746 235 HB3 GLU 31 HB1 GLU 31 1.729 -6.180 -1.893 236 HG2 GLU 31 HG2 GLU 31 4.656 -5.998 -2.567 237 HG3 GLU 31 HG1 GLU 31 3.653 -7.422 -2.792 238 H SER 32 HN SER 32 3.405 -4.066 1.041 239 HA SER 32 HA SER 32 0.821 -4.349 2.223 240 HB2 SER 32 HB2 SER 32 2.925 -5.163 3.285 241 HB3 SER 32 HB1 SER 32 3.445 -3.497 3.476 242 HG SER 32 HG SER 32 0.950 -4.204 4.522 243 H HIS 33 HN HIS 33 2.466 -1.764 0.782 244 HA HIS 33 HA HIS 33 1.101 0.219 2.381 245 HB2 HIS 33 HB2 HIS 33 3.184 0.337 0.295 246 HB3 HIS 33 HB1 HIS 33 2.164 1.756 0.555 247 HD1 HIS 33 HD1 HIS 33 2.831 3.224 2.550 248 HD2 HIS 33 HD2 HIS 33 4.365 -0.608 2.729 249 HE1 HIS 33 HE1 HIS 33 4.187 3.128 4.650 250 H TRP 34 HN TRP 34 0.684 -1.421 -0.701 251 HA TRP 34 HA TRP 34 -1.085 0.231 -1.849 252 HB2 TRP 34 HB2 TRP 34 -0.395 -2.687 -1.778 253 HB3 TRP 34 HB1 TRP 34 -1.541 -1.929 -2.939 254 HD1 TRP 34 HD1 TRP 34 1.880 -0.432 -2.002 255 HE1 TRP 34 HE1 TRP 34 3.256 -0.643 -4.043 256 HE3 TRP 34 HE3 TRP 34 -1.196 -3.050 -4.453 257 HZ2 TRP 34 HZ2 TRP 34 3.064 -1.899 -6.653 258 HZ3 TRP 34 HZ3 TRP 34 -0.705 -3.894 -6.894 259 HH2 TRP 34 HH2 TRP 34 1.440 -3.282 -7.904 260 H LYS 35 HN LYS 35 -2.981 0.654 -1.220 261 HA LYS 35 HA LYS 35 -4.090 -0.357 1.195 262 HB2 LYS 35 HB2 LYS 35 -5.109 1.670 -0.775 263 HB3 LYS 35 HB1 LYS 35 -5.942 1.264 0.714 264 HG2 LYS 35 HG2 LYS 35 -3.147 2.392 0.567 265 HG3 LYS 35 HG1 LYS 35 -4.599 3.355 0.826 266 HD2 LYS 35 HD2 LYS 35 -3.686 1.103 2.637 267 HD3 LYS 35 HD1 LYS 35 -3.354 2.802 2.925 268 HE2 LYS 35 HE2 LYS 35 -6.119 1.573 2.746 269 HE3 LYS 35 HE1 LYS 35 -5.293 1.998 4.234 270 HZ1 LYS 35 HZ1 LYS 35 -6.892 3.719 3.560 271 HZ2 LYS 35 HZ2 LYS 35 -6.090 3.907 2.101 272 HZ3 LYS 35 HZ3 LYS 35 -5.307 4.299 3.550 273 H VAL 36 HN VAL 36 -4.828 -1.983 1.380 274 HA VAL 36 HA VAL 36 -6.359 -3.293 -0.715 275 HB VAL 36 HB VAL 36 -4.480 -4.463 0.276 276 HG11 VAL 36 HG11 VAL 36 -4.527 -5.392 2.506 277 HG12 VAL 36 HG12 VAL 36 -5.929 -4.373 2.861 278 HG13 VAL 36 HG13 VAL 36 -4.379 -3.636 2.427 279 HG21 VAL 36 HG21 VAL 36 -7.126 -5.784 0.862 280 HG22 VAL 36 HG22 VAL 36 -5.585 -6.633 0.747 281 HG23 VAL 36 HG23 VAL 36 -6.256 -5.820 -0.670 282 H CYS 37 HN CYS 37 -8.459 -3.496 -0.692 283 HA CYS 37 HA CYS 37 -10.044 -2.457 1.469 284 HB2 CYS 37 HB2 CYS 37 -10.553 -2.070 -0.955 285 HB3 CYS 37 HB1 CYS 37 -10.661 -3.786 -1.136 286 HA PRO 38 HA PRO 38 -10.029 -6.585 3.224 287 HB2 PRO 38 HB2 PRO 38 -12.225 -6.216 4.883 288 HB3 PRO 38 HB1 PRO 38 -10.555 -5.819 5.302 289 HG2 PRO 38 HG2 PRO 38 -12.764 -4.052 4.392 290 HG3 PRO 38 HG1 PRO 38 -11.444 -3.699 5.515 291 HD2 PRO 38 HD2 PRO 38 -11.529 -2.850 2.908 292 HD3 PRO 38 HD1 PRO 38 -10.001 -3.117 3.796 293 H MET 39 HN MET 39 -12.998 -5.090 2.091 294 HA MET 39 HA MET 39 -14.280 -7.654 1.756 295 HB2 MET 39 HB2 MET 39 -15.189 -4.862 1.255 296 HB3 MET 39 HB1 MET 39 -16.107 -6.220 0.658 297 HG2 MET 39 HG2 MET 39 -17.071 -5.515 2.763 298 HG3 MET 39 HG1 MET 39 -16.333 -7.094 2.965 299 HE1 MET 39 HE1 MET 39 -16.216 -3.309 3.845 300 HE2 MET 39 HE2 MET 39 -14.707 -3.448 2.943 301 HE3 MET 39 HE3 MET 39 -14.678 -3.133 4.679 302 H CYS 40 HN CYS 40 -12.280 -5.737 -0.238 303 HA CYS 40 HA CYS 40 -13.352 -7.116 -2.619 304 HB2 CYS 40 HB2 CYS 40 -11.993 -4.598 -2.124 305 HB3 CYS 40 HB1 CYS 40 -11.675 -5.327 -3.744 306 H SER 41 HN SER 41 -10.633 -6.755 -0.521 307 HA SER 41 HA SER 41 -8.680 -7.686 -0.298 308 HB2 SER 41 HB2 SER 41 -10.010 -9.839 -0.578 309 HB3 SER 41 HB1 SER 41 -9.574 -9.826 -2.283 310 HG SER 41 HG SER 41 -7.599 -9.642 -0.307 311 H GLU 42 HN GLU 42 -9.217 -5.617 -2.471 312 HA GLU 42 HA GLU 42 -7.056 -6.253 -4.168 313 HB2 GLU 42 HB2 GLU 42 -9.572 -4.682 -4.541 314 HB3 GLU 42 HB1 GLU 42 -8.163 -4.500 -5.570 315 HG2 GLU 42 HG2 GLU 42 -8.287 -6.890 -6.076 316 HG3 GLU 42 HG1 GLU 42 -9.786 -7.001 -5.150 317 H GLN 43 HN GLN 43 -5.796 -5.035 -4.373 318 HA GLN 43 HA GLN 43 -5.104 -3.021 -2.300 319 HB2 GLN 43 HB2 GLN 43 -3.548 -4.613 -4.286 320 HB3 GLN 43 HB1 GLN 43 -2.811 -3.516 -3.094 321 HG2 GLN 43 HG2 GLN 43 -3.815 -4.954 -1.332 322 HG3 GLN 43 HG1 GLN 43 -4.410 -6.003 -2.591 323 HE21 GLN 43 HE21 GLN 43 -3.114 -7.449 -3.499 324 HE22 GLN 43 HE22 GLN 43 -1.460 -7.686 -3.073 325 H PHE 44 HN PHE 44 -5.121 -1.033 -2.815 326 HA PHE 44 HA PHE 44 -5.002 -0.146 -5.598 327 HB2 PHE 44 HB2 PHE 44 -5.920 1.139 -3.040 328 HB3 PHE 44 HB1 PHE 44 -5.603 2.100 -4.469 329 HD1 PHE 44 HD1 PHE 44 -7.443 -1.084 -3.661 330 HD2 PHE 44 HD2 PHE 44 -7.517 2.688 -5.644 331 HE1 PHE 44 HE1 PHE 44 -9.738 -1.535 -4.427 332 HE2 PHE 44 HE2 PHE 44 -9.806 2.234 -6.415 333 HZ PHE 44 HZ PHE 44 -10.918 0.127 -5.808 334 HA PRO 45 HA PRO 45 -0.824 1.078 -5.153 335 HB2 PRO 45 HB2 PRO 45 -0.753 3.352 -6.680 336 HB3 PRO 45 HB1 PRO 45 -0.821 1.723 -7.366 337 HG2 PRO 45 HG2 PRO 45 -3.052 3.673 -6.897 338 HG3 PRO 45 HG1 PRO 45 -2.744 2.690 -8.332 339 HD2 PRO 45 HD2 PRO 45 -4.570 1.976 -6.529 340 HD3 PRO 45 HD1 PRO 45 -3.569 0.745 -7.320 341 HA PRO 46 HA PRO 46 -0.656 4.341 -1.978 342 HB2 PRO 46 HB2 PRO 46 2.162 4.718 -2.780 343 HB3 PRO 46 HB1 PRO 46 1.530 4.189 -1.219 344 HG2 PRO 46 HG2 PRO 46 2.790 2.468 -2.812 345 HG3 PRO 46 HG1 PRO 46 1.339 1.965 -1.923 346 HD2 PRO 46 HD2 PRO 46 1.594 2.820 -4.790 347 HD3 PRO 46 HD1 PRO 46 0.781 1.390 -4.101 348 H ASP 47 HN ASP 47 -0.363 4.706 -5.156 349 HA ASP 47 HA ASP 47 0.248 7.529 -5.421 350 HB2 ASP 47 HB2 ASP 47 0.839 5.811 -7.138 351 HB3 ASP 47 HB1 ASP 47 -0.872 5.540 -7.409 352 H TYR 48 HN TYR 48 -2.458 5.561 -4.609 353 HA TYR 48 HA TYR 48 -4.462 7.246 -5.697 354 HB2 TYR 48 HB2 TYR 48 -4.199 4.543 -5.271 355 HB3 TYR 48 HB1 TYR 48 -4.993 5.063 -3.794 356 HD1 TYR 48 HD1 TYR 48 -5.254 4.875 -7.430 357 HD2 TYR 48 HD2 TYR 48 -7.304 5.705 -3.811 358 HE1 TYR 48 HE1 TYR 48 -7.353 4.803 -8.639 359 HE2 TYR 48 HE2 TYR 48 -9.445 5.645 -5.009 360 HH TYR 48 HH TYR 48 -10.242 5.978 -7.374 361 H ASP 49 HN ASP 49 -5.841 8.051 -4.102 362 HA ASP 49 HA ASP 49 -4.364 9.175 -1.897 363 HB2 ASP 49 HB2 ASP 49 -6.127 10.445 -3.442 364 HB3 ASP 49 HB1 ASP 49 -7.250 9.652 -2.380 365 H GLN 50 HN GLN 50 -4.549 8.429 -0.009 366 HA GLN 50 HA GLN 50 -5.886 6.086 0.649 367 HB2 GLN 50 HB2 GLN 50 -5.503 6.561 2.988 368 HB3 GLN 50 HB1 GLN 50 -4.049 6.866 2.036 369 HG2 GLN 50 HG2 GLN 50 -4.158 9.139 2.412 370 HG3 GLN 50 HG1 GLN 50 -5.897 9.100 2.716 371 HE21 GLN 50 HE21 GLN 50 -6.658 8.429 4.697 372 HE22 GLN 50 HE22 GLN 50 -5.697 8.362 6.095 373 H GLN 51 HN GLN 51 -6.907 9.408 0.940 374 HA GLN 51 HA GLN 51 -9.214 8.905 2.522 375 HB2 GLN 51 HB2 GLN 51 -8.577 11.248 0.732 376 HB3 GLN 51 HB1 GLN 51 -9.860 11.195 1.933 377 HG2 GLN 51 HG2 GLN 51 -8.250 10.993 3.711 378 HG3 GLN 51 HG1 GLN 51 -6.934 10.892 2.548 379 HE21 GLN 51 HE21 GLN 51 -9.646 13.105 2.208 380 HE22 GLN 51 HE22 GLN 51 -8.723 14.527 2.471 381 H VAL 52 HN VAL 52 -8.565 9.053 -0.952 382 HA VAL 52 HA VAL 52 -11.294 8.980 -1.729 383 HB VAL 52 HB VAL 52 -8.711 8.314 -3.200 384 HG11 VAL 52 HG11 VAL 52 -9.927 8.384 -5.239 385 HG12 VAL 52 HG12 VAL 52 -11.457 8.656 -4.388 386 HG13 VAL 52 HG13 VAL 52 -10.605 7.107 -4.220 387 HG21 VAL 52 HG21 VAL 52 -9.048 10.439 -4.294 388 HG22 VAL 52 HG22 VAL 52 -9.023 10.662 -2.539 389 HG23 VAL 52 HG23 VAL 52 -10.553 10.671 -3.410 390 H PHE 53 HN PHE 53 -8.801 6.683 -1.043 391 HA PHE 53 HA PHE 53 -10.253 4.375 -1.825 392 HB2 PHE 53 HB2 PHE 53 -7.842 4.269 -1.729 393 HB3 PHE 53 HB1 PHE 53 -7.852 4.699 -0.019 394 HD1 PHE 53 HD1 PHE 53 -8.953 2.091 -2.404 395 HD2 PHE 53 HD2 PHE 53 -7.947 3.051 1.609 396 HE1 PHE 53 HE1 PHE 53 -9.079 -0.281 -1.803 397 HE2 PHE 53 HE2 PHE 53 -8.068 0.674 2.210 398 HZ PHE 53 HZ PHE 53 -8.634 -0.987 0.504 399 H GLU 54 HN GLU 54 -9.974 6.211 1.156 400 HA GLU 54 HA GLU 54 -11.164 4.332 2.855 401 HB2 GLU 54 HB2 GLU 54 -11.225 7.351 3.044 402 HB3 GLU 54 HB1 GLU 54 -11.770 6.271 4.310 403 HG2 GLU 54 HG2 GLU 54 -8.909 6.705 3.364 404 HG3 GLU 54 HG1 GLU 54 -9.637 7.026 4.915 405 H ARG 55 HN ARG 55 -12.523 6.667 0.645 406 HA ARG 55 HA ARG 55 -15.230 6.313 1.496 407 HB2 ARG 55 HB2 ARG 55 -13.982 7.518 -0.921 408 HB3 ARG 55 HB1 ARG 55 -15.701 7.126 -0.997 409 HG2 ARG 55 HG2 ARG 55 -15.379 9.456 -0.382 410 HG3 ARG 55 HG1 ARG 55 -16.083 8.561 0.965 411 HD2 ARG 55 HD2 ARG 55 -13.826 8.332 1.921 412 HD3 ARG 55 HD1 ARG 55 -13.202 9.331 0.621 413 HE ARG 55 HE ARG 55 -15.291 10.652 1.941 414 HH11 ARG 55 HH11 ARG 55 -11.935 9.698 2.296 415 HH12 ARG 55 HH12 ARG 55 -11.549 10.862 3.496 416 HH21 ARG 55 HH21 ARG 55 -14.769 12.311 3.589 417 HH22 ARG 55 HH22 ARG 55 -13.183 12.393 4.207 418 H HIS 56 HN HIS 56 -13.239 4.791 -0.926 419 HA HIS 56 HA HIS 56 -15.143 3.097 -2.042 420 HB2 HIS 56 HB2 HIS 56 -12.973 3.242 -3.092 421 HB3 HIS 56 HB1 HIS 56 -12.158 2.735 -1.624 422 HD1 HIS 56 HD1 HIS 56 -14.379 1.270 -4.369 423 HD2 HIS 56 HD2 HIS 56 -11.698 0.078 -1.429 424 HE1 HIS 56 HE1 HIS 56 -14.027 -1.226 -4.692 425 H VAL 57 HN VAL 57 -13.105 2.662 0.814 426 HA VAL 57 HA VAL 57 -13.991 0.013 1.323 427 HB VAL 57 HB VAL 57 -12.702 2.012 3.200 428 HG11 VAL 57 HG11 VAL 57 -12.112 0.072 4.572 429 HG12 VAL 57 HG12 VAL 57 -13.039 -0.971 3.485 430 HG13 VAL 57 HG13 VAL 57 -13.861 0.275 4.428 431 HG21 VAL 57 HG21 VAL 57 -11.332 1.481 1.288 432 HG22 VAL 57 HG22 VAL 57 -11.549 -0.242 1.594 433 HG23 VAL 57 HG23 VAL 57 -10.664 0.755 2.750 434 H GLN 58 HN GLN 58 -14.900 3.174 2.488 435 HA GLN 58 HA GLN 58 -16.650 2.363 4.428 436 HB2 GLN 58 HB2 GLN 58 -16.312 4.856 2.902 437 HB3 GLN 58 HB1 GLN 58 -17.703 4.725 3.997 438 HG2 GLN 58 HG2 GLN 58 -14.839 4.263 4.825 439 HG3 GLN 58 HG1 GLN 58 -15.617 5.833 4.911 440 HE21 GLN 58 HE21 GLN 58 -17.510 2.963 5.654 441 HE22 GLN 58 HE22 GLN 58 -17.556 3.223 7.341 442 H THR 59 HN THR 59 -17.221 2.659 1.022 443 HA THR 59 HA THR 59 -20.034 2.520 1.231 444 HB THR 59 HB THR 59 -20.047 1.893 -1.195 445 HG1 THR 59 HG1 THR 59 -17.214 1.878 -0.819 446 HG21 THR 59 HG21 THR 59 -18.292 4.237 -0.485 447 HG22 THR 59 HG22 THR 59 -20.057 4.244 -0.528 448 HG23 THR 59 HG23 THR 59 -19.137 4.012 -2.016 449 H HIS 60 HN HIS 60 -17.558 0.121 1.355 450 HA HIS 60 HA HIS 60 -19.319 -2.096 0.834 451 HB2 HIS 60 HB2 HIS 60 -16.588 -2.019 2.148 452 HB3 HIS 60 HB1 HIS 60 -17.464 -3.495 1.769 453 HD1 HIS 60 HD1 HIS 60 -16.875 -4.500 -0.454 454 HD2 HIS 60 HD2 HIS 60 -16.033 -0.455 -0.262 455 HE1 HIS 60 HE1 HIS 60 -15.376 -3.938 -2.496 456 H PHE 61 HN PHE 61 -18.517 -0.134 3.503 457 HA PHE 61 HA PHE 61 -19.753 -1.944 5.420 458 HB2 PHE 61 HB2 PHE 61 -18.496 0.775 5.760 459 HB3 PHE 61 HB1 PHE 61 -19.328 -0.063 7.051 460 HD1 PHE 61 HD1 PHE 61 -18.462 -2.470 7.540 461 HD2 PHE 61 HD2 PHE 61 -16.262 0.545 5.547 462 HE1 PHE 61 HE1 PHE 61 -16.368 -3.591 8.194 463 HE2 PHE 61 HE2 PHE 61 -14.138 -0.573 6.202 464 HZ PHE 61 HZ PHE 61 -14.206 -2.636 7.520 465 H ASP 62 HN ASP 62 -20.434 0.943 3.584 466 HA ASP 62 HA ASP 62 -22.827 1.404 5.158 467 HB2 ASP 62 HB2 ASP 62 -21.404 3.010 3.092 468 HB3 ASP 62 HB1 ASP 62 -23.085 3.247 3.594 469 H GLN 63 HN GLN 63 -22.176 -0.588 2.780 470 HA GLN 63 HA GLN 63 -23.909 0.246 0.793 471 HB2 GLN 63 HB2 GLN 63 -23.718 -2.059 -0.165 472 HB3 GLN 63 HB1 GLN 63 -22.195 -1.243 0.152 473 HG2 GLN 63 HG2 GLN 63 -21.864 -2.559 2.140 474 HG3 GLN 63 HG1 GLN 63 -23.442 -3.317 1.937 475 HE21 GLN 63 HE21 GLN 63 -23.740 -4.756 0.296 476 HE22 GLN 63 HE22 GLN 63 -22.435 -5.544 -0.518 477 H ASN 64 HN ASN 64 -24.996 -0.296 3.598 478 HA ASN 64 HA ASN 64 -27.370 -1.807 2.696 479 HB2 ASN 64 HB2 ASN 64 -27.826 -2.630 4.896 480 HB3 ASN 64 HB1 ASN 64 -26.116 -2.911 4.616 481 HD21 ASN 64 HD21 ASN 64 -28.461 -1.144 6.422 482 HD22 ASN 64 HD22 ASN 64 -27.399 -0.494 7.604 483 H VAL 65 HN VAL 65 -26.158 1.192 3.727 484 HA VAL 65 HA VAL 65 -28.830 2.062 4.451 485 HB VAL 65 HB VAL 65 -27.881 4.209 5.160 486 HG11 VAL 65 HG11 VAL 65 -26.357 1.875 6.292 487 HG12 VAL 65 HG12 VAL 65 -27.943 2.449 6.806 488 HG13 VAL 65 HG13 VAL 65 -26.515 3.455 7.057 489 HG21 VAL 65 HG21 VAL 65 -25.213 3.097 4.284 490 HG22 VAL 65 HG22 VAL 65 -25.438 4.585 5.204 491 HG23 VAL 65 HG23 VAL 65 -26.071 4.460 3.564 492 H LEU 66 HN LEU 66 -27.176 1.574 1.880 493 HA LEU 66 HA LEU 66 -28.429 3.718 0.323 494 HB2 LEU 66 HB2 LEU 66 -26.264 1.721 -0.402 495 HB3 LEU 66 HB1 LEU 66 -27.139 2.607 -1.621 496 HG LEU 66 HG LEU 66 -25.030 3.637 -1.341 497 HD11 LEU 66 HD11 LEU 66 -27.091 5.327 0.016 498 HD12 LEU 66 HD12 LEU 66 -26.829 5.158 -1.723 499 HD13 LEU 66 HD13 LEU 66 -25.592 5.901 -0.711 500 HD21 LEU 66 HD21 LEU 66 -24.414 2.817 0.861 501 HD22 LEU 66 HD22 LEU 66 -25.624 3.862 1.604 502 HD23 LEU 66 HD23 LEU 66 -24.232 4.571 0.786 503 H ASN 67 HN ASN 67 -30.344 3.223 -0.451 504 HA ASN 67 HA ASN 67 -31.110 0.443 -0.523 505 HB2 ASN 67 HB2 ASN 67 -32.660 2.989 -0.829 506 HB3 ASN 67 HB1 ASN 67 -33.346 1.470 -1.391 507 HD21 ASN 67 HD21 ASN 67 -32.407 3.348 1.382 508 HD22 ASN 67 HD22 ASN 67 -33.132 2.311 2.543 509 H PHE 68 HN PHE 68 -31.215 -0.771 -2.215 510 HA PHE 68 HA PHE 68 -30.526 0.400 -4.802 511 HB2 PHE 68 HB2 PHE 68 -30.723 -2.514 -3.967 512 HB3 PHE 68 HB1 PHE 68 -30.046 -1.905 -5.475 513 HD1 PHE 68 HD1 PHE 68 -28.030 -0.264 -5.226 514 HD2 PHE 68 HD2 PHE 68 -29.318 -2.955 -2.190 515 HE1 PHE 68 HE1 PHE 68 -25.814 -0.129 -4.167 516 HE2 PHE 68 HE2 PHE 68 -27.104 -2.820 -1.129 517 HZ PHE 68 HZ PHE 68 -25.350 -1.407 -2.115 518 H ASP 69 HN ASP 69 -33.039 0.299 -3.182 519 HA ASP 69 HA ASP 69 -34.969 -1.033 -4.854 520 HB2 ASP 69 HB2 ASP 69 -35.328 -1.129 -2.481 521 HB3 ASP 69 HB1 ASP 69 -35.188 0.620 -2.343 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 31.572 2.917 5.285 2 H2 GLY 1 HT2 GLY 1 31.858 1.556 6.233 3 H3 GLY 1 HT3 GLY 1 30.733 2.734 6.737 4 HA2 GLY 1 HA1 GLY 1 29.652 0.761 5.807 5 HA3 GLY 1 HA2 GLY 1 29.322 2.231 4.891 6 HA PRO 2 HA PRO 2 32.260 -0.657 2.480 7 HB2 PRO 2 HB2 PRO 2 31.680 -3.270 2.615 8 HB3 PRO 2 HB1 PRO 2 32.704 -2.476 3.806 9 HG2 PRO 2 HG2 PRO 2 29.876 -3.348 4.047 10 HG3 PRO 2 HG1 PRO 2 31.143 -3.282 5.278 11 HD2 PRO 2 HD2 PRO 2 29.099 -1.393 4.888 12 HD3 PRO 2 HD1 PRO 2 30.548 -1.176 5.887 13 H HIS 3 HN HIS 3 28.913 -0.468 2.501 14 HA HIS 3 HA HIS 3 28.777 -1.661 -0.174 15 HB2 HIS 3 HB2 HIS 3 26.561 -1.309 1.848 16 HB3 HIS 3 HB1 HIS 3 26.278 -1.767 0.172 17 HD1 HIS 3 HD1 HIS 3 26.636 -4.249 -0.422 18 HD2 HIS 3 HD2 HIS 3 27.871 -3.260 3.417 19 HE1 HIS 3 HE1 HIS 3 27.155 -6.424 0.722 20 H MET 4 HN MET 4 27.020 0.820 1.606 21 HA MET 4 HA MET 4 26.130 2.769 1.086 22 HB2 MET 4 HB2 MET 4 28.488 2.992 -0.783 23 HB3 MET 4 HB1 MET 4 27.363 4.309 -0.454 24 HG2 MET 4 HG2 MET 4 27.983 4.112 1.951 25 HG3 MET 4 HG1 MET 4 29.222 2.951 1.481 26 HE1 MET 4 HE1 MET 4 29.170 7.381 0.189 27 HE2 MET 4 HE2 MET 4 27.947 6.625 1.219 28 HE3 MET 4 HE3 MET 4 28.061 6.186 -0.479 29 H ASP 5 HN ASP 5 24.220 2.426 0.310 30 HA ASP 5 HA ASP 5 23.937 2.241 -2.569 31 HB2 ASP 5 HB2 ASP 5 22.509 0.339 -2.481 32 HB3 ASP 5 HB1 ASP 5 23.952 -0.094 -1.570 33 H VAL 6 HN VAL 6 21.690 2.364 -3.075 34 HA VAL 6 HA VAL 6 19.837 3.578 -1.167 35 HB VAL 6 HB VAL 6 20.096 4.593 -4.024 36 HG11 VAL 6 HG11 VAL 6 18.825 5.821 -1.593 37 HG12 VAL 6 HG12 VAL 6 17.996 5.002 -2.914 38 HG13 VAL 6 HG13 VAL 6 18.835 6.528 -3.210 39 HG21 VAL 6 HG21 VAL 6 21.404 5.908 -1.641 40 HG22 VAL 6 HG22 VAL 6 21.235 6.636 -3.231 41 HG23 VAL 6 HG23 VAL 6 22.229 5.190 -3.026 42 H HIS 7 HN HIS 7 20.296 0.986 -1.944 43 HA HIS 7 HA HIS 7 18.520 0.690 -4.111 44 HB2 HIS 7 HB2 HIS 7 20.487 -1.309 -3.011 45 HB3 HIS 7 HB1 HIS 7 19.307 -1.732 -4.243 46 HD1 HIS 7 HD1 HIS 7 22.761 -0.833 -4.044 47 HD2 HIS 7 HD2 HIS 7 19.600 0.237 -6.539 48 HE1 HIS 7 HE1 HIS 7 23.798 0.056 -6.136 49 H LYS 8 HN LYS 8 18.728 0.159 -0.912 50 HA LYS 8 HA LYS 8 16.144 -1.245 -1.033 51 HB2 LYS 8 HB2 LYS 8 18.190 -1.520 1.191 52 HB3 LYS 8 HB1 LYS 8 16.617 -2.304 1.127 53 HG2 LYS 8 HG2 LYS 8 18.796 -2.758 -0.902 54 HG3 LYS 8 HG1 LYS 8 18.514 -3.788 0.502 55 HD2 LYS 8 HD2 LYS 8 16.355 -4.417 -0.299 56 HD3 LYS 8 HD1 LYS 8 16.407 -3.208 -1.579 57 HE2 LYS 8 HE2 LYS 8 16.835 -5.437 -2.466 58 HE3 LYS 8 HE1 LYS 8 18.238 -4.392 -2.642 59 HZ1 LYS 8 HZ1 LYS 8 17.909 -6.496 -0.543 60 HZ2 LYS 8 HZ2 LYS 8 19.280 -5.508 -0.767 61 HZ3 LYS 8 HZ3 LYS 8 18.858 -6.592 -1.932 62 H LYS 9 HN LYS 9 15.241 0.870 -1.230 63 HA LYS 9 HA LYS 9 14.491 1.747 1.395 64 HB2 LYS 9 HB2 LYS 9 14.247 4.125 0.353 65 HB3 LYS 9 HB1 LYS 9 15.783 3.668 1.092 66 HG2 LYS 9 HG2 LYS 9 16.316 4.817 -0.889 67 HG3 LYS 9 HG1 LYS 9 16.475 3.124 -1.339 68 HD2 LYS 9 HD2 LYS 9 14.236 3.197 -2.324 69 HD3 LYS 9 HD1 LYS 9 14.100 4.903 -1.898 70 HE2 LYS 9 HE2 LYS 9 16.033 5.415 -3.287 71 HE3 LYS 9 HE1 LYS 9 16.198 3.711 -3.713 72 HZ1 LYS 9 HZ1 LYS 9 15.106 4.893 -5.451 73 HZ2 LYS 9 HZ2 LYS 9 13.994 5.550 -4.388 74 HZ3 LYS 9 HZ3 LYS 9 13.935 3.902 -4.727 75 H CYS 10 HN CYS 10 12.522 2.024 1.748 76 HA CYS 10 HA CYS 10 10.510 1.176 -0.029 77 HB2 CYS 10 HB2 CYS 10 10.224 1.221 2.360 78 HB3 CYS 10 HB1 CYS 10 10.455 2.949 2.391 79 HA PRO 11 HA PRO 11 10.701 4.984 -2.299 80 HB2 PRO 11 HB2 PRO 11 8.734 4.403 -4.146 81 HB3 PRO 11 HB1 PRO 11 10.417 3.885 -4.279 82 HG2 PRO 11 HG2 PRO 11 8.025 2.326 -3.451 83 HG3 PRO 11 HG1 PRO 11 9.493 1.794 -4.275 84 HD2 PRO 11 HD2 PRO 11 8.929 1.410 -1.596 85 HD3 PRO 11 HD1 PRO 11 10.544 1.339 -2.324 86 H LEU 12 HN LEU 12 8.186 3.804 -0.439 87 HA LEU 12 HA LEU 12 6.408 6.070 -0.995 88 HB2 LEU 12 HB2 LEU 12 5.852 3.819 0.903 89 HB3 LEU 12 HB1 LEU 12 4.720 4.988 0.278 90 HG LEU 12 HG LEU 12 4.135 3.160 -0.944 91 HD11 LEU 12 HD11 LEU 12 6.314 4.213 -2.705 92 HD12 LEU 12 HD12 LEU 12 4.687 4.854 -2.608 93 HD13 LEU 12 HD13 LEU 12 4.957 3.216 -3.209 94 HD21 LEU 12 HD21 LEU 12 6.996 2.275 -1.134 95 HD22 LEU 12 HD22 LEU 12 5.542 1.397 -1.668 96 HD23 LEU 12 HD23 LEU 12 5.805 1.712 0.042 97 H CYS 13 HN CYS 13 8.073 4.597 1.838 98 HA CYS 13 HA CYS 13 7.579 7.184 3.196 99 HB2 CYS 13 HB2 CYS 13 7.679 6.128 5.328 100 HB3 CYS 13 HB1 CYS 13 6.568 5.232 4.280 101 H GLU 14 HN GLU 14 9.810 5.531 1.710 102 HA GLU 14 HA GLU 14 12.003 5.591 1.393 103 HB2 GLU 14 HB2 GLU 14 11.719 8.249 2.748 104 HB3 GLU 14 HB1 GLU 14 13.242 7.699 2.051 105 HG2 GLU 14 HG2 GLU 14 12.030 7.382 -0.119 106 HG3 GLU 14 HG1 GLU 14 10.636 8.162 0.621 107 H LEU 15 HN LEU 15 10.979 4.361 3.801 108 HA LEU 15 HA LEU 15 12.984 4.403 5.790 109 HB2 LEU 15 HB2 LEU 15 10.708 3.267 5.932 110 HB3 LEU 15 HB1 LEU 15 11.382 1.993 4.935 111 HG LEU 15 HG LEU 15 13.165 1.727 6.743 112 HD11 LEU 15 HD11 LEU 15 12.779 3.829 7.903 113 HD12 LEU 15 HD12 LEU 15 12.501 2.425 8.959 114 HD13 LEU 15 HD13 LEU 15 11.130 3.281 8.260 115 HD21 LEU 15 HD21 LEU 15 11.353 0.162 6.392 116 HD22 LEU 15 HD22 LEU 15 10.323 1.126 7.467 117 HD23 LEU 15 HD23 LEU 15 11.777 0.335 8.094 118 H MET 16 HN MET 16 14.988 3.595 5.701 119 HA MET 16 HA MET 16 15.823 2.325 3.250 120 HB2 MET 16 HB2 MET 16 16.904 4.400 4.038 121 HB3 MET 16 HB1 MET 16 17.364 3.570 5.514 122 HG2 MET 16 HG2 MET 16 18.755 2.071 4.288 123 HG3 MET 16 HG1 MET 16 18.153 2.781 2.779 124 HE1 MET 16 HE1 MET 16 21.326 2.492 3.624 125 HE2 MET 16 HE2 MET 16 21.925 4.019 2.977 126 HE3 MET 16 HE3 MET 16 20.756 3.069 2.059 127 H PHE 17 HN PHE 17 16.564 0.308 3.250 128 HA PHE 17 HA PHE 17 16.490 -1.153 5.800 129 HB2 PHE 17 HB2 PHE 17 16.062 -2.146 2.974 130 HB3 PHE 17 HB1 PHE 17 15.972 -3.130 4.421 131 HD1 PHE 17 HD1 PHE 17 14.168 -2.553 6.119 132 HD2 PHE 17 HD2 PHE 17 14.205 -1.060 2.138 133 HE1 PHE 17 HE1 PHE 17 11.765 -2.073 6.275 134 HE2 PHE 17 HE2 PHE 17 11.804 -0.579 2.288 135 HZ PHE 17 HZ PHE 17 10.580 -1.094 4.352 136 HA PRO 18 HA PRO 18 20.804 -2.230 5.204 137 HB2 PRO 18 HB2 PRO 18 20.649 -5.005 5.536 138 HB3 PRO 18 HB1 PRO 18 20.844 -3.843 6.848 139 HG2 PRO 18 HG2 PRO 18 18.375 -5.198 5.861 140 HG3 PRO 18 HG1 PRO 18 18.852 -4.799 7.520 141 HD2 PRO 18 HD2 PRO 18 17.021 -3.350 6.228 142 HD3 PRO 18 HD1 PRO 18 18.200 -2.582 7.309 143 HA PRO 19 HA PRO 19 21.162 -3.315 0.849 144 HB2 PRO 19 HB2 PRO 19 23.613 -4.774 1.654 145 HB3 PRO 19 HB1 PRO 19 23.415 -3.514 0.429 146 HG2 PRO 19 HG2 PRO 19 24.595 -2.960 2.735 147 HG3 PRO 19 HG1 PRO 19 23.474 -1.805 1.988 148 HD2 PRO 19 HD2 PRO 19 23.046 -3.625 4.316 149 HD3 PRO 19 HD1 PRO 19 22.467 -1.970 4.048 150 H ASN 20 HN ASN 20 21.632 -5.833 3.208 151 HA ASN 20 HA ASN 20 21.138 -7.681 1.113 152 HB2 ASN 20 HB2 ASN 20 21.870 -8.156 3.990 153 HB3 ASN 20 HB1 ASN 20 21.410 -9.475 2.928 154 HD21 ASN 20 HD21 ASN 20 23.374 -10.457 3.005 155 HD22 ASN 20 HD22 ASN 20 24.802 -9.800 2.290 156 H TYR 21 HN TYR 21 18.957 -5.844 2.654 157 HA TYR 21 HA TYR 21 17.176 -7.585 3.748 158 HB2 TYR 21 HB2 TYR 21 17.219 -5.238 4.014 159 HB3 TYR 21 HB1 TYR 21 16.676 -4.955 2.347 160 HD1 TYR 21 HD1 TYR 21 15.938 -6.228 5.602 161 HD2 TYR 21 HD2 TYR 21 14.352 -5.166 1.894 162 HE1 TYR 21 HE1 TYR 21 13.629 -6.348 6.604 163 HE2 TYR 21 HE2 TYR 21 12.031 -5.268 2.798 164 HH TYR 21 HH TYR 21 11.430 -5.428 6.135 165 H ASP 22 HN ASP 22 15.524 -8.395 3.020 166 HA ASP 22 HA ASP 22 15.622 -9.882 0.615 167 HB2 ASP 22 HB2 ASP 22 14.353 -10.418 2.926 168 HB3 ASP 22 HB1 ASP 22 13.191 -9.436 2.098 169 H GLN 23 HN GLN 23 14.962 -9.386 -1.165 170 HA GLN 23 HA GLN 23 13.694 -6.948 -1.888 171 HB2 GLN 23 HB2 GLN 23 14.585 -9.335 -3.299 172 HB3 GLN 23 HB1 GLN 23 13.472 -8.254 -4.126 173 HG2 GLN 23 HG2 GLN 23 15.110 -6.408 -3.623 174 HG3 GLN 23 HG1 GLN 23 16.209 -7.659 -3.020 175 HE21 GLN 23 HE21 GLN 23 14.540 -6.419 -5.781 176 HE22 GLN 23 HE22 GLN 23 15.535 -7.163 -6.979 177 H SER 24 HN SER 24 12.464 -10.152 -1.381 178 HA SER 24 HA SER 24 9.977 -9.596 -2.704 179 HB2 SER 24 HB2 SER 24 10.757 -11.876 -0.862 180 HB3 SER 24 HB1 SER 24 9.364 -11.849 -1.952 181 HG SER 24 HG SER 24 10.822 -11.710 -3.700 182 H LYS 25 HN LYS 25 11.188 -9.863 0.578 183 HA LYS 25 HA LYS 25 8.773 -9.222 1.906 184 HB2 LYS 25 HB2 LYS 25 11.612 -8.947 2.799 185 HB3 LYS 25 HB1 LYS 25 10.282 -8.812 3.885 186 HG2 LYS 25 HG2 LYS 25 9.534 -11.052 3.401 187 HG3 LYS 25 HG1 LYS 25 10.790 -11.224 2.177 188 HD2 LYS 25 HD2 LYS 25 12.453 -10.836 3.897 189 HD3 LYS 25 HD1 LYS 25 11.157 -10.822 5.106 190 HE2 LYS 25 HE2 LYS 25 12.297 -13.047 4.920 191 HE3 LYS 25 HE1 LYS 25 10.568 -13.108 4.585 192 HZ1 LYS 25 HZ1 LYS 25 12.732 -13.069 2.507 193 HZ2 LYS 25 HZ2 LYS 25 11.079 -13.121 2.210 194 HZ3 LYS 25 HZ3 LYS 25 11.809 -14.406 2.967 195 H PHE 26 HN PHE 26 11.231 -7.344 0.423 196 HA PHE 26 HA PHE 26 10.714 -4.762 1.376 197 HB2 PHE 26 HB2 PHE 26 12.679 -5.253 0.041 198 HB3 PHE 26 HB1 PHE 26 11.682 -5.782 -1.298 199 HD1 PHE 26 HD1 PHE 26 12.323 -2.750 0.771 200 HD2 PHE 26 HD2 PHE 26 11.300 -4.344 -3.036 201 HE1 PHE 26 HE1 PHE 26 12.413 -0.495 -0.201 202 HE2 PHE 26 HE2 PHE 26 11.382 -2.095 -4.010 203 HZ PHE 26 HZ PHE 26 11.933 -0.166 -2.599 204 H GLU 27 HN GLU 27 9.400 -6.519 -1.382 205 HA GLU 27 HA GLU 27 7.561 -4.552 -2.150 206 HB2 GLU 27 HB2 GLU 27 7.509 -7.520 -2.610 207 HB3 GLU 27 HB1 GLU 27 6.365 -6.398 -3.332 208 HG2 GLU 27 HG2 GLU 27 8.261 -5.245 -4.412 209 HG3 GLU 27 HG1 GLU 27 9.332 -6.487 -3.760 210 H GLU 28 HN GLU 28 7.349 -7.164 0.149 211 HA GLU 28 HA GLU 28 4.563 -6.793 0.835 212 HB2 GLU 28 HB2 GLU 28 6.877 -7.909 2.410 213 HB3 GLU 28 HB1 GLU 28 5.236 -7.850 3.023 214 HG2 GLU 28 HG2 GLU 28 6.130 -9.356 0.572 215 HG3 GLU 28 HG1 GLU 28 5.822 -10.061 2.160 216 H HIS 29 HN HIS 29 7.315 -5.033 1.683 217 HA HIS 29 HA HIS 29 5.653 -3.694 3.492 218 HB2 HIS 29 HB2 HIS 29 7.927 -3.830 4.225 219 HB3 HIS 29 HB1 HIS 29 8.533 -3.270 2.690 220 HD1 HIS 29 HD1 HIS 29 7.960 -2.136 6.108 221 HD2 HIS 29 HD2 HIS 29 8.064 -0.435 2.357 222 HE1 HIS 29 HE1 HIS 29 8.649 0.314 6.466 223 H VAL 30 HN VAL 30 7.022 -3.127 0.338 224 HA VAL 30 HA VAL 30 6.029 -0.476 -0.197 225 HB VAL 30 HB VAL 30 6.485 -2.764 -2.165 226 HG11 VAL 30 HG11 VAL 30 5.148 -0.834 -3.061 227 HG12 VAL 30 HG12 VAL 30 6.671 -1.134 -3.887 228 HG13 VAL 30 HG13 VAL 30 6.559 0.192 -2.743 229 HG21 VAL 30 HG21 VAL 30 8.680 -1.746 -2.574 230 HG22 VAL 30 HG22 VAL 30 8.505 -2.327 -0.919 231 HG23 VAL 30 HG23 VAL 30 8.376 -0.605 -1.266 232 H GLU 31 HN GLU 31 4.560 -3.595 -0.849 233 HA GLU 31 HA GLU 31 2.273 -2.338 -1.921 234 HB2 GLU 31 HB2 GLU 31 2.689 -5.187 -1.069 235 HB3 GLU 31 HB1 GLU 31 1.303 -4.601 -1.976 236 HG2 GLU 31 HG2 GLU 31 2.890 -3.857 -3.762 237 HG3 GLU 31 HG1 GLU 31 4.168 -4.667 -2.849 238 H SER 32 HN SER 32 3.230 -2.891 1.312 239 HA SER 32 HA SER 32 0.515 -2.936 2.241 240 HB2 SER 32 HB2 SER 32 3.120 -2.650 3.753 241 HB3 SER 32 HB1 SER 32 1.531 -2.655 4.529 242 HG SER 32 HG SER 32 2.929 -4.714 3.255 243 H HIS 33 HN HIS 33 2.971 -0.556 1.543 244 HA HIS 33 HA HIS 33 1.535 1.620 2.682 245 HB2 HIS 33 HB2 HIS 33 3.647 1.437 0.587 246 HB3 HIS 33 HB1 HIS 33 2.867 2.966 0.966 247 HD1 HIS 33 HD1 HIS 33 3.673 4.154 3.091 248 HD2 HIS 33 HD2 HIS 33 5.113 0.289 2.699 249 HE1 HIS 33 HE1 HIS 33 5.400 3.842 4.913 250 H TRP 34 HN TRP 34 1.311 -0.064 -0.448 251 HA TRP 34 HA TRP 34 -0.455 1.722 -1.606 252 HB2 TRP 34 HB2 TRP 34 0.313 -1.176 -1.850 253 HB3 TRP 34 HB1 TRP 34 -0.746 -0.292 -3.006 254 HD1 TRP 34 HD1 TRP 34 2.386 1.534 -1.925 255 HE1 TRP 34 HE1 TRP 34 4.011 1.231 -3.730 256 HE3 TRP 34 HE3 TRP 34 0.029 -1.882 -4.259 257 HZ2 TRP 34 HZ2 TRP 34 4.363 -0.406 -6.091 258 HZ3 TRP 34 HZ3 TRP 34 0.968 -2.987 -6.437 259 HH2 TRP 34 HH2 TRP 34 3.139 -2.198 -7.281 260 H LYS 35 HN LYS 35 -2.421 1.895 -1.178 261 HA LYS 35 HA LYS 35 -3.617 0.444 1.014 262 HB2 LYS 35 HB2 LYS 35 -4.768 2.748 -0.551 263 HB3 LYS 35 HB1 LYS 35 -5.357 2.135 0.984 264 HG2 LYS 35 HG2 LYS 35 -2.710 3.517 0.516 265 HG3 LYS 35 HG1 LYS 35 -4.133 4.222 1.281 266 HD2 LYS 35 HD2 LYS 35 -2.605 1.837 2.344 267 HD3 LYS 35 HD1 LYS 35 -2.401 3.493 2.908 268 HE2 LYS 35 HE2 LYS 35 -4.771 3.533 3.568 269 HE3 LYS 35 HE1 LYS 35 -4.932 1.861 3.044 270 HZ1 LYS 35 HZ1 LYS 35 -3.357 1.193 4.715 271 HZ2 LYS 35 HZ2 LYS 35 -4.597 2.060 5.430 272 HZ3 LYS 35 HZ3 LYS 35 -3.102 2.791 5.185 273 H VAL 36 HN VAL 36 -4.332 -1.208 0.757 274 HA VAL 36 HA VAL 36 -5.624 -1.950 -1.748 275 HB VAL 36 HB VAL 36 -3.782 -3.302 -0.939 276 HG11 VAL 36 HG11 VAL 36 -4.014 -4.798 0.987 277 HG12 VAL 36 HG12 VAL 36 -5.525 -3.991 1.399 278 HG13 VAL 36 HG13 VAL 36 -4.010 -3.090 1.428 279 HG21 VAL 36 HG21 VAL 36 -5.417 -4.381 -2.366 280 HG22 VAL 36 HG22 VAL 36 -6.415 -4.775 -0.968 281 HG23 VAL 36 HG23 VAL 36 -4.834 -5.534 -1.164 282 H CYS 37 HN CYS 37 -7.741 -2.274 -1.975 283 HA CYS 37 HA CYS 37 -9.557 -2.016 0.238 284 HB2 CYS 37 HB2 CYS 37 -10.076 -1.192 -2.107 285 HB3 CYS 37 HB1 CYS 37 -9.901 -2.830 -2.639 286 HA PRO 38 HA PRO 38 -8.694 -6.371 1.125 287 HB2 PRO 38 HB2 PRO 38 -11.282 -6.243 2.565 288 HB3 PRO 38 HB1 PRO 38 -9.692 -6.723 3.158 289 HG2 PRO 38 HG2 PRO 38 -10.789 -4.373 3.827 290 HG3 PRO 38 HG1 PRO 38 -9.045 -4.557 3.591 291 HD2 PRO 38 HD2 PRO 38 -11.083 -3.359 1.735 292 HD3 PRO 38 HD1 PRO 38 -9.389 -2.865 2.059 293 H MET 39 HN MET 39 -11.884 -5.269 0.234 294 HA MET 39 HA MET 39 -12.716 -7.872 -0.669 295 HB2 MET 39 HB2 MET 39 -14.080 -5.212 -0.695 296 HB3 MET 39 HB1 MET 39 -14.794 -6.632 -1.427 297 HG2 MET 39 HG2 MET 39 -15.745 -6.322 0.778 298 HG3 MET 39 HG1 MET 39 -14.763 -7.777 0.770 299 HE1 MET 39 HE1 MET 39 -15.039 -4.046 2.010 300 HE2 MET 39 HE2 MET 39 -13.565 -4.005 1.032 301 HE3 MET 39 HE3 MET 39 -13.470 -3.816 2.780 302 H CYS 40 HN CYS 40 -11.063 -5.258 -2.170 303 HA CYS 40 HA CYS 40 -11.896 -6.291 -4.798 304 HB2 CYS 40 HB2 CYS 40 -11.056 -3.700 -3.791 305 HB3 CYS 40 HB1 CYS 40 -10.583 -4.052 -5.491 306 H SER 41 HN SER 41 -9.307 -5.935 -2.569 307 HA SER 41 HA SER 41 -7.199 -6.497 -2.520 308 HB2 SER 41 HB2 SER 41 -7.921 -8.318 -4.840 309 HB3 SER 41 HB1 SER 41 -6.471 -8.431 -3.829 310 HG SER 41 HG SER 41 -8.271 -8.398 -2.074 311 H GLU 42 HN GLU 42 -8.090 -4.182 -4.053 312 HA GLU 42 HA GLU 42 -6.026 -3.968 -5.971 313 HB2 GLU 42 HB2 GLU 42 -8.655 -2.621 -5.574 314 HB3 GLU 42 HB1 GLU 42 -7.366 -1.913 -6.536 315 HG2 GLU 42 HG2 GLU 42 -7.313 -3.934 -7.855 316 HG3 GLU 42 HG1 GLU 42 -8.733 -4.541 -6.989 317 H GLN 43 HN GLN 43 -4.726 -2.890 -5.617 318 HA GLN 43 HA GLN 43 -4.145 -1.479 -3.066 319 HB2 GLN 43 HB2 GLN 43 -2.521 -2.344 -5.400 320 HB3 GLN 43 HB1 GLN 43 -1.869 -1.816 -3.819 321 HG2 GLN 43 HG2 GLN 43 -2.838 -3.862 -2.835 322 HG3 GLN 43 HG1 GLN 43 -3.536 -4.264 -4.387 323 HE21 GLN 43 HE21 GLN 43 -0.576 -4.143 -2.586 324 HE22 GLN 43 HE22 GLN 43 0.351 -5.055 -3.734 325 H PHE 44 HN PHE 44 -4.258 0.604 -3.119 326 HA PHE 44 HA PHE 44 -4.020 2.167 -5.584 327 HB2 PHE 44 HB2 PHE 44 -5.003 2.803 -2.799 328 HB3 PHE 44 HB1 PHE 44 -4.932 3.972 -4.103 329 HD1 PHE 44 HD1 PHE 44 -6.551 3.681 -6.036 330 HD2 PHE 44 HD2 PHE 44 -6.734 1.207 -2.590 331 HE1 PHE 44 HE1 PHE 44 -8.825 2.951 -6.664 332 HE2 PHE 44 HE2 PHE 44 -8.991 0.481 -3.214 333 HZ PHE 44 HZ PHE 44 -10.038 1.352 -5.250 334 HA PRO 45 HA PRO 45 -0.004 3.435 -4.125 335 HB2 PRO 45 HB2 PRO 45 0.068 6.115 -4.771 336 HB3 PRO 45 HB1 PRO 45 0.289 4.819 -5.951 337 HG2 PRO 45 HG2 PRO 45 -2.160 6.429 -5.334 338 HG3 PRO 45 HG1 PRO 45 -1.540 5.910 -6.911 339 HD2 PRO 45 HD2 PRO 45 -3.584 4.687 -5.647 340 HD3 PRO 45 HD1 PRO 45 -2.463 3.800 -6.705 341 HA PRO 46 HA PRO 46 -0.461 5.132 0.021 342 HB2 PRO 46 HB2 PRO 46 1.872 6.493 0.378 343 HB3 PRO 46 HB1 PRO 46 1.855 4.733 0.352 344 HG2 PRO 46 HG2 PRO 46 2.482 6.648 -1.849 345 HG3 PRO 46 HG1 PRO 46 3.354 5.195 -1.314 346 HD2 PRO 46 HD2 PRO 46 1.758 5.108 -3.456 347 HD3 PRO 46 HD1 PRO 46 1.797 3.747 -2.318 348 H ASP 47 HN ASP 47 0.167 7.202 -2.621 349 HA ASP 47 HA ASP 47 -0.500 9.576 -1.102 350 HB2 ASP 47 HB2 ASP 47 0.436 10.855 -2.948 351 HB3 ASP 47 HB1 ASP 47 1.593 9.702 -2.306 352 H TYR 48 HN TYR 48 -2.457 7.465 -2.153 353 HA TYR 48 HA TYR 48 -4.099 8.924 -3.943 354 HB2 TYR 48 HB2 TYR 48 -3.736 6.336 -3.538 355 HB3 TYR 48 HB1 TYR 48 -4.789 6.591 -2.160 356 HD1 TYR 48 HD1 TYR 48 -4.616 7.217 -5.793 357 HD2 TYR 48 HD2 TYR 48 -7.067 6.296 -2.468 358 HE1 TYR 48 HE1 TYR 48 -6.502 6.874 -7.316 359 HE2 TYR 48 HE2 TYR 48 -8.990 5.944 -3.962 360 HH TYR 48 HH TYR 48 -8.618 5.637 -7.320 361 H ASP 49 HN ASP 49 -6.476 8.594 -2.472 362 HA ASP 49 HA ASP 49 -5.900 10.427 -0.275 363 HB2 ASP 49 HB2 ASP 49 -7.395 11.251 -2.310 364 HB3 ASP 49 HB1 ASP 49 -8.567 10.222 -1.553 365 H GLN 50 HN GLN 50 -6.665 9.892 1.592 366 HA GLN 50 HA GLN 50 -7.424 7.216 2.004 367 HB2 GLN 50 HB2 GLN 50 -7.251 9.565 3.829 368 HB3 GLN 50 HB1 GLN 50 -7.807 7.992 4.389 369 HG2 GLN 50 HG2 GLN 50 -5.161 8.505 3.058 370 HG3 GLN 50 HG1 GLN 50 -5.430 8.409 4.801 371 HE21 GLN 50 HE21 GLN 50 -7.347 6.249 4.665 372 HE22 GLN 50 HE22 GLN 50 -6.461 4.832 4.279 373 H GLN 51 HN GLN 51 -9.236 10.216 1.825 374 HA GLN 51 HA GLN 51 -11.593 8.975 2.858 375 HB2 GLN 51 HB2 GLN 51 -12.806 10.976 2.332 376 HB3 GLN 51 HB1 GLN 51 -11.225 11.451 2.940 377 HG2 GLN 51 HG2 GLN 51 -10.481 12.015 0.738 378 HG3 GLN 51 HG1 GLN 51 -11.946 11.342 0.022 379 HE21 GLN 51 HE21 GLN 51 -10.838 14.022 -0.154 380 HE22 GLN 51 HE22 GLN 51 -12.069 15.076 0.436 381 H VAL 52 HN VAL 52 -10.136 9.345 -0.306 382 HA VAL 52 HA VAL 52 -12.493 8.608 -1.730 383 HB VAL 52 HB VAL 52 -9.546 8.659 -2.527 384 HG11 VAL 52 HG11 VAL 52 -10.797 7.077 -3.943 385 HG12 VAL 52 HG12 VAL 52 -10.227 8.511 -4.794 386 HG13 VAL 52 HG13 VAL 52 -11.936 8.379 -4.352 387 HG21 VAL 52 HG21 VAL 52 -10.506 10.845 -2.008 388 HG22 VAL 52 HG22 VAL 52 -11.803 10.546 -3.161 389 HG23 VAL 52 HG23 VAL 52 -10.137 10.687 -3.725 390 H PHE 53 HN PHE 53 -9.844 7.081 -0.208 391 HA PHE 53 HA PHE 53 -10.272 4.447 -1.209 392 HB2 PHE 53 HB2 PHE 53 -8.066 5.115 -0.422 393 HB3 PHE 53 HB1 PHE 53 -8.716 5.496 1.163 394 HD1 PHE 53 HD2 PHE 53 -8.372 2.644 -1.201 395 HD2 PHE 53 HD1 PHE 53 -8.527 3.933 2.851 396 HE1 PHE 53 HE2 PHE 53 -7.839 0.366 -0.455 397 HE2 PHE 53 HE1 PHE 53 -7.992 1.658 3.600 398 HZ PHE 53 HZ PHE 53 -7.651 -0.129 1.948 399 H GLU 54 HN GLU 54 -11.001 6.102 1.883 400 HA GLU 54 HA GLU 54 -12.196 3.924 3.173 401 HB2 GLU 54 HB2 GLU 54 -12.788 6.858 3.535 402 HB3 GLU 54 HB1 GLU 54 -13.273 5.590 4.653 403 HG2 GLU 54 HG2 GLU 54 -10.872 5.026 4.979 404 HG3 GLU 54 HG1 GLU 54 -10.456 6.419 3.986 405 H ARG 55 HN ARG 55 -13.612 6.477 1.255 406 HA ARG 55 HA ARG 55 -16.301 5.677 1.562 407 HB2 ARG 55 HB2 ARG 55 -14.866 7.298 -0.496 408 HB3 ARG 55 HB1 ARG 55 -16.603 7.011 -0.613 409 HG2 ARG 55 HG2 ARG 55 -17.043 8.199 1.350 410 HG3 ARG 55 HG1 ARG 55 -15.359 8.129 1.870 411 HD2 ARG 55 HD2 ARG 55 -15.935 10.348 1.095 412 HD3 ARG 55 HD1 ARG 55 -14.719 9.552 0.091 413 HE ARG 55 HE ARG 55 -16.969 8.985 -1.247 414 HH11 ARG 55 HH11 ARG 55 -15.910 12.135 0.046 415 HH12 ARG 55 HH12 ARG 55 -16.504 13.009 -1.277 416 HH21 ARG 55 HH21 ARG 55 -17.795 10.235 -3.025 417 HH22 ARG 55 HH22 ARG 55 -17.623 11.935 -3.029 418 H HIS 56 HN HIS 56 -13.871 4.821 -0.810 419 HA HIS 56 HA HIS 56 -15.532 3.194 -2.402 420 HB2 HIS 56 HB2 HIS 56 -13.420 3.856 -3.328 421 HB3 HIS 56 HB1 HIS 56 -12.539 3.172 -1.973 422 HD1 HIS 56 HD1 HIS 56 -14.661 1.947 -4.927 423 HD2 HIS 56 HD2 HIS 56 -11.622 0.698 -2.392 424 HE1 HIS 56 HE1 HIS 56 -13.931 -0.336 -5.761 425 H VAL 57 HN VAL 57 -13.513 2.427 0.395 426 HA VAL 57 HA VAL 57 -13.904 -0.365 0.188 427 HB VAL 57 HB VAL 57 -12.995 1.318 2.545 428 HG11 VAL 57 HG11 VAL 57 -12.107 -0.767 3.497 429 HG12 VAL 57 HG12 VAL 57 -12.846 -1.673 2.173 430 HG13 VAL 57 HG13 VAL 57 -13.863 -0.808 3.326 431 HG21 VAL 57 HG21 VAL 57 -11.461 -0.326 0.549 432 HG22 VAL 57 HG22 VAL 57 -10.765 0.537 1.927 433 HG23 VAL 57 HG23 VAL 57 -11.543 1.435 0.619 434 H GLN 58 HN GLN 58 -15.482 2.200 1.881 435 HA GLN 58 HA GLN 58 -17.129 0.639 3.487 436 HB2 GLN 58 HB2 GLN 58 -17.169 3.442 2.614 437 HB3 GLN 58 HB1 GLN 58 -18.577 2.817 3.492 438 HG2 GLN 58 HG2 GLN 58 -15.707 2.958 4.428 439 HG3 GLN 58 HG1 GLN 58 -17.072 3.905 5.021 440 HE21 GLN 58 HE21 GLN 58 -15.447 0.852 5.157 441 HE22 GLN 58 HE22 GLN 58 -16.399 0.193 6.442 442 H THR 59 HN THR 59 -17.436 1.337 0.127 443 HA THR 59 HA THR 59 -20.270 0.973 -0.027 444 HB THR 59 HB THR 59 -19.990 0.686 -2.443 445 HG1 THR 59 HG1 THR 59 -17.149 0.745 -2.111 446 HG21 THR 59 HG21 THR 59 -19.843 2.982 -1.649 447 HG22 THR 59 HG22 THR 59 -18.772 2.738 -3.029 448 HG23 THR 59 HG23 THR 59 -18.111 2.784 -1.392 449 H HIS 60 HN HIS 60 -17.506 -1.032 0.074 450 HA HIS 60 HA HIS 60 -18.794 -3.440 -0.801 451 HB2 HIS 60 HB2 HIS 60 -16.158 -3.022 0.640 452 HB3 HIS 60 HB1 HIS 60 -16.686 -4.552 -0.055 453 HD1 HIS 60 HD1 HIS 60 -15.898 -4.939 -2.457 454 HD2 HIS 60 HD2 HIS 60 -15.871 -0.927 -1.394 455 HE1 HIS 60 HE1 HIS 60 -14.510 -3.689 -4.234 456 H PHE 61 HN PHE 61 -18.207 -1.787 2.189 457 HA PHE 61 HA PHE 61 -19.165 -3.960 3.830 458 HB2 PHE 61 HB2 PHE 61 -18.450 -1.093 4.439 459 HB3 PHE 61 HB1 PHE 61 -19.246 -2.108 5.628 460 HD1 PHE 61 HD1 PHE 61 -16.144 -1.554 3.744 461 HD2 PHE 61 HD2 PHE 61 -18.063 -3.856 6.750 462 HE1 PHE 61 HE1 PHE 61 -13.959 -2.433 4.488 463 HE2 PHE 61 HE2 PHE 61 -15.898 -4.732 7.478 464 HZ PHE 61 HZ PHE 61 -13.839 -4.012 6.344 465 H ASP 62 HN ASP 62 -20.406 -1.126 2.287 466 HA ASP 62 HA ASP 62 -22.932 -1.097 3.609 467 HB2 ASP 62 HB2 ASP 62 -21.974 0.863 2.441 468 HB3 ASP 62 HB1 ASP 62 -22.136 0.004 0.920 469 H GLN 63 HN GLN 63 -21.750 -2.206 0.666 470 HA GLN 63 HA GLN 63 -22.203 -3.792 -0.784 471 HB2 GLN 63 HB2 GLN 63 -22.407 -5.116 1.397 472 HB3 GLN 63 HB1 GLN 63 -24.146 -5.002 1.179 473 HG2 GLN 63 HG2 GLN 63 -23.335 -7.093 0.399 474 HG3 GLN 63 HG1 GLN 63 -23.936 -6.126 -0.967 475 HE21 GLN 63 HE21 GLN 63 -21.172 -7.527 0.560 476 HE22 GLN 63 HE22 GLN 63 -20.069 -7.256 -0.736 477 H ASN 64 HN ASN 64 -24.059 -1.371 -0.248 478 HA ASN 64 HA ASN 64 -25.509 -0.226 -1.468 479 HB2 ASN 64 HB2 ASN 64 -24.733 -1.472 -3.491 480 HB3 ASN 64 HB1 ASN 64 -25.970 -2.686 -3.176 481 HD21 ASN 64 HD21 ASN 64 -27.057 -2.334 -5.078 482 HD22 ASN 64 HD22 ASN 64 -27.952 -0.897 -5.411 483 H VAL 65 HN VAL 65 -26.369 -3.156 -0.071 484 HA VAL 65 HA VAL 65 -29.202 -2.691 -0.308 485 HB VAL 65 HB VAL 65 -29.518 -4.757 1.019 486 HG11 VAL 65 HG11 VAL 65 -27.575 -5.016 -1.269 487 HG12 VAL 65 HG12 VAL 65 -29.331 -4.920 -1.395 488 HG13 VAL 65 HG13 VAL 65 -28.576 -6.315 -0.626 489 HG21 VAL 65 HG21 VAL 65 -27.574 -6.131 1.602 490 HG22 VAL 65 HG22 VAL 65 -27.543 -4.584 2.452 491 HG23 VAL 65 HG23 VAL 65 -26.499 -4.846 1.055 492 H LEU 66 HN LEU 66 -27.116 -1.229 1.516 493 HA LEU 66 HA LEU 66 -28.862 -1.176 3.900 494 HB2 LEU 66 HB2 LEU 66 -26.095 -0.013 3.634 495 HB3 LEU 66 HB1 LEU 66 -27.056 -0.072 5.090 496 HG LEU 66 HG LEU 66 -25.729 -2.349 3.658 497 HD11 LEU 66 HD11 LEU 66 -25.396 -1.259 6.436 498 HD12 LEU 66 HD12 LEU 66 -24.326 -0.965 5.077 499 HD13 LEU 66 HD13 LEU 66 -24.497 -2.600 5.722 500 HD21 LEU 66 HD21 LEU 66 -27.895 -3.160 4.385 501 HD22 LEU 66 HD22 LEU 66 -27.659 -2.467 5.979 502 HD23 LEU 66 HD23 LEU 66 -26.645 -3.812 5.446 503 H ASN 67 HN ASN 67 -28.697 0.309 1.118 504 HA ASN 67 HA ASN 67 -28.574 3.065 1.863 505 HB2 ASN 67 HB2 ASN 67 -28.036 2.137 -0.435 506 HB3 ASN 67 HB1 ASN 67 -29.760 1.895 -0.652 507 HD21 ASN 67 HD21 ASN 67 -27.841 3.558 -2.110 508 HD22 ASN 67 HD22 ASN 67 -28.490 5.158 -2.076 509 H PHE 68 HN PHE 68 -31.301 0.975 0.800 510 HA PHE 68 HA PHE 68 -33.046 2.874 2.197 511 HB2 PHE 68 HB2 PHE 68 -33.416 2.788 -0.258 512 HB3 PHE 68 HB1 PHE 68 -33.761 1.071 -0.130 513 HD1 PHE 68 HD2 PHE 68 -34.953 4.435 0.801 514 HD2 PHE 68 HD1 PHE 68 -35.925 0.301 0.492 515 HE1 PHE 68 HE2 PHE 68 -37.324 4.968 1.185 516 HE2 PHE 68 HE1 PHE 68 -38.300 0.831 0.868 517 HZ PHE 68 HZ PHE 68 -39.000 3.163 1.219 518 H ASP 69 HN ASP 69 -33.384 2.069 4.128 519 HA ASP 69 HA ASP 69 -35.076 -0.107 4.559 520 HB2 ASP 69 HB2 ASP 69 -33.139 -1.550 4.256 521 HB3 ASP 69 HB1 ASP 69 -32.183 -0.550 5.343 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 28.154 3.091 11.066 2 H2 GLY 1 HT2 GLY 1 27.159 3.069 9.696 3 H3 GLY 1 HT3 GLY 1 28.483 4.105 9.737 4 HA2 GLY 1 HA1 GLY 1 29.975 2.227 9.727 5 HA3 GLY 1 HA2 GLY 1 28.562 1.172 9.661 6 HA PRO 2 HA PRO 2 29.490 1.825 5.268 7 HB2 PRO 2 HB2 PRO 2 27.708 -0.500 4.936 8 HB3 PRO 2 HB1 PRO 2 29.382 -0.296 4.402 9 HG2 PRO 2 HG2 PRO 2 28.766 -1.947 6.419 10 HG3 PRO 2 HG1 PRO 2 30.256 -0.987 6.426 11 HD2 PRO 2 HD2 PRO 2 27.668 -0.462 7.852 12 HD3 PRO 2 HD1 PRO 2 29.339 -0.340 8.459 13 H HIS 3 HN HIS 3 28.343 3.550 4.701 14 HA HIS 3 HA HIS 3 25.450 3.564 4.988 15 HB2 HIS 3 HB2 HIS 3 25.660 6.020 4.520 16 HB3 HIS 3 HB1 HIS 3 26.539 5.484 5.946 17 HD1 HIS 3 HD1 HIS 3 29.035 6.012 6.010 18 HD2 HIS 3 HD2 HIS 3 27.331 6.665 2.271 19 HE1 HIS 3 HE1 HIS 3 30.793 7.172 4.624 20 H MET 4 HN MET 4 27.040 2.168 2.873 21 HA MET 4 HA MET 4 26.254 3.477 0.431 22 HB2 MET 4 HB2 MET 4 28.267 2.120 0.376 23 HB3 MET 4 HB1 MET 4 27.358 0.697 0.878 24 HG2 MET 4 HG2 MET 4 27.838 0.718 -1.540 25 HG3 MET 4 HG1 MET 4 26.113 0.706 -1.184 26 HE1 MET 4 HE1 MET 4 26.037 2.830 -4.378 27 HE2 MET 4 HE2 MET 4 25.311 1.510 -3.457 28 HE3 MET 4 HE3 MET 4 26.973 1.366 -4.040 29 H ASP 5 HN ASP 5 24.162 3.806 0.829 30 HA ASP 5 HA ASP 5 22.529 1.779 -0.320 31 HB2 ASP 5 HB2 ASP 5 22.119 1.020 1.873 32 HB3 ASP 5 HB1 ASP 5 22.025 2.657 2.518 33 H VAL 6 HN VAL 6 21.327 2.636 -1.645 34 HA VAL 6 HA VAL 6 19.607 4.837 -1.072 35 HB VAL 6 HB VAL 6 21.702 5.880 -2.051 36 HG11 VAL 6 HG11 VAL 6 20.987 4.328 -4.519 37 HG12 VAL 6 HG12 VAL 6 22.441 4.162 -3.532 38 HG13 VAL 6 HG13 VAL 6 22.164 5.641 -4.452 39 HG21 VAL 6 HG21 VAL 6 20.542 7.283 -3.731 40 HG22 VAL 6 HG22 VAL 6 19.612 7.070 -2.248 41 HG23 VAL 6 HG23 VAL 6 19.189 6.154 -3.694 42 H HIS 7 HN HIS 7 19.697 1.995 -1.339 43 HA HIS 7 HA HIS 7 18.204 1.813 -3.781 44 HB2 HIS 7 HB2 HIS 7 20.149 -0.296 -2.887 45 HB3 HIS 7 HB1 HIS 7 19.104 -0.430 -4.288 46 HD1 HIS 7 HD1 HIS 7 19.708 1.310 -6.323 47 HD2 HIS 7 HD2 HIS 7 22.495 0.946 -3.258 48 HE1 HIS 7 HE1 HIS 7 21.849 2.266 -7.205 49 H LYS 8 HN LYS 8 18.426 0.979 -0.622 50 HA LYS 8 HA LYS 8 16.135 -0.847 -0.878 51 HB2 LYS 8 HB2 LYS 8 18.617 -1.236 0.399 52 HB3 LYS 8 HB1 LYS 8 17.479 -0.952 1.693 53 HG2 LYS 8 HG2 LYS 8 17.725 -3.331 1.247 54 HG3 LYS 8 HG1 LYS 8 16.085 -2.799 0.896 55 HD2 LYS 8 HD2 LYS 8 16.952 -4.354 -0.804 56 HD3 LYS 8 HD1 LYS 8 16.562 -2.780 -1.485 57 HE2 LYS 8 HE2 LYS 8 18.948 -2.176 -1.452 58 HE3 LYS 8 HE1 LYS 8 19.336 -3.737 -0.729 59 HZ1 LYS 8 HZ1 LYS 8 18.079 -3.380 -3.396 60 HZ2 LYS 8 HZ2 LYS 8 18.609 -4.832 -2.726 61 HZ3 LYS 8 HZ3 LYS 8 19.712 -3.656 -3.156 62 H LYS 9 HN LYS 9 14.818 1.022 -0.981 63 HA LYS 9 HA LYS 9 14.446 2.319 1.631 64 HB2 LYS 9 HB2 LYS 9 13.800 3.945 -0.762 65 HB3 LYS 9 HB1 LYS 9 14.426 4.429 0.781 66 HG2 LYS 9 HG2 LYS 9 16.102 3.181 -1.394 67 HG3 LYS 9 HG1 LYS 9 15.926 4.906 -1.125 68 HD2 LYS 9 HD2 LYS 9 17.079 2.932 0.841 69 HD3 LYS 9 HD1 LYS 9 18.021 3.982 -0.204 70 HE2 LYS 9 HE2 LYS 9 16.874 5.925 0.894 71 HE3 LYS 9 HE1 LYS 9 16.183 4.774 2.041 72 HZ1 LYS 9 HZ1 LYS 9 19.034 5.406 1.611 73 HZ2 LYS 9 HZ2 LYS 9 18.571 4.074 2.460 74 HZ3 LYS 9 HZ3 LYS 9 18.160 5.640 3.030 75 H CYS 10 HN CYS 10 12.342 2.581 2.118 76 HA CYS 10 HA CYS 10 10.041 1.400 0.985 77 HB2 CYS 10 HB2 CYS 10 10.869 3.148 3.024 78 HB3 CYS 10 HB1 CYS 10 9.741 4.127 2.133 79 HA PRO 11 HA PRO 11 11.046 3.944 -2.711 80 HB2 PRO 11 HB2 PRO 11 9.169 2.920 -4.456 81 HB3 PRO 11 HB1 PRO 11 10.756 2.223 -4.152 82 HG2 PRO 11 HG2 PRO 11 8.108 1.345 -3.208 83 HG3 PRO 11 HG1 PRO 11 9.582 0.414 -3.453 84 HD2 PRO 11 HD2 PRO 11 8.565 1.227 -0.987 85 HD3 PRO 11 HD1 PRO 11 10.216 0.664 -1.279 86 H LEU 12 HN LEU 12 7.804 3.633 -1.597 87 HA LEU 12 HA LEU 12 6.963 6.112 -2.958 88 HB2 LEU 12 HB2 LEU 12 5.378 4.271 -1.185 89 HB3 LEU 12 HB1 LEU 12 4.750 5.456 -2.337 90 HG LEU 12 HG LEU 12 4.281 3.610 -3.324 91 HD11 LEU 12 HD11 LEU 12 7.069 3.911 -4.336 92 HD12 LEU 12 HD12 LEU 12 5.583 4.622 -4.971 93 HD13 LEU 12 HD13 LEU 12 5.850 2.880 -5.081 94 HD21 LEU 12 HD21 LEU 12 6.617 2.177 -2.086 95 HD22 LEU 12 HD22 LEU 12 5.458 1.440 -3.205 96 HD23 LEU 12 HD23 LEU 12 4.907 2.055 -1.659 97 H CYS 13 HN CYS 13 8.138 4.851 -0.168 98 HA CYS 13 HA CYS 13 6.505 6.524 1.570 99 HB2 CYS 13 HB2 CYS 13 7.004 4.231 2.872 100 HB3 CYS 13 HB1 CYS 13 5.614 4.644 1.855 101 H GLU 14 HN GLU 14 9.657 6.026 0.811 102 HA GLU 14 HA GLU 14 11.587 6.903 1.476 103 HB2 GLU 14 HB2 GLU 14 9.862 8.698 3.116 104 HB3 GLU 14 HB1 GLU 14 11.604 8.920 2.948 105 HG2 GLU 14 HG2 GLU 14 9.540 8.956 0.763 106 HG3 GLU 14 HG1 GLU 14 10.535 10.303 1.321 107 H LEU 15 HN LEU 15 10.106 5.197 3.937 108 HA LEU 15 HA LEU 15 12.119 5.091 5.953 109 HB2 LEU 15 HB2 LEU 15 9.946 3.971 6.287 110 HB3 LEU 15 HB1 LEU 15 10.176 3.091 4.801 111 HG LEU 15 HG LEU 15 11.995 2.379 7.053 112 HD11 LEU 15 HD11 LEU 15 10.258 0.855 7.855 113 HD12 LEU 15 HD12 LEU 15 9.142 1.468 6.642 114 HD13 LEU 15 HD13 LEU 15 9.661 2.517 7.973 115 HD21 LEU 15 HD21 LEU 15 12.229 1.400 4.802 116 HD22 LEU 15 HD22 LEU 15 10.561 0.889 4.818 117 HD23 LEU 15 HD23 LEU 15 11.702 0.184 5.956 118 H MET 16 HN MET 16 13.854 3.492 6.223 119 HA MET 16 HA MET 16 14.821 2.654 3.593 120 HB2 MET 16 HB2 MET 16 17.084 3.210 4.098 121 HB3 MET 16 HB1 MET 16 16.053 4.581 4.509 122 HG2 MET 16 HG2 MET 16 16.231 4.086 6.851 123 HG3 MET 16 HG1 MET 16 17.162 2.625 6.504 124 HE1 MET 16 HE1 MET 16 19.072 3.393 8.165 125 HE2 MET 16 HE2 MET 16 18.141 4.842 8.542 126 HE3 MET 16 HE3 MET 16 19.844 4.978 8.101 127 H PHE 17 HN PHE 17 16.127 0.795 3.458 128 HA PHE 17 HA PHE 17 15.637 -1.127 5.632 129 HB2 PHE 17 HB2 PHE 17 15.704 -1.481 2.631 130 HB3 PHE 17 HB1 PHE 17 15.687 -2.812 3.775 131 HD1 PHE 17 HD1 PHE 17 13.741 -0.077 2.281 132 HD2 PHE 17 HD2 PHE 17 13.719 -3.430 4.889 133 HE1 PHE 17 HE1 PHE 17 11.248 -0.091 2.272 134 HE2 PHE 17 HE2 PHE 17 11.275 -3.443 4.855 135 HZ PHE 17 HZ PHE 17 10.069 -1.799 3.552 136 HA PRO 18 HA PRO 18 20.078 -1.705 5.342 137 HB2 PRO 18 HB2 PRO 18 19.659 -4.589 5.807 138 HB3 PRO 18 HB1 PRO 18 20.531 -3.424 6.804 139 HG2 PRO 18 HG2 PRO 18 18.174 -4.462 7.559 140 HG3 PRO 18 HG1 PRO 18 18.663 -2.800 7.961 141 HD2 PRO 18 HD2 PRO 18 16.776 -3.771 5.858 142 HD3 PRO 18 HD1 PRO 18 16.654 -2.347 6.915 143 HA PRO 19 HA PRO 19 20.431 -3.268 1.079 144 HB2 PRO 19 HB2 PRO 19 23.227 -3.846 1.717 145 HB3 PRO 19 HB1 PRO 19 22.566 -2.732 0.520 146 HG2 PRO 19 HG2 PRO 19 23.788 -1.864 2.756 147 HG3 PRO 19 HG1 PRO 19 22.442 -0.992 2.004 148 HD2 PRO 19 HD2 PRO 19 22.436 -2.700 4.466 149 HD3 PRO 19 HD1 PRO 19 21.525 -1.228 4.078 150 H ASN 20 HN ASN 20 20.831 -5.104 3.781 151 HA ASN 20 HA ASN 20 21.443 -7.403 2.201 152 HB2 ASN 20 HB2 ASN 20 21.173 -7.145 5.193 153 HB3 ASN 20 HB1 ASN 20 21.605 -8.640 4.381 154 HD21 ASN 20 HD21 ASN 20 23.656 -8.805 3.431 155 HD22 ASN 20 HD22 ASN 20 24.940 -7.729 3.846 156 H TYR 21 HN TYR 21 18.645 -5.759 2.937 157 HA TYR 21 HA TYR 21 16.953 -7.748 3.827 158 HB2 TYR 21 HB2 TYR 21 16.680 -5.445 4.183 159 HB3 TYR 21 HB1 TYR 21 16.522 -5.074 2.466 160 HD1 TYR 21 HD1 TYR 21 15.135 -6.541 5.403 161 HD2 TYR 21 HD2 TYR 21 14.373 -5.430 1.454 162 HE1 TYR 21 HE1 TYR 21 12.680 -6.778 5.848 163 HE2 TYR 21 HE2 TYR 21 11.937 -5.647 1.812 164 HH TYR 21 HH TYR 21 10.359 -6.650 3.266 165 H ASP 22 HN ASP 22 15.351 -8.533 2.653 166 HA ASP 22 HA ASP 22 16.204 -9.729 0.126 167 HB2 ASP 22 HB2 ASP 22 14.874 -10.964 2.127 168 HB3 ASP 22 HB1 ASP 22 13.589 -10.129 1.354 169 H GLN 23 HN GLN 23 15.548 -9.197 -1.648 170 HA GLN 23 HA GLN 23 13.981 -6.927 -2.148 171 HB2 GLN 23 HB2 GLN 23 15.217 -8.994 -3.785 172 HB3 GLN 23 HB1 GLN 23 14.011 -7.961 -4.551 173 HG2 GLN 23 HG2 GLN 23 15.350 -6.003 -3.746 174 HG3 GLN 23 HG1 GLN 23 16.564 -7.142 -3.169 175 HE21 GLN 23 HE21 GLN 23 15.049 -5.745 -5.943 176 HE22 GLN 23 HE22 GLN 23 16.248 -6.237 -7.081 177 H SER 24 HN SER 24 13.130 -10.347 -2.212 178 HA SER 24 HA SER 24 10.608 -9.811 -3.431 179 HB2 SER 24 HB2 SER 24 11.515 -12.253 -1.881 180 HB3 SER 24 HB1 SER 24 10.110 -12.168 -2.943 181 HG SER 24 HG SER 24 11.436 -11.882 -4.689 182 H LYS 25 HN LYS 25 11.868 -10.034 -0.218 183 HA LYS 25 HA LYS 25 9.369 -9.833 1.176 184 HB2 LYS 25 HB2 LYS 25 12.173 -9.166 2.080 185 HB3 LYS 25 HB1 LYS 25 10.857 -9.232 3.177 186 HG2 LYS 25 HG2 LYS 25 11.963 -11.545 1.609 187 HG3 LYS 25 HG1 LYS 25 12.091 -11.268 3.345 188 HD2 LYS 25 HD2 LYS 25 9.631 -11.464 3.513 189 HD3 LYS 25 HD1 LYS 25 9.564 -11.807 1.786 190 HE2 LYS 25 HE2 LYS 25 11.022 -13.765 2.157 191 HE3 LYS 25 HE1 LYS 25 10.954 -13.445 3.889 192 HZ1 LYS 25 HZ1 LYS 25 9.350 -15.120 3.256 193 HZ2 LYS 25 HZ2 LYS 25 8.660 -14.085 2.140 194 HZ3 LYS 25 HZ3 LYS 25 8.539 -13.737 3.788 195 H PHE 26 HN PHE 26 11.388 -7.619 -0.427 196 HA PHE 26 HA PHE 26 10.402 -5.188 0.753 197 HB2 PHE 26 HB2 PHE 26 12.656 -5.426 -0.207 198 HB3 PHE 26 HB1 PHE 26 11.950 -5.801 -1.753 199 HD1 PHE 26 HD2 PHE 26 11.632 -3.069 0.777 200 HD2 PHE 26 HD1 PHE 26 12.030 -4.181 -3.309 201 HE1 PHE 26 HE2 PHE 26 11.662 -0.688 0.127 202 HE2 PHE 26 HE1 PHE 26 12.063 -1.821 -3.958 203 HZ PHE 26 HZ PHE 26 11.883 -0.082 -2.250 204 H GLU 27 HN GLU 27 9.722 -7.177 -1.964 205 HA GLU 27 HA GLU 27 8.025 -5.439 -3.412 206 HB2 GLU 27 HB2 GLU 27 7.950 -8.455 -3.313 207 HB3 GLU 27 HB1 GLU 27 7.224 -7.446 -4.550 208 HG2 GLU 27 HG2 GLU 27 10.164 -7.694 -3.983 209 HG3 GLU 27 HG1 GLU 27 9.296 -8.486 -5.295 210 H GLU 28 HN GLU 28 7.566 -7.750 -0.852 211 HA GLU 28 HA GLU 28 4.658 -7.603 -0.622 212 HB2 GLU 28 HB2 GLU 28 6.532 -8.120 1.625 213 HB3 GLU 28 HB1 GLU 28 4.915 -8.757 1.376 214 HG2 GLU 28 HG2 GLU 28 5.984 -10.013 -0.620 215 HG3 GLU 28 HG1 GLU 28 7.488 -9.587 0.147 216 H HIS 29 HN HIS 29 7.191 -5.702 0.410 217 HA HIS 29 HA HIS 29 5.485 -4.445 2.118 218 HB2 HIS 29 HB2 HIS 29 7.584 -4.062 2.939 219 HB3 HIS 29 HB1 HIS 29 8.298 -4.146 1.347 220 HD1 HIS 29 HD1 HIS 29 8.065 -1.932 4.035 221 HD2 HIS 29 HD2 HIS 29 7.751 -1.437 -0.055 222 HE1 HIS 29 HE1 HIS 29 8.800 0.426 3.498 223 H VAL 30 HN VAL 30 6.838 -3.768 -1.033 224 HA VAL 30 HA VAL 30 5.590 -1.184 -1.476 225 HB VAL 30 HB VAL 30 6.587 -3.183 -3.537 226 HG11 VAL 30 HG11 VAL 30 6.877 -1.272 -4.969 227 HG12 VAL 30 HG12 VAL 30 6.394 -0.196 -3.675 228 HG13 VAL 30 HG13 VAL 30 5.206 -1.298 -4.389 229 HG21 VAL 30 HG21 VAL 30 8.371 -2.749 -1.899 230 HG22 VAL 30 HG22 VAL 30 8.166 -1.031 -2.067 231 HG23 VAL 30 HG23 VAL 30 8.755 -1.978 -3.430 232 H GLU 31 HN GLU 31 4.571 -4.428 -2.379 233 HA GLU 31 HA GLU 31 2.228 -3.477 -3.653 234 HB2 GLU 31 HB2 GLU 31 2.743 -6.167 -2.395 235 HB3 GLU 31 HB1 GLU 31 1.412 -5.793 -3.471 236 HG2 GLU 31 HG2 GLU 31 3.002 -5.341 -5.269 237 HG3 GLU 31 HG1 GLU 31 4.333 -5.732 -4.176 238 H SER 32 HN SER 32 3.013 -3.869 -0.311 239 HA SER 32 HA SER 32 0.218 -3.872 0.405 240 HB2 SER 32 HB2 SER 32 2.650 -3.850 2.188 241 HB3 SER 32 HB1 SER 32 0.977 -3.992 2.745 242 HG SER 32 HG SER 32 2.564 -5.767 1.301 243 H HIS 33 HN HIS 33 2.638 -1.513 -0.198 244 HA HIS 33 HA HIS 33 1.224 0.509 1.266 245 HB2 HIS 33 HB2 HIS 33 3.327 0.662 -0.841 246 HB3 HIS 33 HB1 HIS 33 2.498 2.099 -0.261 247 HD1 HIS 33 HD1 HIS 33 3.048 2.756 2.322 248 HD2 HIS 33 HD2 HIS 33 5.175 -0.368 0.706 249 HE1 HIS 33 HE1 HIS 33 5.034 2.398 3.882 250 H TRP 34 HN TRP 34 1.056 -0.858 -1.999 251 HA TRP 34 HA TRP 34 -0.813 0.777 -3.064 252 HB2 TRP 34 HB2 TRP 34 -0.057 -2.131 -3.160 253 HB3 TRP 34 HB1 TRP 34 -1.230 -1.362 -4.287 254 HD1 TRP 34 HD1 TRP 34 1.939 0.509 -3.517 255 HE1 TRP 34 HE1 TRP 34 3.401 0.232 -5.486 256 HE3 TRP 34 HE3 TRP 34 -0.543 -2.999 -5.551 257 HZ2 TRP 34 HZ2 TRP 34 3.574 -1.472 -7.822 258 HZ3 TRP 34 HZ3 TRP 34 0.223 -4.140 -7.774 259 HH2 TRP 34 HH2 TRP 34 2.290 -3.327 -8.838 260 H LYS 35 HN LYS 35 -2.791 0.966 -2.507 261 HA LYS 35 HA LYS 35 -3.795 -0.292 -0.114 262 HB2 LYS 35 HB2 LYS 35 -5.124 1.817 -1.823 263 HB3 LYS 35 HB1 LYS 35 -5.661 1.281 -0.242 264 HG2 LYS 35 HG2 LYS 35 -3.079 2.727 -0.827 265 HG3 LYS 35 HG1 LYS 35 -4.539 3.446 -0.146 266 HD2 LYS 35 HD2 LYS 35 -4.360 1.953 1.794 267 HD3 LYS 35 HD1 LYS 35 -2.913 1.235 1.087 268 HE2 LYS 35 HE2 LYS 35 -3.218 4.117 1.922 269 HE3 LYS 35 HE1 LYS 35 -2.349 2.876 2.818 270 HZ1 LYS 35 HZ1 LYS 35 -0.871 2.652 0.814 271 HZ2 LYS 35 HZ2 LYS 35 -0.782 4.119 1.602 272 HZ3 LYS 35 HZ3 LYS 35 -1.623 4.020 0.170 273 H VAL 36 HN VAL 36 -4.318 -2.051 -0.142 274 HA VAL 36 HA VAL 36 -5.913 -3.058 -2.341 275 HB VAL 36 HB VAL 36 -3.846 -4.176 -1.826 276 HG11 VAL 36 HG11 VAL 36 -3.612 -5.631 0.132 277 HG12 VAL 36 HG12 VAL 36 -5.060 -4.869 0.809 278 HG13 VAL 36 HG13 VAL 36 -3.620 -3.903 0.472 279 HG21 VAL 36 HG21 VAL 36 -4.677 -6.494 -1.852 280 HG22 VAL 36 HG22 VAL 36 -5.608 -5.447 -2.923 281 HG23 VAL 36 HG23 VAL 36 -6.265 -5.915 -1.355 282 H CYS 37 HN CYS 37 -7.931 -3.438 -2.221 283 HA CYS 37 HA CYS 37 -9.433 -3.186 0.225 284 HB2 CYS 37 HB2 CYS 37 -10.159 -2.289 -2.034 285 HB3 CYS 37 HB1 CYS 37 -10.149 -3.925 -2.582 286 HA PRO 38 HA PRO 38 -8.874 -7.646 0.664 287 HB2 PRO 38 HB2 PRO 38 -10.391 -8.019 2.884 288 HB3 PRO 38 HB1 PRO 38 -8.790 -7.273 2.949 289 HG2 PRO 38 HG2 PRO 38 -11.484 -5.980 2.991 290 HG3 PRO 38 HG1 PRO 38 -10.034 -5.574 3.929 291 HD2 PRO 38 HD2 PRO 38 -10.848 -4.233 1.649 292 HD3 PRO 38 HD1 PRO 38 -9.157 -4.287 2.215 293 H MET 39 HN MET 39 -11.603 -5.982 -0.086 294 HA MET 39 HA MET 39 -13.292 -8.365 -0.418 295 HB2 MET 39 HB2 MET 39 -13.953 -5.456 -0.141 296 HB3 MET 39 HB1 MET 39 -15.153 -6.696 -0.487 297 HG2 MET 39 HG2 MET 39 -14.899 -7.726 1.597 298 HG3 MET 39 HG1 MET 39 -13.352 -6.949 1.900 299 HE1 MET 39 HE1 MET 39 -13.867 -3.911 1.275 300 HE2 MET 39 HE2 MET 39 -13.067 -4.485 2.740 301 HE3 MET 39 HE3 MET 39 -14.390 -3.330 2.854 302 H CYS 40 HN CYS 40 -11.331 -6.291 -2.137 303 HA CYS 40 HA CYS 40 -12.731 -7.042 -4.617 304 HB2 CYS 40 HB2 CYS 40 -11.432 -4.541 -3.780 305 HB3 CYS 40 HB1 CYS 40 -11.343 -4.941 -5.527 306 H SER 41 HN SER 41 -9.765 -6.868 -2.780 307 HA SER 41 HA SER 41 -7.786 -7.712 -2.915 308 HB2 SER 41 HB2 SER 41 -8.709 -9.289 -5.337 309 HB3 SER 41 HB1 SER 41 -7.329 -9.631 -4.283 310 HG SER 41 HG SER 41 -8.687 -10.153 -2.631 311 H GLU 42 HN GLU 42 -8.737 -5.283 -4.424 312 HA GLU 42 HA GLU 42 -6.877 -5.134 -6.554 313 HB2 GLU 42 HB2 GLU 42 -9.434 -3.737 -5.834 314 HB3 GLU 42 HB1 GLU 42 -8.309 -3.151 -7.048 315 HG2 GLU 42 HG2 GLU 42 -8.565 -5.135 -8.297 316 HG3 GLU 42 HG1 GLU 42 -9.669 -5.833 -7.105 317 H GLN 43 HN GLN 43 -5.755 -3.759 -6.537 318 HA GLN 43 HA GLN 43 -4.850 -2.404 -4.002 319 HB2 GLN 43 HB2 GLN 43 -3.381 -3.427 -6.381 320 HB3 GLN 43 HB1 GLN 43 -2.594 -2.674 -4.970 321 HG2 GLN 43 HG2 GLN 43 -3.530 -4.612 -3.652 322 HG3 GLN 43 HG1 GLN 43 -4.099 -5.270 -5.164 323 HE21 GLN 43 HE21 GLN 43 -1.243 -4.575 -3.263 324 HE22 GLN 43 HE22 GLN 43 -0.206 -5.578 -4.192 325 H PHE 44 HN PHE 44 -4.933 -0.379 -4.073 326 HA PHE 44 HA PHE 44 -5.031 1.108 -6.573 327 HB2 PHE 44 HB2 PHE 44 -5.527 1.835 -3.689 328 HB3 PHE 44 HB1 PHE 44 -5.512 3.042 -4.963 329 HD1 PHE 44 HD2 PHE 44 -7.213 -0.030 -3.752 330 HD2 PHE 44 HD1 PHE 44 -7.470 3.373 -6.294 331 HE1 PHE 44 HE2 PHE 44 -9.575 -0.535 -4.185 332 HE2 PHE 44 HE1 PHE 44 -9.826 2.863 -6.734 333 HZ PHE 44 HZ PHE 44 -10.886 0.913 -5.680 334 HA PRO 45 HA PRO 45 -0.761 2.193 -6.390 335 HB2 PRO 45 HB2 PRO 45 -0.791 4.774 -7.273 336 HB3 PRO 45 HB1 PRO 45 -1.061 3.405 -8.355 337 HG2 PRO 45 HG2 PRO 45 -3.066 5.215 -7.053 338 HG3 PRO 45 HG1 PRO 45 -3.033 4.627 -8.722 339 HD2 PRO 45 HD2 PRO 45 -4.610 3.558 -6.849 340 HD3 PRO 45 HD1 PRO 45 -3.889 2.551 -8.128 341 HA PRO 46 HA PRO 46 0.204 4.212 -2.566 342 HB2 PRO 46 HB2 PRO 46 2.536 5.377 -3.893 343 HB3 PRO 46 HB1 PRO 46 2.472 4.271 -2.521 344 HG2 PRO 46 HG2 PRO 46 3.272 3.503 -4.993 345 HG3 PRO 46 HG1 PRO 46 2.457 2.412 -3.862 346 HD2 PRO 46 HD2 PRO 46 1.459 3.737 -6.304 347 HD3 PRO 46 HD1 PRO 46 1.018 2.186 -5.538 348 H ASP 47 HN ASP 47 -0.115 5.979 -5.495 349 HA ASP 47 HA ASP 47 0.103 8.572 -4.159 350 HB2 ASP 47 HB2 ASP 47 -0.463 8.018 -7.076 351 HB3 ASP 47 HB1 ASP 47 -0.127 9.586 -6.366 352 H TYR 48 HN TYR 48 -2.252 6.385 -4.080 353 HA TYR 48 HA TYR 48 -4.429 8.027 -4.827 354 HB2 TYR 48 HB2 TYR 48 -3.998 5.378 -4.928 355 HB3 TYR 48 HB1 TYR 48 -4.525 5.487 -3.260 356 HD1 TYR 48 HD2 TYR 48 -5.459 6.204 -6.724 357 HD2 TYR 48 HD1 TYR 48 -6.832 5.657 -2.752 358 HE1 TYR 48 HE2 TYR 48 -7.740 6.152 -7.555 359 HE2 TYR 48 HE1 TYR 48 -9.148 5.593 -3.554 360 HH TYR 48 HH TYR 48 -9.947 5.189 -6.784 361 H ASP 49 HN ASP 49 -5.920 8.127 -2.908 362 HA ASP 49 HA ASP 49 -4.320 9.025 -0.629 363 HB2 ASP 49 HB2 ASP 49 -6.088 10.603 -1.911 364 HB3 ASP 49 HB1 ASP 49 -7.184 9.718 -0.902 365 H GLN 50 HN GLN 50 -4.728 8.265 1.250 366 HA GLN 50 HA GLN 50 -5.979 5.739 1.443 367 HB2 GLN 50 HB2 GLN 50 -5.449 5.771 3.817 368 HB3 GLN 50 HB1 GLN 50 -4.071 6.225 2.818 369 HG2 GLN 50 HG2 GLN 50 -3.943 7.630 4.682 370 HG3 GLN 50 HG1 GLN 50 -4.657 8.622 3.418 371 HE21 GLN 50 HE21 GLN 50 -6.423 6.176 5.292 372 HE22 GLN 50 HE22 GLN 50 -7.459 7.328 6.047 373 H GLN 51 HN GLN 51 -6.992 8.912 2.206 374 HA GLN 51 HA GLN 51 -9.333 8.097 3.638 375 HB2 GLN 51 HB2 GLN 51 -10.108 10.372 3.574 376 HB3 GLN 51 HB1 GLN 51 -8.386 10.378 3.920 377 HG2 GLN 51 HG2 GLN 51 -7.950 10.967 1.579 378 HG3 GLN 51 HG1 GLN 51 -9.681 10.991 1.277 379 HE21 GLN 51 HE21 GLN 51 -10.290 12.242 3.878 380 HE22 GLN 51 HE22 GLN 51 -9.771 13.880 3.705 381 H VAL 52 HN VAL 52 -8.637 8.750 0.293 382 HA VAL 52 HA VAL 52 -11.335 8.690 -0.603 383 HB VAL 52 HB VAL 52 -8.662 8.370 -2.030 384 HG11 VAL 52 HG11 VAL 52 -9.799 8.766 -4.089 385 HG12 VAL 52 HG12 VAL 52 -11.382 8.752 -3.288 386 HG13 VAL 52 HG13 VAL 52 -10.397 7.275 -3.366 387 HG21 VAL 52 HG21 VAL 52 -9.057 10.640 -2.793 388 HG22 VAL 52 HG22 VAL 52 -9.075 10.564 -1.028 389 HG23 VAL 52 HG23 VAL 52 -10.586 10.677 -1.923 390 H PHE 53 HN PHE 53 -8.747 6.437 -0.161 391 HA PHE 53 HA PHE 53 -9.973 4.158 -1.287 392 HB2 PHE 53 HB2 PHE 53 -7.578 4.211 -1.004 393 HB3 PHE 53 HB1 PHE 53 -7.739 4.486 0.723 394 HD1 PHE 53 HD1 PHE 53 -8.758 1.983 -1.857 395 HD2 PHE 53 HD2 PHE 53 -7.388 2.702 2.112 396 HE1 PHE 53 HE1 PHE 53 -8.589 -0.442 -1.474 397 HE2 PHE 53 HE2 PHE 53 -7.213 0.282 2.496 398 HZ PHE 53 HZ PHE 53 -7.814 -1.291 0.703 399 H GLU 54 HN GLU 54 -9.986 5.625 1.923 400 HA GLU 54 HA GLU 54 -11.195 3.571 3.368 401 HB2 GLU 54 HB2 GLU 54 -11.533 6.556 3.683 402 HB3 GLU 54 HB1 GLU 54 -12.203 5.382 4.799 403 HG2 GLU 54 HG2 GLU 54 -9.933 4.616 5.321 404 HG3 GLU 54 HG1 GLU 54 -9.286 5.844 4.229 405 H ARG 55 HN ARG 55 -12.555 5.993 1.273 406 HA ARG 55 HA ARG 55 -15.257 5.400 1.980 407 HB2 ARG 55 HB2 ARG 55 -13.996 7.048 -0.131 408 HB3 ARG 55 HB1 ARG 55 -15.710 6.641 -0.328 409 HG2 ARG 55 HG2 ARG 55 -15.445 8.816 0.733 410 HG3 ARG 55 HG1 ARG 55 -16.162 7.679 1.873 411 HD2 ARG 55 HD2 ARG 55 -13.874 7.303 2.790 412 HD3 ARG 55 HD1 ARG 55 -13.303 8.591 1.743 413 HE ARG 55 HE ARG 55 -15.409 9.571 3.287 414 HH11 ARG 55 HH11 ARG 55 -12.064 8.509 3.625 415 HH12 ARG 55 HH12 ARG 55 -11.766 9.451 5.028 416 HH21 ARG 55 HH21 ARG 55 -15.006 10.809 5.207 417 HH22 ARG 55 HH22 ARG 55 -13.469 10.790 5.956 418 H HIS 56 HN HIS 56 -13.140 4.312 -0.563 419 HA HIS 56 HA HIS 56 -15.008 2.735 -1.929 420 HB2 HIS 56 HB2 HIS 56 -12.856 3.180 -2.955 421 HB3 HIS 56 HB1 HIS 56 -12.007 2.451 -1.606 422 HD1 HIS 56 HD1 HIS 56 -14.217 1.398 -4.552 423 HD2 HIS 56 HD2 HIS 56 -11.450 -0.180 -1.888 424 HE1 HIS 56 HE1 HIS 56 -13.708 -0.944 -5.366 425 H VAL 57 HN VAL 57 -12.940 2.036 0.841 426 HA VAL 57 HA VAL 57 -13.609 -0.727 0.937 427 HB VAL 57 HB VAL 57 -12.398 1.102 3.019 428 HG11 VAL 57 HG11 VAL 57 -12.562 -1.923 3.026 429 HG12 VAL 57 HG12 VAL 57 -13.432 -0.838 4.115 430 HG13 VAL 57 HG13 VAL 57 -11.672 -0.938 4.191 431 HG21 VAL 57 HG21 VAL 57 -11.201 -0.927 1.166 432 HG22 VAL 57 HG22 VAL 57 -10.308 -0.011 2.385 433 HG23 VAL 57 HG23 VAL 57 -11.072 0.820 1.024 434 H GLN 58 HN GLN 58 -14.736 2.153 2.536 435 HA GLN 58 HA GLN 58 -16.401 0.906 4.385 436 HB2 GLN 58 HB2 GLN 58 -16.206 3.646 3.319 437 HB3 GLN 58 HB1 GLN 58 -17.525 3.238 4.434 438 HG2 GLN 58 HG2 GLN 58 -14.555 3.031 4.940 439 HG3 GLN 58 HG1 GLN 58 -15.644 4.238 5.615 440 HE21 GLN 58 HE21 GLN 58 -14.670 0.896 5.699 441 HE22 GLN 58 HE22 GLN 58 -15.418 0.519 7.204 442 H THR 59 HN THR 59 -17.033 1.893 1.094 443 HA THR 59 HA THR 59 -19.809 1.539 1.440 444 HB THR 59 HB THR 59 -18.998 3.039 -0.335 445 HG1 THR 59 HG1 THR 59 -20.655 0.846 -1.005 446 HG21 THR 59 HG21 THR 59 -18.155 0.509 -1.739 447 HG22 THR 59 HG22 THR 59 -17.067 1.741 -1.098 448 HG23 THR 59 HG23 THR 59 -18.132 2.123 -2.452 449 H HIS 60 HN HIS 60 -17.238 -0.641 0.909 450 HA HIS 60 HA HIS 60 -18.868 -2.794 -0.066 451 HB2 HIS 60 HB2 HIS 60 -16.159 -2.821 1.310 452 HB3 HIS 60 HB1 HIS 60 -16.969 -4.277 0.772 453 HD1 HIS 60 HD1 HIS 60 -16.316 -5.030 -1.544 454 HD2 HIS 60 HD2 HIS 60 -15.648 -0.990 -0.916 455 HE1 HIS 60 HE1 HIS 60 -14.901 -4.151 -3.555 456 H PHE 61 HN PHE 61 -17.987 -1.497 3.063 457 HA PHE 61 HA PHE 61 -19.274 -3.660 4.474 458 HB2 PHE 61 HB2 PHE 61 -18.067 -1.063 5.401 459 HB3 PHE 61 HB1 PHE 61 -18.888 -2.156 6.499 460 HD1 PHE 61 HD2 PHE 61 -18.019 -4.655 6.345 461 HD2 PHE 61 HD1 PHE 61 -15.806 -1.218 5.201 462 HE1 PHE 61 HE2 PHE 61 -15.928 -5.914 6.657 463 HE2 PHE 61 HE1 PHE 61 -13.700 -2.470 5.508 464 HZ PHE 61 HZ PHE 61 -13.765 -4.818 6.238 465 H ASP 62 HN ASP 62 -19.992 -0.434 3.438 466 HA ASP 62 HA ASP 62 -22.380 -0.145 4.981 467 HB2 ASP 62 HB2 ASP 62 -21.104 1.781 4.049 468 HB3 ASP 62 HB1 ASP 62 -21.555 1.250 2.438 469 H GLN 63 HN GLN 63 -21.625 -0.913 1.809 470 HA GLN 63 HA GLN 63 -22.523 -2.038 0.109 471 HB2 GLN 63 HB2 GLN 63 -22.517 -3.823 1.815 472 HB3 GLN 63 HB1 GLN 63 -24.156 -3.406 2.263 473 HG2 GLN 63 HG2 GLN 63 -24.837 -3.976 -0.068 474 HG3 GLN 63 HG1 GLN 63 -23.212 -4.598 -0.328 475 HE21 GLN 63 HE21 GLN 63 -23.053 -5.620 2.448 476 HE22 GLN 63 HE22 GLN 63 -24.054 -7.015 2.473 477 H ASN 64 HN ASN 64 -24.207 0.329 1.539 478 HA ASN 64 HA ASN 64 -25.953 1.577 1.181 479 HB2 ASN 64 HB2 ASN 64 -26.624 -0.170 -1.218 480 HB3 ASN 64 HB1 ASN 64 -27.404 1.358 -0.830 481 HD21 ASN 64 HD21 ASN 64 -26.007 0.613 -3.212 482 HD22 ASN 64 HD22 ASN 64 -24.690 1.709 -3.407 483 H VAL 65 HN VAL 65 -25.981 -1.220 2.404 484 HA VAL 65 HA VAL 65 -28.867 -1.439 2.758 485 HB VAL 65 HB VAL 65 -27.526 -3.537 2.357 486 HG11 VAL 65 HG11 VAL 65 -26.095 -4.459 4.077 487 HG12 VAL 65 HG12 VAL 65 -26.412 -3.052 5.095 488 HG13 VAL 65 HG13 VAL 65 -25.540 -2.846 3.583 489 HG21 VAL 65 HG21 VAL 65 -28.561 -4.911 4.125 490 HG22 VAL 65 HG22 VAL 65 -29.686 -3.733 3.448 491 HG23 VAL 65 HG23 VAL 65 -28.946 -3.439 5.019 492 H LEU 66 HN LEU 66 -26.241 -0.124 3.982 493 HA LEU 66 HA LEU 66 -27.245 0.228 6.712 494 HB2 LEU 66 HB2 LEU 66 -24.894 -0.514 6.299 495 HB3 LEU 66 HB1 LEU 66 -24.594 0.997 5.471 496 HG LEU 66 HG LEU 66 -25.044 2.187 7.585 497 HD11 LEU 66 HD11 LEU 66 -25.019 0.897 9.688 498 HD12 LEU 66 HD12 LEU 66 -25.086 -0.596 8.754 499 HD13 LEU 66 HD13 LEU 66 -26.434 0.542 8.699 500 HD21 LEU 66 HD21 LEU 66 -22.776 1.657 6.851 501 HD22 LEU 66 HD22 LEU 66 -22.856 0.116 7.705 502 HD23 LEU 66 HD23 LEU 66 -22.912 1.634 8.604 503 H ASN 67 HN ASN 67 -27.914 1.443 3.941 504 HA ASN 67 HA ASN 67 -28.204 4.216 4.827 505 HB2 ASN 67 HB2 ASN 67 -26.311 3.801 3.058 506 HB3 ASN 67 HB1 ASN 67 -27.617 3.421 1.949 507 HD21 ASN 67 HD21 ASN 67 -25.676 5.506 1.733 508 HD22 ASN 67 HD22 ASN 67 -26.508 7.015 1.699 509 H PHE 68 HN PHE 68 -29.938 5.077 2.972 510 HA PHE 68 HA PHE 68 -32.034 3.088 3.157 511 HB2 PHE 68 HB2 PHE 68 -33.606 5.022 2.629 512 HB3 PHE 68 HB1 PHE 68 -32.784 5.094 4.176 513 HD1 PHE 68 HD2 PHE 68 -33.043 6.562 0.825 514 HD2 PHE 68 HD1 PHE 68 -31.192 6.834 4.641 515 HE1 PHE 68 HE2 PHE 68 -32.268 8.822 0.281 516 HE2 PHE 68 HE1 PHE 68 -30.419 9.098 4.104 517 HZ PHE 68 HZ PHE 68 -30.953 10.092 1.925 518 H ASP 69 HN ASP 69 -32.159 1.817 1.567 519 HA ASP 69 HA ASP 69 -32.532 2.869 -1.108 520 HB2 ASP 69 HB2 ASP 69 -30.142 2.202 -1.071 521 HB3 ASP 69 HB1 ASP 69 -30.603 0.606 -0.494 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 15.564 2.081 -5.554 2 H2 GLY 1 HT2 GLY 1 17.040 1.665 -4.857 3 H3 GLY 1 HT3 GLY 1 15.817 0.531 -4.949 4 HA2 GLY 1 HA1 GLY 1 15.938 0.552 -7.360 5 HA3 GLY 1 HA2 GLY 1 17.269 1.701 -7.229 6 HA PRO 2 HA PRO 2 18.877 -2.693 -6.837 7 HB2 PRO 2 HB2 PRO 2 19.674 -3.264 -9.301 8 HB3 PRO 2 HB1 PRO 2 17.962 -3.358 -8.877 9 HG2 PRO 2 HG2 PRO 2 19.430 -1.239 -10.386 10 HG3 PRO 2 HG1 PRO 2 17.814 -1.897 -10.676 11 HD2 PRO 2 HD2 PRO 2 18.382 0.481 -9.325 12 HD3 PRO 2 HD1 PRO 2 16.849 -0.404 -9.247 13 H HIS 3 HN HIS 3 20.126 0.046 -6.606 14 HA HIS 3 HA HIS 3 22.889 -0.783 -6.958 15 HB2 HIS 3 HB2 HIS 3 22.215 0.543 -8.998 16 HB3 HIS 3 HB1 HIS 3 21.837 1.892 -7.944 17 HD1 HIS 3 HD1 HIS 3 24.705 0.147 -9.584 18 HD2 HIS 3 HD2 HIS 3 24.081 3.211 -6.850 19 HE1 HIS 3 HE1 HIS 3 26.885 1.396 -9.422 20 H MET 4 HN MET 4 24.085 -0.123 -5.272 21 HA MET 4 HA MET 4 24.688 0.672 -3.290 22 HB2 MET 4 HB2 MET 4 24.653 2.881 -4.348 23 HB3 MET 4 HB1 MET 4 22.942 3.038 -4.004 24 HG2 MET 4 HG2 MET 4 24.344 4.349 -2.464 25 HG3 MET 4 HG1 MET 4 23.370 3.138 -1.638 26 HE1 MET 4 HE1 MET 4 26.709 2.522 -3.679 27 HE2 MET 4 HE2 MET 4 27.914 2.691 -2.404 28 HE3 MET 4 HE3 MET 4 26.969 4.089 -2.919 29 H ASP 5 HN ASP 5 24.018 -0.760 -1.911 30 HA ASP 5 HA ASP 5 21.250 -0.934 -1.123 31 HB2 ASP 5 HB2 ASP 5 23.668 -2.587 -0.522 32 HB3 ASP 5 HB1 ASP 5 22.193 -2.786 0.419 33 H VAL 6 HN VAL 6 22.956 1.424 -0.319 34 HA VAL 6 HA VAL 6 22.235 1.366 2.504 35 HB VAL 6 HB VAL 6 24.430 3.026 1.216 36 HG11 VAL 6 HG11 VAL 6 23.847 2.402 4.106 37 HG12 VAL 6 HG12 VAL 6 23.550 3.938 3.293 38 HG13 VAL 6 HG13 VAL 6 25.203 3.371 3.530 39 HG21 VAL 6 HG21 VAL 6 24.812 0.464 2.759 40 HG22 VAL 6 HG22 VAL 6 26.106 1.500 2.128 41 HG23 VAL 6 HG23 VAL 6 25.004 0.668 1.025 42 H HIS 7 HN HIS 7 21.424 2.175 -0.513 43 HA HIS 7 HA HIS 7 20.497 4.625 0.402 44 HB2 HIS 7 HB2 HIS 7 21.996 4.859 -1.499 45 HB3 HIS 7 HB1 HIS 7 20.985 3.817 -2.482 46 HD1 HIS 7 HD1 HIS 7 19.528 5.096 -4.081 47 HD2 HIS 7 HD2 HIS 7 20.430 7.296 -0.676 48 HE1 HIS 7 HE1 HIS 7 18.456 7.326 -4.402 49 H LYS 8 HN LYS 8 19.726 1.792 0.438 50 HA LYS 8 HA LYS 8 17.225 1.688 -1.012 51 HB2 LYS 8 HB2 LYS 8 18.854 -0.156 -1.222 52 HB3 LYS 8 HB1 LYS 8 18.629 -0.504 0.481 53 HG2 LYS 8 HG2 LYS 8 16.333 -1.103 0.144 54 HG3 LYS 8 HG1 LYS 8 16.389 -0.556 -1.532 55 HD2 LYS 8 HD2 LYS 8 18.077 -2.764 -0.406 56 HD3 LYS 8 HD1 LYS 8 16.546 -3.024 -1.252 57 HE2 LYS 8 HE2 LYS 8 17.466 -2.045 -3.280 58 HE3 LYS 8 HE1 LYS 8 18.957 -1.625 -2.453 59 HZ1 LYS 8 HZ1 LYS 8 19.105 -3.628 -3.817 60 HZ2 LYS 8 HZ2 LYS 8 18.009 -4.412 -2.794 61 HZ3 LYS 8 HZ3 LYS 8 19.510 -3.869 -2.209 62 H LYS 9 HN LYS 9 15.925 2.815 0.042 63 HA LYS 9 HA LYS 9 15.157 2.077 2.799 64 HB2 LYS 9 HB2 LYS 9 14.926 4.857 1.570 65 HB3 LYS 9 HB1 LYS 9 14.404 4.355 3.157 66 HG2 LYS 9 HG2 LYS 9 16.324 5.599 3.561 67 HG3 LYS 9 HG1 LYS 9 16.865 3.934 3.670 68 HD2 LYS 9 HD2 LYS 9 18.506 5.139 2.453 69 HD3 LYS 9 HD1 LYS 9 17.649 4.110 1.311 70 HE2 LYS 9 HE2 LYS 9 17.983 6.271 0.296 71 HE3 LYS 9 HE1 LYS 9 16.270 6.082 0.626 72 HZ1 LYS 9 HZ1 LYS 9 17.118 8.289 1.203 73 HZ2 LYS 9 HZ2 LYS 9 18.180 7.626 2.315 74 HZ3 LYS 9 HZ3 LYS 9 16.520 7.527 2.569 75 H CYS 10 HN CYS 10 13.066 1.842 3.099 76 HA CYS 10 HA CYS 10 11.258 1.290 1.013 77 HB2 CYS 10 HB2 CYS 10 10.972 0.695 3.407 78 HB3 CYS 10 HB1 CYS 10 10.789 2.372 3.790 79 HA PRO 11 HA PRO 11 11.540 5.556 -0.414 80 HB2 PRO 11 HB2 PRO 11 9.502 5.369 -2.302 81 HB3 PRO 11 HB1 PRO 11 11.211 5.040 -2.586 82 HG2 PRO 11 HG2 PRO 11 8.976 3.118 -2.143 83 HG3 PRO 11 HG1 PRO 11 10.465 2.928 -3.072 84 HD2 PRO 11 HD2 PRO 11 10.016 1.792 -0.654 85 HD3 PRO 11 HD1 PRO 11 11.631 2.207 -1.259 86 H LEU 12 HN LEU 12 8.753 4.203 0.940 87 HA LEU 12 HA LEU 12 7.270 6.683 0.762 88 HB2 LEU 12 HB2 LEU 12 6.391 4.247 2.244 89 HB3 LEU 12 HB1 LEU 12 5.421 5.560 1.619 90 HG LEU 12 HG LEU 12 4.909 3.945 0.161 91 HD11 LEU 12 HD11 LEU 12 6.072 4.207 -1.986 92 HD12 LEU 12 HD12 LEU 12 7.302 5.158 -1.160 93 HD13 LEU 12 HD13 LEU 12 5.637 5.737 -1.215 94 HD21 LEU 12 HD21 LEU 12 7.715 2.868 0.193 95 HD22 LEU 12 HD22 LEU 12 6.325 2.231 -0.707 96 HD23 LEU 12 HD23 LEU 12 6.307 2.219 1.054 97 H CYS 13 HN CYS 13 8.830 4.723 3.330 98 HA CYS 13 HA CYS 13 8.208 6.936 5.213 99 HB2 CYS 13 HB2 CYS 13 8.768 5.375 7.025 100 HB3 CYS 13 HB1 CYS 13 7.396 4.802 6.109 101 H GLU 14 HN GLU 14 10.641 5.389 3.534 102 HA GLU 14 HA GLU 14 12.716 5.273 3.456 103 HB2 GLU 14 HB2 GLU 14 12.561 8.081 4.446 104 HB3 GLU 14 HB1 GLU 14 14.109 7.334 4.044 105 HG2 GLU 14 HG2 GLU 14 13.191 6.770 1.816 106 HG3 GLU 14 HG1 GLU 14 11.752 7.694 2.223 107 H LEU 15 HN LEU 15 11.888 3.829 5.345 108 HA LEU 15 HA LEU 15 13.709 3.923 7.608 109 HB2 LEU 15 HB2 LEU 15 11.390 2.734 7.424 110 HB3 LEU 15 HB1 LEU 15 12.229 1.534 6.477 111 HG LEU 15 HG LEU 15 12.936 2.173 9.354 112 HD11 LEU 15 HD11 LEU 15 11.702 0.181 9.920 113 HD12 LEU 15 HD12 LEU 15 11.186 0.013 8.237 114 HD13 LEU 15 HD13 LEU 15 10.649 1.400 9.192 115 HD21 LEU 15 HD21 LEU 15 14.008 -0.014 9.326 116 HD22 LEU 15 HD22 LEU 15 14.700 1.019 8.070 117 HD23 LEU 15 HD23 LEU 15 13.540 -0.237 7.641 118 H MET 16 HN MET 16 15.565 2.894 7.760 119 HA MET 16 HA MET 16 16.866 2.570 5.162 120 HB2 MET 16 HB2 MET 16 17.869 3.099 7.906 121 HB3 MET 16 HB1 MET 16 18.988 2.735 6.578 122 HG2 MET 16 HG2 MET 16 18.049 4.735 5.406 123 HG3 MET 16 HG1 MET 16 17.105 5.079 6.853 124 HE1 MET 16 HE1 MET 16 19.937 5.832 9.492 125 HE2 MET 16 HE2 MET 16 19.168 4.276 9.191 126 HE3 MET 16 HE3 MET 16 18.198 5.751 9.218 127 H PHE 17 HN PHE 17 17.932 0.756 4.514 128 HA PHE 17 HA PHE 17 17.779 -1.524 6.333 129 HB2 PHE 17 HB2 PHE 17 17.371 -1.544 3.337 130 HB3 PHE 17 HB1 PHE 17 17.302 -2.942 4.402 131 HD1 PHE 17 HD1 PHE 17 15.542 -2.833 6.303 132 HD2 PHE 17 HD2 PHE 17 15.457 -0.416 2.816 133 HE1 PHE 17 HE1 PHE 17 13.145 -2.419 6.648 134 HE2 PHE 17 HE2 PHE 17 13.072 -0.005 3.155 135 HZ PHE 17 HZ PHE 17 11.919 -0.987 5.063 136 HA PRO 18 HA PRO 18 22.075 -2.026 5.092 137 HB2 PRO 18 HB2 PRO 18 22.511 -4.467 6.117 138 HB3 PRO 18 HB1 PRO 18 22.247 -3.084 7.185 139 HG2 PRO 18 HG2 PRO 18 20.340 -5.230 6.347 140 HG3 PRO 18 HG1 PRO 18 20.588 -4.522 7.955 141 HD2 PRO 18 HD2 PRO 18 18.555 -3.779 6.260 142 HD3 PRO 18 HD1 PRO 18 19.247 -2.726 7.502 143 HA PRO 19 HA PRO 19 22.016 -4.642 1.359 144 HB2 PRO 19 HB2 PRO 19 24.496 -5.693 1.342 145 HB3 PRO 19 HB1 PRO 19 24.221 -3.987 0.979 146 HG2 PRO 19 HG2 PRO 19 25.122 -5.252 3.539 147 HG3 PRO 19 HG1 PRO 19 25.743 -3.804 2.730 148 HD2 PRO 19 HD2 PRO 19 24.058 -3.648 4.822 149 HD3 PRO 19 HD1 PRO 19 24.000 -2.478 3.489 150 H ASN 20 HN ASN 20 21.772 -5.879 4.275 151 HA ASN 20 HA ASN 20 22.025 -8.577 3.267 152 HB2 ASN 20 HB2 ASN 20 21.935 -7.750 6.178 153 HB3 ASN 20 HB1 ASN 20 22.193 -9.380 5.580 154 HD21 ASN 20 HD21 ASN 20 24.213 -9.892 4.673 155 HD22 ASN 20 HD22 ASN 20 25.585 -8.879 4.922 156 H TYR 21 HN TYR 21 19.643 -6.242 3.722 157 HA TYR 21 HA TYR 21 17.860 -7.735 5.240 158 HB2 TYR 21 HB2 TYR 21 17.873 -5.466 5.438 159 HB3 TYR 21 HB1 TYR 21 17.701 -5.141 3.695 160 HD1 TYR 21 HD2 TYR 21 16.174 -6.239 6.774 161 HD2 TYR 21 HD1 TYR 21 15.530 -5.211 2.775 162 HE1 TYR 21 HE2 TYR 21 13.712 -6.177 7.234 163 HE2 TYR 21 HE1 TYR 21 13.076 -5.126 3.150 164 HH TYR 21 HH TYR 21 11.647 -5.074 6.183 165 H ASP 22 HN ASP 22 16.167 -8.609 4.589 166 HA ASP 22 HA ASP 22 16.233 -10.147 2.200 167 HB2 ASP 22 HB2 ASP 22 14.014 -9.786 4.200 168 HB3 ASP 22 HB1 ASP 22 13.871 -10.817 2.797 169 H GLN 23 HN GLN 23 16.005 -9.378 0.400 170 HA GLN 23 HA GLN 23 14.841 -6.992 -0.393 171 HB2 GLN 23 HB2 GLN 23 15.445 -9.506 -1.778 172 HB3 GLN 23 HB1 GLN 23 14.882 -8.080 -2.642 173 HG2 GLN 23 HG2 GLN 23 17.436 -8.523 -1.076 174 HG3 GLN 23 HG1 GLN 23 17.272 -8.168 -2.793 175 HE21 GLN 23 HE21 GLN 23 17.300 -6.862 0.423 176 HE22 GLN 23 HE22 GLN 23 17.393 -5.213 -0.029 177 H SER 24 HN SER 24 13.533 -10.191 -0.232 178 HA SER 24 HA SER 24 11.206 -9.573 -1.651 179 HB2 SER 24 HB2 SER 24 11.944 -11.902 -1.415 180 HB3 SER 24 HB1 SER 24 11.714 -11.817 0.328 181 HG SER 24 HG SER 24 9.652 -11.446 -1.572 182 H LYS 25 HN LYS 25 12.199 -9.236 1.633 183 HA LYS 25 HA LYS 25 9.578 -8.756 2.692 184 HB2 LYS 25 HB2 LYS 25 12.323 -8.390 3.821 185 HB3 LYS 25 HB1 LYS 25 10.853 -8.127 4.768 186 HG2 LYS 25 HG2 LYS 25 11.811 -10.717 3.545 187 HG3 LYS 25 HG1 LYS 25 11.843 -10.293 5.254 188 HD2 LYS 25 HD2 LYS 25 9.366 -10.634 3.560 189 HD3 LYS 25 HD1 LYS 25 10.002 -11.807 4.702 190 HE2 LYS 25 HE2 LYS 25 9.722 -10.131 6.513 191 HE3 LYS 25 HE1 LYS 25 8.971 -9.050 5.342 192 HZ1 LYS 25 HZ1 LYS 25 7.311 -10.240 6.581 193 HZ2 LYS 25 HZ2 LYS 25 7.962 -11.724 6.139 194 HZ3 LYS 25 HZ3 LYS 25 7.246 -10.748 4.980 195 H PHE 26 HN PHE 26 12.205 -6.915 1.380 196 HA PHE 26 HA PHE 26 11.512 -4.345 2.200 197 HB2 PHE 26 HB2 PHE 26 13.614 -4.776 1.011 198 HB3 PHE 26 HB1 PHE 26 12.732 -5.270 -0.424 199 HD1 PHE 26 HD1 PHE 26 13.424 -2.357 1.752 200 HD2 PHE 26 HD2 PHE 26 12.130 -3.723 -2.042 201 HE1 PHE 26 HE1 PHE 26 13.463 -0.037 0.907 202 HE2 PHE 26 HE2 PHE 26 12.161 -1.418 -2.901 203 HZ PHE 26 HZ PHE 26 12.815 0.434 -1.428 204 H GLU 27 HN GLU 27 10.493 -6.252 -0.523 205 HA GLU 27 HA GLU 27 8.713 -4.446 -1.749 206 HB2 GLU 27 HB2 GLU 27 8.784 -7.460 -1.830 207 HB3 GLU 27 HB1 GLU 27 7.837 -6.447 -2.911 208 HG2 GLU 27 HG2 GLU 27 10.836 -6.461 -2.688 209 HG3 GLU 27 HG1 GLU 27 9.884 -7.235 -3.957 210 H GLU 28 HN GLU 28 8.307 -6.958 0.652 211 HA GLU 28 HA GLU 28 5.431 -6.722 1.044 212 HB2 GLU 28 HB2 GLU 28 7.602 -7.577 2.954 213 HB3 GLU 28 HB1 GLU 28 5.876 -7.783 3.187 214 HG2 GLU 28 HG2 GLU 28 7.408 -9.059 0.946 215 HG3 GLU 28 HG1 GLU 28 7.153 -9.823 2.516 216 H HIS 29 HN HIS 29 8.111 -5.094 2.378 217 HA HIS 29 HA HIS 29 6.409 -3.915 4.101 218 HB2 HIS 29 HB2 HIS 29 8.693 -4.072 4.806 219 HB3 HIS 29 HB1 HIS 29 9.268 -3.268 3.365 220 HD1 HIS 29 HD1 HIS 29 10.635 -1.952 5.301 221 HD2 HIS 29 HD2 HIS 29 6.601 -1.178 5.041 222 HE1 HIS 29 HE1 HIS 29 10.283 0.339 6.387 223 H VAL 30 HN VAL 30 7.745 -2.992 1.000 224 HA VAL 30 HA VAL 30 6.522 -0.356 0.830 225 HB VAL 30 HB VAL 30 7.355 -2.250 -1.423 226 HG11 VAL 30 HG11 VAL 30 7.333 -0.347 -2.883 227 HG12 VAL 30 HG12 VAL 30 7.062 0.737 -1.546 228 HG13 VAL 30 HG13 VAL 30 5.766 -0.359 -2.054 229 HG21 VAL 30 HG21 VAL 30 9.404 -0.884 -1.545 230 HG22 VAL 30 HG22 VAL 30 9.241 -1.731 -0.009 231 HG23 VAL 30 HG23 VAL 30 8.877 -0.009 -0.108 232 H GLU 31 HN GLU 31 5.328 -3.541 -0.094 233 HA GLU 31 HA GLU 31 2.963 -2.324 -1.108 234 HB2 GLU 31 HB2 GLU 31 2.146 -4.539 -1.562 235 HB3 GLU 31 HB1 GLU 31 3.891 -4.538 -1.795 236 HG2 GLU 31 HG2 GLU 31 4.306 -5.648 0.108 237 HG3 GLU 31 HG1 GLU 31 2.641 -5.513 0.697 238 H SER 32 HN SER 32 3.996 -3.061 2.027 239 HA SER 32 HA SER 32 1.401 -3.290 3.188 240 HB2 SER 32 HB2 SER 32 3.525 -4.198 4.217 241 HB3 SER 32 HB1 SER 32 4.023 -2.538 4.527 242 HG SER 32 HG SER 32 2.833 -2.533 6.202 243 H HIS 33 HN HIS 33 3.394 -0.765 2.069 244 HA HIS 33 HA HIS 33 2.095 1.385 3.514 245 HB2 HIS 33 HB2 HIS 33 4.194 1.211 1.411 246 HB3 HIS 33 HB1 HIS 33 3.327 2.722 1.650 247 HD1 HIS 33 HD1 HIS 33 4.374 4.225 3.307 248 HD2 HIS 33 HD2 HIS 33 5.323 0.270 3.983 249 HE1 HIS 33 HE1 HIS 33 5.920 4.252 5.243 250 H TRP 34 HN TRP 34 1.656 -0.347 0.512 251 HA TRP 34 HA TRP 34 0.025 1.490 -0.727 252 HB2 TRP 34 HB2 TRP 34 0.631 -1.440 -0.810 253 HB3 TRP 34 HB1 TRP 34 -0.450 -0.602 -1.981 254 HD1 TRP 34 HD1 TRP 34 2.749 1.241 -1.146 255 HE1 TRP 34 HE1 TRP 34 4.290 0.789 -2.975 256 HE3 TRP 34 HE3 TRP 34 0.271 -2.396 -3.116 257 HZ2 TRP 34 HZ2 TRP 34 4.543 -1.055 -5.198 258 HZ3 TRP 34 HZ3 TRP 34 1.147 -3.651 -5.200 259 HH2 TRP 34 HH2 TRP 34 3.273 -2.946 -6.171 260 H LYS 35 HN LYS 35 -1.915 1.831 -0.329 261 HA LYS 35 HA LYS 35 -3.242 0.795 2.004 262 HB2 LYS 35 HB2 LYS 35 -4.546 2.570 -0.059 263 HB3 LYS 35 HB1 LYS 35 -4.970 2.381 1.624 264 HG2 LYS 35 HG2 LYS 35 -2.497 3.755 0.578 265 HG3 LYS 35 HG1 LYS 35 -3.938 4.543 1.207 266 HD2 LYS 35 HD2 LYS 35 -3.515 3.407 3.392 267 HD3 LYS 35 HD1 LYS 35 -2.013 2.786 2.716 268 HE2 LYS 35 HE2 LYS 35 -1.561 4.783 4.027 269 HE3 LYS 35 HE1 LYS 35 -1.226 5.070 2.323 270 HZ1 LYS 35 HZ1 LYS 35 -2.419 6.922 3.386 271 HZ2 LYS 35 HZ2 LYS 35 -3.706 5.912 3.729 272 HZ3 LYS 35 HZ3 LYS 35 -3.319 6.269 2.125 273 H VAL 36 HN VAL 36 -3.770 -0.938 2.085 274 HA VAL 36 HA VAL 36 -5.106 -2.268 -0.102 275 HB VAL 36 HB VAL 36 -3.240 -3.343 0.948 276 HG11 VAL 36 HG11 VAL 36 -4.811 -3.344 3.494 277 HG12 VAL 36 HG12 VAL 36 -3.311 -2.485 3.129 278 HG13 VAL 36 HG13 VAL 36 -3.312 -4.252 3.223 279 HG21 VAL 36 HG21 VAL 36 -4.236 -5.577 1.405 280 HG22 VAL 36 HG22 VAL 36 -4.927 -4.806 -0.024 281 HG23 VAL 36 HG23 VAL 36 -5.820 -4.815 1.499 282 H CYS 37 HN CYS 37 -7.197 -2.535 -0.228 283 HA CYS 37 HA CYS 37 -8.890 -1.421 1.708 284 HB2 CYS 37 HB2 CYS 37 -9.401 -1.112 -0.570 285 HB3 CYS 37 HB1 CYS 37 -9.242 -2.832 -0.905 286 HA PRO 38 HA PRO 38 -9.287 -5.013 4.168 287 HB2 PRO 38 HB2 PRO 38 -11.802 -4.510 5.206 288 HB3 PRO 38 HB1 PRO 38 -10.305 -3.794 5.811 289 HG2 PRO 38 HG2 PRO 38 -12.353 -2.654 3.967 290 HG3 PRO 38 HG1 PRO 38 -11.452 -1.859 5.270 291 HD2 PRO 38 HD2 PRO 38 -10.822 -1.565 2.668 292 HD3 PRO 38 HD1 PRO 38 -9.579 -1.550 3.942 293 H MET 39 HN MET 39 -12.024 -4.185 1.998 294 HA MET 39 HA MET 39 -12.837 -6.956 2.108 295 HB2 MET 39 HB2 MET 39 -14.486 -5.124 2.492 296 HB3 MET 39 HB1 MET 39 -14.179 -4.653 0.810 297 HG2 MET 39 HG2 MET 39 -15.073 -6.570 -0.047 298 HG3 MET 39 HG1 MET 39 -14.967 -7.409 1.498 299 HE1 MET 39 HE1 MET 39 -16.269 -3.853 0.877 300 HE2 MET 39 HE2 MET 39 -18.022 -4.011 0.778 301 HE3 MET 39 HE3 MET 39 -17.005 -4.604 -0.535 302 H CYS 40 HN CYS 40 -11.115 -4.774 0.026 303 HA CYS 40 HA CYS 40 -11.864 -6.401 -2.289 304 HB2 CYS 40 HB2 CYS 40 -10.644 -3.799 -1.811 305 HB3 CYS 40 HB1 CYS 40 -10.470 -4.479 -3.419 306 H SER 41 HN SER 41 -9.217 -5.683 -0.122 307 HA SER 41 HA SER 41 -7.147 -6.283 0.077 308 HB2 SER 41 HB2 SER 41 -7.910 -8.540 -1.788 309 HB3 SER 41 HB1 SER 41 -6.411 -8.419 -0.856 310 HG SER 41 HG SER 41 -8.905 -9.166 -0.015 311 H GLU 42 HN GLU 42 -8.023 -4.451 -2.136 312 HA GLU 42 HA GLU 42 -5.910 -4.741 -3.963 313 HB2 GLU 42 HB2 GLU 42 -8.361 -3.023 -3.795 314 HB3 GLU 42 HB1 GLU 42 -7.077 -2.783 -4.969 315 HG2 GLU 42 HG2 GLU 42 -7.405 -5.042 -5.714 316 HG3 GLU 42 HG1 GLU 42 -8.817 -5.201 -4.665 317 H GLN 43 HN GLN 43 -4.629 -3.558 -3.991 318 HA GLN 43 HA GLN 43 -3.909 -1.803 -1.674 319 HB2 GLN 43 HB2 GLN 43 -2.328 -3.205 -3.772 320 HB3 GLN 43 HB1 GLN 43 -1.607 -2.293 -2.413 321 HG2 GLN 43 HG2 GLN 43 -2.738 -3.968 -0.912 322 HG3 GLN 43 HG1 GLN 43 -3.258 -4.807 -2.346 323 HE21 GLN 43 HE21 GLN 43 -0.484 -4.040 -0.371 324 HE22 GLN 43 HE22 GLN 43 0.528 -5.236 -1.075 325 H PHE 44 HN PHE 44 -3.917 0.182 -2.036 326 HA PHE 44 HA PHE 44 -3.753 1.373 -4.705 327 HB2 PHE 44 HB2 PHE 44 -4.751 2.268 -2.020 328 HB3 PHE 44 HB1 PHE 44 -4.515 3.415 -3.326 329 HD1 PHE 44 HD2 PHE 44 -6.387 0.409 -2.242 330 HD2 PHE 44 HD1 PHE 44 -6.174 3.605 -5.044 331 HE1 PHE 44 HE2 PHE 44 -8.628 -0.168 -3.069 332 HE2 PHE 44 HE1 PHE 44 -8.405 3.029 -5.875 333 HZ PHE 44 HZ PHE 44 -9.639 1.145 -4.890 334 HA PRO 45 HA PRO 45 0.292 2.837 -3.795 335 HB2 PRO 45 HB2 PRO 45 0.211 5.523 -4.415 336 HB3 PRO 45 HB1 PRO 45 0.380 4.226 -5.605 337 HG2 PRO 45 HG2 PRO 45 -2.047 5.756 -4.784 338 HG3 PRO 45 HG1 PRO 45 -1.560 5.218 -6.400 339 HD2 PRO 45 HD2 PRO 45 -3.438 3.961 -4.958 340 HD3 PRO 45 HD1 PRO 45 -2.361 3.079 -6.066 341 HA PRO 46 HA PRO 46 0.620 4.383 0.373 342 HB2 PRO 46 HB2 PRO 46 2.786 6.082 0.061 343 HB3 PRO 46 HB1 PRO 46 2.951 4.356 0.317 344 HG2 PRO 46 HG2 PRO 46 2.988 5.924 -2.225 345 HG3 PRO 46 HG1 PRO 46 3.995 4.544 -1.750 346 HD2 PRO 46 HD2 PRO 46 2.028 4.243 -3.456 347 HD3 PRO 46 HD1 PRO 46 2.288 3.011 -2.206 348 H ASP 47 HN ASP 47 0.675 6.621 -2.258 349 HA ASP 47 HA ASP 47 0.178 8.946 -0.663 350 HB2 ASP 47 HB2 ASP 47 0.126 10.086 -2.899 351 HB3 ASP 47 HB1 ASP 47 1.643 9.296 -2.481 352 H TYR 48 HN TYR 48 -1.853 6.548 -1.489 353 HA TYR 48 HA TYR 48 -4.020 8.141 -2.361 354 HB2 TYR 48 HB2 TYR 48 -3.443 5.415 -2.442 355 HB3 TYR 48 HB1 TYR 48 -4.638 5.587 -1.148 356 HD1 TYR 48 HD1 TYR 48 -4.018 6.429 -4.691 357 HD2 TYR 48 HD2 TYR 48 -6.923 5.829 -1.649 358 HE1 TYR 48 HE1 TYR 48 -5.780 6.595 -6.367 359 HE2 TYR 48 HE2 TYR 48 -8.710 5.997 -3.323 360 HH TYR 48 HH TYR 48 -8.031 5.923 -6.704 361 H ASP 49 HN ASP 49 -5.004 9.254 -1.099 362 HA ASP 49 HA ASP 49 -4.387 9.767 1.553 363 HB2 ASP 49 HB2 ASP 49 -5.447 11.314 -0.275 364 HB3 ASP 49 HB1 ASP 49 -6.901 10.517 0.187 365 H GLN 50 HN GLN 50 -5.333 9.193 3.269 366 HA GLN 50 HA GLN 50 -6.813 6.851 3.450 367 HB2 GLN 50 HB2 GLN 50 -7.096 7.295 5.844 368 HB3 GLN 50 HB1 GLN 50 -5.449 7.497 5.258 369 HG2 GLN 50 HG2 GLN 50 -5.598 9.270 6.686 370 HG3 GLN 50 HG1 GLN 50 -6.105 10.012 5.177 371 HE21 GLN 50 HE21 GLN 50 -8.162 7.903 7.149 372 HE22 GLN 50 HE22 GLN 50 -9.235 9.128 7.647 373 H GLN 51 HN GLN 51 -7.952 10.085 3.433 374 HA GLN 51 HA GLN 51 -10.687 9.366 3.906 375 HB2 GLN 51 HB2 GLN 51 -9.486 11.857 2.731 376 HB3 GLN 51 HB1 GLN 51 -11.226 11.636 2.856 377 HG2 GLN 51 HG2 GLN 51 -9.279 11.648 5.150 378 HG3 GLN 51 HG1 GLN 51 -10.331 12.980 4.692 379 HE21 GLN 51 HE21 GLN 51 -10.174 9.843 6.099 380 HE22 GLN 51 HE22 GLN 51 -11.748 9.837 6.819 381 H VAL 52 HN VAL 52 -8.748 9.800 0.964 382 HA VAL 52 HA VAL 52 -10.919 9.477 -0.831 383 HB VAL 52 HB VAL 52 -7.914 9.067 -1.172 384 HG11 VAL 52 HG11 VAL 52 -8.247 9.337 -3.495 385 HG12 VAL 52 HG12 VAL 52 -10.010 9.417 -3.303 386 HG13 VAL 52 HG13 VAL 52 -9.127 7.914 -2.942 387 HG21 VAL 52 HG21 VAL 52 -8.568 11.343 -0.544 388 HG22 VAL 52 HG22 VAL 52 -9.641 11.376 -1.956 389 HG23 VAL 52 HG23 VAL 52 -7.898 11.215 -2.176 390 H PHE 53 HN PHE 53 -8.653 7.377 0.744 391 HA PHE 53 HA PHE 53 -9.323 4.939 -0.484 392 HB2 PHE 53 HB2 PHE 53 -7.245 5.208 0.712 393 HB3 PHE 53 HB1 PHE 53 -8.099 5.610 2.191 394 HD1 PHE 53 HD1 PHE 53 -7.519 2.862 -0.226 395 HD2 PHE 53 HD2 PHE 53 -8.654 3.977 3.712 396 HE1 PHE 53 HE1 PHE 53 -7.419 0.508 0.473 397 HE2 PHE 53 HE2 PHE 53 -8.561 1.629 4.417 398 HZ PHE 53 HZ PHE 53 -7.941 -0.099 2.804 399 H GLU 54 HN GLU 54 -10.455 6.499 2.542 400 HA GLU 54 HA GLU 54 -12.229 4.447 3.251 401 HB2 GLU 54 HB2 GLU 54 -12.433 7.392 3.862 402 HB3 GLU 54 HB1 GLU 54 -13.452 6.156 4.585 403 HG2 GLU 54 HG2 GLU 54 -10.483 6.493 4.911 404 HG3 GLU 54 HG1 GLU 54 -11.730 6.801 6.110 405 H ARG 55 HN ARG 55 -12.665 7.288 1.202 406 HA ARG 55 HA ARG 55 -15.392 6.998 0.623 407 HB2 ARG 55 HB2 ARG 55 -13.106 8.250 -0.775 408 HB3 ARG 55 HB1 ARG 55 -14.497 7.874 -1.768 409 HG2 ARG 55 HG2 ARG 55 -14.521 10.189 -0.953 410 HG3 ARG 55 HG1 ARG 55 -15.917 9.273 -0.392 411 HD2 ARG 55 HD2 ARG 55 -14.902 9.004 1.764 412 HD3 ARG 55 HD1 ARG 55 -13.424 9.796 1.211 413 HE ARG 55 HE ARG 55 -15.662 11.455 0.815 414 HH11 ARG 55 HH11 ARG 55 -13.788 10.157 3.458 415 HH12 ARG 55 HH12 ARG 55 -13.795 11.570 4.414 416 HH21 ARG 55 HH21 ARG 55 -15.762 13.428 2.120 417 HH22 ARG 55 HH22 ARG 55 -14.991 13.461 3.637 418 H HIS 56 HN HIS 56 -12.597 5.505 -0.926 419 HA HIS 56 HA HIS 56 -13.968 3.999 -2.819 420 HB2 HIS 56 HB2 HIS 56 -11.621 3.967 -3.072 421 HB3 HIS 56 HB1 HIS 56 -11.354 3.543 -1.387 422 HD1 HIS 56 HD1 HIS 56 -12.764 1.867 -4.548 423 HD2 HIS 56 HD2 HIS 56 -10.823 0.952 -0.997 424 HE1 HIS 56 HE1 HIS 56 -12.346 -0.646 -4.583 425 H VAL 57 HN VAL 57 -13.157 3.170 0.525 426 HA VAL 57 HA VAL 57 -14.114 0.518 0.350 427 HB VAL 57 HB VAL 57 -13.753 2.236 2.833 428 HG11 VAL 57 HG11 VAL 57 -13.584 0.107 4.038 429 HG12 VAL 57 HG12 VAL 57 -13.914 -0.762 2.540 430 HG13 VAL 57 HG13 VAL 57 -15.154 0.270 3.249 431 HG21 VAL 57 HG21 VAL 57 -11.577 1.106 3.037 432 HG22 VAL 57 HG22 VAL 57 -11.693 2.047 1.551 433 HG23 VAL 57 HG23 VAL 57 -11.874 0.294 1.497 434 H GLN 58 HN GLN 58 -15.470 3.521 1.403 435 HA GLN 58 HA GLN 58 -17.856 2.451 2.352 436 HB2 GLN 58 HB2 GLN 58 -16.900 5.163 1.712 437 HB3 GLN 58 HB1 GLN 58 -18.601 4.939 2.179 438 HG2 GLN 58 HG2 GLN 58 -16.205 4.056 3.790 439 HG3 GLN 58 HG1 GLN 58 -17.095 5.556 4.059 440 HE21 GLN 58 HE21 GLN 58 -17.261 2.041 4.259 441 HE22 GLN 58 HE22 GLN 58 -18.632 2.016 5.307 442 H THR 59 HN THR 59 -16.873 3.134 -0.851 443 HA THR 59 HA THR 59 -19.536 3.499 -1.776 444 HB THR 59 HB THR 59 -18.604 3.254 -4.117 445 HG1 THR 59 HG1 THR 59 -16.178 2.935 -2.697 446 HG21 THR 59 HG21 THR 59 -17.517 5.451 -4.141 447 HG22 THR 59 HG22 THR 59 -17.373 5.384 -2.386 448 HG23 THR 59 HG23 THR 59 -18.968 5.444 -3.136 449 H HIS 60 HN HIS 60 -17.195 0.795 -1.828 450 HA HIS 60 HA HIS 60 -19.218 -0.746 -3.047 451 HB2 HIS 60 HB2 HIS 60 -17.838 -2.684 -2.245 452 HB3 HIS 60 HB1 HIS 60 -17.263 -1.887 -3.708 453 HD1 HIS 60 HD1 HIS 60 -15.721 -3.799 -1.689 454 HD2 HIS 60 HD2 HIS 60 -15.484 0.325 -1.779 455 HE1 HIS 60 HE1 HIS 60 -13.467 -3.170 -0.733 456 H PHE 61 HN PHE 61 -18.860 0.178 0.049 457 HA PHE 61 HA PHE 61 -20.636 -1.919 1.014 458 HB2 PHE 61 HB2 PHE 61 -19.467 0.515 2.334 459 HB3 PHE 61 HB1 PHE 61 -20.775 -0.384 3.075 460 HD1 PHE 61 HD2 PHE 61 -17.421 -0.777 1.703 461 HD2 PHE 61 HD1 PHE 61 -20.294 -2.159 4.446 462 HE1 PHE 61 HE2 PHE 61 -15.715 -2.260 2.704 463 HE2 PHE 61 HE1 PHE 61 -18.638 -3.666 5.475 464 HZ PHE 61 HZ PHE 61 -16.333 -3.718 4.600 465 H ASP 62 HN ASP 62 -20.907 1.147 -0.564 466 HA ASP 62 HA ASP 62 -23.666 1.409 0.535 467 HB2 ASP 62 HB2 ASP 62 -21.778 3.331 0.776 468 HB3 ASP 62 HB1 ASP 62 -22.409 3.447 -0.896 469 H GLN 63 HN GLN 63 -21.976 0.842 -2.294 470 HA GLN 63 HA GLN 63 -23.731 2.334 -3.892 471 HB2 GLN 63 HB2 GLN 63 -22.600 1.371 -5.929 472 HB3 GLN 63 HB1 GLN 63 -21.555 2.215 -4.804 473 HG2 GLN 63 HG2 GLN 63 -20.771 0.083 -3.933 474 HG3 GLN 63 HG1 GLN 63 -21.848 -0.771 -5.039 475 HE21 GLN 63 HE21 GLN 63 -21.397 -0.806 -7.157 476 HE22 GLN 63 HE22 GLN 63 -19.864 -0.424 -7.838 477 H ASN 64 HN ASN 64 -25.300 1.041 -2.673 478 HA ASN 64 HA ASN 64 -27.284 -0.238 -2.724 479 HB2 ASN 64 HB2 ASN 64 -27.661 1.077 -4.803 480 HB3 ASN 64 HB1 ASN 64 -26.793 -0.125 -5.734 481 HD21 ASN 64 HD21 ASN 64 -29.745 0.524 -3.948 482 HD22 ASN 64 HD22 ASN 64 -30.704 -0.680 -4.719 483 H VAL 65 HN VAL 65 -24.778 -1.551 -2.423 484 HA VAL 65 HA VAL 65 -24.960 -4.150 -3.658 485 HB VAL 65 HB VAL 65 -23.038 -4.761 -2.179 486 HG11 VAL 65 HG11 VAL 65 -22.738 -2.117 -3.599 487 HG12 VAL 65 HG12 VAL 65 -22.596 -3.708 -4.342 488 HG13 VAL 65 HG13 VAL 65 -21.413 -3.187 -3.140 489 HG21 VAL 65 HG21 VAL 65 -23.403 -1.956 -1.130 490 HG22 VAL 65 HG22 VAL 65 -22.028 -2.986 -0.780 491 HG23 VAL 65 HG23 VAL 65 -23.638 -3.449 -0.223 492 H LEU 66 HN LEU 66 -26.557 -2.733 -1.386 493 HA LEU 66 HA LEU 66 -27.276 -5.212 -0.092 494 HB2 LEU 66 HB2 LEU 66 -27.890 -3.856 1.957 495 HB3 LEU 66 HB1 LEU 66 -26.191 -4.069 1.643 496 HG LEU 66 HG LEU 66 -26.396 -1.670 0.584 497 HD11 LEU 66 HD11 LEU 66 -27.998 -0.241 1.721 498 HD12 LEU 66 HD12 LEU 66 -28.717 -1.654 2.496 499 HD13 LEU 66 HD13 LEU 66 -28.810 -1.468 0.746 500 HD21 LEU 66 HD21 LEU 66 -25.828 -0.727 2.770 501 HD22 LEU 66 HD22 LEU 66 -25.019 -2.262 2.447 502 HD23 LEU 66 HD23 LEU 66 -26.407 -2.215 3.533 503 H ASN 67 HN ASN 67 -29.195 -5.810 -0.670 504 HA ASN 67 HA ASN 67 -30.973 -3.818 -1.790 505 HB2 ASN 67 HB2 ASN 67 -30.568 -5.873 -3.096 506 HB3 ASN 67 HB1 ASN 67 -31.179 -6.844 -1.767 507 HD21 ASN 67 HD21 ASN 67 -32.010 -4.639 -4.312 508 HD22 ASN 67 HD22 ASN 67 -33.710 -4.961 -4.305 509 H PHE 68 HN PHE 68 -31.813 -2.767 -0.166 510 HA PHE 68 HA PHE 68 -33.063 -4.263 2.028 511 HB2 PHE 68 HB2 PHE 68 -31.381 -2.635 2.718 512 HB3 PHE 68 HB1 PHE 68 -32.208 -1.366 1.837 513 HD1 PHE 68 HD2 PHE 68 -32.506 -3.674 4.712 514 HD2 PHE 68 HD1 PHE 68 -33.938 -0.130 2.839 515 HE1 PHE 68 HE2 PHE 68 -33.804 -3.128 6.729 516 HE2 PHE 68 HE1 PHE 68 -35.232 0.416 4.849 517 HZ PHE 68 HZ PHE 68 -35.167 -1.089 6.799 518 H ASP 69 HN ASP 69 -33.642 -1.936 -0.473 519 HA ASP 69 HA ASP 69 -36.369 -1.424 0.388 520 HB2 ASP 69 HB2 ASP 69 -34.950 -0.389 -2.085 521 HB3 ASP 69 HB1 ASP 69 -36.485 0.171 -1.451 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 31.265 3.452 -1.610 2 H2 GLY 1 HT2 GLY 1 30.939 1.812 -1.491 3 H3 GLY 1 HT3 GLY 1 32.467 2.383 -1.091 4 HA2 GLY 1 HA1 GLY 1 31.242 1.870 0.881 5 HA3 GLY 1 HA2 GLY 1 31.488 3.607 0.761 6 HA PRO 2 HA PRO 2 27.117 3.326 1.762 7 HB2 PRO 2 HB2 PRO 2 26.737 5.979 2.241 8 HB3 PRO 2 HB1 PRO 2 27.463 4.872 3.415 9 HG2 PRO 2 HG2 PRO 2 28.782 6.796 1.548 10 HG3 PRO 2 HG1 PRO 2 29.170 6.435 3.239 11 HD2 PRO 2 HD2 PRO 2 30.577 5.422 1.172 12 HD3 PRO 2 HD1 PRO 2 30.351 4.537 2.692 13 H HIS 3 HN HIS 3 26.499 2.768 -0.271 14 HA HIS 3 HA HIS 3 24.950 4.705 -1.803 15 HB2 HIS 3 HB2 HIS 3 27.124 3.166 -3.277 16 HB3 HIS 3 HB1 HIS 3 25.959 4.244 -4.005 17 HD1 HIS 3 HD1 HIS 3 26.601 6.822 -3.989 18 HD2 HIS 3 HD2 HIS 3 29.317 4.317 -2.081 19 HE1 HIS 3 HE1 HIS 3 28.675 8.188 -3.606 20 H MET 4 HN MET 4 26.538 1.589 -1.900 21 HA MET 4 HA MET 4 24.576 0.229 -3.438 22 HB2 MET 4 HB2 MET 4 26.755 -0.859 -1.676 23 HB3 MET 4 HB1 MET 4 25.841 -1.777 -2.872 24 HG2 MET 4 HG2 MET 4 26.764 -0.501 -4.666 25 HG3 MET 4 HG1 MET 4 27.514 0.628 -3.537 26 HE1 MET 4 HE1 MET 4 27.330 -3.171 -3.013 27 HE2 MET 4 HE2 MET 4 28.752 -3.782 -3.880 28 HE3 MET 4 HE3 MET 4 27.400 -3.045 -4.767 29 H ASP 5 HN ASP 5 25.073 0.742 -0.301 30 HA ASP 5 HA ASP 5 23.175 -1.143 0.841 31 HB2 ASP 5 HB2 ASP 5 23.731 -0.007 2.978 32 HB3 ASP 5 HB1 ASP 5 25.129 -0.603 2.069 33 H VAL 6 HN VAL 6 22.642 1.453 -0.910 34 HA VAL 6 HA VAL 6 20.274 2.327 0.619 35 HB VAL 6 HB VAL 6 21.763 3.989 -1.428 36 HG11 VAL 6 HG11 VAL 6 19.898 4.806 0.795 37 HG12 VAL 6 HG12 VAL 6 19.490 4.676 -0.914 38 HG13 VAL 6 HG13 VAL 6 20.653 5.889 -0.378 39 HG21 VAL 6 HG21 VAL 6 23.355 3.457 0.351 40 HG22 VAL 6 HG22 VAL 6 22.246 4.119 1.549 41 HG23 VAL 6 HG23 VAL 6 22.960 5.178 0.329 42 H HIS 7 HN HIS 7 21.221 0.306 -1.545 43 HA HIS 7 HA HIS 7 19.632 1.311 -3.533 44 HB2 HIS 7 HB2 HIS 7 21.208 -1.247 -3.500 45 HB3 HIS 7 HB1 HIS 7 20.121 -0.893 -4.831 46 HD1 HIS 7 HD1 HIS 7 23.338 -1.138 -4.938 47 HD2 HIS 7 HD2 HIS 7 21.067 2.341 -5.055 48 HE1 HIS 7 HE1 HIS 7 24.749 0.577 -6.120 49 H LYS 8 HN LYS 8 18.919 -0.089 -0.876 50 HA LYS 8 HA LYS 8 16.559 -1.541 -1.829 51 HB2 LYS 8 HB2 LYS 8 18.291 -2.050 0.554 52 HB3 LYS 8 HB1 LYS 8 16.570 -2.343 0.710 53 HG2 LYS 8 HG2 LYS 8 17.686 -4.395 0.201 54 HG3 LYS 8 HG1 LYS 8 16.692 -3.924 -1.167 55 HD2 LYS 8 HD2 LYS 8 18.700 -3.097 -2.318 56 HD3 LYS 8 HD1 LYS 8 19.681 -3.584 -0.934 57 HE2 LYS 8 HE2 LYS 8 18.955 -5.897 -1.223 58 HE3 LYS 8 HE1 LYS 8 17.971 -5.419 -2.599 59 HZ1 LYS 8 HZ1 LYS 8 20.044 -4.728 -3.709 60 HZ2 LYS 8 HZ2 LYS 8 19.985 -6.365 -3.375 61 HZ3 LYS 8 HZ3 LYS 8 20.933 -5.352 -2.406 62 H LYS 9 HN LYS 9 15.386 0.300 -2.058 63 HA LYS 9 HA LYS 9 14.335 1.249 0.465 64 HB2 LYS 9 HB2 LYS 9 14.037 3.559 -0.605 65 HB3 LYS 9 HB1 LYS 9 15.617 3.175 0.090 66 HG2 LYS 9 HG2 LYS 9 16.003 4.369 -1.905 67 HG3 LYS 9 HG1 LYS 9 16.295 2.688 -2.333 68 HD2 LYS 9 HD2 LYS 9 14.140 2.544 -3.404 69 HD3 LYS 9 HD1 LYS 9 13.705 4.155 -2.835 70 HE2 LYS 9 HE2 LYS 9 15.503 5.122 -4.164 71 HE3 LYS 9 HE1 LYS 9 15.982 3.518 -4.711 72 HZ1 LYS 9 HZ1 LYS 9 13.347 4.783 -5.241 73 HZ2 LYS 9 HZ2 LYS 9 13.881 3.297 -5.863 74 HZ3 LYS 9 HZ3 LYS 9 14.625 4.729 -6.318 75 H CYS 10 HN CYS 10 12.335 1.571 0.662 76 HA CYS 10 HA CYS 10 10.407 0.463 -1.064 77 HB2 CYS 10 HB2 CYS 10 10.009 0.936 1.288 78 HB3 CYS 10 HB1 CYS 10 10.255 2.637 1.020 79 HA PRO 11 HA PRO 11 11.042 3.776 -3.963 80 HB2 PRO 11 HB2 PRO 11 9.407 2.887 -5.961 81 HB3 PRO 11 HB1 PRO 11 11.004 2.205 -5.630 82 HG2 PRO 11 HG2 PRO 11 8.310 1.155 -4.854 83 HG3 PRO 11 HG1 PRO 11 9.735 0.284 -5.432 84 HD2 PRO 11 HD2 PRO 11 8.990 0.446 -2.812 85 HD3 PRO 11 HD1 PRO 11 10.663 0.201 -3.359 86 H LEU 12 HN LEU 12 8.446 3.268 -2.142 87 HA LEU 12 HA LEU 12 6.721 5.228 -3.458 88 HB2 LEU 12 HB2 LEU 12 6.031 3.514 -1.097 89 HB3 LEU 12 HB1 LEU 12 4.938 4.360 -2.171 90 HG LEU 12 HG LEU 12 6.586 1.926 -2.775 91 HD11 LEU 12 HD11 LEU 12 4.721 1.362 -1.560 92 HD12 LEU 12 HD12 LEU 12 4.428 0.880 -3.236 93 HD13 LEU 12 HD13 LEU 12 3.653 2.324 -2.575 94 HD21 LEU 12 HD21 LEU 12 4.901 3.495 -4.758 95 HD22 LEU 12 HD22 LEU 12 5.573 1.893 -5.020 96 HD23 LEU 12 HD23 LEU 12 6.649 3.259 -4.770 97 H CYS 13 HN CYS 13 8.077 4.509 -0.190 98 HA CYS 13 HA CYS 13 7.553 7.335 0.476 99 HB2 CYS 13 HB2 CYS 13 7.590 6.740 2.796 100 HB3 CYS 13 HB1 CYS 13 6.569 5.582 1.936 101 H GLU 14 HN GLU 14 9.894 5.214 -0.353 102 HA GLU 14 HA GLU 14 12.017 4.925 -0.220 103 HB2 GLU 14 HB2 GLU 14 12.079 7.925 -0.378 104 HB3 GLU 14 HB1 GLU 14 13.513 6.913 -0.550 105 HG2 GLU 14 HG2 GLU 14 12.370 5.735 -2.426 106 HG3 GLU 14 HG1 GLU 14 11.068 6.910 -2.305 107 H LEU 15 HN LEU 15 11.540 4.015 1.734 108 HA LEU 15 HA LEU 15 13.060 5.179 3.924 109 HB2 LEU 15 HB2 LEU 15 10.712 4.357 4.352 110 HB3 LEU 15 HB1 LEU 15 11.217 2.762 3.863 111 HG LEU 15 HG LEU 15 12.516 4.102 6.234 112 HD11 LEU 15 HD11 LEU 15 10.106 4.210 6.579 113 HD12 LEU 15 HD12 LEU 15 10.867 3.033 7.650 114 HD13 LEU 15 HD13 LEU 15 9.977 2.483 6.224 115 HD21 LEU 15 HD21 LEU 15 13.526 2.034 5.373 116 HD22 LEU 15 HD22 LEU 15 11.970 1.215 5.528 117 HD23 LEU 15 HD23 LEU 15 12.810 1.791 6.966 118 H MET 16 HN MET 16 14.872 4.099 4.642 119 HA MET 16 HA MET 16 16.193 2.596 2.582 120 HB2 MET 16 HB2 MET 16 17.168 4.601 3.583 121 HB3 MET 16 HB1 MET 16 17.125 3.832 5.159 122 HG2 MET 16 HG2 MET 16 18.697 2.163 4.395 123 HG3 MET 16 HG1 MET 16 18.663 2.929 2.797 124 HE1 MET 16 HE1 MET 16 21.425 2.453 4.632 125 HE2 MET 16 HE2 MET 16 22.241 3.925 4.113 126 HE3 MET 16 HE3 MET 16 21.312 2.969 2.954 127 H PHE 17 HN PHE 17 16.516 0.460 2.698 128 HA PHE 17 HA PHE 17 16.201 -0.884 5.285 129 HB2 PHE 17 HB2 PHE 17 15.741 -1.914 2.475 130 HB3 PHE 17 HB1 PHE 17 15.668 -2.914 3.920 131 HD1 PHE 17 HD2 PHE 17 13.865 -2.503 5.580 132 HD2 PHE 17 HD1 PHE 17 13.955 -0.590 1.787 133 HE1 PHE 17 HE2 PHE 17 11.478 -1.955 5.803 134 HE2 PHE 17 HE1 PHE 17 11.583 -0.041 1.998 135 HZ PHE 17 HZ PHE 17 10.334 -0.723 4.012 136 HA PRO 18 HA PRO 18 20.444 -2.367 4.957 137 HB2 PRO 18 HB2 PRO 18 19.372 -5.093 5.483 138 HB3 PRO 18 HB1 PRO 18 20.608 -4.192 6.366 139 HG2 PRO 18 HG2 PRO 18 18.196 -4.508 7.411 140 HG3 PRO 18 HG1 PRO 18 19.048 -2.964 7.563 141 HD2 PRO 18 HD2 PRO 18 16.818 -3.717 5.715 142 HD3 PRO 18 HD1 PRO 18 17.079 -2.213 6.621 143 HA PRO 19 HA PRO 19 20.829 -3.937 0.781 144 HB2 PRO 19 HB2 PRO 19 23.273 -5.178 1.032 145 HB3 PRO 19 HB1 PRO 19 23.074 -3.449 0.732 146 HG2 PRO 19 HG2 PRO 19 23.644 -4.886 3.285 147 HG3 PRO 19 HG1 PRO 19 24.260 -3.326 2.714 148 HD2 PRO 19 HD2 PRO 19 22.323 -3.489 4.576 149 HD3 PRO 19 HD1 PRO 19 22.351 -2.190 3.372 150 H ASN 20 HN ASN 20 21.317 -6.125 3.461 151 HA ASN 20 HA ASN 20 20.735 -8.223 1.594 152 HB2 ASN 20 HB2 ASN 20 21.852 -8.381 4.381 153 HB3 ASN 20 HB1 ASN 20 21.371 -9.811 3.477 154 HD21 ASN 20 HD21 ASN 20 24.006 -8.907 4.443 155 HD22 ASN 20 HD22 ASN 20 25.014 -8.866 3.035 156 H TYR 21 HN TYR 21 18.699 -6.276 2.926 157 HA TYR 21 HA TYR 21 17.118 -7.820 4.561 158 HB2 TYR 21 HB2 TYR 21 17.129 -5.484 4.570 159 HB3 TYR 21 HB1 TYR 21 16.629 -5.350 2.877 160 HD1 TYR 21 HD1 TYR 21 15.745 -6.158 6.257 161 HD2 TYR 21 HD2 TYR 21 14.349 -5.581 2.379 162 HE1 TYR 21 HE1 TYR 21 13.408 -6.047 7.167 163 HE2 TYR 21 HE2 TYR 21 11.982 -5.462 3.196 164 HH TYR 21 HH TYR 21 11.243 -5.038 6.421 165 H ASP 22 HN ASP 22 15.248 -8.607 4.007 166 HA ASP 22 HA ASP 22 15.319 -10.360 1.745 167 HB2 ASP 22 HB2 ASP 22 14.219 -10.941 4.052 168 HB3 ASP 22 HB1 ASP 22 13.005 -9.872 3.437 169 H GLN 23 HN GLN 23 14.510 -10.157 0.027 170 HA GLN 23 HA GLN 23 13.333 -7.831 -0.995 171 HB2 GLN 23 HB2 GLN 23 13.787 -10.539 -2.044 172 HB3 GLN 23 HB1 GLN 23 12.886 -9.368 -2.996 173 HG2 GLN 23 HG2 GLN 23 14.885 -7.845 -2.763 174 HG3 GLN 23 HG1 GLN 23 15.729 -9.190 -2.005 175 HE21 GLN 23 HE21 GLN 23 14.349 -7.972 -4.941 176 HE22 GLN 23 HE22 GLN 23 15.111 -9.073 -6.009 177 H SER 24 HN SER 24 11.875 -10.922 -0.074 178 HA SER 24 HA SER 24 9.394 -10.078 -1.199 179 HB2 SER 24 HB2 SER 24 8.424 -12.167 -0.090 180 HB3 SER 24 HB1 SER 24 9.671 -12.434 -1.296 181 HG SER 24 HG SER 24 10.871 -12.218 1.100 182 H LYS 25 HN LYS 25 10.752 -10.129 1.995 183 HA LYS 25 HA LYS 25 8.469 -9.200 3.398 184 HB2 LYS 25 HB2 LYS 25 11.307 -9.475 3.819 185 HB3 LYS 25 HB1 LYS 25 10.709 -8.256 4.866 186 HG2 LYS 25 HG2 LYS 25 10.686 -10.188 6.175 187 HG3 LYS 25 HG1 LYS 25 9.032 -10.142 5.599 188 HD2 LYS 25 HD2 LYS 25 11.167 -11.761 4.204 189 HD3 LYS 25 HD1 LYS 25 10.278 -12.395 5.579 190 HE2 LYS 25 HE2 LYS 25 9.041 -11.440 2.997 191 HE3 LYS 25 HE1 LYS 25 9.386 -13.119 3.386 192 HZ1 LYS 25 HZ1 LYS 25 7.446 -11.324 4.761 193 HZ2 LYS 25 HZ2 LYS 25 7.868 -12.859 5.320 194 HZ3 LYS 25 HZ3 LYS 25 7.113 -12.688 3.832 195 H PHE 26 HN PHE 26 10.894 -7.631 1.524 196 HA PHE 26 HA PHE 26 10.424 -4.908 2.101 197 HB2 PHE 26 HB2 PHE 26 12.429 -5.601 1.005 198 HB3 PHE 26 HB1 PHE 26 11.536 -6.424 -0.241 199 HD1 PHE 26 HD2 PHE 26 11.925 -2.971 1.119 200 HD2 PHE 26 HD1 PHE 26 11.354 -5.457 -2.287 201 HE1 PHE 26 HE2 PHE 26 12.040 -1.004 -0.345 202 HE2 PHE 26 HE1 PHE 26 11.460 -3.508 -3.744 203 HZ PHE 26 HZ PHE 26 11.798 -1.271 -2.787 204 H GLU 27 HN GLU 27 9.114 -7.145 -0.198 205 HA GLU 27 HA GLU 27 7.522 -5.301 -1.640 206 HB2 GLU 27 HB2 GLU 27 7.210 -8.255 -1.302 207 HB3 GLU 27 HB1 GLU 27 6.324 -7.293 -2.475 208 HG2 GLU 27 HG2 GLU 27 8.466 -6.716 -3.537 209 HG3 GLU 27 HG1 GLU 27 9.286 -7.773 -2.383 210 H GLU 28 HN GLU 28 7.119 -7.139 1.246 211 HA GLU 28 HA GLU 28 4.266 -6.653 1.558 212 HB2 GLU 28 HB2 GLU 28 6.209 -7.160 3.766 213 HB3 GLU 28 HB1 GLU 28 4.496 -7.561 3.696 214 HG2 GLU 28 HG2 GLU 28 5.142 -9.164 1.819 215 HG3 GLU 28 HG1 GLU 28 6.774 -8.854 2.304 216 H HIS 29 HN HIS 29 7.086 -4.910 2.204 217 HA HIS 29 HA HIS 29 5.480 -3.185 3.654 218 HB2 HIS 29 HB2 HIS 29 7.761 -3.184 4.371 219 HB3 HIS 29 HB1 HIS 29 8.347 -2.948 2.742 220 HD1 HIS 29 HD1 HIS 29 7.567 -1.095 5.843 221 HD2 HIS 29 HD2 HIS 29 8.035 -0.289 1.836 222 HE1 HIS 29 HE1 HIS 29 8.189 1.370 5.713 223 H VAL 30 HN VAL 30 6.686 -3.393 0.395 224 HA VAL 30 HA VAL 30 5.636 -0.856 -0.577 225 HB VAL 30 HB VAL 30 6.110 -3.416 -2.138 226 HG11 VAL 30 HG11 VAL 30 4.772 -1.721 -3.331 227 HG12 VAL 30 HG12 VAL 30 6.359 -1.939 -4.074 228 HG13 VAL 30 HG13 VAL 30 6.055 -0.536 -3.055 229 HG21 VAL 30 HG21 VAL 30 8.151 -2.813 -0.992 230 HG22 VAL 30 HG22 VAL 30 8.024 -1.160 -1.583 231 HG23 VAL 30 HG23 VAL 30 8.319 -2.479 -2.717 232 H GLU 31 HN GLU 31 4.256 -4.121 -0.577 233 HA GLU 31 HA GLU 31 1.795 -3.168 -1.625 234 HB2 GLU 31 HB2 GLU 31 2.365 -5.770 -0.162 235 HB3 GLU 31 HB1 GLU 31 0.876 -5.410 -1.017 236 HG2 GLU 31 HG2 GLU 31 2.181 -5.226 -3.122 237 HG3 GLU 31 HG1 GLU 31 3.622 -5.698 -2.226 238 H SER 32 HN SER 32 3.169 -2.842 1.387 239 HA SER 32 HA SER 32 0.774 -2.810 2.980 240 HB2 SER 32 HB2 SER 32 3.001 -3.263 3.982 241 HB3 SER 32 HB1 SER 32 3.535 -1.658 3.507 242 HG SER 32 HG SER 32 1.286 -2.029 5.161 243 H HIS 33 HN HIS 33 2.898 -0.484 1.333 244 HA HIS 33 HA HIS 33 1.448 1.826 2.008 245 HB2 HIS 33 HB2 HIS 33 3.263 1.152 -0.242 246 HB3 HIS 33 HB1 HIS 33 2.444 2.711 -0.172 247 HD1 HIS 33 HD1 HIS 33 3.517 4.448 1.363 248 HD2 HIS 33 HD2 HIS 33 4.892 0.602 1.996 249 HE1 HIS 33 HE1 HIS 33 5.323 4.619 3.126 250 H TRP 34 HN TRP 34 0.901 -0.628 -0.516 251 HA TRP 34 HA TRP 34 -0.993 0.814 -1.829 252 HB2 TRP 34 HB2 TRP 34 -0.154 -2.043 -1.507 253 HB3 TRP 34 HB1 TRP 34 -1.396 -1.482 -2.680 254 HD1 TRP 34 HD1 TRP 34 1.777 0.576 -2.344 255 HE1 TRP 34 HE1 TRP 34 3.174 -0.012 -4.284 256 HE3 TRP 34 HE3 TRP 34 -0.783 -3.143 -3.768 257 HZ2 TRP 34 HZ2 TRP 34 3.240 -1.982 -6.386 258 HZ3 TRP 34 HZ3 TRP 34 -0.121 -4.580 -5.864 259 HH2 TRP 34 HH2 TRP 34 1.903 -3.936 -7.109 260 H LYS 35 HN LYS 35 -2.916 1.159 -1.149 261 HA LYS 35 HA LYS 35 -3.789 0.182 1.452 262 HB2 LYS 35 HB2 LYS 35 -5.291 2.183 -0.246 263 HB3 LYS 35 HB1 LYS 35 -5.381 1.958 1.488 264 HG2 LYS 35 HG2 LYS 35 -3.027 3.126 -0.016 265 HG3 LYS 35 HG1 LYS 35 -4.210 4.033 0.922 266 HD2 LYS 35 HD2 LYS 35 -3.472 2.946 2.956 267 HD3 LYS 35 HD1 LYS 35 -2.366 1.919 2.045 268 HE2 LYS 35 HE2 LYS 35 -1.115 3.729 3.085 269 HE3 LYS 35 HE1 LYS 35 -1.115 3.944 1.340 270 HZ1 LYS 35 HZ1 LYS 35 -2.830 5.668 1.595 271 HZ2 LYS 35 HZ2 LYS 35 -1.483 6.018 2.545 272 HZ3 LYS 35 HZ3 LYS 35 -2.847 5.381 3.271 273 H VAL 36 HN VAL 36 -4.465 -1.562 1.498 274 HA VAL 36 HA VAL 36 -6.174 -2.622 -0.591 275 HB VAL 36 HB VAL 36 -4.209 -3.828 0.102 276 HG11 VAL 36 HG11 VAL 36 -4.086 -5.039 2.230 277 HG12 VAL 36 HG12 VAL 36 -5.510 -4.132 2.772 278 HG13 VAL 36 HG13 VAL 36 -4.020 -3.279 2.360 279 HG21 VAL 36 HG21 VAL 36 -6.769 -5.315 0.710 280 HG22 VAL 36 HG22 VAL 36 -5.221 -6.080 0.347 281 HG23 VAL 36 HG23 VAL 36 -6.038 -5.111 -0.880 282 H CYS 37 HN CYS 37 -8.323 -2.696 -0.465 283 HA CYS 37 HA CYS 37 -9.895 -2.260 1.816 284 HB2 CYS 37 HB2 CYS 37 -10.394 -3.812 -0.670 285 HB3 CYS 37 HB1 CYS 37 -11.624 -3.226 0.427 286 HA PRO 38 HA PRO 38 -9.419 -6.576 3.191 287 HB2 PRO 38 HB2 PRO 38 -11.235 -6.549 5.216 288 HB3 PRO 38 HB1 PRO 38 -9.646 -5.790 5.369 289 HG2 PRO 38 HG2 PRO 38 -12.301 -4.539 4.809 290 HG3 PRO 38 HG1 PRO 38 -10.989 -3.970 5.853 291 HD2 PRO 38 HD2 PRO 38 -11.465 -3.028 3.320 292 HD3 PRO 38 HD1 PRO 38 -9.873 -2.983 4.099 293 H MET 39 HN MET 39 -12.160 -5.016 2.047 294 HA MET 39 HA MET 39 -13.683 -7.503 1.775 295 HB2 MET 39 HB2 MET 39 -14.428 -4.646 1.631 296 HB3 MET 39 HB1 MET 39 -15.535 -5.902 1.122 297 HG2 MET 39 HG2 MET 39 -15.672 -6.848 3.293 298 HG3 MET 39 HG1 MET 39 -14.290 -5.919 3.866 299 HE1 MET 39 HE1 MET 39 -14.390 -3.532 4.784 300 HE2 MET 39 HE2 MET 39 -15.710 -2.404 4.481 301 HE3 MET 39 HE3 MET 39 -14.723 -2.981 3.142 302 H CYS 40 HN CYS 40 -12.083 -5.043 -0.181 303 HA CYS 40 HA CYS 40 -13.347 -6.160 -2.601 304 HB2 CYS 40 HB2 CYS 40 -11.671 -3.815 -2.039 305 HB3 CYS 40 HB1 CYS 40 -11.871 -4.319 -3.728 306 H SER 41 HN SER 41 -10.416 -6.073 -0.785 307 HA SER 41 HA SER 41 -8.410 -6.967 -0.921 308 HB2 SER 41 HB2 SER 41 -9.701 -9.081 -1.459 309 HB3 SER 41 HB1 SER 41 -9.507 -8.710 -3.169 310 HG SER 41 HG SER 41 -7.498 -9.242 -3.097 311 H GLU 42 HN GLU 42 -9.264 -4.608 -2.541 312 HA GLU 42 HA GLU 42 -7.418 -4.672 -4.675 313 HB2 GLU 42 HB2 GLU 42 -9.815 -3.017 -3.994 314 HB3 GLU 42 HB1 GLU 42 -8.590 -2.479 -5.126 315 HG2 GLU 42 HG2 GLU 42 -8.992 -4.402 -6.493 316 HG3 GLU 42 HG1 GLU 42 -10.236 -4.977 -5.372 317 H GLN 43 HN GLN 43 -6.080 -3.541 -4.642 318 HA GLN 43 HA GLN 43 -5.092 -2.083 -2.236 319 HB2 GLN 43 HB2 GLN 43 -3.761 -3.418 -4.549 320 HB3 GLN 43 HB1 GLN 43 -2.896 -2.652 -3.197 321 HG2 GLN 43 HG2 GLN 43 -4.050 -4.330 -1.714 322 HG3 GLN 43 HG1 GLN 43 -4.709 -5.036 -3.156 323 HE21 GLN 43 HE21 GLN 43 -2.803 -6.047 -1.120 324 HE22 GLN 43 HE22 GLN 43 -1.486 -6.650 -2.056 325 H PHE 44 HN PHE 44 -4.964 -0.060 -2.466 326 HA PHE 44 HA PHE 44 -4.981 1.207 -5.108 327 HB2 PHE 44 HB2 PHE 44 -5.471 2.320 -2.329 328 HB3 PHE 44 HB1 PHE 44 -5.517 3.278 -3.798 329 HD1 PHE 44 HD1 PHE 44 -7.355 2.931 -5.431 330 HD2 PHE 44 HD2 PHE 44 -7.306 0.958 -1.675 331 HE1 PHE 44 HE1 PHE 44 -9.736 2.383 -5.685 332 HE2 PHE 44 HE2 PHE 44 -9.688 0.418 -1.920 333 HZ PHE 44 HZ PHE 44 -10.907 1.132 -3.929 334 HA PRO 45 HA PRO 45 -0.689 2.063 -4.747 335 HB2 PRO 45 HB2 PRO 45 -0.465 4.589 -5.798 336 HB3 PRO 45 HB1 PRO 45 -0.734 3.147 -6.783 337 HG2 PRO 45 HG2 PRO 45 -2.698 5.177 -5.808 338 HG3 PRO 45 HG1 PRO 45 -2.568 4.414 -7.405 339 HD2 PRO 45 HD2 PRO 45 -4.364 3.624 -5.574 340 HD3 PRO 45 HD1 PRO 45 -3.609 2.478 -6.710 341 HA PRO 46 HA PRO 46 0.476 4.351 -1.057 342 HB2 PRO 46 HB2 PRO 46 2.633 5.855 -1.885 343 HB3 PRO 46 HB1 PRO 46 2.758 4.123 -1.565 344 HG2 PRO 46 HG2 PRO 46 2.290 5.521 -4.170 345 HG3 PRO 46 HG1 PRO 46 3.466 4.252 -3.773 346 HD2 PRO 46 HD2 PRO 46 1.254 3.591 -5.011 347 HD3 PRO 46 HD1 PRO 46 1.775 2.601 -3.632 348 H ASP 47 HN ASP 47 -0.039 6.103 -3.990 349 HA ASP 47 HA ASP 47 -0.120 8.745 -2.875 350 HB2 ASP 47 HB2 ASP 47 -1.020 7.713 -5.574 351 HB3 ASP 47 HB1 ASP 47 -0.923 9.411 -5.124 352 H TYR 48 HN TYR 48 -2.174 6.256 -2.491 353 HA TYR 48 HA TYR 48 -4.584 7.780 -2.664 354 HB2 TYR 48 HB2 TYR 48 -3.942 5.044 -2.870 355 HB3 TYR 48 HB1 TYR 48 -4.806 5.293 -1.346 356 HD1 TYR 48 HD1 TYR 48 -5.058 6.034 -4.980 357 HD2 TYR 48 HD2 TYR 48 -7.118 5.392 -1.316 358 HE1 TYR 48 HE1 TYR 48 -7.193 6.021 -6.192 359 HE2 TYR 48 HE2 TYR 48 -9.260 5.385 -2.518 360 HH TYR 48 HH TYR 48 -9.423 5.136 -5.899 361 H ASP 49 HN ASP 49 -4.921 8.986 -1.122 362 HA ASP 49 HA ASP 49 -3.658 9.086 1.357 363 HB2 ASP 49 HB2 ASP 49 -6.112 10.390 0.228 364 HB3 ASP 49 HB1 ASP 49 -5.466 10.789 1.800 365 H GLN 50 HN GLN 50 -4.405 8.457 3.196 366 HA GLN 50 HA GLN 50 -6.094 6.220 3.264 367 HB2 GLN 50 HB2 GLN 50 -6.002 6.199 5.627 368 HB3 GLN 50 HB1 GLN 50 -4.408 6.589 5.001 369 HG2 GLN 50 HG2 GLN 50 -4.458 8.741 5.768 370 HG3 GLN 50 HG1 GLN 50 -6.221 8.789 5.839 371 HE21 GLN 50 HE21 GLN 50 -6.498 6.284 7.328 372 HE22 GLN 50 HE22 GLN 50 -5.925 6.625 8.904 373 H GLN 51 HN GLN 51 -6.668 9.572 3.894 374 HA GLN 51 HA GLN 51 -9.268 9.196 4.902 375 HB2 GLN 51 HB2 GLN 51 -8.135 11.644 3.562 376 HB3 GLN 51 HB1 GLN 51 -9.698 11.586 4.373 377 HG2 GLN 51 HG2 GLN 51 -7.004 11.124 5.636 378 HG3 GLN 51 HG1 GLN 51 -8.051 12.522 5.865 379 HE21 GLN 51 HE21 GLN 51 -6.970 10.617 7.775 380 HE22 GLN 51 HE22 GLN 51 -8.325 9.941 8.604 381 H VAL 52 HN VAL 52 -8.127 9.331 1.615 382 HA VAL 52 HA VAL 52 -10.723 9.438 0.414 383 HB VAL 52 HB VAL 52 -8.082 8.332 -0.633 384 HG11 VAL 52 HG11 VAL 52 -9.075 8.480 -2.879 385 HG12 VAL 52 HG12 VAL 52 -10.624 8.957 -2.174 386 HG13 VAL 52 HG13 VAL 52 -9.952 7.350 -1.862 387 HG21 VAL 52 HG21 VAL 52 -9.437 10.949 -1.228 388 HG22 VAL 52 HG22 VAL 52 -7.887 10.397 -1.870 389 HG23 VAL 52 HG23 VAL 52 -8.066 10.737 -0.143 390 H PHE 53 HN PHE 53 -8.524 6.999 1.497 391 HA PHE 53 HA PHE 53 -9.957 4.740 0.557 392 HB2 PHE 53 HB2 PHE 53 -7.545 4.674 0.906 393 HB3 PHE 53 HB1 PHE 53 -7.763 5.002 2.616 394 HD1 PHE 53 HD2 PHE 53 -8.726 2.535 0.006 395 HD2 PHE 53 HD1 PHE 53 -7.783 3.251 4.081 396 HE1 PHE 53 HE2 PHE 53 -8.814 0.121 0.443 397 HE2 PHE 53 HE1 PHE 53 -7.865 0.837 4.533 398 HZ PHE 53 HZ PHE 53 -8.380 -0.728 2.711 399 H GLU 54 HN GLU 54 -9.817 6.468 3.630 400 HA GLU 54 HA GLU 54 -11.352 4.796 5.233 401 HB2 GLU 54 HB2 GLU 54 -11.289 7.819 5.193 402 HB3 GLU 54 HB1 GLU 54 -11.996 6.857 6.470 403 HG2 GLU 54 HG2 GLU 54 -9.063 6.998 5.729 404 HG3 GLU 54 HG1 GLU 54 -9.858 7.658 7.154 405 H ARG 55 HN ARG 55 -12.295 7.352 3.005 406 HA ARG 55 HA ARG 55 -15.091 7.090 3.419 407 HB2 ARG 55 HB2 ARG 55 -13.427 8.395 1.344 408 HB3 ARG 55 HB1 ARG 55 -15.105 8.077 0.932 409 HG2 ARG 55 HG2 ARG 55 -14.855 10.350 1.759 410 HG3 ARG 55 HG1 ARG 55 -15.820 9.400 2.882 411 HD2 ARG 55 HD2 ARG 55 -13.852 9.100 4.298 412 HD3 ARG 55 HD1 ARG 55 -12.893 10.052 3.168 413 HE ARG 55 HE ARG 55 -15.163 11.496 4.003 414 HH11 ARG 55 HH11 ARG 55 -11.968 10.472 5.096 415 HH12 ARG 55 HH12 ARG 55 -11.820 11.687 6.271 416 HH21 ARG 55 HH21 ARG 55 -14.931 13.216 5.623 417 HH22 ARG 55 HH22 ARG 55 -13.504 13.252 6.570 418 H HIS 56 HN HIS 56 -12.833 5.504 1.277 419 HA HIS 56 HA HIS 56 -14.828 4.198 -0.199 420 HB2 HIS 56 HB2 HIS 56 -12.530 4.400 -1.102 421 HB3 HIS 56 HB1 HIS 56 -11.930 3.343 0.177 422 HD1 HIS 56 HD1 HIS 56 -13.663 3.229 -3.154 423 HD2 HIS 56 HD2 HIS 56 -12.700 0.704 -0.066 424 HE1 HIS 56 HE1 HIS 56 -14.301 0.874 -3.908 425 H VAL 57 HN VAL 57 -13.057 3.337 2.724 426 HA VAL 57 HA VAL 57 -14.022 0.663 2.899 427 HB VAL 57 HB VAL 57 -12.968 2.482 5.087 428 HG11 VAL 57 HG11 VAL 57 -14.347 0.665 6.024 429 HG12 VAL 57 HG12 VAL 57 -12.633 0.424 6.384 430 HG13 VAL 57 HG13 VAL 57 -13.402 -0.516 5.108 431 HG21 VAL 57 HG21 VAL 57 -10.921 1.118 4.823 432 HG22 VAL 57 HG22 VAL 57 -11.334 2.030 3.375 433 HG23 VAL 57 HG23 VAL 57 -11.681 0.304 3.459 434 H GLN 58 HN GLN 58 -15.099 3.721 4.043 435 HA GLN 58 HA GLN 58 -17.293 2.677 5.455 436 HB2 GLN 58 HB2 GLN 58 -16.490 5.373 4.559 437 HB3 GLN 58 HB1 GLN 58 -18.027 5.129 5.404 438 HG2 GLN 58 HG2 GLN 58 -15.250 4.480 6.410 439 HG3 GLN 58 HG1 GLN 58 -16.265 5.816 6.956 440 HE21 GLN 58 HE21 GLN 58 -15.820 2.345 7.014 441 HE22 GLN 58 HE22 GLN 58 -16.897 2.045 8.336 442 H THR 59 HN THR 59 -16.884 3.742 2.131 443 HA THR 59 HA THR 59 -19.661 3.785 1.667 444 HB THR 59 HB THR 59 -17.990 5.072 0.198 445 HG1 THR 59 HG1 THR 59 -20.196 4.690 -0.467 446 HG21 THR 59 HG21 THR 59 -16.467 3.157 -0.146 447 HG22 THR 59 HG22 THR 59 -16.948 3.939 -1.656 448 HG23 THR 59 HG23 THR 59 -17.685 2.403 -1.173 449 H HIS 60 HN HIS 60 -17.249 1.283 1.657 450 HA HIS 60 HA HIS 60 -18.666 -0.790 0.366 451 HB2 HIS 60 HB2 HIS 60 -16.878 -0.862 2.789 452 HB3 HIS 60 HB1 HIS 60 -17.659 -2.292 2.182 453 HD1 HIS 60 HD1 HIS 60 -16.545 -3.484 0.264 454 HD2 HIS 60 HD2 HIS 60 -14.623 0.020 1.332 455 HE1 HIS 60 HE1 HIS 60 -14.113 -3.743 -0.452 456 H PHE 61 HN PHE 61 -18.813 0.531 3.645 457 HA PHE 61 HA PHE 61 -20.770 -1.376 4.546 458 HB2 PHE 61 HB2 PHE 61 -19.531 1.053 5.818 459 HB3 PHE 61 HB1 PHE 61 -20.792 0.132 6.613 460 HD1 PHE 61 HD2 PHE 61 -20.325 -2.316 7.099 461 HD2 PHE 61 HD1 PHE 61 -17.292 0.431 5.951 462 HE1 PHE 61 HE2 PHE 61 -18.617 -3.804 8.048 463 HE2 PHE 61 HE1 PHE 61 -15.584 -1.050 6.899 464 HZ PHE 61 HZ PHE 61 -16.237 -3.171 7.947 465 H ASP 62 HN ASP 62 -20.666 1.890 3.406 466 HA ASP 62 HA ASP 62 -23.332 2.658 3.999 467 HB2 ASP 62 HB2 ASP 62 -21.478 4.236 3.379 468 HB3 ASP 62 HB1 ASP 62 -21.543 3.520 1.764 469 H GLN 63 HN GLN 63 -21.847 0.772 1.773 470 HA GLN 63 HA GLN 63 -22.252 -0.447 0.014 471 HB2 GLN 63 HB2 GLN 63 -24.321 -1.813 -0.051 472 HB3 GLN 63 HB1 GLN 63 -23.542 -1.790 1.516 473 HG2 GLN 63 HG2 GLN 63 -25.241 -0.178 2.298 474 HG3 GLN 63 HG1 GLN 63 -26.018 -0.262 0.719 475 HE21 GLN 63 HE21 GLN 63 -24.593 -3.034 2.331 476 HE22 GLN 63 HE22 GLN 63 -26.076 -3.847 2.630 477 H ASN 64 HN ASN 64 -22.833 2.377 -0.226 478 HA ASN 64 HA ASN 64 -23.231 3.828 -1.879 479 HB2 ASN 64 HB2 ASN 64 -22.189 2.018 -3.307 480 HB3 ASN 64 HB1 ASN 64 -23.800 1.418 -3.648 481 HD21 ASN 64 HD21 ASN 64 -21.529 4.025 -4.178 482 HD22 ASN 64 HD22 ASN 64 -22.314 4.677 -5.565 483 H VAL 65 HN VAL 65 -25.314 2.555 -0.177 484 HA VAL 65 HA VAL 65 -27.517 2.557 0.243 485 HB VAL 65 HB VAL 65 -27.509 5.095 -1.445 486 HG11 VAL 65 HG11 VAL 65 -29.424 5.797 -0.076 487 HG12 VAL 65 HG12 VAL 65 -29.407 4.231 0.738 488 HG13 VAL 65 HG13 VAL 65 -29.782 4.322 -0.982 489 HG21 VAL 65 HG21 VAL 65 -25.820 5.171 0.308 490 HG22 VAL 65 HG22 VAL 65 -27.037 4.739 1.511 491 HG23 VAL 65 HG23 VAL 65 -27.144 6.284 0.664 492 H LEU 66 HN LEU 66 -27.620 0.614 -1.031 493 HA LEU 66 HA LEU 66 -29.784 0.775 -2.857 494 HB2 LEU 66 HB2 LEU 66 -28.638 -0.537 -4.649 495 HB3 LEU 66 HB1 LEU 66 -28.109 1.117 -4.487 496 HG LEU 66 HG LEU 66 -26.100 0.169 -3.205 497 HD11 LEU 66 HD11 LEU 66 -25.447 -2.116 -3.735 498 HD12 LEU 66 HD12 LEU 66 -27.001 -2.388 -4.525 499 HD13 LEU 66 HD13 LEU 66 -26.937 -2.080 -2.790 500 HD21 LEU 66 HD21 LEU 66 -25.999 1.116 -5.391 501 HD22 LEU 66 HD22 LEU 66 -26.499 -0.416 -6.107 502 HD23 LEU 66 HD23 LEU 66 -24.928 -0.291 -5.296 503 H ASN 67 HN ASN 67 -30.585 -1.405 -3.390 504 HA ASN 67 HA ASN 67 -29.820 -3.212 -1.253 505 HB2 ASN 67 HB2 ASN 67 -32.148 -4.196 -1.372 506 HB3 ASN 67 HB1 ASN 67 -32.033 -2.577 -0.710 507 HD21 ASN 67 HD21 ASN 67 -33.224 -4.528 -3.383 508 HD22 ASN 67 HD22 ASN 67 -34.195 -3.275 -4.041 509 H PHE 68 HN PHE 68 -28.514 -4.534 -2.030 510 HA PHE 68 HA PHE 68 -28.968 -5.821 -4.587 511 HB2 PHE 68 HB2 PHE 68 -26.673 -5.076 -3.884 512 HB3 PHE 68 HB1 PHE 68 -26.762 -6.169 -2.518 513 HD1 PHE 68 HD2 PHE 68 -26.735 -6.055 -6.220 514 HD2 PHE 68 HD1 PHE 68 -26.040 -8.371 -2.724 515 HE1 PHE 68 HE2 PHE 68 -25.695 -7.812 -7.590 516 HE2 PHE 68 HE1 PHE 68 -25.001 -10.123 -4.080 517 HZ PHE 68 HZ PHE 68 -24.825 -9.854 -6.510 518 H ASP 69 HN ASP 69 -31.005 -6.599 -3.708 519 HA ASP 69 HA ASP 69 -30.831 -8.631 -1.668 520 HB2 ASP 69 HB2 ASP 69 -33.302 -8.482 -1.565 521 HB3 ASP 69 HB1 ASP 69 -32.527 -6.937 -1.274 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 28.723 8.138 -1.025 2 H2 GLY 1 HT2 GLY 1 29.689 6.961 -1.745 3 H3 GLY 1 HT3 GLY 1 30.217 8.579 -1.702 4 HA2 GLY 1 HA1 GLY 1 31.386 7.296 -0.077 5 HA3 GLY 1 HA2 GLY 1 30.299 8.443 0.702 6 HA PRO 2 HA PRO 2 29.146 4.497 2.594 7 HB2 PRO 2 HB2 PRO 2 28.172 6.027 4.848 8 HB3 PRO 2 HB1 PRO 2 29.557 4.936 4.788 9 HG2 PRO 2 HG2 PRO 2 29.767 7.652 5.099 10 HG3 PRO 2 HG1 PRO 2 31.033 6.637 4.392 11 HD2 PRO 2 HD2 PRO 2 29.012 8.369 3.023 12 HD3 PRO 2 HD1 PRO 2 30.727 8.092 2.637 13 H HIS 3 HN HIS 3 27.386 3.936 1.413 14 HA HIS 3 HA HIS 3 24.877 5.339 1.989 15 HB2 HIS 3 HB2 HIS 3 25.682 3.794 -0.479 16 HB3 HIS 3 HB1 HIS 3 24.036 4.318 -0.154 17 HD1 HIS 3 HD1 HIS 3 23.458 6.733 -0.782 18 HD2 HIS 3 HD2 HIS 3 27.518 5.890 -0.975 19 HE1 HIS 3 HE1 HIS 3 24.531 8.720 -1.856 20 H MET 4 HN MET 4 23.365 4.307 2.971 21 HA MET 4 HA MET 4 23.573 1.402 3.525 22 HB2 MET 4 HB2 MET 4 23.328 3.272 5.290 23 HB3 MET 4 HB1 MET 4 21.686 3.415 4.686 24 HG2 MET 4 HG2 MET 4 21.558 0.867 5.130 25 HG3 MET 4 HG1 MET 4 22.979 1.141 6.140 26 HE1 MET 4 HE1 MET 4 18.814 2.957 6.694 27 HE2 MET 4 HE2 MET 4 19.350 1.783 5.456 28 HE3 MET 4 HE3 MET 4 19.921 3.427 5.392 29 H ASP 5 HN ASP 5 22.912 2.533 1.030 30 HA ASP 5 HA ASP 5 20.268 1.499 0.514 31 HB2 ASP 5 HB2 ASP 5 19.703 3.775 0.864 32 HB3 ASP 5 HB1 ASP 5 21.196 4.340 0.135 33 H VAL 6 HN VAL 6 20.065 1.056 -1.712 34 HA VAL 6 HA VAL 6 22.263 1.484 -3.499 35 HB VAL 6 HB VAL 6 22.842 -0.660 -2.342 36 HG11 VAL 6 HG11 VAL 6 21.555 -2.706 -2.703 37 HG12 VAL 6 HG12 VAL 6 20.300 -1.759 -3.490 38 HG13 VAL 6 HG13 VAL 6 20.661 -1.492 -1.781 39 HG21 VAL 6 HG21 VAL 6 23.230 -2.064 -4.341 40 HG22 VAL 6 HG22 VAL 6 23.647 -0.365 -4.597 41 HG23 VAL 6 HG23 VAL 6 22.148 -1.013 -5.253 42 H HIS 7 HN HIS 7 20.182 2.725 -3.356 43 HA HIS 7 HA HIS 7 18.576 3.562 -4.358 44 HB2 HIS 7 HB2 HIS 7 19.262 1.653 -6.566 45 HB3 HIS 7 HB1 HIS 7 17.881 2.743 -6.684 46 HD1 HIS 7 HD1 HIS 7 18.440 4.853 -7.917 47 HD2 HIS 7 HD2 HIS 7 21.741 3.276 -5.943 48 HE1 HIS 7 HE1 HIS 7 20.378 6.357 -8.491 49 H LYS 8 HN LYS 8 18.011 1.827 -2.502 50 HA LYS 8 HA LYS 8 15.567 0.479 -3.387 51 HB2 LYS 8 HB2 LYS 8 17.478 -0.591 -1.290 52 HB3 LYS 8 HB1 LYS 8 15.946 -1.315 -1.741 53 HG2 LYS 8 HG2 LYS 8 18.357 -1.030 -3.519 54 HG3 LYS 8 HG1 LYS 8 17.862 -2.507 -2.696 55 HD2 LYS 8 HD2 LYS 8 16.240 -1.038 -4.789 56 HD3 LYS 8 HD1 LYS 8 17.262 -2.436 -5.086 57 HE2 LYS 8 HE2 LYS 8 15.875 -3.795 -3.604 58 HE3 LYS 8 HE1 LYS 8 14.867 -2.393 -3.245 59 HZ1 LYS 8 HZ1 LYS 8 14.204 -2.298 -5.542 60 HZ2 LYS 8 HZ2 LYS 8 13.860 -3.842 -4.967 61 HZ3 LYS 8 HZ3 LYS 8 15.207 -3.573 -5.951 62 H LYS 9 HN LYS 9 14.251 2.041 -2.696 63 HA LYS 9 HA LYS 9 14.315 2.604 0.179 64 HB2 LYS 9 HB2 LYS 9 13.006 4.538 -1.792 65 HB3 LYS 9 HB1 LYS 9 13.382 4.736 -0.137 66 HG2 LYS 9 HG2 LYS 9 14.799 6.140 -1.304 67 HG3 LYS 9 HG1 LYS 9 15.778 4.823 -0.662 68 HD2 LYS 9 HD2 LYS 9 15.921 3.801 -2.796 69 HD3 LYS 9 HD1 LYS 9 14.698 4.884 -3.465 70 HE2 LYS 9 HE2 LYS 9 16.999 5.444 -4.088 71 HE3 LYS 9 HE1 LYS 9 16.155 6.760 -3.273 72 HZ1 LYS 9 HZ1 LYS 9 18.455 6.413 -2.487 73 HZ2 LYS 9 HZ2 LYS 9 18.018 4.878 -1.920 74 HZ3 LYS 9 HZ3 LYS 9 17.316 6.261 -1.263 75 H CYS 10 HN CYS 10 12.371 2.330 1.148 76 HA CYS 10 HA CYS 10 10.110 1.106 -0.064 77 HB2 CYS 10 HB2 CYS 10 10.589 2.815 2.325 78 HB3 CYS 10 HB1 CYS 10 8.969 2.829 1.663 79 HA PRO 11 HA PRO 11 9.699 4.901 -2.563 80 HB2 PRO 11 HB2 PRO 11 7.919 3.971 -4.404 81 HB3 PRO 11 HB1 PRO 11 9.650 3.634 -4.493 82 HG2 PRO 11 HG2 PRO 11 7.421 1.878 -3.580 83 HG3 PRO 11 HG1 PRO 11 8.902 1.455 -4.451 84 HD2 PRO 11 HD2 PRO 11 8.517 1.066 -1.749 85 HD3 PRO 11 HD1 PRO 11 10.100 1.216 -2.531 86 H LEU 12 HN LEU 12 7.390 3.047 -0.985 87 HA LEU 12 HA LEU 12 5.364 5.115 -1.200 88 HB2 LEU 12 HB2 LEU 12 4.992 2.481 0.157 89 HB3 LEU 12 HB1 LEU 12 3.801 3.465 -0.672 90 HG LEU 12 HG LEU 12 5.953 1.766 -1.948 91 HD11 LEU 12 HD11 LEU 12 4.100 0.509 -2.912 92 HD12 LEU 12 HD12 LEU 12 2.983 1.436 -1.904 93 HD13 LEU 12 HD13 LEU 12 4.208 0.415 -1.161 94 HD21 LEU 12 HD21 LEU 12 3.901 3.493 -3.322 95 HD22 LEU 12 HD22 LEU 12 4.959 2.303 -4.092 96 HD23 LEU 12 HD23 LEU 12 5.658 3.731 -3.320 97 H CYS 13 HN CYS 13 7.871 4.164 0.887 98 HA CYS 13 HA CYS 13 6.639 5.694 3.101 99 HB2 CYS 13 HB2 CYS 13 8.942 3.692 3.438 100 HB3 CYS 13 HB1 CYS 13 8.472 4.838 4.650 101 H GLU 14 HN GLU 14 10.030 4.882 2.515 102 HA GLU 14 HA GLU 14 11.343 6.898 1.485 103 HB2 GLU 14 HB2 GLU 14 11.894 8.560 3.223 104 HB3 GLU 14 HB1 GLU 14 10.165 8.565 2.918 105 HG2 GLU 14 HG2 GLU 14 9.826 7.214 4.947 106 HG3 GLU 14 HG1 GLU 14 11.560 7.266 5.256 107 H LEU 15 HN LEU 15 11.066 4.459 3.861 108 HA LEU 15 HA LEU 15 13.516 4.233 5.070 109 HB2 LEU 15 HB2 LEU 15 11.713 2.107 3.985 110 HB3 LEU 15 HB1 LEU 15 13.248 1.713 4.706 111 HG LEU 15 HG LEU 15 12.440 2.768 6.822 112 HD11 LEU 15 HD11 LEU 15 10.762 4.191 5.842 113 HD12 LEU 15 HD12 LEU 15 10.073 3.132 7.090 114 HD13 LEU 15 HD13 LEU 15 9.820 2.773 5.374 115 HD21 LEU 15 HD21 LEU 15 11.090 0.855 7.416 116 HD22 LEU 15 HD22 LEU 15 12.459 0.421 6.365 117 HD23 LEU 15 HD23 LEU 15 10.824 0.504 5.697 118 H MET 16 HN MET 16 15.206 2.904 4.673 119 HA MET 16 HA MET 16 16.011 2.799 1.842 120 HB2 MET 16 HB2 MET 16 17.595 3.812 4.179 121 HB3 MET 16 HB1 MET 16 18.352 3.377 2.648 122 HG2 MET 16 HG2 MET 16 17.020 5.101 1.529 123 HG3 MET 16 HG1 MET 16 16.262 5.510 3.065 124 HE1 MET 16 HE1 MET 16 17.503 6.669 5.080 125 HE2 MET 16 HE2 MET 16 19.231 7.021 5.103 126 HE3 MET 16 HE3 MET 16 18.671 5.348 5.121 127 H PHE 17 HN PHE 17 16.995 1.009 1.236 128 HA PHE 17 HA PHE 17 17.467 -0.941 3.341 129 HB2 PHE 17 HB2 PHE 17 16.326 -1.444 0.589 130 HB3 PHE 17 HB1 PHE 17 16.682 -2.684 1.789 131 HD1 PHE 17 HD2 PHE 17 15.529 -2.395 4.095 132 HD2 PHE 17 HD1 PHE 17 14.197 -0.500 0.531 133 HE1 PHE 17 HE2 PHE 17 13.307 -2.078 5.099 134 HE2 PHE 17 HE1 PHE 17 11.970 -0.181 1.538 135 HZ PHE 17 HZ PHE 17 11.532 -0.965 3.821 136 HA PRO 18 HA PRO 18 21.535 -1.000 1.630 137 HB2 PRO 18 HB2 PRO 18 22.548 -2.905 3.290 138 HB3 PRO 18 HB1 PRO 18 22.229 -1.255 3.827 139 HG2 PRO 18 HG2 PRO 18 20.613 -3.729 4.235 140 HG3 PRO 18 HG1 PRO 18 20.939 -2.400 5.359 141 HD2 PRO 18 HD2 PRO 18 18.615 -2.676 3.943 142 HD3 PRO 18 HD1 PRO 18 19.249 -1.123 4.528 143 HA PRO 19 HA PRO 19 21.816 -4.335 -1.332 144 HB2 PRO 19 HB2 PRO 19 24.577 -4.979 -0.602 145 HB3 PRO 19 HB1 PRO 19 23.948 -4.305 -2.107 146 HG2 PRO 19 HG2 PRO 19 25.407 -2.842 -0.400 147 HG3 PRO 19 HG1 PRO 19 24.087 -2.132 -1.346 148 HD2 PRO 19 HD2 PRO 19 24.144 -2.949 1.531 149 HD3 PRO 19 HD1 PRO 19 23.401 -1.524 0.779 150 H ASN 20 HN ASN 20 22.266 -5.170 1.893 151 HA ASN 20 HA ASN 20 22.324 -7.930 1.081 152 HB2 ASN 20 HB2 ASN 20 22.756 -8.546 3.423 153 HB3 ASN 20 HB1 ASN 20 23.921 -7.357 2.852 154 HD21 ASN 20 HD21 ASN 20 22.876 -8.098 5.549 155 HD22 ASN 20 HD22 ASN 20 22.380 -6.604 6.252 156 H TYR 21 HN TYR 21 19.948 -5.700 1.513 157 HA TYR 21 HA TYR 21 18.155 -7.208 3.056 158 HB2 TYR 21 HB2 TYR 21 18.279 -4.746 2.684 159 HB3 TYR 21 HB1 TYR 21 17.451 -5.004 1.134 160 HD1 TYR 21 HD2 TYR 21 17.367 -5.237 4.689 161 HD2 TYR 21 HD1 TYR 21 15.078 -5.505 1.193 162 HE1 TYR 21 HE2 TYR 21 15.286 -5.198 6.088 163 HE2 TYR 21 HE1 TYR 21 12.976 -5.475 2.515 164 HH TYR 21 HH TYR 21 12.195 -5.913 4.759 165 H ASP 22 HN ASP 22 16.348 -7.934 2.202 166 HA ASP 22 HA ASP 22 16.792 -9.487 -0.288 167 HB2 ASP 22 HB2 ASP 22 16.126 -10.611 2.061 168 HB3 ASP 22 HB1 ASP 22 14.605 -9.967 1.588 169 H GLN 23 HN GLN 23 15.658 -9.249 -1.863 170 HA GLN 23 HA GLN 23 13.908 -7.139 -2.314 171 HB2 GLN 23 HB2 GLN 23 14.605 -9.589 -3.772 172 HB3 GLN 23 HB1 GLN 23 13.359 -8.514 -4.411 173 HG2 GLN 23 HG2 GLN 23 15.050 -6.691 -4.374 174 HG3 GLN 23 HG1 GLN 23 16.244 -7.863 -3.823 175 HE21 GLN 23 HE21 GLN 23 14.286 -6.817 -6.471 176 HE22 GLN 23 HE22 GLN 23 15.116 -7.705 -7.689 177 H SER 24 HN SER 24 13.193 -10.559 -1.637 178 HA SER 24 HA SER 24 10.400 -10.093 -2.201 179 HB2 SER 24 HB2 SER 24 10.037 -12.431 -1.473 180 HB3 SER 24 HB1 SER 24 11.359 -12.329 -2.628 181 HG SER 24 HG SER 24 12.756 -12.262 -0.629 182 H LYS 25 HN LYS 25 12.488 -10.044 0.505 183 HA LYS 25 HA LYS 25 10.436 -9.884 2.498 184 HB2 LYS 25 HB2 LYS 25 13.329 -9.014 2.649 185 HB3 LYS 25 HB1 LYS 25 12.341 -9.246 4.044 186 HG2 LYS 25 HG2 LYS 25 13.268 -11.397 2.142 187 HG3 LYS 25 HG1 LYS 25 13.856 -11.110 3.772 188 HD2 LYS 25 HD2 LYS 25 11.018 -11.922 3.118 189 HD3 LYS 25 HD1 LYS 25 12.304 -13.078 3.419 190 HE2 LYS 25 HE2 LYS 25 11.093 -12.878 5.445 191 HE3 LYS 25 HE1 LYS 25 12.586 -11.983 5.685 192 HZ1 LYS 25 HZ1 LYS 25 10.562 -10.909 6.532 193 HZ2 LYS 25 HZ2 LYS 25 9.996 -10.762 4.943 194 HZ3 LYS 25 HZ3 LYS 25 11.400 -9.937 5.437 195 H PHE 26 HN PHE 26 11.863 -7.752 0.289 196 HA PHE 26 HA PHE 26 11.013 -5.307 1.568 197 HB2 PHE 26 HB2 PHE 26 13.061 -5.248 0.302 198 HB3 PHE 26 HB1 PHE 26 12.281 -5.964 -1.087 199 HD1 PHE 26 HD2 PHE 26 11.053 -3.091 0.944 200 HD2 PHE 26 HD1 PHE 26 12.687 -4.432 -2.734 201 HE1 PHE 26 HE2 PHE 26 10.657 -0.878 -0.041 202 HE2 PHE 26 HE1 PHE 26 12.294 -2.229 -3.723 203 HZ PHE 26 HZ PHE 26 11.283 -0.445 -2.379 204 H GLU 27 HN GLU 27 10.191 -7.162 -1.318 205 HA GLU 27 HA GLU 27 8.044 -5.639 -2.193 206 HB2 GLU 27 HB2 GLU 27 8.514 -8.598 -2.572 207 HB3 GLU 27 HB1 GLU 27 7.325 -7.649 -3.451 208 HG2 GLU 27 HG2 GLU 27 10.315 -7.338 -3.546 209 HG3 GLU 27 HG1 GLU 27 9.277 -7.994 -4.811 210 H GLU 28 HN GLU 28 8.156 -8.216 0.206 211 HA GLU 28 HA GLU 28 5.286 -8.330 0.628 212 HB2 GLU 28 HB2 GLU 28 5.766 -9.524 2.644 213 HB3 GLU 28 HB1 GLU 28 6.907 -10.111 1.445 214 HG2 GLU 28 HG2 GLU 28 8.629 -8.688 2.358 215 HG3 GLU 28 HG1 GLU 28 7.490 -8.047 3.532 216 H HIS 29 HN HIS 29 7.694 -6.155 1.700 217 HA HIS 29 HA HIS 29 5.784 -5.194 3.434 218 HB2 HIS 29 HB2 HIS 29 8.089 -4.741 4.131 219 HB3 HIS 29 HB1 HIS 29 8.447 -3.940 2.613 220 HD1 HIS 29 HD1 HIS 29 8.652 -2.785 5.748 221 HD2 HIS 29 HD2 HIS 29 6.019 -1.700 2.759 222 HE1 HIS 29 HE1 HIS 29 7.943 -0.360 6.210 223 H VAL 30 HN VAL 30 6.912 -4.435 0.218 224 HA VAL 30 HA VAL 30 5.219 -2.089 -0.199 225 HB VAL 30 HB VAL 30 6.172 -4.002 -2.356 226 HG11 VAL 30 HG11 VAL 30 6.082 -2.029 -3.797 227 HG12 VAL 30 HG12 VAL 30 5.671 -1.012 -2.433 228 HG13 VAL 30 HG13 VAL 30 4.520 -2.229 -2.996 229 HG21 VAL 30 HG21 VAL 30 8.116 -3.404 -1.000 230 HG22 VAL 30 HG22 VAL 30 7.716 -1.704 -1.128 231 HG23 VAL 30 HG23 VAL 30 8.197 -2.601 -2.562 232 H GLU 31 HN GLU 31 4.539 -5.480 -0.587 233 HA GLU 31 HA GLU 31 1.901 -4.882 -1.461 234 HB2 GLU 31 HB2 GLU 31 2.956 -7.393 -0.158 235 HB3 GLU 31 HB1 GLU 31 1.409 -7.246 -0.983 236 HG2 GLU 31 HG2 GLU 31 2.545 -6.757 -3.070 237 HG3 GLU 31 HG1 GLU 31 4.104 -6.864 -2.253 238 H SER 32 HN SER 32 3.371 -5.036 1.680 239 HA SER 32 HA SER 32 0.898 -5.087 3.127 240 HB2 SER 32 HB2 SER 32 3.637 -4.152 4.030 241 HB3 SER 32 HB1 SER 32 2.258 -4.466 5.086 242 HG SER 32 HG SER 32 3.488 -6.381 3.384 243 H HIS 33 HN HIS 33 2.952 -2.675 1.721 244 HA HIS 33 HA HIS 33 1.812 -0.331 2.759 245 HB2 HIS 33 HB2 HIS 33 3.224 -1.010 0.237 246 HB3 HIS 33 HB1 HIS 33 2.375 0.511 0.340 247 HD1 HIS 33 HD1 HIS 33 3.249 1.886 2.716 248 HD2 HIS 33 HD2 HIS 33 5.877 -0.601 0.631 249 HE1 HIS 33 HE1 HIS 33 5.540 2.849 2.995 250 H TRP 34 HN TRP 34 0.880 -2.388 -0.107 251 HA TRP 34 HA TRP 34 -1.104 -0.821 -1.086 252 HB2 TRP 34 HB2 TRP 34 -0.535 -3.755 -0.991 253 HB3 TRP 34 HB1 TRP 34 -1.789 -3.002 -2.046 254 HD1 TRP 34 HD1 TRP 34 1.296 -0.998 -2.115 255 HE1 TRP 34 HE1 TRP 34 2.679 -1.792 -3.996 256 HE3 TRP 34 HE3 TRP 34 -1.046 -5.123 -2.869 257 HZ2 TRP 34 HZ2 TRP 34 2.825 -4.066 -5.767 258 HZ3 TRP 34 HZ3 TRP 34 -0.314 -6.787 -4.732 259 HH2 TRP 34 HH2 TRP 34 1.625 -6.195 -6.127 260 H LYS 35 HN LYS 35 -2.840 -0.283 -0.213 261 HA LYS 35 HA LYS 35 -3.637 -1.148 2.389 262 HB2 LYS 35 HB2 LYS 35 -5.203 0.664 0.563 263 HB3 LYS 35 HB1 LYS 35 -5.303 0.559 2.310 264 HG2 LYS 35 HG2 LYS 35 -2.973 1.634 0.727 265 HG3 LYS 35 HG1 LYS 35 -4.171 2.589 1.594 266 HD2 LYS 35 HD2 LYS 35 -3.413 1.670 3.711 267 HD3 LYS 35 HD1 LYS 35 -2.282 0.607 2.868 268 HE2 LYS 35 HE2 LYS 35 -1.132 2.575 1.950 269 HE3 LYS 35 HE1 LYS 35 -2.238 3.620 2.836 270 HZ1 LYS 35 HZ1 LYS 35 -0.344 1.687 4.056 271 HZ2 LYS 35 HZ2 LYS 35 -1.384 2.708 4.898 272 HZ3 LYS 35 HZ3 LYS 35 -0.134 3.354 3.967 273 H VAL 36 HN VAL 36 -4.377 -2.752 2.739 274 HA VAL 36 HA VAL 36 -6.247 -4.048 0.954 275 HB VAL 36 HB VAL 36 -4.365 -5.301 1.857 276 HG11 VAL 36 HG11 VAL 36 -4.045 -4.278 3.965 277 HG12 VAL 36 HG12 VAL 36 -4.282 -6.016 4.207 278 HG13 VAL 36 HG13 VAL 36 -5.593 -4.883 4.554 279 HG21 VAL 36 HG21 VAL 36 -5.595 -7.319 2.600 280 HG22 VAL 36 HG22 VAL 36 -6.370 -6.539 1.220 281 HG23 VAL 36 HG23 VAL 36 -7.030 -6.326 2.842 282 H CYS 37 HN CYS 37 -8.337 -4.054 1.245 283 HA CYS 37 HA CYS 37 -9.419 -2.534 3.363 284 HB2 CYS 37 HB2 CYS 37 -10.193 -2.279 1.104 285 HB3 CYS 37 HB1 CYS 37 -10.462 -4.012 1.002 286 HA PRO 38 HA PRO 38 -10.034 -6.045 6.023 287 HB2 PRO 38 HB2 PRO 38 -12.505 -4.687 6.919 288 HB3 PRO 38 HB1 PRO 38 -11.105 -5.199 7.866 289 HG2 PRO 38 HG2 PRO 38 -11.569 -2.609 7.313 290 HG3 PRO 38 HG1 PRO 38 -9.931 -3.271 7.426 291 HD2 PRO 38 HD2 PRO 38 -11.511 -2.531 4.998 292 HD3 PRO 38 HD1 PRO 38 -9.762 -2.414 5.312 293 H MET 39 HN MET 39 -13.027 -4.736 4.551 294 HA MET 39 HA MET 39 -14.300 -7.288 4.670 295 HB2 MET 39 HB2 MET 39 -15.468 -5.093 4.900 296 HB3 MET 39 HB1 MET 39 -15.162 -4.841 3.181 297 HG2 MET 39 HG2 MET 39 -16.248 -7.200 2.979 298 HG3 MET 39 HG1 MET 39 -16.941 -6.744 4.539 299 HE1 MET 39 HE1 MET 39 -18.724 -3.337 3.374 300 HE2 MET 39 HE2 MET 39 -17.106 -3.585 4.024 301 HE3 MET 39 HE3 MET 39 -18.496 -4.381 4.799 302 H CYS 40 HN CYS 40 -12.533 -5.391 2.249 303 HA CYS 40 HA CYS 40 -13.780 -6.971 0.142 304 HB2 CYS 40 HB2 CYS 40 -11.971 -4.618 0.152 305 HB3 CYS 40 HB1 CYS 40 -12.362 -5.441 -1.331 306 H SER 41 HN SER 41 -10.850 -6.689 1.892 307 HA SER 41 HA SER 41 -8.995 -7.799 2.004 308 HB2 SER 41 HB2 SER 41 -10.525 -9.938 0.517 309 HB3 SER 41 HB1 SER 41 -8.988 -10.164 1.368 310 HG SER 41 HG SER 41 -11.350 -10.369 2.379 311 H GLU 42 HN GLU 42 -9.494 -6.022 -0.263 312 HA GLU 42 HA GLU 42 -7.685 -7.050 -2.197 313 HB2 GLU 42 HB2 GLU 42 -10.037 -5.228 -2.257 314 HB3 GLU 42 HB1 GLU 42 -8.791 -5.156 -3.483 315 HG2 GLU 42 HG2 GLU 42 -9.179 -7.475 -3.990 316 HG3 GLU 42 HG1 GLU 42 -10.469 -7.547 -2.782 317 H GLN 43 HN GLN 43 -6.234 -6.115 -2.501 318 HA GLN 43 HA GLN 43 -5.158 -4.000 -0.750 319 HB2 GLN 43 HB2 GLN 43 -4.054 -5.759 -2.868 320 HB3 GLN 43 HB1 GLN 43 -3.031 -4.687 -1.870 321 HG2 GLN 43 HG2 GLN 43 -3.955 -6.055 0.092 322 HG3 GLN 43 HG1 GLN 43 -4.649 -7.101 -1.109 323 HE21 GLN 43 HE21 GLN 43 -1.623 -6.007 0.227 324 HE22 GLN 43 HE22 GLN 43 -0.695 -7.316 -0.399 325 H PHE 44 HN PHE 44 -5.156 -2.059 -1.365 326 HA PHE 44 HA PHE 44 -5.586 -1.291 -4.137 327 HB2 PHE 44 HB2 PHE 44 -5.940 0.116 -1.504 328 HB3 PHE 44 HB1 PHE 44 -5.959 0.992 -3.027 329 HD1 PHE 44 HD1 PHE 44 -7.570 -1.976 -1.405 330 HD2 PHE 44 HD2 PHE 44 -8.019 1.333 -4.042 331 HE1 PHE 44 HE1 PHE 44 -9.951 -2.512 -1.670 332 HE2 PHE 44 HE2 PHE 44 -10.396 0.796 -4.310 333 HZ PHE 44 HZ PHE 44 -11.364 -1.128 -3.128 334 HA PRO 45 HA PRO 45 -1.409 -0.151 -4.576 335 HB2 PRO 45 HB2 PRO 45 -1.644 1.918 -6.334 336 HB3 PRO 45 HB1 PRO 45 -1.800 0.220 -6.792 337 HG2 PRO 45 HG2 PRO 45 -3.933 2.246 -6.218 338 HG3 PRO 45 HG1 PRO 45 -3.867 1.048 -7.527 339 HD2 PRO 45 HD2 PRO 45 -5.345 0.670 -5.309 340 HD3 PRO 45 HD1 PRO 45 -4.547 -0.679 -6.133 341 HA PRO 46 HA PRO 46 -0.452 3.335 -1.940 342 HB2 PRO 46 HB2 PRO 46 1.710 4.387 -3.235 343 HB3 PRO 46 HB1 PRO 46 1.777 2.947 -2.215 344 HG2 PRO 46 HG2 PRO 46 1.523 3.137 -5.205 345 HG3 PRO 46 HG1 PRO 46 2.591 2.086 -4.255 346 HD2 PRO 46 HD2 PRO 46 0.349 1.156 -5.309 347 HD3 PRO 46 HD1 PRO 46 0.824 0.646 -3.676 348 H ASP 47 HN ASP 47 -1.277 3.660 -5.163 349 HA ASP 47 HA ASP 47 -1.278 6.524 -5.405 350 HB2 ASP 47 HB2 ASP 47 -1.053 5.039 -7.365 351 HB3 ASP 47 HB1 ASP 47 -2.657 4.392 -7.057 352 H TYR 48 HN TYR 48 -3.131 4.308 -3.732 353 HA TYR 48 HA TYR 48 -5.473 5.901 -3.768 354 HB2 TYR 48 HB2 TYR 48 -4.921 3.104 -3.264 355 HB3 TYR 48 HB1 TYR 48 -5.858 3.835 -1.955 356 HD1 TYR 48 HD2 TYR 48 -8.015 4.802 -2.375 357 HD2 TYR 48 HD1 TYR 48 -5.870 2.853 -5.473 358 HE1 TYR 48 HE2 TYR 48 -10.047 4.733 -3.694 359 HE2 TYR 48 HE1 TYR 48 -7.916 2.757 -6.836 360 HH TYR 48 HH TYR 48 -10.313 2.790 -6.485 361 H ASP 49 HN ASP 49 -5.508 7.419 -2.500 362 HA ASP 49 HA ASP 49 -3.750 7.969 -0.366 363 HB2 ASP 49 HB2 ASP 49 -5.167 9.593 -1.906 364 HB3 ASP 49 HB1 ASP 49 -6.421 9.188 -0.794 365 H GLN 50 HN GLN 50 -4.332 8.118 1.669 366 HA GLN 50 HA GLN 50 -5.828 5.956 2.686 367 HB2 GLN 50 HB2 GLN 50 -4.388 8.203 4.003 368 HB3 GLN 50 HB1 GLN 50 -5.474 7.189 4.951 369 HG2 GLN 50 HG2 GLN 50 -3.380 5.978 3.204 370 HG3 GLN 50 HG1 GLN 50 -2.994 6.566 4.819 371 HE21 GLN 50 HE21 GLN 50 -6.195 5.233 4.297 372 HE22 GLN 50 HE22 GLN 50 -5.926 3.768 5.127 373 H GLN 51 HN GLN 51 -6.555 9.316 2.299 374 HA GLN 51 HA GLN 51 -8.964 9.082 3.833 375 HB2 GLN 51 HB2 GLN 51 -9.525 11.345 3.108 376 HB3 GLN 51 HB1 GLN 51 -7.829 11.235 3.562 377 HG2 GLN 51 HG2 GLN 51 -7.160 11.213 1.248 378 HG3 GLN 51 HG1 GLN 51 -8.847 11.233 0.737 379 HE21 GLN 51 HE21 GLN 51 -8.572 13.141 -0.370 380 HE22 GLN 51 HE22 GLN 51 -8.398 14.667 0.428 381 H VAL 52 HN VAL 52 -8.105 8.820 0.486 382 HA VAL 52 HA VAL 52 -10.711 8.628 -0.599 383 HB VAL 52 HB VAL 52 -8.012 7.638 -1.592 384 HG11 VAL 52 HG11 VAL 52 -9.832 6.415 -2.665 385 HG12 VAL 52 HG12 VAL 52 -8.944 7.496 -3.747 386 HG13 VAL 52 HG13 VAL 52 -10.554 7.963 -3.165 387 HG21 VAL 52 HG21 VAL 52 -8.066 9.547 -3.018 388 HG22 VAL 52 HG22 VAL 52 -8.216 10.065 -1.321 389 HG23 VAL 52 HG23 VAL 52 -9.634 10.010 -2.380 390 H PHE 53 HN PHE 53 -8.333 6.312 0.506 391 HA PHE 53 HA PHE 53 -9.771 3.959 -0.026 392 HB2 PHE 53 HB2 PHE 53 -7.369 3.920 0.296 393 HB3 PHE 53 HB1 PHE 53 -7.539 4.539 1.929 394 HD1 PHE 53 HD2 PHE 53 -8.495 1.645 -0.205 395 HD2 PHE 53 HD1 PHE 53 -7.584 3.065 3.701 396 HE1 PHE 53 HE2 PHE 53 -8.557 -0.658 0.647 397 HE2 PHE 53 HE1 PHE 53 -7.644 0.768 4.558 398 HZ PHE 53 HZ PHE 53 -8.122 -1.094 3.036 399 H GLU 54 HN GLU 54 -9.549 6.015 2.871 400 HA GLU 54 HA GLU 54 -11.167 4.302 4.432 401 HB2 GLU 54 HB2 GLU 54 -10.606 7.252 4.745 402 HB3 GLU 54 HB1 GLU 54 -11.495 6.285 5.919 403 HG2 GLU 54 HG2 GLU 54 -8.644 5.843 5.067 404 HG3 GLU 54 HG1 GLU 54 -9.144 6.553 6.592 405 H ARG 55 HN ARG 55 -11.962 6.914 2.229 406 HA ARG 55 HA ARG 55 -14.736 7.030 2.841 407 HB2 ARG 55 HB2 ARG 55 -13.090 7.818 0.512 408 HB3 ARG 55 HB1 ARG 55 -14.800 7.591 0.212 409 HG2 ARG 55 HG2 ARG 55 -14.282 9.937 0.642 410 HG3 ARG 55 HG1 ARG 55 -15.359 9.280 1.864 411 HD2 ARG 55 HD2 ARG 55 -13.552 9.111 3.436 412 HD3 ARG 55 HD1 ARG 55 -12.380 9.557 2.199 413 HE ARG 55 HE ARG 55 -14.233 11.572 2.301 414 HH11 ARG 55 HH11 ARG 55 -11.900 10.177 4.578 415 HH12 ARG 55 HH12 ARG 55 -11.567 11.664 5.340 416 HH21 ARG 55 HH21 ARG 55 -13.770 13.594 3.370 417 HH22 ARG 55 HH22 ARG 55 -12.659 13.637 4.656 418 H HIS 56 HN HIS 56 -12.877 5.067 0.626 419 HA HIS 56 HA HIS 56 -14.890 3.561 -0.527 420 HB2 HIS 56 HB2 HIS 56 -12.776 3.231 -1.477 421 HB3 HIS 56 HB1 HIS 56 -12.001 3.008 0.080 422 HD1 HIS 56 HD1 HIS 56 -14.361 1.047 -2.256 423 HD2 HIS 56 HD2 HIS 56 -11.508 0.432 0.717 424 HE1 HIS 56 HE1 HIS 56 -13.966 -1.448 -2.136 425 H VAL 57 HN VAL 57 -13.117 2.927 2.466 426 HA VAL 57 HA VAL 57 -14.310 0.392 2.934 427 HB VAL 57 HB VAL 57 -13.042 2.279 4.953 428 HG11 VAL 57 HG11 VAL 57 -12.710 0.246 6.311 429 HG12 VAL 57 HG12 VAL 57 -13.676 -0.671 5.139 430 HG13 VAL 57 HG13 VAL 57 -14.412 0.628 6.064 431 HG21 VAL 57 HG21 VAL 57 -11.037 0.894 4.681 432 HG22 VAL 57 HG22 VAL 57 -11.497 1.674 3.167 433 HG23 VAL 57 HG23 VAL 57 -11.853 -0.035 3.423 434 H GLN 58 HN GLN 58 -15.013 3.615 3.940 435 HA GLN 58 HA GLN 58 -17.084 2.871 5.673 436 HB2 GLN 58 HB2 GLN 58 -16.104 5.415 4.568 437 HB3 GLN 58 HB1 GLN 58 -17.518 5.394 5.649 438 HG2 GLN 58 HG2 GLN 58 -14.718 4.407 6.236 439 HG3 GLN 58 HG1 GLN 58 -15.443 5.886 6.863 440 HE21 GLN 58 HE21 GLN 58 -15.519 2.391 6.994 441 HE22 GLN 58 HE22 GLN 58 -16.343 2.301 8.512 442 H THR 59 HN THR 59 -17.014 3.265 2.267 443 HA THR 59 HA THR 59 -19.789 3.962 2.239 444 HB THR 59 HB THR 59 -18.323 5.099 0.548 445 HG1 THR 59 HG1 THR 59 -20.145 5.267 -0.422 446 HG21 THR 59 HG21 THR 59 -17.580 3.894 -1.443 447 HG22 THR 59 HG22 THR 59 -18.209 2.387 -0.757 448 HG23 THR 59 HG23 THR 59 -16.862 3.215 0.024 449 H HIS 60 HN HIS 60 -17.786 1.034 1.540 450 HA HIS 60 HA HIS 60 -20.269 -0.250 0.989 451 HB2 HIS 60 HB2 HIS 60 -18.983 -2.342 1.178 452 HB3 HIS 60 HB1 HIS 60 -18.648 -1.462 -0.302 453 HD1 HIS 60 HD1 HIS 60 -17.048 -3.766 1.302 454 HD2 HIS 60 HD2 HIS 60 -16.174 0.258 1.203 455 HE1 HIS 60 HE1 HIS 60 -14.546 -3.550 1.754 456 H PHE 61 HN PHE 61 -18.612 0.506 3.725 457 HA PHE 61 HA PHE 61 -20.013 -1.323 5.484 458 HB2 PHE 61 HB2 PHE 61 -18.512 1.261 5.939 459 HB3 PHE 61 HB1 PHE 61 -19.468 0.549 7.221 460 HD1 PHE 61 HD1 PHE 61 -17.662 -1.652 4.953 461 HD2 PHE 61 HD2 PHE 61 -17.495 0.491 8.595 462 HE1 PHE 61 HE1 PHE 61 -15.704 -2.997 5.647 463 HE2 PHE 61 HE2 PHE 61 -15.554 -0.827 9.307 464 HZ PHE 61 HZ PHE 61 -14.650 -2.583 7.831 465 H ASP 62 HN ASP 62 -20.733 1.389 3.685 466 HA ASP 62 HA ASP 62 -23.037 2.254 5.252 467 HB2 ASP 62 HB2 ASP 62 -21.560 3.916 4.105 468 HB3 ASP 62 HB1 ASP 62 -22.000 3.164 2.579 469 H GLN 63 HN GLN 63 -22.589 1.622 1.962 470 HA GLN 63 HA GLN 63 -24.069 -0.632 1.591 471 HB2 GLN 63 HB2 GLN 63 -26.148 0.123 0.607 472 HB3 GLN 63 HB1 GLN 63 -25.998 0.767 2.228 473 HG2 GLN 63 HG2 GLN 63 -25.131 2.898 1.081 474 HG3 GLN 63 HG1 GLN 63 -25.824 2.202 -0.390 475 HE21 GLN 63 HE21 GLN 63 -27.718 0.861 1.411 476 HE22 GLN 63 HE22 GLN 63 -28.975 1.992 1.751 477 H ASN 64 HN ASN 64 -22.968 2.404 0.383 478 HA ASN 64 HA ASN 64 -21.724 3.042 -1.289 479 HB2 ASN 64 HB2 ASN 64 -20.288 1.108 -0.830 480 HB3 ASN 64 HB1 ASN 64 -21.271 0.094 -1.866 481 HD21 ASN 64 HD21 ASN 64 -20.249 3.420 -2.540 482 HD22 ASN 64 HD22 ASN 64 -19.282 3.015 -3.901 483 H VAL 65 HN VAL 65 -23.686 3.883 -1.932 484 HA VAL 65 HA VAL 65 -25.374 4.355 -3.320 485 HB VAL 65 HB VAL 65 -24.594 5.003 -5.578 486 HG11 VAL 65 HG11 VAL 65 -24.274 6.496 -3.704 487 HG12 VAL 65 HG12 VAL 65 -22.910 6.625 -4.814 488 HG13 VAL 65 HG13 VAL 65 -22.743 5.713 -3.313 489 HG21 VAL 65 HG21 VAL 65 -22.208 4.730 -6.178 490 HG22 VAL 65 HG22 VAL 65 -23.029 3.173 -6.053 491 HG23 VAL 65 HG23 VAL 65 -21.978 3.719 -4.748 492 H LEU 66 HN LEU 66 -26.054 1.983 -2.781 493 HA LEU 66 HA LEU 66 -26.136 0.207 -5.060 494 HB2 LEU 66 HB2 LEU 66 -25.708 -0.592 -2.764 495 HB3 LEU 66 HB1 LEU 66 -27.290 -0.037 -2.277 496 HG LEU 66 HG LEU 66 -28.277 -1.691 -3.861 497 HD11 LEU 66 HD11 LEU 66 -26.381 -1.987 -5.353 498 HD12 LEU 66 HD12 LEU 66 -26.867 -3.530 -4.650 499 HD13 LEU 66 HD13 LEU 66 -25.440 -2.691 -4.037 500 HD21 LEU 66 HD21 LEU 66 -27.862 -3.627 -2.411 501 HD22 LEU 66 HD22 LEU 66 -28.139 -2.154 -1.483 502 HD23 LEU 66 HD23 LEU 66 -26.499 -2.779 -1.681 503 H ASN 67 HN ASN 67 -27.884 2.812 -4.152 504 HA ASN 67 HA ASN 67 -29.847 3.684 -4.537 505 HB2 ASN 67 HB2 ASN 67 -29.635 1.861 -6.872 506 HB3 ASN 67 HB1 ASN 67 -31.203 2.582 -6.522 507 HD21 ASN 67 HD21 ASN 67 -27.928 3.208 -7.513 508 HD22 ASN 67 HD22 ASN 67 -28.211 4.838 -8.019 509 H PHE 68 HN PHE 68 -31.519 0.860 -5.672 510 HA PHE 68 HA PHE 68 -32.624 0.458 -3.026 511 HB2 PHE 68 HB2 PHE 68 -34.372 1.313 -5.362 512 HB3 PHE 68 HB1 PHE 68 -34.968 0.727 -3.818 513 HD1 PHE 68 HD2 PHE 68 -34.687 2.102 -1.788 514 HD2 PHE 68 HD1 PHE 68 -33.641 3.553 -5.647 515 HE1 PHE 68 HE2 PHE 68 -34.662 4.400 -0.916 516 HE2 PHE 68 HE1 PHE 68 -33.616 5.850 -4.782 517 HZ PHE 68 HZ PHE 68 -34.122 6.276 -2.410 518 H ASP 69 HN ASP 69 -31.384 -1.443 -3.525 519 HA ASP 69 HA ASP 69 -31.108 -3.609 -4.079 520 HB2 ASP 69 HB2 ASP 69 -34.128 -3.486 -3.967 521 HB3 ASP 69 HB1 ASP 69 -33.276 -4.986 -4.287 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 34.999 6.091 -0.841 2 H2 GLY 1 HT2 GLY 1 34.232 7.294 -1.714 3 H3 GLY 1 HT3 GLY 1 35.034 6.017 -2.526 4 HA2 GLY 1 HA1 GLY 1 32.610 5.744 -2.504 5 HA3 GLY 1 HA2 GLY 1 33.472 4.452 -1.666 6 HA PRO 2 HA PRO 2 30.633 7.166 1.187 7 HB2 PRO 2 HB2 PRO 2 28.174 6.030 0.799 8 HB3 PRO 2 HB1 PRO 2 28.710 7.500 -0.024 9 HG2 PRO 2 HG2 PRO 2 28.672 4.675 -1.012 10 HG3 PRO 2 HG1 PRO 2 28.214 6.162 -1.862 11 HD2 PRO 2 HD2 PRO 2 30.579 4.970 -2.280 12 HD3 PRO 2 HD1 PRO 2 30.411 6.737 -2.298 13 H HIS 3 HN HIS 3 30.569 3.757 0.295 14 HA HIS 3 HA HIS 3 30.472 1.793 1.420 15 HB2 HIS 3 HB2 HIS 3 31.437 3.457 3.773 16 HB3 HIS 3 HB1 HIS 3 31.397 1.699 3.747 17 HD1 HIS 3 HD1 HIS 3 33.620 4.476 3.060 18 HD2 HIS 3 HD2 HIS 3 33.103 0.622 1.602 19 HE1 HIS 3 HE1 HIS 3 35.751 3.890 1.880 20 H MET 4 HN MET 4 28.224 3.792 1.503 21 HA MET 4 HA MET 4 26.616 2.474 3.495 22 HB2 MET 4 HB2 MET 4 27.294 4.505 4.580 23 HB3 MET 4 HB1 MET 4 26.908 5.451 3.154 24 HG2 MET 4 HG2 MET 4 24.551 4.964 3.410 25 HG3 MET 4 HG1 MET 4 24.892 3.923 4.789 26 HE1 MET 4 HE1 MET 4 26.046 6.397 7.507 27 HE2 MET 4 HE2 MET 4 27.087 5.556 6.359 28 HE3 MET 4 HE3 MET 4 25.702 4.721 7.056 29 H ASP 5 HN ASP 5 25.030 1.735 2.562 30 HA ASP 5 HA ASP 5 23.743 3.233 0.397 31 HB2 ASP 5 HB2 ASP 5 24.822 1.153 -0.479 32 HB3 ASP 5 HB1 ASP 5 23.812 0.216 0.615 33 H VAL 6 HN VAL 6 21.958 3.978 1.137 34 HA VAL 6 HA VAL 6 20.108 2.273 2.643 35 HB VAL 6 HB VAL 6 20.436 5.265 3.175 36 HG11 VAL 6 HG11 VAL 6 18.261 4.335 3.746 37 HG12 VAL 6 HG12 VAL 6 19.126 4.829 5.201 38 HG13 VAL 6 HG13 VAL 6 19.032 3.123 4.770 39 HG21 VAL 6 HG21 VAL 6 21.590 3.053 4.878 40 HG22 VAL 6 HG22 VAL 6 21.545 4.758 5.315 41 HG23 VAL 6 HG23 VAL 6 22.510 4.227 3.937 42 H HIS 7 HN HIS 7 20.442 2.458 0.010 43 HA HIS 7 HA HIS 7 18.630 4.481 -0.772 44 HB2 HIS 7 HB2 HIS 7 20.294 2.624 -2.472 45 HB3 HIS 7 HB1 HIS 7 19.166 3.788 -3.159 46 HD1 HIS 7 HD1 HIS 7 19.949 6.257 -3.238 47 HD2 HIS 7 HD2 HIS 7 22.579 3.714 -1.277 48 HE1 HIS 7 HE1 HIS 7 22.074 7.565 -2.916 49 H LYS 8 HN LYS 8 18.390 1.651 0.411 50 HA LYS 8 HA LYS 8 16.042 0.873 -1.129 51 HB2 LYS 8 HB2 LYS 8 17.610 -0.699 0.930 52 HB3 LYS 8 HB1 LYS 8 16.106 -1.251 0.212 53 HG2 LYS 8 HG2 LYS 8 18.666 -0.693 -1.269 54 HG3 LYS 8 HG1 LYS 8 18.029 -2.288 -0.859 55 HD2 LYS 8 HD2 LYS 8 16.041 -1.841 -2.238 56 HD3 LYS 8 HD1 LYS 8 16.676 -0.248 -2.641 57 HE2 LYS 8 HE2 LYS 8 17.108 -1.746 -4.456 58 HE3 LYS 8 HE1 LYS 8 18.636 -1.347 -3.679 59 HZ1 LYS 8 HZ1 LYS 8 18.481 -3.490 -2.482 60 HZ2 LYS 8 HZ2 LYS 8 18.576 -3.654 -4.143 61 HZ3 LYS 8 HZ3 LYS 8 17.082 -3.853 -3.373 62 H LYS 9 HN LYS 9 14.693 2.409 -0.434 63 HA LYS 9 HA LYS 9 13.729 2.082 2.329 64 HB2 LYS 9 HB2 LYS 9 13.502 4.485 0.536 65 HB3 LYS 9 HB1 LYS 9 12.902 4.337 2.175 66 HG2 LYS 9 HG2 LYS 9 15.208 4.233 2.989 67 HG3 LYS 9 HG1 LYS 9 15.785 4.432 1.323 68 HD2 LYS 9 HD2 LYS 9 14.553 6.451 1.118 69 HD3 LYS 9 HD1 LYS 9 13.977 6.340 2.786 70 HE2 LYS 9 HE2 LYS 9 15.791 7.879 2.811 71 HE3 LYS 9 HE1 LYS 9 16.430 6.375 3.467 72 HZ1 LYS 9 HZ1 LYS 9 16.728 7.306 0.680 73 HZ2 LYS 9 HZ2 LYS 9 17.444 5.912 1.300 74 HZ3 LYS 9 HZ3 LYS 9 17.905 7.437 1.854 75 H CYS 10 HN CYS 10 11.624 1.773 2.483 76 HA CYS 10 HA CYS 10 10.047 0.997 0.216 77 HB2 CYS 10 HB2 CYS 10 9.707 0.287 2.626 78 HB3 CYS 10 HB1 CYS 10 9.210 1.905 2.971 79 HA PRO 11 HA PRO 11 9.869 5.438 -0.715 80 HB2 PRO 11 HB2 PRO 11 8.439 5.251 -3.048 81 HB3 PRO 11 HB1 PRO 11 10.182 5.001 -2.945 82 HG2 PRO 11 HG2 PRO 11 7.993 2.973 -3.115 83 HG3 PRO 11 HG1 PRO 11 9.614 2.947 -3.819 84 HD2 PRO 11 HD2 PRO 11 8.890 1.552 -1.590 85 HD3 PRO 11 HD1 PRO 11 10.548 2.089 -1.918 86 H LEU 12 HN LEU 12 7.401 3.361 -0.044 87 HA LEU 12 HA LEU 12 5.284 5.303 -0.327 88 HB2 LEU 12 HB2 LEU 12 5.077 2.488 0.673 89 HB3 LEU 12 HB1 LEU 12 3.833 3.466 -0.089 90 HG LEU 12 HG LEU 12 6.277 2.346 -1.442 91 HD11 LEU 12 HD11 LEU 12 3.403 1.630 -1.642 92 HD12 LEU 12 HD12 LEU 12 4.746 0.634 -1.056 93 HD13 LEU 12 HD13 LEU 12 4.647 1.092 -2.761 94 HD21 LEU 12 HD21 LEU 12 5.284 3.170 -3.527 95 HD22 LEU 12 HD22 LEU 12 5.791 4.459 -2.435 96 HD23 LEU 12 HD23 LEU 12 4.074 4.058 -2.590 97 H CYS 13 HN CYS 13 7.365 4.110 2.195 98 HA CYS 13 HA CYS 13 5.859 5.839 4.038 99 HB2 CYS 13 HB2 CYS 13 6.167 4.375 5.929 100 HB3 CYS 13 HB1 CYS 13 5.187 3.629 4.661 101 H GLU 14 HN GLU 14 8.784 4.908 2.823 102 HA GLU 14 HA GLU 14 10.803 5.673 2.897 103 HB2 GLU 14 HB2 GLU 14 9.799 7.674 4.921 104 HB3 GLU 14 HB1 GLU 14 11.423 7.698 4.253 105 HG2 GLU 14 HG2 GLU 14 10.479 7.984 2.007 106 HG3 GLU 14 HG1 GLU 14 8.861 7.999 2.706 107 H LEU 15 HN LEU 15 9.710 3.669 4.832 108 HA LEU 15 HA LEU 15 11.617 3.572 6.968 109 HB2 LEU 15 HB2 LEU 15 9.417 2.275 6.867 110 HB3 LEU 15 HB1 LEU 15 10.152 1.265 5.645 111 HG LEU 15 HG LEU 15 11.390 1.443 8.387 112 HD11 LEU 15 HD11 LEU 15 9.166 -0.414 7.544 113 HD12 LEU 15 HD12 LEU 15 9.027 0.906 8.711 114 HD13 LEU 15 HD13 LEU 15 10.068 -0.476 9.058 115 HD21 LEU 15 HD21 LEU 15 12.662 0.328 6.618 116 HD22 LEU 15 HD22 LEU 15 11.283 -0.724 6.287 117 HD23 LEU 15 HD23 LEU 15 12.119 -0.831 7.832 118 H MET 16 HN MET 16 13.538 2.689 7.083 119 HA MET 16 HA MET 16 14.941 2.544 4.524 120 HB2 MET 16 HB2 MET 16 15.812 3.045 7.327 121 HB3 MET 16 HB1 MET 16 16.928 3.013 5.954 122 HG2 MET 16 HG2 MET 16 15.735 4.937 5.009 123 HG3 MET 16 HG1 MET 16 14.643 4.933 6.390 124 HE1 MET 16 HE1 MET 16 15.396 5.437 8.875 125 HE2 MET 16 HE2 MET 16 17.040 5.862 9.343 126 HE3 MET 16 HE3 MET 16 16.681 4.228 8.792 127 H PHE 17 HN PHE 17 15.979 0.751 3.900 128 HA PHE 17 HA PHE 17 16.137 -1.526 5.759 129 HB2 PHE 17 HB2 PHE 17 16.097 -1.575 2.730 130 HB3 PHE 17 HB1 PHE 17 16.020 -2.956 3.807 131 HD1 PHE 17 HD2 PHE 17 13.949 -3.297 5.177 132 HD2 PHE 17 HD1 PHE 17 14.205 -0.431 2.065 133 HE1 PHE 17 HE2 PHE 17 11.489 -3.191 5.051 134 HE2 PHE 17 HE1 PHE 17 11.771 -0.327 1.945 135 HZ PHE 17 HZ PHE 17 10.416 -1.696 3.417 136 HA PRO 18 HA PRO 18 20.512 -1.314 4.743 137 HB2 PRO 18 HB2 PRO 18 21.270 -3.882 5.212 138 HB3 PRO 18 HB1 PRO 18 20.921 -2.755 6.525 139 HG2 PRO 18 HG2 PRO 18 19.255 -4.961 5.433 140 HG3 PRO 18 HG1 PRO 18 19.398 -4.380 7.097 141 HD2 PRO 18 HD2 PRO 18 17.315 -3.762 5.379 142 HD3 PRO 18 HD1 PRO 18 17.762 -2.819 6.808 143 HA PRO 19 HA PRO 19 20.708 -2.570 0.474 144 HB2 PRO 19 HB2 PRO 19 23.347 -3.073 0.142 145 HB3 PRO 19 HB1 PRO 19 22.688 -1.440 0.272 146 HG2 PRO 19 HG2 PRO 19 24.011 -3.120 2.371 147 HG3 PRO 19 HG1 PRO 19 24.234 -1.396 2.030 148 HD2 PRO 19 HD2 PRO 19 22.705 -2.268 4.062 149 HD3 PRO 19 HD1 PRO 19 22.285 -0.808 3.139 150 H ASN 20 HN ASN 20 21.797 -4.770 2.849 151 HA ASN 20 HA ASN 20 21.904 -6.760 0.783 152 HB2 ASN 20 HB2 ASN 20 22.934 -6.868 3.624 153 HB3 ASN 20 HB1 ASN 20 22.938 -8.271 2.564 154 HD21 ASN 20 HD21 ASN 20 24.408 -8.329 0.861 155 HD22 ASN 20 HD22 ASN 20 25.735 -7.233 0.744 156 H TYR 21 HN TYR 21 19.390 -5.574 2.135 157 HA TYR 21 HA TYR 21 18.181 -7.736 3.454 158 HB2 TYR 21 HB2 TYR 21 17.694 -5.611 4.180 159 HB3 TYR 21 HB1 TYR 21 17.429 -4.952 2.566 160 HD1 TYR 21 HD1 TYR 21 16.077 -6.859 5.367 161 HD2 TYR 21 HD2 TYR 21 15.314 -5.183 1.593 162 HE1 TYR 21 HE1 TYR 21 13.642 -7.087 5.799 163 HE2 TYR 21 HE2 TYR 21 12.864 -5.389 1.964 164 HH TYR 21 HH TYR 21 11.277 -6.660 3.338 165 H ASP 22 HN ASP 22 16.400 -8.657 2.670 166 HA ASP 22 HA ASP 22 16.605 -9.796 0.079 167 HB2 ASP 22 HB2 ASP 22 14.401 -9.942 2.106 168 HB3 ASP 22 HB1 ASP 22 14.304 -10.771 0.561 169 H GLN 23 HN GLN 23 16.151 -8.967 -1.634 170 HA GLN 23 HA GLN 23 14.686 -6.632 -2.141 171 HB2 GLN 23 HB2 GLN 23 15.586 -8.899 -3.783 172 HB3 GLN 23 HB1 GLN 23 14.652 -7.588 -4.493 173 HG2 GLN 23 HG2 GLN 23 16.465 -6.043 -3.582 174 HG3 GLN 23 HG1 GLN 23 17.357 -7.498 -3.148 175 HE21 GLN 23 HE21 GLN 23 16.153 -5.558 -5.733 176 HE22 GLN 23 HE22 GLN 23 17.140 -6.225 -6.976 177 H SER 24 HN SER 24 13.825 -9.977 -2.144 178 HA SER 24 HA SER 24 11.370 -9.777 -3.394 179 HB2 SER 24 HB2 SER 24 11.026 -11.965 -2.067 180 HB3 SER 24 HB1 SER 24 12.380 -11.889 -3.203 181 HG SER 24 HG SER 24 12.876 -12.685 -1.039 182 H LYS 25 HN LYS 25 12.396 -9.793 -0.035 183 HA LYS 25 HA LYS 25 9.859 -9.363 1.164 184 HB2 LYS 25 HB2 LYS 25 12.651 -9.044 2.184 185 HB3 LYS 25 HB1 LYS 25 11.249 -8.779 3.211 186 HG2 LYS 25 HG2 LYS 25 11.896 -11.351 1.782 187 HG3 LYS 25 HG1 LYS 25 12.221 -11.023 3.488 188 HD2 LYS 25 HD2 LYS 25 9.862 -10.766 3.932 189 HD3 LYS 25 HD1 LYS 25 9.476 -10.931 2.226 190 HE2 LYS 25 HE2 LYS 25 10.355 -13.217 2.263 191 HE3 LYS 25 HE1 LYS 25 10.678 -13.055 3.989 192 HZ1 LYS 25 HZ1 LYS 25 8.535 -14.161 3.452 193 HZ2 LYS 25 HZ2 LYS 25 7.994 -12.698 2.778 194 HZ3 LYS 25 HZ3 LYS 25 8.367 -12.791 4.410 195 H PHE 26 HN PHE 26 12.203 -7.247 -0.161 196 HA PHE 26 HA PHE 26 11.300 -4.803 0.900 197 HB2 PHE 26 HB2 PHE 26 13.366 -4.921 -0.386 198 HB3 PHE 26 HB1 PHE 26 12.505 -5.502 -1.788 199 HD1 PHE 26 HD2 PHE 26 12.272 -2.547 0.499 200 HD2 PHE 26 HD1 PHE 26 12.237 -4.003 -3.498 201 HE1 PHE 26 HE2 PHE 26 11.951 -0.258 -0.329 202 HE2 PHE 26 HE1 PHE 26 11.900 -1.712 -4.330 203 HZ PHE 26 HZ PHE 26 11.756 0.166 -2.743 204 H GLU 27 HN GLU 27 10.320 -6.758 -1.832 205 HA GLU 27 HA GLU 27 8.345 -4.919 -2.686 206 HB2 GLU 27 HB2 GLU 27 8.683 -7.829 -3.375 207 HB3 GLU 27 HB1 GLU 27 7.570 -6.723 -4.160 208 HG2 GLU 27 HG2 GLU 27 9.658 -5.332 -4.695 209 HG3 GLU 27 HG1 GLU 27 10.545 -6.796 -4.277 210 H GLU 28 HN GLU 28 8.467 -7.725 -0.652 211 HA GLU 28 HA GLU 28 5.615 -7.929 -0.245 212 HB2 GLU 28 HB2 GLU 28 7.752 -8.805 1.685 213 HB3 GLU 28 HB1 GLU 28 6.104 -9.412 1.550 214 HG2 GLU 28 HG2 GLU 28 6.837 -10.112 -0.855 215 HG3 GLU 28 HG1 GLU 28 8.417 -9.836 -0.255 216 H HIS 29 HN HIS 29 7.883 -5.817 1.011 217 HA HIS 29 HA HIS 29 5.911 -5.070 2.827 218 HB2 HIS 29 HB2 HIS 29 8.225 -4.826 3.601 219 HB3 HIS 29 HB1 HIS 29 8.617 -3.803 2.239 220 HD1 HIS 29 HD1 HIS 29 9.509 -2.457 4.591 221 HD2 HIS 29 HD2 HIS 29 5.487 -2.389 3.685 222 HE1 HIS 29 HE1 HIS 29 8.587 -0.323 5.621 223 H VAL 30 HN VAL 30 7.232 -3.915 -0.245 224 HA VAL 30 HA VAL 30 5.735 -1.501 -0.422 225 HB VAL 30 HB VAL 30 6.865 -3.183 -2.707 226 HG11 VAL 30 HG11 VAL 30 6.800 -1.149 -4.027 227 HG12 VAL 30 HG12 VAL 30 6.185 -0.253 -2.650 228 HG13 VAL 30 HG13 VAL 30 5.173 -1.489 -3.414 229 HG21 VAL 30 HG21 VAL 30 8.080 -0.851 -1.230 230 HG22 VAL 30 HG22 VAL 30 8.768 -1.648 -2.643 231 HG23 VAL 30 HG23 VAL 30 8.595 -2.536 -1.128 232 H GLU 31 HN GLU 31 5.056 -4.760 -1.607 233 HA GLU 31 HA GLU 31 2.580 -4.379 -2.891 234 HB2 GLU 31 HB2 GLU 31 3.514 -6.743 -1.245 235 HB3 GLU 31 HB1 GLU 31 2.151 -6.751 -2.341 236 HG2 GLU 31 HG2 GLU 31 4.978 -6.232 -3.213 237 HG3 GLU 31 HG1 GLU 31 4.252 -7.830 -3.172 238 H SER 32 HN SER 32 3.434 -4.526 0.502 239 HA SER 32 HA SER 32 0.736 -4.909 1.369 240 HB2 SER 32 HB2 SER 32 3.228 -4.190 2.908 241 HB3 SER 32 HB1 SER 32 1.669 -4.563 3.649 242 HG SER 32 HG SER 32 3.493 -6.237 2.349 243 H HIS 33 HN HIS 33 2.451 -2.223 0.281 244 HA HIS 33 HA HIS 33 0.763 -0.365 1.738 245 HB2 HIS 33 HB2 HIS 33 3.071 -0.031 -0.082 246 HB3 HIS 33 HB1 HIS 33 1.960 1.315 0.150 247 HD1 HIS 33 HD1 HIS 33 2.331 2.706 2.242 248 HD2 HIS 33 HD2 HIS 33 4.266 -0.942 2.331 249 HE1 HIS 33 HE1 HIS 33 3.678 2.715 4.338 250 H TRP 34 HN TRP 34 0.975 -1.897 -1.362 251 HA TRP 34 HA TRP 34 -0.925 -0.445 -2.754 252 HB2 TRP 34 HB2 TRP 34 0.078 -3.318 -2.753 253 HB3 TRP 34 HB1 TRP 34 -1.200 -2.734 -3.847 254 HD1 TRP 34 HD1 TRP 34 2.145 -1.137 -2.885 255 HE1 TRP 34 HE1 TRP 34 3.379 -0.851 -5.037 256 HE3 TRP 34 HE3 TRP 34 -1.142 -3.305 -5.784 257 HZ2 TRP 34 HZ2 TRP 34 3.013 -1.506 -7.810 258 HZ3 TRP 34 HZ3 TRP 34 -0.749 -3.515 -8.245 259 HH2 TRP 34 HH2 TRP 34 1.338 -2.608 -9.235 260 H LYS 35 HN LYS 35 -2.761 -0.105 -2.320 261 HA LYS 35 HA LYS 35 -3.891 -0.886 0.160 262 HB2 LYS 35 HB2 LYS 35 -5.033 0.838 -2.031 263 HB3 LYS 35 HB1 LYS 35 -5.745 0.640 -0.439 264 HG2 LYS 35 HG2 LYS 35 -3.021 1.818 -0.984 265 HG3 LYS 35 HG1 LYS 35 -4.495 2.752 -0.715 266 HD2 LYS 35 HD2 LYS 35 -4.711 1.765 1.512 267 HD3 LYS 35 HD1 LYS 35 -3.259 0.814 1.235 268 HE2 LYS 35 HE2 LYS 35 -3.392 3.828 1.298 269 HE3 LYS 35 HE1 LYS 35 -2.815 2.805 2.606 270 HZ1 LYS 35 HZ1 LYS 35 -0.948 3.593 1.425 271 HZ2 LYS 35 HZ2 LYS 35 -1.602 3.166 -0.065 272 HZ3 LYS 35 HZ3 LYS 35 -1.108 1.963 1.017 273 H VAL 36 HN VAL 36 -4.325 -2.648 0.453 274 HA VAL 36 HA VAL 36 -6.047 -4.044 -1.375 275 HB VAL 36 HB VAL 36 -4.001 -5.071 -0.615 276 HG11 VAL 36 HG11 VAL 36 -3.784 -6.031 1.638 277 HG12 VAL 36 HG12 VAL 36 -5.190 -5.069 2.125 278 HG13 VAL 36 HG13 VAL 36 -3.721 -4.271 1.550 279 HG21 VAL 36 HG21 VAL 36 -6.489 -6.552 0.234 280 HG22 VAL 36 HG22 VAL 36 -4.920 -7.312 -0.048 281 HG23 VAL 36 HG23 VAL 36 -5.774 -6.528 -1.377 282 H CYS 37 HN CYS 37 -8.057 -4.302 -1.098 283 HA CYS 37 HA CYS 37 -9.446 -3.390 1.268 284 HB2 CYS 37 HB2 CYS 37 -10.117 -2.875 -1.136 285 HB3 CYS 37 HB1 CYS 37 -10.263 -4.577 -1.343 286 HA PRO 38 HA PRO 38 -8.999 -7.666 2.669 287 HB2 PRO 38 HB2 PRO 38 -11.098 -7.610 4.506 288 HB3 PRO 38 HB1 PRO 38 -9.436 -7.133 4.853 289 HG2 PRO 38 HG2 PRO 38 -11.808 -5.445 4.257 290 HG3 PRO 38 HG1 PRO 38 -10.424 -5.105 5.310 291 HD2 PRO 38 HD2 PRO 38 -10.759 -4.031 2.818 292 HD3 PRO 38 HD1 PRO 38 -9.151 -4.281 3.546 293 H MET 39 HN MET 39 -12.153 -6.336 2.058 294 HA MET 39 HA MET 39 -13.391 -8.871 1.601 295 HB2 MET 39 HB2 MET 39 -14.274 -6.044 1.478 296 HB3 MET 39 HB1 MET 39 -15.307 -7.315 0.856 297 HG2 MET 39 HG2 MET 39 -15.589 -8.326 2.939 298 HG3 MET 39 HG1 MET 39 -14.146 -7.568 3.599 299 HE1 MET 39 HE1 MET 39 -14.075 -5.371 4.824 300 HE2 MET 39 HE2 MET 39 -15.239 -4.067 4.598 301 HE3 MET 39 HE3 MET 39 -14.253 -4.612 3.241 302 H CYS 40 HN CYS 40 -11.879 -6.492 -0.495 303 HA CYS 40 HA CYS 40 -13.046 -7.810 -2.841 304 HB2 CYS 40 HB2 CYS 40 -11.613 -5.354 -2.262 305 HB3 CYS 40 HB1 CYS 40 -11.406 -5.974 -3.933 306 H SER 41 HN SER 41 -10.191 -7.712 -0.910 307 HA SER 41 HA SER 41 -8.172 -8.360 -1.065 308 HB2 SER 41 HB2 SER 41 -7.771 -10.674 -2.007 309 HB3 SER 41 HB1 SER 41 -9.002 -10.576 -0.764 310 HG SER 41 HG SER 41 -10.092 -10.241 -3.197 311 H GLU 42 HN GLU 42 -8.860 -6.379 -2.863 312 HA GLU 42 HA GLU 42 -7.113 -6.856 -5.063 313 HB2 GLU 42 HB2 GLU 42 -9.564 -5.178 -4.654 314 HB3 GLU 42 HB1 GLU 42 -8.357 -4.799 -5.863 315 HG2 GLU 42 HG2 GLU 42 -8.729 -6.888 -6.939 316 HG3 GLU 42 HG1 GLU 42 -9.898 -7.376 -5.705 317 H GLN 43 HN GLN 43 -5.822 -5.668 -5.282 318 HA GLN 43 HA GLN 43 -4.859 -3.803 -3.162 319 HB2 GLN 43 HB2 GLN 43 -3.519 -5.356 -5.307 320 HB3 GLN 43 HB1 GLN 43 -2.635 -4.296 -4.175 321 HG2 GLN 43 HG2 GLN 43 -3.641 -5.888 -2.396 322 HG3 GLN 43 HG1 GLN 43 -4.049 -6.901 -3.754 323 HE21 GLN 43 HE21 GLN 43 -1.350 -5.534 -1.991 324 HE22 GLN 43 HE22 GLN 43 -0.190 -6.642 -2.600 325 H PHE 44 HN PHE 44 -4.878 -1.847 -3.671 326 HA PHE 44 HA PHE 44 -5.011 -0.956 -6.440 327 HB2 PHE 44 HB2 PHE 44 -5.642 0.313 -3.800 328 HB3 PHE 44 HB1 PHE 44 -5.628 1.230 -5.293 329 HD1 PHE 44 HD1 PHE 44 -7.394 0.704 -7.019 330 HD2 PHE 44 HD2 PHE 44 -7.410 -1.138 -3.187 331 HE1 PHE 44 HE1 PHE 44 -9.714 -0.028 -7.381 332 HE2 PHE 44 HE2 PHE 44 -9.731 -1.864 -3.540 333 HZ PHE 44 HZ PHE 44 -10.885 -1.308 -5.638 334 HA PRO 45 HA PRO 45 -0.820 0.453 -6.285 335 HB2 PRO 45 HB2 PRO 45 -0.977 2.927 -7.445 336 HB3 PRO 45 HB1 PRO 45 -1.080 1.425 -8.368 337 HG2 PRO 45 HG2 PRO 45 -3.311 3.141 -7.317 338 HG3 PRO 45 HG1 PRO 45 -3.110 2.489 -8.951 339 HD2 PRO 45 HD2 PRO 45 -4.724 1.287 -7.243 340 HD3 PRO 45 HD1 PRO 45 -3.642 0.306 -8.258 341 HA PRO 46 HA PRO 46 -0.272 3.128 -2.671 342 HB2 PRO 46 HB2 PRO 46 2.108 4.228 -4.028 343 HB3 PRO 46 HB1 PRO 46 1.995 3.414 -2.468 344 HG2 PRO 46 HG2 PRO 46 3.087 2.210 -4.575 345 HG3 PRO 46 HG1 PRO 46 2.127 1.322 -3.386 346 HD2 PRO 46 HD2 PRO 46 1.400 2.167 -6.148 347 HD3 PRO 46 HD1 PRO 46 0.956 0.713 -5.225 348 H ASP 47 HN ASP 47 -0.360 4.219 -5.857 349 HA ASP 47 HA ASP 47 -0.429 7.056 -5.408 350 HB2 ASP 47 HB2 ASP 47 0.407 6.139 -7.510 351 HB3 ASP 47 HB1 ASP 47 -1.137 5.364 -7.808 352 H TYR 48 HN TYR 48 -2.674 4.595 -4.819 353 HA TYR 48 HA TYR 48 -4.985 5.877 -5.722 354 HB2 TYR 48 HB2 TYR 48 -4.367 3.321 -5.198 355 HB3 TYR 48 HB1 TYR 48 -5.037 3.784 -3.637 356 HD1 TYR 48 HD1 TYR 48 -5.780 4.027 -7.251 357 HD2 TYR 48 HD2 TYR 48 -7.311 3.552 -3.332 358 HE1 TYR 48 HE1 TYR 48 -7.986 3.670 -8.186 359 HE2 TYR 48 HE2 TYR 48 -9.568 3.194 -4.247 360 HH TYR 48 HH TYR 48 -10.071 2.601 -7.567 361 H ASP 49 HN ASP 49 -6.051 7.134 -4.662 362 HA ASP 49 HA ASP 49 -4.993 8.747 -2.652 363 HB2 ASP 49 HB2 ASP 49 -6.700 9.249 -4.595 364 HB3 ASP 49 HB1 ASP 49 -7.833 8.644 -3.444 365 H GLN 50 HN GLN 50 -5.419 8.804 -0.664 366 HA GLN 50 HA GLN 50 -6.402 6.592 0.773 367 HB2 GLN 50 HB2 GLN 50 -5.822 9.408 1.681 368 HB3 GLN 50 HB1 GLN 50 -6.439 8.182 2.769 369 HG2 GLN 50 HG2 GLN 50 -3.986 7.660 1.152 370 HG3 GLN 50 HG1 GLN 50 -3.901 8.592 2.644 371 HE21 GLN 50 HE21 GLN 50 -6.244 5.967 2.354 372 HE22 GLN 50 HE22 GLN 50 -5.422 4.926 3.429 373 H GLN 51 HN GLN 51 -7.970 9.553 -0.210 374 HA GLN 51 HA GLN 51 -10.276 9.012 1.384 375 HB2 GLN 51 HB2 GLN 51 -9.883 10.975 -0.873 376 HB3 GLN 51 HB1 GLN 51 -11.311 10.893 0.147 377 HG2 GLN 51 HG2 GLN 51 -8.519 11.544 1.084 378 HG3 GLN 51 HG1 GLN 51 -9.793 12.711 0.764 379 HE21 GLN 51 HE21 GLN 51 -9.834 13.495 2.808 380 HE22 GLN 51 HE22 GLN 51 -10.445 12.623 4.170 381 H VAL 52 HN VAL 52 -9.175 8.239 -1.861 382 HA VAL 52 HA VAL 52 -11.778 7.465 -2.713 383 HB VAL 52 HB VAL 52 -9.003 6.923 -3.847 384 HG11 VAL 52 HG11 VAL 52 -10.072 6.262 -5.880 385 HG12 VAL 52 HG12 VAL 52 -11.675 6.378 -5.130 386 HG13 VAL 52 HG13 VAL 52 -10.505 5.157 -4.581 387 HG21 VAL 52 HG21 VAL 52 -11.177 8.768 -4.769 388 HG22 VAL 52 HG22 VAL 52 -9.597 8.534 -5.521 389 HG23 VAL 52 HG23 VAL 52 -9.716 9.245 -3.906 390 H PHE 53 HN PHE 53 -8.966 5.949 -1.312 391 HA PHE 53 HA PHE 53 -9.946 3.292 -1.578 392 HB2 PHE 53 HB2 PHE 53 -7.532 3.704 -1.457 393 HB3 PHE 53 HB1 PHE 53 -7.727 4.371 0.151 394 HD1 PHE 53 HD2 PHE 53 -8.666 1.249 -1.676 395 HD2 PHE 53 HD1 PHE 53 -7.176 3.026 1.889 396 HE1 PHE 53 HE2 PHE 53 -8.406 -0.986 -0.683 397 HE2 PHE 53 HE1 PHE 53 -6.914 0.788 2.894 398 HZ PHE 53 HZ PHE 53 -7.529 -1.216 1.608 399 H GLU 54 HN GLU 54 -9.806 5.623 1.118 400 HA GLU 54 HA GLU 54 -10.746 3.741 3.014 401 HB2 GLU 54 HB2 GLU 54 -10.939 6.748 3.093 402 HB3 GLU 54 HB1 GLU 54 -11.295 5.676 4.439 403 HG2 GLU 54 HG2 GLU 54 -8.624 6.048 3.104 404 HG3 GLU 54 HG1 GLU 54 -9.115 6.651 4.679 405 H ARG 55 HN ARG 55 -12.389 5.977 0.892 406 HA ARG 55 HA ARG 55 -14.964 5.462 2.016 407 HB2 ARG 55 HB2 ARG 55 -14.031 6.839 -0.456 408 HB3 ARG 55 HB1 ARG 55 -15.715 6.371 -0.343 409 HG2 ARG 55 HG2 ARG 55 -15.338 8.726 0.305 410 HG3 ARG 55 HG1 ARG 55 -16.024 7.773 1.612 411 HD2 ARG 55 HD2 ARG 55 -13.907 7.672 2.732 412 HD3 ARG 55 HD1 ARG 55 -13.093 8.368 1.332 413 HE ARG 55 HE ARG 55 -14.752 10.298 1.859 414 HH11 ARG 55 HH11 ARG 55 -13.107 8.416 4.368 415 HH12 ARG 55 HH12 ARG 55 -12.702 9.774 5.312 416 HH21 ARG 55 HH21 ARG 55 -14.221 12.173 3.209 417 HH22 ARG 55 HH22 ARG 55 -13.340 11.946 4.630 418 H HIS 56 HN HIS 56 -13.119 4.122 -0.672 419 HA HIS 56 HA HIS 56 -15.017 2.378 -1.697 420 HB2 HIS 56 HB2 HIS 56 -12.908 2.622 -2.848 421 HB3 HIS 56 HB1 HIS 56 -12.008 2.099 -1.436 422 HD1 HIS 56 HD1 HIS 56 -14.306 0.618 -4.139 423 HD2 HIS 56 HD2 HIS 56 -11.451 -0.551 -1.344 424 HE1 HIS 56 HE1 HIS 56 -13.814 -1.836 -4.585 425 H VAL 57 HN VAL 57 -12.811 1.950 1.024 426 HA VAL 57 HA VAL 57 -13.552 -0.740 1.542 427 HB VAL 57 HB VAL 57 -12.229 1.324 3.335 428 HG11 VAL 57 HG11 VAL 57 -13.278 -0.399 4.695 429 HG12 VAL 57 HG12 VAL 57 -11.522 -0.556 4.736 430 HG13 VAL 57 HG13 VAL 57 -12.486 -1.660 3.748 431 HG21 VAL 57 HG21 VAL 57 -10.184 0.097 2.819 432 HG22 VAL 57 HG22 VAL 57 -10.950 0.741 1.363 433 HG23 VAL 57 HG23 VAL 57 -11.101 -0.973 1.761 434 H GLN 58 HN GLN 58 -14.582 2.350 2.730 435 HA GLN 58 HA GLN 58 -16.289 1.426 4.706 436 HB2 GLN 58 HB2 GLN 58 -16.081 3.948 3.211 437 HB3 GLN 58 HB1 GLN 58 -17.404 3.747 4.382 438 HG2 GLN 58 HG2 GLN 58 -14.434 3.607 4.889 439 HG3 GLN 58 HG1 GLN 58 -15.536 4.886 5.403 440 HE21 GLN 58 HE21 GLN 58 -14.525 1.583 5.950 441 HE22 GLN 58 HE22 GLN 58 -15.264 1.439 7.500 442 H THR 59 HN THR 59 -16.833 1.680 1.280 443 HA THR 59 HA THR 59 -19.651 1.501 1.546 444 HB THR 59 HB THR 59 -19.742 1.009 -0.892 445 HG1 THR 59 HG1 THR 59 -16.900 0.896 -0.626 446 HG21 THR 59 HG21 THR 59 -17.935 3.292 -0.129 447 HG22 THR 59 HG22 THR 59 -19.700 3.314 -0.141 448 HG23 THR 59 HG23 THR 59 -18.808 3.153 -1.659 449 H HIS 60 HN HIS 60 -17.134 -0.748 1.767 450 HA HIS 60 HA HIS 60 -18.757 -3.055 1.147 451 HB2 HIS 60 HB2 HIS 60 -16.011 -2.830 2.415 452 HB3 HIS 60 HB1 HIS 60 -16.807 -4.360 2.083 453 HD1 HIS 60 HD1 HIS 60 -16.226 -5.371 -0.171 454 HD2 HIS 60 HD2 HIS 60 -15.641 -1.262 -0.027 455 HE1 HIS 60 HE1 HIS 60 -14.997 -4.713 -2.319 456 H PHE 61 HN PHE 61 -18.003 -1.091 3.853 457 HA PHE 61 HA PHE 61 -19.269 -2.936 5.707 458 HB2 PHE 61 HB2 PHE 61 -18.070 -0.180 6.065 459 HB3 PHE 61 HB1 PHE 61 -18.893 -1.037 7.353 460 HD1 PHE 61 HD2 PHE 61 -17.901 -3.037 8.332 461 HD2 PHE 61 HD1 PHE 61 -15.859 -0.776 5.381 462 HE1 PHE 61 HE2 PHE 61 -15.798 -4.143 8.959 463 HE2 PHE 61 HE1 PHE 61 -13.742 -1.880 6.009 464 HZ PHE 61 HZ PHE 61 -13.713 -3.559 7.793 465 H ASP 62 HN ASP 62 -20.007 -0.327 3.636 466 HA ASP 62 HA ASP 62 -22.333 0.636 5.043 467 HB2 ASP 62 HB2 ASP 62 -20.873 2.053 3.555 468 HB3 ASP 62 HB1 ASP 62 -21.485 1.115 2.198 469 H GLN 63 HN GLN 63 -21.785 -0.760 2.032 470 HA GLN 63 HA GLN 63 -22.867 -2.088 0.639 471 HB2 GLN 63 HB2 GLN 63 -23.954 -3.217 3.207 472 HB3 GLN 63 HB1 GLN 63 -24.336 -3.942 1.649 473 HG2 GLN 63 HG2 GLN 63 -21.575 -3.551 2.792 474 HG3 GLN 63 HG1 GLN 63 -22.466 -5.072 2.738 475 HE21 GLN 63 HE21 GLN 63 -23.554 -4.589 0.088 476 HE22 GLN 63 HE22 GLN 63 -22.262 -4.801 -1.021 477 H ASN 64 HN ASN 64 -24.040 0.451 1.301 478 HA ASN 64 HA ASN 64 -25.543 1.742 0.524 479 HB2 ASN 64 HB2 ASN 64 -27.052 -0.666 -0.510 480 HB3 ASN 64 HB1 ASN 64 -27.623 0.989 -0.670 481 HD21 ASN 64 HD21 ASN 64 -25.435 -1.390 -1.826 482 HD22 ASN 64 HD22 ASN 64 -24.765 -0.462 -3.116 483 H VAL 65 HN VAL 65 -25.531 2.110 2.770 484 HA VAL 65 HA VAL 65 -28.127 1.489 3.960 485 HB VAL 65 HB VAL 65 -27.442 2.604 5.999 486 HG11 VAL 65 HG11 VAL 65 -25.498 1.296 6.656 487 HG12 VAL 65 HG12 VAL 65 -25.197 0.913 4.962 488 HG13 VAL 65 HG13 VAL 65 -26.671 0.344 5.742 489 HG21 VAL 65 HG21 VAL 65 -26.268 4.510 5.041 490 HG22 VAL 65 HG22 VAL 65 -24.942 3.462 4.541 491 HG23 VAL 65 HG23 VAL 65 -25.272 3.713 6.256 492 H LEU 66 HN LEU 66 -26.895 3.547 1.956 493 HA LEU 66 HA LEU 66 -28.357 5.949 2.506 494 HB2 LEU 66 HB2 LEU 66 -27.277 4.927 -0.143 495 HB3 LEU 66 HB1 LEU 66 -27.926 6.526 0.118 496 HG LEU 66 HG LEU 66 -25.624 6.772 0.018 497 HD11 LEU 66 HD11 LEU 66 -24.941 7.598 2.201 498 HD12 LEU 66 HD12 LEU 66 -26.330 6.793 2.929 499 HD13 LEU 66 HD13 LEU 66 -26.576 8.094 1.762 500 HD21 LEU 66 HD21 LEU 66 -25.279 4.547 2.025 501 HD22 LEU 66 HD22 LEU 66 -23.979 5.529 1.344 502 HD23 LEU 66 HD23 LEU 66 -24.920 4.463 0.301 503 H ASN 67 HN ASN 67 -30.436 5.880 2.586 504 HA ASN 67 HA ASN 67 -31.753 3.607 1.415 505 HB2 ASN 67 HB2 ASN 67 -32.169 4.031 3.740 506 HB3 ASN 67 HB1 ASN 67 -32.781 5.638 3.366 507 HD21 ASN 67 HD21 ASN 67 -33.421 2.225 3.184 508 HD22 ASN 67 HD22 ASN 67 -35.097 2.368 2.815 509 H PHE 68 HN PHE 68 -32.574 3.669 -0.446 510 HA PHE 68 HA PHE 68 -33.849 6.064 -1.508 511 HB2 PHE 68 HB2 PHE 68 -32.490 4.759 -3.070 512 HB3 PHE 68 HB1 PHE 68 -33.378 3.295 -2.665 513 HD1 PHE 68 HD1 PHE 68 -33.637 6.582 -4.314 514 HD2 PHE 68 HD2 PHE 68 -35.403 2.758 -3.748 515 HE1 PHE 68 HE1 PHE 68 -35.217 7.039 -6.144 516 HE2 PHE 68 HE2 PHE 68 -36.978 3.203 -5.575 517 HZ PHE 68 HZ PHE 68 -36.888 5.342 -6.772 518 H ASP 69 HN ASP 69 -34.469 2.752 -0.578 519 HA ASP 69 HA ASP 69 -37.024 3.233 0.483 520 HB2 ASP 69 HB2 ASP 69 -37.761 3.090 -1.848 521 HB3 ASP 69 HB1 ASP 69 -36.816 1.625 -2.086 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 29.063 5.429 2.409 2 H2 GLY 1 HT2 GLY 1 27.905 4.191 2.495 3 H3 GLY 1 HT3 GLY 1 27.754 5.408 1.350 4 HA2 GLY 1 HA1 GLY 1 29.681 4.678 0.198 5 HA3 GLY 1 HA2 GLY 1 29.954 3.449 1.431 6 HA PRO 2 HA PRO 2 26.602 2.114 -1.612 7 HB2 PRO 2 HB2 PRO 2 27.938 1.638 -4.017 8 HB3 PRO 2 HB1 PRO 2 26.877 3.005 -3.672 9 HG2 PRO 2 HG2 PRO 2 29.710 3.052 -4.079 10 HG3 PRO 2 HG1 PRO 2 28.645 4.406 -3.686 11 HD2 PRO 2 HD2 PRO 2 30.440 2.856 -1.941 12 HD3 PRO 2 HD1 PRO 2 29.744 4.477 -1.713 13 H HIS 3 HN HIS 3 27.021 0.424 -0.095 14 HA HIS 3 HA HIS 3 28.730 -1.745 -0.977 15 HB2 HIS 3 HB2 HIS 3 28.556 -1.337 1.454 16 HB3 HIS 3 HB1 HIS 3 26.815 -1.576 1.382 17 HD1 HIS 3 HD1 HIS 3 26.390 -3.757 2.602 18 HD2 HIS 3 HD2 HIS 3 29.680 -3.951 0.086 19 HE1 HIS 3 HE1 HIS 3 27.168 -6.151 2.660 20 H MET 4 HN MET 4 27.983 -2.601 -2.791 21 HA MET 4 HA MET 4 26.676 -3.788 -4.277 22 HB2 MET 4 HB2 MET 4 24.899 -4.401 -1.894 23 HB3 MET 4 HB1 MET 4 24.861 -5.207 -3.446 24 HG2 MET 4 HG2 MET 4 27.157 -5.307 -1.494 25 HG3 MET 4 HG1 MET 4 25.878 -6.500 -1.585 26 HE1 MET 4 HE1 MET 4 28.357 -4.681 -4.271 27 HE2 MET 4 HE2 MET 4 29.467 -6.036 -4.458 28 HE3 MET 4 HE3 MET 4 29.262 -5.273 -2.884 29 H ASP 5 HN ASP 5 24.149 -2.954 -2.368 30 HA ASP 5 HA ASP 5 23.439 -0.577 -3.761 31 HB2 ASP 5 HB2 ASP 5 22.464 -2.234 -5.322 32 HB3 ASP 5 HB1 ASP 5 21.570 -2.960 -3.987 33 H VAL 6 HN VAL 6 22.849 0.674 -2.203 34 HA VAL 6 HA VAL 6 21.365 -0.362 0.111 35 HB VAL 6 HB VAL 6 23.894 -0.253 0.507 36 HG11 VAL 6 HG11 VAL 6 24.945 1.922 0.843 37 HG12 VAL 6 HG12 VAL 6 23.504 2.700 0.180 38 HG13 VAL 6 HG13 VAL 6 24.469 1.622 -0.831 39 HG21 VAL 6 HG21 VAL 6 22.152 1.521 2.215 40 HG22 VAL 6 HG22 VAL 6 23.752 0.944 2.680 41 HG23 VAL 6 HG23 VAL 6 22.444 -0.210 2.427 42 H HIS 7 HN HIS 7 20.809 0.978 -2.349 43 HA HIS 7 HA HIS 7 20.383 3.601 -1.368 44 HB2 HIS 7 HB2 HIS 7 20.051 2.618 -4.199 45 HB3 HIS 7 HB1 HIS 7 20.045 4.291 -3.658 46 HD1 HIS 7 HD1 HIS 7 22.278 1.512 -4.603 47 HD2 HIS 7 HD2 HIS 7 22.637 5.257 -2.858 48 HE1 HIS 7 HE1 HIS 7 24.759 2.081 -4.652 49 H LYS 8 HN LYS 8 18.885 0.986 -1.137 50 HA LYS 8 HA LYS 8 16.357 1.406 -2.391 51 HB2 LYS 8 HB2 LYS 8 17.322 -0.788 -0.587 52 HB3 LYS 8 HB1 LYS 8 15.717 -0.740 -1.295 53 HG2 LYS 8 HG2 LYS 8 18.318 -0.821 -2.817 54 HG3 LYS 8 HG1 LYS 8 17.223 -2.181 -2.559 55 HD2 LYS 8 HD2 LYS 8 16.523 0.362 -4.075 56 HD3 LYS 8 HD1 LYS 8 16.984 -1.169 -4.799 57 HE2 LYS 8 HE2 LYS 8 15.038 -2.257 -3.869 58 HE3 LYS 8 HE1 LYS 8 14.591 -0.794 -2.999 59 HZ1 LYS 8 HZ1 LYS 8 14.740 -0.999 -5.955 60 HZ2 LYS 8 HZ2 LYS 8 14.156 0.311 -5.068 61 HZ3 LYS 8 HZ3 LYS 8 13.329 -1.138 -5.065 62 H LYS 9 HN LYS 9 15.376 2.912 -1.661 63 HA LYS 9 HA LYS 9 14.644 3.197 1.215 64 HB2 LYS 9 HB2 LYS 9 13.976 5.010 -1.101 65 HB3 LYS 9 HB1 LYS 9 13.906 5.374 0.607 66 HG2 LYS 9 HG2 LYS 9 16.483 4.878 -0.871 67 HG3 LYS 9 HG1 LYS 9 15.766 6.472 -0.672 68 HD2 LYS 9 HD2 LYS 9 16.544 4.643 1.595 69 HD3 LYS 9 HD1 LYS 9 17.548 5.951 0.975 70 HE2 LYS 9 HE2 LYS 9 14.813 6.221 2.238 71 HE3 LYS 9 HE1 LYS 9 16.349 6.679 2.952 72 HZ1 LYS 9 HZ1 LYS 9 15.056 7.950 0.584 73 HZ2 LYS 9 HZ2 LYS 9 16.614 8.331 1.163 74 HZ3 LYS 9 HZ3 LYS 9 15.280 8.605 2.114 75 H CYS 10 HN CYS 10 12.655 2.827 1.799 76 HA CYS 10 HA CYS 10 10.714 1.550 0.236 77 HB2 CYS 10 HB2 CYS 10 10.647 1.799 2.693 78 HB3 CYS 10 HB1 CYS 10 10.364 3.498 2.503 79 HA PRO 11 HA PRO 11 10.169 5.070 -2.495 80 HB2 PRO 11 HB2 PRO 11 7.856 4.081 -3.703 81 HB3 PRO 11 HB1 PRO 11 9.507 3.784 -4.248 82 HG2 PRO 11 HG2 PRO 11 7.700 2.039 -2.653 83 HG3 PRO 11 HG1 PRO 11 8.936 1.598 -3.835 84 HD2 PRO 11 HD2 PRO 11 9.281 1.334 -1.185 85 HD3 PRO 11 HD1 PRO 11 10.623 1.684 -2.293 86 H LEU 12 HN LEU 12 8.023 3.910 -0.160 87 HA LEU 12 HA LEU 12 6.234 6.166 -0.543 88 HB2 LEU 12 HB2 LEU 12 5.788 3.908 1.385 89 HB3 LEU 12 HB1 LEU 12 4.623 5.063 0.795 90 HG LEU 12 HG LEU 12 3.987 3.188 -0.339 91 HD11 LEU 12 HD11 LEU 12 5.975 4.318 -2.266 92 HD12 LEU 12 HD12 LEU 12 4.308 4.835 -2.080 93 HD13 LEU 12 HD13 LEU 12 4.670 3.215 -2.667 94 HD21 LEU 12 HD21 LEU 12 6.853 2.366 -0.695 95 HD22 LEU 12 HD22 LEU 12 5.421 1.462 -1.221 96 HD23 LEU 12 HD23 LEU 12 5.717 1.732 0.496 97 H CYS 13 HN CYS 13 7.857 4.545 2.285 98 HA CYS 13 HA CYS 13 7.385 7.064 3.728 99 HB2 CYS 13 HB2 CYS 13 7.701 5.938 5.783 100 HB3 CYS 13 HB1 CYS 13 6.619 5.012 4.728 101 H GLU 14 HN GLU 14 9.818 5.701 2.136 102 HA GLU 14 HA GLU 14 11.997 6.105 1.833 103 HB2 GLU 14 HB2 GLU 14 11.571 8.415 3.718 104 HB3 GLU 14 HB1 GLU 14 13.070 8.116 2.849 105 HG2 GLU 14 HG2 GLU 14 10.384 8.654 1.647 106 HG3 GLU 14 HG1 GLU 14 11.731 9.781 1.720 107 H LEU 15 HN LEU 15 11.004 4.486 4.258 108 HA LEU 15 HA LEU 15 13.189 4.466 6.035 109 HB2 LEU 15 HB2 LEU 15 10.996 3.297 6.445 110 HB3 LEU 15 HB1 LEU 15 11.418 2.132 5.219 111 HG LEU 15 HG LEU 15 13.143 2.434 7.683 112 HD11 LEU 15 HD11 LEU 15 11.823 0.671 8.723 113 HD12 LEU 15 HD12 LEU 15 10.678 0.733 7.381 114 HD13 LEU 15 HD13 LEU 15 10.860 2.126 8.457 115 HD21 LEU 15 HD21 LEU 15 12.528 0.089 5.877 116 HD22 LEU 15 HD22 LEU 15 13.629 0.076 7.251 117 HD23 LEU 15 HD23 LEU 15 13.999 1.059 5.834 118 H MET 16 HN MET 16 15.143 3.377 5.970 119 HA MET 16 HA MET 16 16.107 2.948 3.296 120 HB2 MET 16 HB2 MET 16 17.198 4.502 4.839 121 HB3 MET 16 HB1 MET 16 17.483 3.182 5.958 122 HG2 MET 16 HG2 MET 16 18.894 2.092 4.323 123 HG3 MET 16 HG1 MET 16 18.532 3.418 3.203 124 HE1 MET 16 HE1 MET 16 21.190 3.788 2.860 125 HE2 MET 16 HE2 MET 16 21.539 2.501 4.019 126 HE3 MET 16 HE3 MET 16 22.310 4.075 4.193 127 H PHE 17 HN PHE 17 16.447 0.968 2.511 128 HA PHE 17 HA PHE 17 16.668 -1.264 4.367 129 HB2 PHE 17 HB2 PHE 17 15.720 -1.118 1.506 130 HB3 PHE 17 HB1 PHE 17 16.111 -2.636 2.299 131 HD1 PHE 17 HD2 PHE 17 13.764 0.183 2.170 132 HD2 PHE 17 HD1 PHE 17 14.670 -3.570 3.957 133 HE1 PHE 17 HE2 PHE 17 11.470 0.047 3.061 134 HE2 PHE 17 HE1 PHE 17 12.381 -3.706 4.845 135 HZ PHE 17 HZ PHE 17 10.783 -1.897 4.397 136 HA PRO 18 HA PRO 18 20.836 -1.405 2.693 137 HB2 PRO 18 HB2 PRO 18 21.891 -2.907 4.655 138 HB3 PRO 18 HB1 PRO 18 21.537 -1.193 4.897 139 HG2 PRO 18 HG2 PRO 18 20.063 -3.594 5.856 140 HG3 PRO 18 HG1 PRO 18 20.238 -2.007 6.632 141 HD2 PRO 18 HD2 PRO 18 18.030 -2.935 5.146 142 HD3 PRO 18 HD1 PRO 18 18.313 -1.263 5.643 143 HA PRO 19 HA PRO 19 20.630 -5.030 0.201 144 HB2 PRO 19 HB2 PRO 19 23.199 -5.974 0.217 145 HB3 PRO 19 HB1 PRO 19 22.643 -4.604 -0.748 146 HG2 PRO 19 HG2 PRO 19 24.053 -4.608 1.889 147 HG3 PRO 19 HG1 PRO 19 24.318 -3.566 0.482 148 HD2 PRO 19 HD2 PRO 19 22.968 -2.682 2.605 149 HD3 PRO 19 HD1 PRO 19 22.450 -2.228 0.977 150 H ASN 20 HN ASN 20 21.180 -5.564 3.392 151 HA ASN 20 HA ASN 20 21.372 -8.364 2.966 152 HB2 ASN 20 HB2 ASN 20 22.632 -7.406 4.849 153 HB3 ASN 20 HB1 ASN 20 21.142 -6.849 5.591 154 HD21 ASN 20 HD21 ASN 20 23.168 -9.562 4.893 155 HD22 ASN 20 HD22 ASN 20 22.449 -10.673 5.974 156 H TYR 21 HN TYR 21 18.886 -6.095 3.012 157 HA TYR 21 HA TYR 21 16.845 -7.440 4.347 158 HB2 TYR 21 HB2 TYR 21 15.339 -5.867 3.350 159 HB3 TYR 21 HB1 TYR 21 16.815 -4.978 3.687 160 HD1 TYR 21 HD1 TYR 21 14.677 -6.359 1.110 161 HD2 TYR 21 HD2 TYR 21 18.150 -4.137 1.889 162 HE1 TYR 21 HE1 TYR 21 14.742 -5.682 -1.265 163 HE2 TYR 21 HE2 TYR 21 18.273 -3.436 -0.486 164 HH TYR 21 HH TYR 21 15.671 -4.078 -2.663 165 H ASP 22 HN ASP 22 15.212 -8.475 3.500 166 HA ASP 22 HA ASP 22 15.773 -10.321 1.315 167 HB2 ASP 22 HB2 ASP 22 14.612 -10.953 3.634 168 HB3 ASP 22 HB1 ASP 22 13.334 -10.047 2.921 169 H GLN 23 HN GLN 23 14.824 -10.214 -0.462 170 HA GLN 23 HA GLN 23 13.698 -7.927 -1.595 171 HB2 GLN 23 HB2 GLN 23 13.986 -10.724 -2.358 172 HB3 GLN 23 HB1 GLN 23 12.732 -9.849 -3.230 173 HG2 GLN 23 HG2 GLN 23 14.883 -9.928 -4.385 174 HG3 GLN 23 HG1 GLN 23 14.365 -8.282 -4.021 175 HE21 GLN 23 HE21 GLN 23 15.580 -7.062 -2.673 176 HE22 GLN 23 HE22 GLN 23 17.136 -7.533 -2.086 177 H SER 24 HN SER 24 12.087 -10.828 -0.353 178 HA SER 24 HA SER 24 9.493 -9.974 -1.168 179 HB2 SER 24 HB2 SER 24 10.272 -12.022 0.906 180 HB3 SER 24 HB1 SER 24 8.717 -11.898 0.079 181 HG SER 24 HG SER 24 9.784 -13.398 -1.022 182 H LYS 25 HN LYS 25 11.444 -9.823 1.705 183 HA LYS 25 HA LYS 25 9.445 -8.835 3.377 184 HB2 LYS 25 HB2 LYS 25 12.392 -8.672 3.666 185 HB3 LYS 25 HB1 LYS 25 11.309 -8.231 4.944 186 HG2 LYS 25 HG2 LYS 25 10.225 -10.570 4.428 187 HG3 LYS 25 HG1 LYS 25 11.832 -10.931 3.826 188 HD2 LYS 25 HD2 LYS 25 11.789 -11.591 6.032 189 HD3 LYS 25 HD1 LYS 25 12.679 -10.050 6.008 190 HE2 LYS 25 HE2 LYS 25 11.080 -10.177 7.895 191 HE3 LYS 25 HE1 LYS 25 10.682 -8.871 6.783 192 HZ1 LYS 25 HZ1 LYS 25 9.421 -11.557 6.729 193 HZ2 LYS 25 HZ2 LYS 25 8.918 -10.229 5.825 194 HZ3 LYS 25 HZ3 LYS 25 8.746 -10.230 7.495 195 H PHE 26 HN PHE 26 11.379 -7.350 1.021 196 HA PHE 26 HA PHE 26 11.021 -4.653 1.921 197 HB2 PHE 26 HB2 PHE 26 12.956 -5.143 0.559 198 HB3 PHE 26 HB1 PHE 26 11.955 -5.844 -0.699 199 HD1 PHE 26 HD2 PHE 26 12.488 -2.610 1.084 200 HD2 PHE 26 HD1 PHE 26 11.412 -4.569 -2.531 201 HE1 PHE 26 HE2 PHE 26 12.369 -0.432 -0.053 202 HE2 PHE 26 HE1 PHE 26 11.284 -2.391 -3.677 203 HZ PHE 26 HZ PHE 26 11.763 -0.319 -2.435 204 H GLU 27 HN GLU 27 9.721 -6.755 -0.561 205 HA GLU 27 HA GLU 27 7.891 -4.980 -1.711 206 HB2 GLU 27 HB2 GLU 27 7.774 -7.991 -1.654 207 HB3 GLU 27 HB1 GLU 27 6.871 -6.947 -2.745 208 HG2 GLU 27 HG2 GLU 27 9.005 -6.115 -3.652 209 HG3 GLU 27 HG1 GLU 27 9.854 -7.265 -2.622 210 H GLU 28 HN GLU 28 7.500 -7.364 0.871 211 HA GLU 28 HA GLU 28 4.673 -6.892 1.317 212 HB2 GLU 28 HB2 GLU 28 4.950 -8.017 3.412 213 HB3 GLU 28 HB1 GLU 28 5.927 -8.895 2.241 214 HG2 GLU 28 HG2 GLU 28 7.908 -7.875 3.013 215 HG3 GLU 28 HG1 GLU 28 7.015 -6.779 4.042 216 H HIS 29 HN HIS 29 7.406 -5.108 2.097 217 HA HIS 29 HA HIS 29 5.812 -3.796 3.943 218 HB2 HIS 29 HB2 HIS 29 8.084 -3.933 4.618 219 HB3 HIS 29 HB1 HIS 29 8.662 -3.378 3.066 220 HD1 HIS 29 HD1 HIS 29 8.121 -2.232 6.500 221 HD2 HIS 29 HD2 HIS 29 8.207 -0.552 2.736 222 HE1 HIS 29 HE1 HIS 29 8.779 0.185 6.853 223 H VAL 30 HN VAL 30 7.041 -3.329 0.720 224 HA VAL 30 HA VAL 30 6.043 -0.647 0.250 225 HB VAL 30 HB VAL 30 6.474 -2.860 -1.794 226 HG11 VAL 30 HG11 VAL 30 6.667 -1.073 -3.424 227 HG12 VAL 30 HG12 VAL 30 6.459 0.127 -2.165 228 HG13 VAL 30 HG13 VAL 30 5.112 -0.941 -2.592 229 HG21 VAL 30 HG21 VAL 30 8.386 -0.726 -0.854 230 HG22 VAL 30 HG22 VAL 30 8.668 -1.839 -2.192 231 HG23 VAL 30 HG23 VAL 30 8.524 -2.458 -0.548 232 H GLU 31 HN GLU 31 4.637 -3.802 -0.477 233 HA GLU 31 HA GLU 31 2.265 -2.721 -1.563 234 HB2 GLU 31 HB2 GLU 31 2.637 -5.446 -0.301 235 HB3 GLU 31 HB1 GLU 31 1.394 -4.994 -1.448 236 HG2 GLU 31 HG2 GLU 31 4.343 -5.090 -2.053 237 HG3 GLU 31 HG1 GLU 31 3.210 -6.386 -2.392 238 H SER 32 HN SER 32 3.295 -3.049 1.717 239 HA SER 32 HA SER 32 0.578 -3.099 2.691 240 HB2 SER 32 HB2 SER 32 3.166 -2.932 4.229 241 HB3 SER 32 HB1 SER 32 1.560 -3.022 4.962 242 HG SER 32 HG SER 32 3.047 -4.930 3.620 243 H HIS 33 HN HIS 33 3.058 -0.688 2.067 244 HA HIS 33 HA HIS 33 1.660 1.423 3.383 245 HB2 HIS 33 HB2 HIS 33 3.615 1.350 1.128 246 HB3 HIS 33 HB1 HIS 33 2.828 2.848 1.606 247 HD1 HIS 33 HD1 HIS 33 3.809 4.032 3.657 248 HD2 HIS 33 HD2 HIS 33 5.227 0.171 3.128 249 HE1 HIS 33 HE1 HIS 33 5.566 3.651 5.441 250 H TRP 34 HN TRP 34 1.155 -0.199 0.324 251 HA TRP 34 HA TRP 34 -0.603 1.597 -0.705 252 HB2 TRP 34 HB2 TRP 34 0.108 -1.302 -0.975 253 HB3 TRP 34 HB1 TRP 34 -1.041 -0.405 -2.035 254 HD1 TRP 34 HD1 TRP 34 2.233 1.246 -1.069 255 HE1 TRP 34 HE1 TRP 34 3.655 1.128 -3.060 256 HE3 TRP 34 HE3 TRP 34 -0.506 -1.745 -3.500 257 HZ2 TRP 34 HZ2 TRP 34 3.656 -0.207 -5.639 258 HZ3 TRP 34 HZ3 TRP 34 0.119 -2.594 -5.878 259 HH2 TRP 34 HH2 TRP 34 2.200 -1.789 -6.874 260 H LYS 35 HN LYS 35 -2.561 1.801 -0.232 261 HA LYS 35 HA LYS 35 -3.778 0.510 2.046 262 HB2 LYS 35 HB2 LYS 35 -5.139 2.515 0.240 263 HB3 LYS 35 HB1 LYS 35 -5.516 2.139 1.906 264 HG2 LYS 35 HG2 LYS 35 -3.060 3.609 0.947 265 HG3 LYS 35 HG1 LYS 35 -4.468 4.335 1.713 266 HD2 LYS 35 HD2 LYS 35 -3.990 3.066 3.766 267 HD3 LYS 35 HD1 LYS 35 -2.596 2.332 2.977 268 HE2 LYS 35 HE2 LYS 35 -1.876 4.160 4.405 269 HE3 LYS 35 HE1 LYS 35 -1.576 4.553 2.716 270 HZ1 LYS 35 HZ1 LYS 35 -2.508 6.446 3.921 271 HZ2 LYS 35 HZ2 LYS 35 -3.825 5.543 4.375 272 HZ3 LYS 35 HZ3 LYS 35 -3.629 5.951 2.760 273 H VAL 36 HN VAL 36 -4.368 -1.218 1.905 274 HA VAL 36 HA VAL 36 -5.526 -2.328 -0.511 275 HB VAL 36 HB VAL 36 -3.676 -3.443 0.530 276 HG11 VAL 36 HG11 VAL 36 -5.363 -3.665 2.972 277 HG12 VAL 36 HG12 VAL 36 -3.835 -2.813 2.762 278 HG13 VAL 36 HG13 VAL 36 -3.875 -4.576 2.706 279 HG21 VAL 36 HG21 VAL 36 -5.268 -4.854 -0.669 280 HG22 VAL 36 HG22 VAL 36 -6.229 -5.035 0.797 281 HG23 VAL 36 HG23 VAL 36 -4.610 -5.728 0.715 282 H CYS 37 HN CYS 37 -7.609 -2.653 -0.818 283 HA CYS 37 HA CYS 37 -9.441 -1.902 1.184 284 HB2 CYS 37 HB2 CYS 37 -9.827 -1.245 -1.074 285 HB3 CYS 37 HB1 CYS 37 -9.638 -2.905 -1.625 286 HA PRO 38 HA PRO 38 -9.777 -5.883 2.983 287 HB2 PRO 38 HB2 PRO 38 -12.316 -5.631 3.993 288 HB3 PRO 38 HB1 PRO 38 -10.874 -4.946 4.751 289 HG2 PRO 38 HG2 PRO 38 -12.909 -3.634 2.999 290 HG3 PRO 38 HG1 PRO 38 -12.132 -3.011 4.467 291 HD2 PRO 38 HD2 PRO 38 -11.370 -2.268 2.005 292 HD3 PRO 38 HD1 PRO 38 -10.190 -2.437 3.336 293 H MET 39 HN MET 39 -12.469 -4.742 0.919 294 HA MET 39 HA MET 39 -13.251 -7.502 0.530 295 HB2 MET 39 HB2 MET 39 -14.837 -5.658 1.278 296 HB3 MET 39 HB1 MET 39 -14.649 -5.068 -0.380 297 HG2 MET 39 HG2 MET 39 -15.518 -7.001 -1.297 298 HG3 MET 39 HG1 MET 39 -15.463 -7.851 0.256 299 HE1 MET 39 HE1 MET 39 -18.440 -4.478 -0.798 300 HE2 MET 39 HE2 MET 39 -17.271 -5.199 -1.918 301 HE3 MET 39 HE3 MET 39 -16.701 -4.266 -0.554 302 H CYS 40 HN CYS 40 -11.424 -5.068 -1.038 303 HA CYS 40 HA CYS 40 -12.121 -6.223 -3.650 304 HB2 CYS 40 HB2 CYS 40 -11.008 -3.726 -2.684 305 HB3 CYS 40 HB1 CYS 40 -10.675 -4.112 -4.366 306 H SER 41 HN SER 41 -9.543 -5.884 -1.307 307 HA SER 41 HA SER 41 -7.462 -6.530 -1.163 308 HB2 SER 41 HB2 SER 41 -8.247 -8.503 -3.332 309 HB3 SER 41 HB1 SER 41 -6.800 -8.589 -2.312 310 HG SER 41 HG SER 41 -8.215 -8.589 -0.501 311 H GLU 42 HN GLU 42 -8.216 -4.364 -3.036 312 HA GLU 42 HA GLU 42 -5.968 -4.362 -4.747 313 HB2 GLU 42 HB2 GLU 42 -8.621 -2.978 -4.731 314 HB3 GLU 42 HB1 GLU 42 -7.243 -2.365 -5.634 315 HG2 GLU 42 HG2 GLU 42 -7.089 -4.439 -6.817 316 HG3 GLU 42 HG1 GLU 42 -8.488 -5.081 -5.947 317 H GLN 43 HN GLN 43 -4.761 -3.098 -4.478 318 HA GLN 43 HA GLN 43 -4.441 -1.585 -1.916 319 HB2 GLN 43 HB2 GLN 43 -2.538 -2.698 -3.924 320 HB3 GLN 43 HB1 GLN 43 -2.071 -1.972 -2.354 321 HG2 GLN 43 HG2 GLN 43 -3.280 -3.831 -1.258 322 HG3 GLN 43 HG1 GLN 43 -3.647 -4.489 -2.837 323 HE21 GLN 43 HE21 GLN 43 -2.573 -6.413 -2.321 324 HE22 GLN 43 HE22 GLN 43 -0.848 -6.476 -2.338 325 H PHE 44 HN PHE 44 -4.466 0.456 -2.045 326 HA PHE 44 HA PHE 44 -4.149 1.921 -4.559 327 HB2 PHE 44 HB2 PHE 44 -5.367 2.559 -1.876 328 HB3 PHE 44 HB1 PHE 44 -5.117 3.790 -3.100 329 HD1 PHE 44 HD2 PHE 44 -6.823 0.559 -2.425 330 HD2 PHE 44 HD1 PHE 44 -6.727 4.083 -4.805 331 HE1 PHE 44 HE2 PHE 44 -8.963 -0.075 -3.446 332 HE2 PHE 44 HE1 PHE 44 -8.854 3.445 -5.838 333 HZ PHE 44 HZ PHE 44 -9.983 1.369 -5.156 334 HA PRO 45 HA PRO 45 -0.217 3.529 -3.291 335 HB2 PRO 45 HB2 PRO 45 -0.435 6.218 -3.775 336 HB3 PRO 45 HB1 PRO 45 -0.185 5.008 -5.039 337 HG2 PRO 45 HG2 PRO 45 -2.741 6.275 -4.100 338 HG3 PRO 45 HG1 PRO 45 -2.210 6.052 -5.770 339 HD2 PRO 45 HD2 PRO 45 -3.963 4.417 -4.674 340 HD3 PRO 45 HD1 PRO 45 -2.682 3.757 -5.721 341 HA PRO 46 HA PRO 46 -0.498 5.159 0.903 342 HB2 PRO 46 HB2 PRO 46 1.755 6.681 1.097 343 HB3 PRO 46 HB1 PRO 46 1.814 4.912 1.095 344 HG2 PRO 46 HG2 PRO 46 2.229 6.811 -1.180 345 HG3 PRO 46 HG1 PRO 46 3.202 5.414 -0.673 346 HD2 PRO 46 HD2 PRO 46 1.474 5.197 -2.707 347 HD3 PRO 46 HD1 PRO 46 1.662 3.870 -1.564 348 H ASP 47 HN ASP 47 -0.349 7.155 -1.824 349 HA ASP 47 HA ASP 47 -0.762 9.726 -0.682 350 HB2 ASP 47 HB2 ASP 47 -1.424 8.636 -3.428 351 HB3 ASP 47 HB1 ASP 47 -1.573 10.325 -2.978 352 H TYR 48 HN TYR 48 -2.749 6.971 -1.042 353 HA TYR 48 HA TYR 48 -5.199 8.336 -1.296 354 HB2 TYR 48 HB2 TYR 48 -4.313 5.715 -1.694 355 HB3 TYR 48 HB1 TYR 48 -5.369 5.684 -0.269 356 HD1 TYR 48 HD2 TYR 48 -5.231 6.867 -3.773 357 HD2 TYR 48 HD1 TYR 48 -7.674 5.669 -0.517 358 HE1 TYR 48 HE2 TYR 48 -7.186 6.966 -5.232 359 HE2 TYR 48 HE1 TYR 48 -9.659 5.778 -1.951 360 HH TYR 48 HH TYR 48 -10.415 6.729 -3.977 361 H ASP 49 HN ASP 49 -5.927 9.318 0.174 362 HA ASP 49 HA ASP 49 -5.290 9.425 2.915 363 HB2 ASP 49 HB2 ASP 49 -6.515 11.191 1.336 364 HB3 ASP 49 HB1 ASP 49 -7.898 10.244 1.748 365 H GLN 50 HN GLN 50 -6.516 8.753 4.521 366 HA GLN 50 HA GLN 50 -7.734 6.195 4.263 367 HB2 GLN 50 HB2 GLN 50 -7.923 6.100 6.614 368 HB3 GLN 50 HB1 GLN 50 -6.497 7.049 6.285 369 HG2 GLN 50 HG2 GLN 50 -7.439 8.181 8.060 370 HG3 GLN 50 HG1 GLN 50 -8.000 9.079 6.649 371 HE21 GLN 50 HE21 GLN 50 -9.451 5.987 7.539 372 HE22 GLN 50 HE22 GLN 50 -10.936 6.649 8.075 373 H GLN 51 HN GLN 51 -8.938 9.375 4.565 374 HA GLN 51 HA GLN 51 -11.721 8.814 4.869 375 HB2 GLN 51 HB2 GLN 51 -10.365 11.244 3.684 376 HB3 GLN 51 HB1 GLN 51 -12.051 11.154 4.172 377 HG2 GLN 51 HG2 GLN 51 -11.464 10.962 6.463 378 HG3 GLN 51 HG1 GLN 51 -9.763 10.721 6.066 379 HE21 GLN 51 HE21 GLN 51 -8.557 12.460 5.365 380 HE22 GLN 51 HE22 GLN 51 -9.051 14.087 5.678 381 H VAL 52 HN VAL 52 -9.628 9.436 2.127 382 HA VAL 52 HA VAL 52 -11.659 9.345 0.132 383 HB VAL 52 HB VAL 52 -8.635 8.989 -0.077 384 HG11 VAL 52 HG11 VAL 52 -10.627 9.544 -2.275 385 HG12 VAL 52 HG12 VAL 52 -9.688 8.044 -2.056 386 HG13 VAL 52 HG13 VAL 52 -8.865 9.563 -2.393 387 HG21 VAL 52 HG21 VAL 52 -9.350 11.167 0.765 388 HG22 VAL 52 HG22 VAL 52 -10.358 11.344 -0.687 389 HG23 VAL 52 HG23 VAL 52 -8.601 11.229 -0.840 390 H PHE 53 HN PHE 53 -9.500 7.048 1.593 391 HA PHE 53 HA PHE 53 -10.042 4.794 0.005 392 HB2 PHE 53 HB2 PHE 53 -8.118 4.987 1.527 393 HB3 PHE 53 HB1 PHE 53 -9.203 5.039 2.897 394 HD1 PHE 53 HD1 PHE 53 -8.057 2.875 0.114 395 HD2 PHE 53 HD2 PHE 53 -9.839 3.084 3.965 396 HE1 PHE 53 HE1 PHE 53 -7.832 0.440 0.356 397 HE2 PHE 53 HE2 PHE 53 -9.617 0.659 4.213 398 HZ PHE 53 HZ PHE 53 -8.608 -0.662 2.418 399 H GLU 54 HN GLU 54 -11.515 6.098 2.952 400 HA GLU 54 HA GLU 54 -13.380 4.075 3.434 401 HB2 GLU 54 HB2 GLU 54 -13.601 7.034 3.938 402 HB3 GLU 54 HB1 GLU 54 -14.728 5.840 4.559 403 HG2 GLU 54 HG2 GLU 54 -11.795 5.948 5.163 404 HG3 GLU 54 HG1 GLU 54 -13.093 6.538 6.201 405 H ARG 55 HN ARG 55 -13.551 6.909 1.376 406 HA ARG 55 HA ARG 55 -16.243 6.606 0.622 407 HB2 ARG 55 HB2 ARG 55 -13.946 8.074 -0.521 408 HB3 ARG 55 HB1 ARG 55 -15.320 7.803 -1.587 409 HG2 ARG 55 HG2 ARG 55 -15.464 9.983 -0.499 410 HG3 ARG 55 HG1 ARG 55 -16.785 8.934 -0.000 411 HD2 ARG 55 HD2 ARG 55 -15.538 8.416 2.063 412 HD3 ARG 55 HD1 ARG 55 -14.282 9.546 1.559 413 HE ARG 55 HE ARG 55 -16.837 10.741 1.545 414 HH11 ARG 55 HH11 ARG 55 -14.250 9.809 3.739 415 HH12 ARG 55 HH12 ARG 55 -14.677 10.933 4.951 416 HH21 ARG 55 HH21 ARG 55 -17.414 12.267 3.138 417 HH22 ARG 55 HH22 ARG 55 -16.510 12.415 4.575 418 H HIS 56 HN HIS 56 -13.315 5.334 -0.807 419 HA HIS 56 HA HIS 56 -14.549 3.999 -2.936 420 HB2 HIS 56 HB2 HIS 56 -12.193 4.114 -3.097 421 HB3 HIS 56 HB1 HIS 56 -11.962 3.533 -1.455 422 HD1 HIS 56 HD1 HIS 56 -13.035 2.130 -4.883 423 HD2 HIS 56 HD2 HIS 56 -11.392 0.927 -1.263 424 HE1 HIS 56 HE1 HIS 56 -12.527 -0.340 -5.115 425 H VAL 57 HN VAL 57 -13.775 2.892 0.320 426 HA VAL 57 HA VAL 57 -14.530 0.194 -0.150 427 HB VAL 57 HB VAL 57 -14.188 1.703 2.463 428 HG11 VAL 57 HG11 VAL 57 -15.603 -0.277 2.797 429 HG12 VAL 57 HG12 VAL 57 -14.011 -0.505 3.527 430 HG13 VAL 57 HG13 VAL 57 -14.395 -1.271 1.987 431 HG21 VAL 57 HG21 VAL 57 -12.031 0.530 2.540 432 HG22 VAL 57 HG22 VAL 57 -12.176 1.576 1.124 433 HG23 VAL 57 HG23 VAL 57 -12.379 -0.167 0.955 434 H GLN 58 HN GLN 58 -16.119 2.942 1.202 435 HA GLN 58 HA GLN 58 -18.328 1.449 1.990 436 HB2 GLN 58 HB2 GLN 58 -17.663 4.296 1.921 437 HB3 GLN 58 HB1 GLN 58 -19.330 3.822 2.348 438 HG2 GLN 58 HG2 GLN 58 -16.758 3.063 3.737 439 HG3 GLN 58 HG1 GLN 58 -17.988 4.169 4.347 440 HE21 GLN 58 HE21 GLN 58 -17.155 0.849 3.797 441 HE22 GLN 58 HE22 GLN 58 -18.431 0.170 4.743 442 H THR 59 HN THR 59 -17.507 2.699 -1.074 443 HA THR 59 HA THR 59 -20.230 3.070 -1.911 444 HB THR 59 HB THR 59 -19.363 3.038 -4.266 445 HG1 THR 59 HG1 THR 59 -16.839 2.710 -2.973 446 HG21 THR 59 HG21 THR 59 -18.255 5.210 -4.135 447 HG22 THR 59 HG22 THR 59 -18.054 4.968 -2.396 448 HG23 THR 59 HG23 THR 59 -19.675 5.117 -3.083 449 H HIS 60 HN HIS 60 -17.801 0.510 -2.278 450 HA HIS 60 HA HIS 60 -19.742 -0.996 -3.663 451 HB2 HIS 60 HB2 HIS 60 -18.155 -2.885 -3.254 452 HB3 HIS 60 HB1 HIS 60 -17.679 -1.758 -4.534 453 HD1 HIS 60 HD1 HIS 60 -15.980 -3.895 -2.808 454 HD2 HIS 60 HD2 HIS 60 -16.022 0.201 -2.300 455 HE1 HIS 60 HE1 HIS 60 -13.800 -3.279 -1.664 456 H PHE 61 HN PHE 61 -19.077 -0.560 -0.426 457 HA PHE 61 HA PHE 61 -20.552 -2.943 0.340 458 HB2 PHE 61 HB2 PHE 61 -19.542 -0.582 1.913 459 HB3 PHE 61 HB1 PHE 61 -20.698 -1.702 2.618 460 HD1 PHE 61 HD2 PHE 61 -17.411 -1.650 0.923 461 HD2 PHE 61 HD1 PHE 61 -19.922 -3.557 3.751 462 HE1 PHE 61 HE2 PHE 61 -15.569 -3.041 1.576 463 HE2 PHE 61 HE1 PHE 61 -18.063 -5.011 4.431 464 HZ PHE 61 HZ PHE 61 -15.860 -4.764 3.346 465 H ASP 62 HN ASP 62 -21.175 0.319 -0.464 466 HA ASP 62 HA ASP 62 -23.859 0.350 0.660 467 HB2 ASP 62 HB2 ASP 62 -22.490 2.430 0.477 468 HB3 ASP 62 HB1 ASP 62 -22.588 2.284 -1.266 469 H GLN 63 HN GLN 63 -22.368 0.184 -2.333 470 HA GLN 63 HA GLN 63 -22.820 -0.761 -4.334 471 HB2 GLN 63 HB2 GLN 63 -23.660 -2.640 -2.941 472 HB3 GLN 63 HB1 GLN 63 -25.266 -1.939 -3.002 473 HG2 GLN 63 HG2 GLN 63 -25.292 -2.234 -5.429 474 HG3 GLN 63 HG1 GLN 63 -23.685 -2.944 -5.346 475 HE21 GLN 63 HE21 GLN 63 -24.294 -4.372 -2.861 476 HE22 GLN 63 HE22 GLN 63 -25.324 -5.666 -3.299 477 H ASN 64 HN ASN 64 -24.743 1.572 -2.955 478 HA ASN 64 HA ASN 64 -26.040 3.219 -3.687 479 HB2 ASN 64 HB2 ASN 64 -24.594 3.255 -5.760 480 HB3 ASN 64 HB1 ASN 64 -25.706 2.114 -6.505 481 HD21 ASN 64 HD21 ASN 64 -26.284 3.470 -8.140 482 HD22 ASN 64 HD22 ASN 64 -27.239 4.894 -7.914 483 H VAL 65 HN VAL 65 -26.759 0.248 -3.429 484 HA VAL 65 HA VAL 65 -29.592 0.459 -4.250 485 HB VAL 65 HB VAL 65 -28.026 -2.136 -3.869 486 HG11 VAL 65 HG11 VAL 65 -29.837 -3.193 -5.117 487 HG12 VAL 65 HG12 VAL 65 -30.636 -1.635 -5.287 488 HG13 VAL 65 HG13 VAL 65 -30.459 -2.359 -3.691 489 HG21 VAL 65 HG21 VAL 65 -27.010 -0.909 -5.708 490 HG22 VAL 65 HG22 VAL 65 -28.589 -0.728 -6.471 491 HG23 VAL 65 HG23 VAL 65 -27.869 -2.333 -6.299 492 H LEU 66 HN LEU 66 -27.971 1.255 -1.898 493 HA LEU 66 HA LEU 66 -28.072 1.449 0.282 494 HB2 LEU 66 HB2 LEU 66 -30.455 -0.418 0.243 495 HB3 LEU 66 HB1 LEU 66 -29.895 0.518 1.614 496 HG LEU 66 HG LEU 66 -31.056 1.640 -0.937 497 HD11 LEU 66 HD11 LEU 66 -32.908 2.334 0.489 498 HD12 LEU 66 HD12 LEU 66 -32.163 1.507 1.857 499 HD13 LEU 66 HD13 LEU 66 -32.716 0.581 0.462 500 HD21 LEU 66 HD21 LEU 66 -30.984 3.797 0.240 501 HD22 LEU 66 HD22 LEU 66 -29.376 3.134 -0.037 502 HD23 LEU 66 HD23 LEU 66 -30.107 3.028 1.564 503 H ASN 67 HN ASN 67 -27.442 0.415 2.198 504 HA ASN 67 HA ASN 67 -25.539 -1.582 1.758 505 HB2 ASN 67 HB2 ASN 67 -25.231 -1.649 4.206 506 HB3 ASN 67 HB1 ASN 67 -25.282 -0.004 3.603 507 HD21 ASN 67 HD21 ASN 67 -25.763 -1.006 6.277 508 HD22 ASN 67 HD22 ASN 67 -27.346 -0.498 6.715 509 H PHE 68 HN PHE 68 -28.796 -1.773 2.977 510 HA PHE 68 HA PHE 68 -30.247 -3.444 3.298 511 HB2 PHE 68 HB2 PHE 68 -29.870 -3.710 0.877 512 HB3 PHE 68 HB1 PHE 68 -28.577 -4.855 1.205 513 HD1 PHE 68 HD2 PHE 68 -32.196 -4.319 1.900 514 HD2 PHE 68 HD1 PHE 68 -29.077 -7.116 1.169 515 HE1 PHE 68 HE2 PHE 68 -33.839 -6.133 1.859 516 HE2 PHE 68 HE1 PHE 68 -30.722 -8.941 1.121 517 HZ PHE 68 HZ PHE 68 -33.107 -8.452 1.465 518 H ASP 69 HN ASP 69 -29.712 -3.753 5.384 519 HA ASP 69 HA ASP 69 -29.284 -4.882 7.229 520 HB2 ASP 69 HB2 ASP 69 -29.154 -7.160 5.305 521 HB3 ASP 69 HB1 ASP 69 -28.552 -7.415 6.940 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 23.059 7.583 7.151 2 H2 GLY 1 HT2 GLY 1 23.711 9.042 7.726 3 H3 GLY 1 HT3 GLY 1 24.678 7.938 6.893 4 HA2 GLY 1 HA1 GLY 1 22.395 9.358 5.716 5 HA3 GLY 1 HA2 GLY 1 24.088 9.796 5.501 6 HA PRO 2 HA PRO 2 22.620 6.301 2.531 7 HB2 PRO 2 HB2 PRO 2 21.767 7.697 0.381 8 HB3 PRO 2 HB1 PRO 2 20.693 7.320 1.733 9 HG2 PRO 2 HG2 PRO 2 22.170 9.850 1.145 10 HG3 PRO 2 HG1 PRO 2 20.485 9.634 1.654 11 HD2 PRO 2 HD2 PRO 2 22.479 10.315 3.373 12 HD3 PRO 2 HD1 PRO 2 21.064 9.362 3.864 13 H HIS 3 HN HIS 3 25.129 7.320 3.074 14 HA HIS 3 HA HIS 3 26.537 8.374 0.834 15 HB2 HIS 3 HB2 HIS 3 27.240 8.553 3.255 16 HB3 HIS 3 HB1 HIS 3 27.649 6.848 3.197 17 HD1 HIS 3 HD1 HIS 3 28.676 10.102 1.535 18 HD2 HIS 3 HD2 HIS 3 30.164 6.331 2.398 19 HE1 HIS 3 HE1 HIS 3 31.137 10.182 0.972 20 H MET 4 HN MET 4 25.933 5.148 2.056 21 HA MET 4 HA MET 4 26.799 4.112 -0.531 22 HB2 MET 4 HB2 MET 4 28.566 3.560 1.098 23 HB3 MET 4 HB1 MET 4 27.367 2.799 2.138 24 HG2 MET 4 HG2 MET 4 28.619 1.157 0.825 25 HG3 MET 4 HG1 MET 4 26.899 1.143 0.432 26 HE1 MET 4 HE1 MET 4 27.282 -0.162 -1.746 27 HE2 MET 4 HE2 MET 4 29.022 -0.249 -1.436 28 HE3 MET 4 HE3 MET 4 28.427 0.276 -3.017 29 H ASP 5 HN ASP 5 24.960 3.698 -1.401 30 HA ASP 5 HA ASP 5 23.007 2.110 0.052 31 HB2 ASP 5 HB2 ASP 5 22.342 4.553 -0.131 32 HB3 ASP 5 HB1 ASP 5 22.443 4.391 -1.877 33 H VAL 6 HN VAL 6 21.872 0.765 -1.467 34 HA VAL 6 HA VAL 6 23.252 0.446 -4.046 35 HB VAL 6 HB VAL 6 22.584 -1.984 -2.314 36 HG11 VAL 6 HG11 VAL 6 22.754 -2.484 -4.692 37 HG12 VAL 6 HG12 VAL 6 24.083 -3.233 -3.804 38 HG13 VAL 6 HG13 VAL 6 24.363 -1.766 -4.745 39 HG21 VAL 6 HG21 VAL 6 25.009 -2.200 -1.815 40 HG22 VAL 6 HG22 VAL 6 24.290 -0.743 -1.128 41 HG23 VAL 6 HG23 VAL 6 25.267 -0.636 -2.589 42 H HIS 7 HN HIS 7 20.813 1.535 -3.145 43 HA HIS 7 HA HIS 7 19.138 1.993 -3.960 44 HB2 HIS 7 HB2 HIS 7 20.049 0.533 -6.360 45 HB3 HIS 7 HB1 HIS 7 18.399 1.165 -6.347 46 HD1 HIS 7 HD1 HIS 7 21.908 2.254 -6.846 47 HD2 HIS 7 HD2 HIS 7 18.249 3.988 -5.893 48 HE1 HIS 7 HE1 HIS 7 22.192 4.730 -7.176 49 H LYS 8 HN LYS 8 19.339 -0.776 -2.696 50 HA LYS 8 HA LYS 8 16.699 -1.838 -3.239 51 HB2 LYS 8 HB2 LYS 8 18.757 -2.568 -1.115 52 HB3 LYS 8 HB1 LYS 8 17.204 -3.369 -1.270 53 HG2 LYS 8 HG2 LYS 8 19.286 -3.312 -3.458 54 HG3 LYS 8 HG1 LYS 8 19.142 -4.608 -2.271 55 HD2 LYS 8 HD2 LYS 8 16.836 -3.769 -4.029 56 HD3 LYS 8 HD1 LYS 8 18.017 -4.975 -4.529 57 HE2 LYS 8 HE2 LYS 8 16.529 -5.240 -1.921 58 HE3 LYS 8 HE1 LYS 8 15.821 -5.794 -3.432 59 HZ1 LYS 8 HZ1 LYS 8 17.054 -7.570 -2.170 60 HZ2 LYS 8 HZ2 LYS 8 18.497 -6.738 -2.495 61 HZ3 LYS 8 HZ3 LYS 8 17.563 -7.321 -3.735 62 H LYS 9 HN LYS 9 15.607 0.063 -2.887 63 HA LYS 9 HA LYS 9 15.351 1.034 -0.088 64 HB2 LYS 9 HB2 LYS 9 14.888 2.480 -2.683 65 HB3 LYS 9 HB1 LYS 9 14.647 3.129 -1.080 66 HG2 LYS 9 HG2 LYS 9 17.032 3.141 -0.693 67 HG3 LYS 9 HG1 LYS 9 17.310 2.346 -2.253 68 HD2 LYS 9 HD2 LYS 9 16.287 4.200 -3.418 69 HD3 LYS 9 HD1 LYS 9 15.929 5.005 -1.896 70 HE2 LYS 9 HE2 LYS 9 18.697 4.392 -2.932 71 HE3 LYS 9 HE1 LYS 9 17.888 5.945 -3.097 72 HZ1 LYS 9 HZ1 LYS 9 19.342 6.046 -1.295 73 HZ2 LYS 9 HZ2 LYS 9 18.834 4.621 -0.627 74 HZ3 LYS 9 HZ3 LYS 9 17.807 6.003 -0.591 75 H CYS 10 HN CYS 10 13.454 1.163 0.702 76 HA CYS 10 HA CYS 10 11.119 0.081 -0.466 77 HB2 CYS 10 HB2 CYS 10 11.411 0.542 1.942 78 HB3 CYS 10 HB1 CYS 10 11.475 2.239 1.586 79 HA PRO 11 HA PRO 11 10.779 3.529 -3.374 80 HB2 PRO 11 HB2 PRO 11 8.294 2.793 -4.367 81 HB3 PRO 11 HB1 PRO 11 9.841 2.209 -4.981 82 HG2 PRO 11 HG2 PRO 11 7.900 0.858 -3.181 83 HG3 PRO 11 HG1 PRO 11 8.982 0.170 -4.396 84 HD2 PRO 11 HD2 PRO 11 9.438 0.056 -1.714 85 HD3 PRO 11 HD1 PRO 11 10.730 0.028 -2.930 86 H LEU 12 HN LEU 12 8.659 2.651 -0.862 87 HA LEU 12 HA LEU 12 7.066 5.080 -1.139 88 HB2 LEU 12 HB2 LEU 12 6.761 3.009 1.007 89 HB3 LEU 12 HB1 LEU 12 5.588 4.192 0.484 90 HG LEU 12 HG LEU 12 4.687 2.308 -0.414 91 HD11 LEU 12 HD11 LEU 12 5.039 2.092 -2.771 92 HD12 LEU 12 HD12 LEU 12 6.546 2.988 -2.655 93 HD13 LEU 12 HD13 LEU 12 5.024 3.800 -2.326 94 HD21 LEU 12 HD21 LEU 12 5.852 0.393 -1.260 95 HD22 LEU 12 HD22 LEU 12 6.405 0.783 0.372 96 HD23 LEU 12 HD23 LEU 12 7.409 1.187 -1.027 97 H CYS 13 HN CYS 13 9.341 3.576 1.154 98 HA CYS 13 HA CYS 13 9.376 6.027 2.752 99 HB2 CYS 13 HB2 CYS 13 11.146 3.521 3.090 100 HB3 CYS 13 HB1 CYS 13 11.169 4.966 4.101 101 H GLU 14 HN GLU 14 12.200 4.196 1.793 102 HA GLU 14 HA GLU 14 13.515 5.119 -0.168 103 HB2 GLU 14 HB2 GLU 14 14.889 7.046 0.352 104 HB3 GLU 14 HB1 GLU 14 13.229 7.530 0.635 105 HG2 GLU 14 HG2 GLU 14 13.508 7.457 2.970 106 HG3 GLU 14 HG1 GLU 14 15.046 6.600 2.836 107 H LEU 15 HN LEU 15 13.345 4.402 3.128 108 HA LEU 15 HA LEU 15 15.631 3.645 4.163 109 HB2 LEU 15 HB2 LEU 15 13.367 3.230 5.103 110 HB3 LEU 15 HB1 LEU 15 13.175 1.890 4.012 111 HG LEU 15 HG LEU 15 15.348 1.890 6.120 112 HD11 LEU 15 HD11 LEU 15 13.795 0.664 7.520 113 HD12 LEU 15 HD12 LEU 15 12.490 1.002 6.368 114 HD13 LEU 15 HD13 LEU 15 13.284 2.325 7.239 115 HD21 LEU 15 HD21 LEU 15 13.823 -0.322 4.737 116 HD22 LEU 15 HD22 LEU 15 15.081 -0.533 5.952 117 HD23 LEU 15 HD23 LEU 15 15.481 0.161 4.380 118 H MET 16 HN MET 16 17.203 2.262 3.905 119 HA MET 16 HA MET 16 17.373 0.839 1.408 120 HB2 MET 16 HB2 MET 16 19.115 2.416 1.813 121 HB3 MET 16 HB1 MET 16 19.415 1.750 3.418 122 HG2 MET 16 HG2 MET 16 20.043 -0.386 2.349 123 HG3 MET 16 HG1 MET 16 19.775 0.433 0.806 124 HE1 MET 16 HE1 MET 16 23.719 -0.124 1.214 125 HE2 MET 16 HE2 MET 16 22.291 -0.595 0.295 126 HE3 MET 16 HE3 MET 16 22.490 -1.140 1.963 127 H PHE 17 HN PHE 17 17.375 -1.220 1.362 128 HA PHE 17 HA PHE 17 17.717 -2.826 3.785 129 HB2 PHE 17 HB2 PHE 17 16.567 -3.539 1.062 130 HB3 PHE 17 HB1 PHE 17 16.672 -4.624 2.441 131 HD1 PHE 17 HD2 PHE 17 15.174 -4.369 4.334 132 HD2 PHE 17 HD1 PHE 17 14.891 -1.824 0.943 133 HE1 PHE 17 HE2 PHE 17 12.936 -3.647 5.064 134 HE2 PHE 17 HE1 PHE 17 12.665 -1.096 1.663 135 HZ PHE 17 HZ PHE 17 11.679 -2.008 3.727 136 HA PRO 18 HA PRO 18 21.744 -4.151 2.291 137 HB2 PRO 18 HB2 PRO 18 20.690 -6.913 2.720 138 HB3 PRO 18 HB1 PRO 18 22.210 -6.203 3.274 139 HG2 PRO 18 HG2 PRO 18 20.205 -6.544 4.966 140 HG3 PRO 18 HG1 PRO 18 21.192 -5.073 5.026 141 HD2 PRO 18 HD2 PRO 18 18.432 -5.460 3.964 142 HD3 PRO 18 HD1 PRO 18 19.139 -4.056 4.791 143 HA PRO 19 HA PRO 19 21.416 -5.002 -2.145 144 HB2 PRO 19 HB2 PRO 19 23.635 -6.882 -1.499 145 HB3 PRO 19 HB1 PRO 19 23.515 -5.704 -2.812 146 HG2 PRO 19 HG2 PRO 19 24.990 -5.168 -0.661 147 HG3 PRO 19 HG1 PRO 19 24.014 -3.916 -1.447 148 HD2 PRO 19 HD2 PRO 19 23.580 -5.289 1.143 149 HD3 PRO 19 HD1 PRO 19 23.060 -3.679 0.611 150 H ASN 20 HN ASN 20 22.108 -7.925 -0.277 151 HA ASN 20 HA ASN 20 20.567 -9.270 -2.289 152 HB2 ASN 20 HB2 ASN 20 22.810 -10.152 -1.718 153 HB3 ASN 20 HB1 ASN 20 22.267 -10.482 -0.086 154 HD21 ASN 20 HD21 ASN 20 20.380 -11.141 -3.020 155 HD22 ASN 20 HD22 ASN 20 20.389 -12.847 -2.823 156 H TYR 21 HN TYR 21 19.404 -7.647 0.182 157 HA TYR 21 HA TYR 21 18.160 -9.405 1.836 158 HB2 TYR 21 HB2 TYR 21 18.469 -7.110 2.213 159 HB3 TYR 21 HB1 TYR 21 17.285 -6.652 0.967 160 HD1 TYR 21 HD2 TYR 21 17.935 -8.183 4.120 161 HD2 TYR 21 HD1 TYR 21 14.976 -6.734 1.561 162 HE1 TYR 21 HE2 TYR 21 16.289 -8.302 6.025 163 HE2 TYR 21 HE1 TYR 21 13.277 -6.818 3.385 164 HH TYR 21 HH TYR 21 12.915 -7.924 5.528 165 H ASP 22 HN ASP 22 16.398 -10.171 1.872 166 HA ASP 22 HA ASP 22 15.303 -11.631 -0.217 167 HB2 ASP 22 HB2 ASP 22 15.000 -11.900 2.468 168 HB3 ASP 22 HB1 ASP 22 13.722 -10.839 2.062 169 H GLN 23 HN GLN 23 14.010 -11.243 -1.605 170 HA GLN 23 HA GLN 23 12.756 -8.790 -2.159 171 HB2 GLN 23 HB2 GLN 23 12.573 -11.521 -3.268 172 HB3 GLN 23 HB1 GLN 23 11.424 -10.302 -3.802 173 HG2 GLN 23 HG2 GLN 23 14.428 -10.150 -3.995 174 HG3 GLN 23 HG1 GLN 23 13.331 -10.521 -5.325 175 HE21 GLN 23 HE21 GLN 23 14.636 -8.076 -3.313 176 HE22 GLN 23 HE22 GLN 23 13.991 -6.706 -4.181 177 H SER 24 HN SER 24 11.540 -11.787 -0.734 178 HA SER 24 HA SER 24 8.828 -10.980 -0.822 179 HB2 SER 24 HB2 SER 24 10.127 -13.054 0.962 180 HB3 SER 24 HB1 SER 24 8.421 -12.974 0.501 181 HG SER 24 HG SER 24 9.212 -13.174 -1.703 182 H LYS 25 HN LYS 25 11.294 -11.019 1.691 183 HA LYS 25 HA LYS 25 9.815 -9.801 3.730 184 HB2 LYS 25 HB2 LYS 25 12.728 -9.845 3.155 185 HB3 LYS 25 HB1 LYS 25 12.149 -9.136 4.594 186 HG2 LYS 25 HG2 LYS 25 11.041 -11.194 5.237 187 HG3 LYS 25 HG1 LYS 25 11.666 -11.966 3.773 188 HD2 LYS 25 HD2 LYS 25 13.878 -11.589 4.471 189 HD3 LYS 25 HD1 LYS 25 13.335 -10.678 5.889 190 HE2 LYS 25 HE2 LYS 25 12.743 -13.588 5.345 191 HE3 LYS 25 HE1 LYS 25 13.964 -13.005 6.476 192 HZ1 LYS 25 HZ1 LYS 25 12.175 -11.918 7.726 193 HZ2 LYS 25 HZ2 LYS 25 11.967 -13.570 7.660 194 HZ3 LYS 25 HZ3 LYS 25 11.023 -12.574 6.682 195 H PHE 26 HN PHE 26 11.538 -8.456 1.049 196 HA PHE 26 HA PHE 26 11.458 -5.719 1.781 197 HB2 PHE 26 HB2 PHE 26 13.029 -6.477 0.097 198 HB3 PHE 26 HB1 PHE 26 11.738 -7.165 -0.862 199 HD1 PHE 26 HD2 PHE 26 13.010 -3.907 0.402 200 HD2 PHE 26 HD1 PHE 26 10.850 -5.971 -2.623 201 HE1 PHE 26 HE2 PHE 26 12.898 -1.842 -0.926 202 HE2 PHE 26 HE1 PHE 26 10.733 -3.915 -3.961 203 HZ PHE 26 HZ PHE 26 11.752 -1.841 -3.110 204 H GLU 27 HN GLU 27 9.495 -7.756 -0.317 205 HA GLU 27 HA GLU 27 7.588 -5.811 -0.901 206 HB2 GLU 27 HB2 GLU 27 7.484 -8.809 -1.092 207 HB3 GLU 27 HB1 GLU 27 6.201 -7.755 -1.682 208 HG2 GLU 27 HG2 GLU 27 7.718 -6.704 -3.236 209 HG3 GLU 27 HG1 GLU 27 9.067 -7.623 -2.581 210 H GLU 28 HN GLU 28 7.822 -8.091 1.743 211 HA GLU 28 HA GLU 28 5.249 -7.553 2.949 212 HB2 GLU 28 HB2 GLU 28 7.874 -8.251 4.279 213 HB3 GLU 28 HB1 GLU 28 6.307 -8.229 5.068 214 HG2 GLU 28 HG2 GLU 28 7.140 -10.078 2.846 215 HG3 GLU 28 HG1 GLU 28 7.036 -10.492 4.558 216 H HIS 29 HN HIS 29 8.097 -5.754 2.824 217 HA HIS 29 HA HIS 29 6.886 -4.083 4.706 218 HB2 HIS 29 HB2 HIS 29 9.285 -4.252 4.938 219 HB3 HIS 29 HB1 HIS 29 9.525 -3.874 3.252 220 HD1 HIS 29 HD1 HIS 29 9.617 -2.317 6.590 221 HD2 HIS 29 HD2 HIS 29 9.043 -1.129 2.692 222 HE1 HIS 29 HE1 HIS 29 10.233 0.153 6.528 223 H VAL 30 HN VAL 30 7.562 -4.086 1.288 224 HA VAL 30 HA VAL 30 6.556 -1.485 0.555 225 HB VAL 30 HB VAL 30 6.639 -4.047 -1.091 226 HG11 VAL 30 HG11 VAL 30 6.537 -1.197 -2.065 227 HG12 VAL 30 HG12 VAL 30 5.144 -2.279 -2.008 228 HG13 VAL 30 HG13 VAL 30 6.513 -2.660 -3.051 229 HG21 VAL 30 HG21 VAL 30 8.722 -3.152 -2.022 230 HG22 VAL 30 HG22 VAL 30 8.839 -3.456 -0.289 231 HG23 VAL 30 HG23 VAL 30 8.637 -1.809 -0.882 232 H GLU 31 HN GLU 31 4.888 -4.604 0.578 233 HA GLU 31 HA GLU 31 2.473 -3.409 -0.235 234 HB2 GLU 31 HB2 GLU 31 2.930 -6.023 1.161 235 HB3 GLU 31 HB1 GLU 31 1.422 -5.543 0.383 236 HG2 GLU 31 HG2 GLU 31 2.717 -5.377 -1.761 237 HG3 GLU 31 HG1 GLU 31 4.078 -6.091 -0.889 238 H SER 32 HN SER 32 4.010 -3.590 2.847 239 HA SER 32 HA SER 32 1.552 -3.169 4.208 240 HB2 SER 32 HB2 SER 32 4.390 -2.986 5.197 241 HB3 SER 32 HB1 SER 32 2.972 -2.754 6.231 242 HG SER 32 HG SER 32 4.026 -5.065 5.163 243 H HIS 33 HN HIS 33 3.862 -1.111 2.652 244 HA HIS 33 HA HIS 33 2.788 1.296 3.761 245 HB2 HIS 33 HB2 HIS 33 4.325 0.720 1.264 246 HB3 HIS 33 HB1 HIS 33 3.732 2.333 1.649 247 HD1 HIS 33 HD1 HIS 33 5.271 3.698 3.135 248 HD2 HIS 33 HD2 HIS 33 5.950 -0.384 3.344 249 HE1 HIS 33 HE1 HIS 33 7.401 3.361 4.542 250 H TRP 34 HN TRP 34 1.888 -0.833 1.071 251 HA TRP 34 HA TRP 34 0.059 0.850 -0.080 252 HB2 TRP 34 HB2 TRP 34 0.608 -2.095 0.078 253 HB3 TRP 34 HB1 TRP 34 -0.617 -1.350 -1.008 254 HD1 TRP 34 HD1 TRP 34 2.728 0.411 -0.875 255 HE1 TRP 34 HE1 TRP 34 3.973 -0.338 -2.864 256 HE3 TRP 34 HE3 TRP 34 -0.155 -3.226 -2.039 257 HZ2 TRP 34 HZ2 TRP 34 3.801 -2.396 -4.883 258 HZ3 TRP 34 HZ3 TRP 34 0.322 -4.765 -4.098 259 HH2 TRP 34 HH2 TRP 34 2.317 -4.289 -5.458 260 H LYS 35 HN LYS 35 -1.763 1.359 0.669 261 HA LYS 35 HA LYS 35 -2.718 0.571 3.241 262 HB2 LYS 35 HB2 LYS 35 -4.029 2.392 1.216 263 HB3 LYS 35 HB1 LYS 35 -4.382 2.295 2.933 264 HG2 LYS 35 HG2 LYS 35 -1.815 3.305 1.703 265 HG3 LYS 35 HG1 LYS 35 -3.091 4.292 2.422 266 HD2 LYS 35 HD2 LYS 35 -2.693 3.294 4.584 267 HD3 LYS 35 HD1 LYS 35 -1.493 2.199 3.894 268 HE2 LYS 35 HE2 LYS 35 -0.387 4.038 5.024 269 HE3 LYS 35 HE1 LYS 35 -0.107 4.133 3.289 270 HZ1 LYS 35 HZ1 LYS 35 -2.060 5.764 4.832 271 HZ2 LYS 35 HZ2 LYS 35 -1.838 5.829 3.163 272 HZ3 LYS 35 HZ3 LYS 35 -0.589 6.279 4.186 273 H VAL 36 HN VAL 36 -3.759 -0.860 3.588 274 HA VAL 36 HA VAL 36 -5.156 -2.410 1.553 275 HB VAL 36 HB VAL 36 -3.534 -3.545 2.973 276 HG11 VAL 36 HG11 VAL 36 -3.614 -2.220 4.874 277 HG12 VAL 36 HG12 VAL 36 -3.890 -3.908 5.338 278 HG13 VAL 36 HG13 VAL 36 -5.245 -2.761 5.277 279 HG21 VAL 36 HG21 VAL 36 -4.911 -5.436 3.756 280 HG22 VAL 36 HG22 VAL 36 -5.389 -4.897 2.150 281 HG23 VAL 36 HG23 VAL 36 -6.356 -4.448 3.556 282 H CYS 37 HN CYS 37 -7.310 -2.545 1.388 283 HA CYS 37 HA CYS 37 -8.920 -0.927 3.029 284 HB2 CYS 37 HB2 CYS 37 -9.442 -1.020 0.718 285 HB3 CYS 37 HB1 CYS 37 -9.352 -2.779 0.700 286 HA PRO 38 HA PRO 38 -9.430 -3.965 6.177 287 HB2 PRO 38 HB2 PRO 38 -11.964 -3.211 7.037 288 HB3 PRO 38 HB1 PRO 38 -10.451 -2.473 7.569 289 HG2 PRO 38 HG2 PRO 38 -12.391 -1.552 5.501 290 HG3 PRO 38 HG1 PRO 38 -11.447 -0.599 6.658 291 HD2 PRO 38 HD2 PRO 38 -10.782 -0.815 4.042 292 HD3 PRO 38 HD1 PRO 38 -9.537 -0.659 5.319 293 H MET 39 HN MET 39 -12.202 -3.527 3.980 294 HA MET 39 HA MET 39 -13.115 -6.194 4.589 295 HB2 MET 39 HB2 MET 39 -14.637 -4.260 4.298 296 HB3 MET 39 HB1 MET 39 -14.154 -4.203 2.607 297 HG2 MET 39 HG2 MET 39 -14.838 -6.655 2.546 298 HG3 MET 39 HG1 MET 39 -15.652 -6.277 4.074 299 HE1 MET 39 HE1 MET 39 -17.487 -4.185 4.215 300 HE2 MET 39 HE2 MET 39 -17.955 -3.281 2.745 301 HE3 MET 39 HE3 MET 39 -16.294 -3.223 3.333 302 H CYS 40 HN CYS 40 -11.351 -4.450 2.064 303 HA CYS 40 HA CYS 40 -12.107 -6.499 0.138 304 HB2 CYS 40 HB2 CYS 40 -10.695 -3.899 -0.065 305 HB3 CYS 40 HB1 CYS 40 -10.722 -4.985 -1.415 306 H SER 41 HN SER 41 -9.449 -5.503 2.070 307 HA SER 41 HA SER 41 -7.464 -6.231 2.475 308 HB2 SER 41 HB2 SER 41 -8.260 -8.745 0.964 309 HB3 SER 41 HB1 SER 41 -6.895 -8.562 2.077 310 HG SER 41 HG SER 41 -9.501 -9.029 2.638 311 H GLU 42 HN GLU 42 -8.118 -4.744 -0.036 312 HA GLU 42 HA GLU 42 -6.012 -5.525 -1.722 313 HB2 GLU 42 HB2 GLU 42 -8.502 -3.904 -2.030 314 HB3 GLU 42 HB1 GLU 42 -7.158 -3.748 -3.152 315 HG2 GLU 42 HG2 GLU 42 -7.282 -6.065 -3.677 316 HG3 GLU 42 HG1 GLU 42 -8.580 -6.316 -2.508 317 H GLN 43 HN GLN 43 -4.643 -4.428 -1.917 318 HA GLN 43 HA GLN 43 -3.949 -2.270 0.003 319 HB2 GLN 43 HB2 GLN 43 -2.347 -4.207 -1.606 320 HB3 GLN 43 HB1 GLN 43 -1.631 -3.088 -0.403 321 HG2 GLN 43 HG2 GLN 43 -3.031 -4.239 1.301 322 HG3 GLN 43 HG1 GLN 43 -3.596 -5.333 0.058 323 HE21 GLN 43 HE21 GLN 43 -0.981 -4.493 2.150 324 HE22 GLN 43 HE22 GLN 43 -0.045 -5.903 1.840 325 H PHE 44 HN PHE 44 -3.683 -0.362 -0.720 326 HA PHE 44 HA PHE 44 -3.429 0.255 -3.609 327 HB2 PHE 44 HB2 PHE 44 -4.564 1.848 -1.305 328 HB3 PHE 44 HB1 PHE 44 -4.429 2.431 -2.955 329 HD1 PHE 44 HD2 PHE 44 -6.187 0.150 -0.675 330 HD2 PHE 44 HD1 PHE 44 -6.017 1.680 -4.636 331 HE1 PHE 44 HE2 PHE 44 -8.415 -0.783 -1.127 332 HE2 PHE 44 HE1 PHE 44 -8.249 0.752 -5.089 333 HZ PHE 44 HZ PHE 44 -9.448 -0.482 -3.334 334 HA PRO 45 HA PRO 45 0.573 1.966 -2.759 335 HB2 PRO 45 HB2 PRO 45 0.577 4.231 -4.338 336 HB3 PRO 45 HB1 PRO 45 0.845 2.596 -4.950 337 HG2 PRO 45 HG2 PRO 45 -1.665 4.227 -4.929 338 HG3 PRO 45 HG1 PRO 45 -0.996 3.222 -6.225 339 HD2 PRO 45 HD2 PRO 45 -3.001 2.370 -4.674 340 HD3 PRO 45 HD1 PRO 45 -1.743 1.247 -5.244 341 HA PRO 46 HA PRO 46 0.281 5.000 0.519 342 HB2 PRO 46 HB2 PRO 46 2.602 6.418 0.248 343 HB3 PRO 46 HB1 PRO 46 2.589 4.766 0.866 344 HG2 PRO 46 HG2 PRO 46 3.109 5.744 -1.900 345 HG3 PRO 46 HG1 PRO 46 4.014 4.577 -0.907 346 HD2 PRO 46 HD2 PRO 46 2.337 3.704 -2.787 347 HD3 PRO 46 HD1 PRO 46 2.424 2.887 -1.212 348 H ASP 47 HN ASP 47 0.643 6.083 -2.705 349 HA ASP 47 HA ASP 47 0.102 8.865 -2.103 350 HB2 ASP 47 HB2 ASP 47 0.294 9.212 -4.546 351 HB3 ASP 47 HB1 ASP 47 1.711 8.418 -3.863 352 H TYR 48 HN TYR 48 -1.793 6.142 -2.326 353 HA TYR 48 HA TYR 48 -3.965 7.175 -3.770 354 HB2 TYR 48 HB2 TYR 48 -3.261 4.666 -2.878 355 HB3 TYR 48 HB1 TYR 48 -4.385 5.208 -1.628 356 HD1 TYR 48 HD1 TYR 48 -4.057 4.628 -5.248 357 HD2 TYR 48 HD2 TYR 48 -6.725 5.183 -1.997 358 HE1 TYR 48 HE1 TYR 48 -5.921 4.011 -6.691 359 HE2 TYR 48 HE2 TYR 48 -8.620 4.579 -3.437 360 HH TYR 48 HH TYR 48 -8.261 3.043 -6.391 361 H ASP 49 HN ASP 49 -5.153 8.528 -3.037 362 HA ASP 49 HA ASP 49 -4.694 10.224 -0.897 363 HB2 ASP 49 HB2 ASP 49 -6.475 10.323 -3.155 364 HB3 ASP 49 HB1 ASP 49 -7.379 9.980 -1.815 365 H GLN 50 HN GLN 50 -5.330 10.116 1.039 366 HA GLN 50 HA GLN 50 -6.549 7.940 2.289 367 HB2 GLN 50 HB2 GLN 50 -6.185 10.764 3.195 368 HB3 GLN 50 HB1 GLN 50 -7.146 9.662 4.166 369 HG2 GLN 50 HG2 GLN 50 -4.289 9.195 3.327 370 HG3 GLN 50 HG1 GLN 50 -4.806 9.810 4.898 371 HE21 GLN 50 HE21 GLN 50 -7.163 8.058 5.002 372 HE22 GLN 50 HE22 GLN 50 -6.613 6.478 5.339 373 H GLN 51 HN GLN 51 -8.029 10.822 1.020 374 HA GLN 51 HA GLN 51 -10.613 10.109 1.940 375 HB2 GLN 51 HB2 GLN 51 -9.595 12.218 0.102 376 HB3 GLN 51 HB1 GLN 51 -11.324 11.929 0.283 377 HG2 GLN 51 HG2 GLN 51 -9.441 12.532 2.548 378 HG3 GLN 51 HG1 GLN 51 -10.470 13.718 1.744 379 HE21 GLN 51 HE21 GLN 51 -10.456 12.752 4.527 380 HE22 GLN 51 HE22 GLN 51 -12.074 12.222 4.807 381 H VAL 52 HN VAL 52 -8.841 9.533 -1.063 382 HA VAL 52 HA VAL 52 -11.230 8.638 -2.364 383 HB VAL 52 HB VAL 52 -9.871 7.813 -4.188 384 HG11 VAL 52 HG11 VAL 52 -8.905 10.469 -3.321 385 HG12 VAL 52 HG12 VAL 52 -10.296 10.067 -4.350 386 HG13 VAL 52 HG13 VAL 52 -8.650 9.730 -4.904 387 HG21 VAL 52 HG21 VAL 52 -7.406 8.030 -4.213 388 HG22 VAL 52 HG22 VAL 52 -8.081 6.749 -3.229 389 HG23 VAL 52 HG23 VAL 52 -7.467 8.189 -2.452 390 H PHE 53 HN PHE 53 -8.756 7.292 -0.439 391 HA PHE 53 HA PHE 53 -9.393 4.620 -0.870 392 HB2 PHE 53 HB2 PHE 53 -7.220 5.180 0.011 393 HB3 PHE 53 HB1 PHE 53 -7.928 6.029 1.370 394 HD1 PHE 53 HD2 PHE 53 -7.561 2.650 -0.123 395 HD2 PHE 53 HD1 PHE 53 -8.269 4.946 3.385 396 HE1 PHE 53 HE2 PHE 53 -7.376 0.616 1.248 397 HE2 PHE 53 HE1 PHE 53 -8.080 2.921 4.757 398 HZ PHE 53 HZ PHE 53 -7.634 0.757 3.692 399 H GLU 54 HN GLU 54 -10.192 6.957 1.732 400 HA GLU 54 HA GLU 54 -11.859 5.268 3.227 401 HB2 GLU 54 HB2 GLU 54 -11.850 8.249 2.916 402 HB3 GLU 54 HB1 GLU 54 -12.920 7.411 4.019 403 HG2 GLU 54 HG2 GLU 54 -10.996 6.551 5.232 404 HG3 GLU 54 HG1 GLU 54 -9.919 7.370 4.100 405 H ARG 55 HN ARG 55 -12.646 7.553 0.643 406 HA ARG 55 HA ARG 55 -15.414 7.130 0.644 407 HB2 ARG 55 HB2 ARG 55 -13.456 8.196 -1.314 408 HB3 ARG 55 HB1 ARG 55 -15.045 7.786 -1.920 409 HG2 ARG 55 HG2 ARG 55 -14.690 10.228 -1.296 410 HG3 ARG 55 HG1 ARG 55 -16.106 9.457 -0.606 411 HD2 ARG 55 HD2 ARG 55 -13.523 9.696 0.933 412 HD3 ARG 55 HD1 ARG 55 -14.696 11.011 0.901 413 HE ARG 55 HE ARG 55 -16.167 8.855 1.577 414 HH11 ARG 55 HH11 ARG 55 -13.364 10.436 3.064 415 HH12 ARG 55 HH12 ARG 55 -13.598 9.747 4.600 416 HH21 ARG 55 HH21 ARG 55 -16.599 8.061 3.663 417 HH22 ARG 55 HH22 ARG 55 -15.552 8.391 4.979 418 H HIS 56 HN HIS 56 -12.819 5.413 -1.050 419 HA HIS 56 HA HIS 56 -14.340 3.583 -2.476 420 HB2 HIS 56 HB2 HIS 56 -12.024 3.495 -2.943 421 HB3 HIS 56 HB1 HIS 56 -11.590 3.479 -1.245 422 HD1 HIS 56 HD1 HIS 56 -13.038 1.097 -3.847 423 HD2 HIS 56 HD2 HIS 56 -11.020 1.046 -0.233 424 HE1 HIS 56 HE1 HIS 56 -12.489 -1.353 -3.364 425 H VAL 57 HN VAL 57 -13.142 3.402 0.822 426 HA VAL 57 HA VAL 57 -14.013 0.753 1.298 427 HB VAL 57 HB VAL 57 -13.259 2.956 3.249 428 HG11 VAL 57 HG11 VAL 57 -13.589 -0.002 3.754 429 HG12 VAL 57 HG12 VAL 57 -14.648 1.265 4.371 430 HG13 VAL 57 HG13 VAL 57 -12.968 1.176 4.907 431 HG21 VAL 57 HG21 VAL 57 -11.481 2.313 1.771 432 HG22 VAL 57 HG22 VAL 57 -11.771 0.615 2.121 433 HG23 VAL 57 HG23 VAL 57 -11.145 1.682 3.392 434 H GLN 58 HN GLN 58 -15.386 3.835 1.819 435 HA GLN 58 HA GLN 58 -17.504 2.887 3.355 436 HB2 GLN 58 HB2 GLN 58 -16.903 5.421 2.010 437 HB3 GLN 58 HB1 GLN 58 -18.459 5.233 2.862 438 HG2 GLN 58 HG2 GLN 58 -15.653 5.071 3.969 439 HG3 GLN 58 HG1 GLN 58 -16.850 6.320 4.301 440 HE21 GLN 58 HE21 GLN 58 -15.869 3.064 4.959 441 HE22 GLN 58 HE22 GLN 58 -16.898 2.825 6.319 442 H THR 59 HN THR 59 -17.048 2.798 -0.037 443 HA THR 59 HA THR 59 -19.828 3.041 -0.710 444 HB THR 59 HB THR 59 -19.231 2.157 -2.968 445 HG1 THR 59 HG1 THR 59 -16.572 1.971 -1.916 446 HG21 THR 59 HG21 THR 59 -17.384 4.309 -1.959 447 HG22 THR 59 HG22 THR 59 -19.020 4.540 -2.582 448 HG23 THR 59 HG23 THR 59 -17.732 3.985 -3.655 449 H HIS 60 HN HIS 60 -17.589 0.385 -0.162 450 HA HIS 60 HA HIS 60 -19.703 -1.446 -0.569 451 HB2 HIS 60 HB2 HIS 60 -18.002 -3.074 0.409 452 HB3 HIS 60 HB1 HIS 60 -17.827 -2.657 -1.296 453 HD1 HIS 60 HD1 HIS 60 -15.752 -3.826 0.884 454 HD2 HIS 60 HD2 HIS 60 -15.859 0.062 -0.524 455 HE1 HIS 60 HE1 HIS 60 -13.389 -2.878 1.128 456 H PHE 61 HN PHE 61 -18.589 0.274 2.065 457 HA PHE 61 HA PHE 61 -19.982 -1.431 3.959 458 HB2 PHE 61 HB2 PHE 61 -18.687 1.264 4.194 459 HB3 PHE 61 HB1 PHE 61 -19.809 0.728 5.435 460 HD1 PHE 61 HD2 PHE 61 -16.765 -0.332 3.636 461 HD2 PHE 61 HD1 PHE 61 -19.033 -0.513 7.202 462 HE1 PHE 61 HE2 PHE 61 -14.932 -1.509 4.712 463 HE2 PHE 61 HE1 PHE 61 -17.208 -1.721 8.319 464 HZ PHE 61 HZ PHE 61 -15.136 -2.231 7.077 465 H ASP 62 HN ASP 62 -20.658 1.144 1.859 466 HA ASP 62 HA ASP 62 -23.215 1.835 3.044 467 HB2 ASP 62 HB2 ASP 62 -21.907 3.498 1.736 468 HB3 ASP 62 HB1 ASP 62 -22.110 2.471 0.326 469 H GLN 63 HN GLN 63 -22.026 -0.041 0.557 470 HA GLN 63 HA GLN 63 -22.731 -1.766 -0.626 471 HB2 GLN 63 HB2 GLN 63 -24.997 -1.732 1.321 472 HB3 GLN 63 HB1 GLN 63 -25.066 -2.775 -0.092 473 HG2 GLN 63 HG2 GLN 63 -22.846 -2.785 1.941 474 HG3 GLN 63 HG1 GLN 63 -24.206 -3.907 1.928 475 HE21 GLN 63 HE21 GLN 63 -24.238 -4.100 -1.008 476 HE22 GLN 63 HE22 GLN 63 -22.887 -5.070 -1.436 477 H ASN 64 HN ASN 64 -23.968 1.168 -0.825 478 HA ASN 64 HA ASN 64 -24.687 2.363 -2.496 479 HB2 ASN 64 HB2 ASN 64 -24.304 -0.142 -4.130 480 HB3 ASN 64 HB1 ASN 64 -24.811 1.390 -4.832 481 HD21 ASN 64 HD21 ASN 64 -23.342 3.098 -4.882 482 HD22 ASN 64 HD22 ASN 64 -21.654 2.861 -4.662 483 H VAL 65 HN VAL 65 -26.407 0.852 -0.824 484 HA VAL 65 HA VAL 65 -28.586 0.814 -0.355 485 HB VAL 65 HB VAL 65 -28.968 2.631 -2.754 486 HG11 VAL 65 HG11 VAL 65 -30.731 2.222 -0.341 487 HG12 VAL 65 HG12 VAL 65 -31.069 1.676 -1.985 488 HG13 VAL 65 HG13 VAL 65 -30.996 3.401 -1.625 489 HG21 VAL 65 HG21 VAL 65 -28.463 3.333 0.134 490 HG22 VAL 65 HG22 VAL 65 -28.853 4.483 -1.147 491 HG23 VAL 65 HG23 VAL 65 -27.347 3.568 -1.209 492 H LEU 66 HN LEU 66 -28.589 -1.339 -0.836 493 HA LEU 66 HA LEU 66 -29.715 -2.329 -3.293 494 HB2 LEU 66 HB2 LEU 66 -29.570 -3.644 -0.568 495 HB3 LEU 66 HB1 LEU 66 -30.301 -4.418 -1.948 496 HG LEU 66 HG LEU 66 -28.189 -5.372 -1.685 497 HD11 LEU 66 HD11 LEU 66 -26.971 -4.821 -3.703 498 HD12 LEU 66 HD12 LEU 66 -27.938 -3.362 -3.894 499 HD13 LEU 66 HD13 LEU 66 -28.706 -4.952 -3.977 500 HD21 LEU 66 HD21 LEU 66 -27.015 -2.609 -1.539 501 HD22 LEU 66 HD22 LEU 66 -26.099 -4.116 -1.571 502 HD23 LEU 66 HD23 LEU 66 -27.170 -3.762 -0.213 503 H ASN 67 HN ASN 67 -31.690 -2.022 -3.946 504 HA ASN 67 HA ASN 67 -33.745 -1.601 -1.908 505 HB2 ASN 67 HB2 ASN 67 -33.523 -0.410 -4.668 506 HB3 ASN 67 HB1 ASN 67 -35.058 -0.482 -3.823 507 HD21 ASN 67 HD21 ASN 67 -33.869 0.065 -1.170 508 HD22 ASN 67 HD22 ASN 67 -33.429 1.717 -1.215 509 H PHE 68 HN PHE 68 -34.473 -3.567 -1.604 510 HA PHE 68 HA PHE 68 -35.213 -5.368 -3.698 511 HB2 PHE 68 HB2 PHE 68 -34.821 -6.136 -1.361 512 HB3 PHE 68 HB1 PHE 68 -36.173 -5.159 -0.813 513 HD1 PHE 68 HD1 PHE 68 -35.244 -8.118 -2.826 514 HD2 PHE 68 HD2 PHE 68 -38.385 -5.978 -0.906 515 HE1 PHE 68 HE1 PHE 68 -36.746 -10.034 -3.152 516 HE2 PHE 68 HE2 PHE 68 -39.891 -7.889 -1.234 517 HZ PHE 68 HZ PHE 68 -39.075 -9.921 -2.359 518 H ASP 69 HN ASP 69 -36.829 -3.152 -1.595 519 HA ASP 69 HA ASP 69 -38.746 -2.029 -1.598 520 HB2 ASP 69 HB2 ASP 69 -37.337 -0.631 -2.975 521 HB3 ASP 69 HB1 ASP 69 -37.869 -1.482 -4.422 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 29.504 10.039 -0.557 2 H2 GLY 1 HT2 GLY 1 28.317 8.948 -0.033 3 H3 GLY 1 HT3 GLY 1 29.000 9.993 1.055 4 HA2 GLY 1 HA1 GLY 1 27.988 11.879 0.003 5 HA3 GLY 1 HA2 GLY 1 27.324 10.800 -1.226 6 HA PRO 2 HA PRO 2 24.340 11.065 2.385 7 HB2 PRO 2 HB2 PRO 2 22.319 12.371 1.231 8 HB3 PRO 2 HB1 PRO 2 23.728 13.247 1.838 9 HG2 PRO 2 HG2 PRO 2 23.048 12.453 -0.963 10 HG3 PRO 2 HG1 PRO 2 23.711 13.985 -0.369 11 HD2 PRO 2 HD2 PRO 2 25.216 11.966 -1.501 12 HD3 PRO 2 HD1 PRO 2 25.862 13.181 -0.380 13 H HIS 3 HN HIS 3 24.807 9.066 0.222 14 HA HIS 3 HA HIS 3 22.248 7.807 0.340 15 HB2 HIS 3 HB2 HIS 3 22.187 7.274 -2.129 16 HB3 HIS 3 HB1 HIS 3 21.894 8.950 -1.729 17 HD1 HIS 3 HD1 HIS 3 22.592 8.504 -4.580 18 HD2 HIS 3 HD2 HIS 3 25.544 8.999 -1.696 19 HE1 HIS 3 HE1 HIS 3 24.655 9.251 -5.810 20 H MET 4 HN MET 4 22.984 6.274 1.580 21 HA MET 4 HA MET 4 24.754 4.341 0.316 22 HB2 MET 4 HB2 MET 4 24.910 5.179 3.217 23 HB3 MET 4 HB1 MET 4 25.725 3.789 2.525 24 HG2 MET 4 HG2 MET 4 26.910 5.382 0.986 25 HG3 MET 4 HG1 MET 4 26.217 6.692 1.937 26 HE1 MET 4 HE1 MET 4 27.439 3.179 3.283 27 HE2 MET 4 HE2 MET 4 29.142 3.523 3.562 28 HE3 MET 4 HE3 MET 4 28.487 3.566 1.924 29 H ASP 5 HN ASP 5 23.250 2.951 -0.197 30 HA ASP 5 HA ASP 5 21.690 1.770 1.926 31 HB2 ASP 5 HB2 ASP 5 20.572 2.829 -0.688 32 HB3 ASP 5 HB1 ASP 5 19.713 1.697 0.345 33 H VAL 6 HN VAL 6 20.730 -0.255 1.055 34 HA VAL 6 HA VAL 6 22.567 -1.487 -0.882 35 HB VAL 6 HB VAL 6 21.355 -3.026 1.446 36 HG11 VAL 6 HG11 VAL 6 22.180 -4.390 -0.365 37 HG12 VAL 6 HG12 VAL 6 23.227 -4.592 1.043 38 HG13 VAL 6 HG13 VAL 6 23.743 -3.579 -0.300 39 HG21 VAL 6 HG21 VAL 6 23.459 -2.822 2.705 40 HG22 VAL 6 HG22 VAL 6 22.708 -1.246 2.457 41 HG23 VAL 6 HG23 VAL 6 24.085 -1.734 1.470 42 H HIS 7 HN HIS 7 20.166 -0.198 -1.000 43 HA HIS 7 HA HIS 7 18.670 -0.093 -2.283 44 HB2 HIS 7 HB2 HIS 7 19.404 -2.788 -3.338 45 HB3 HIS 7 HB1 HIS 7 17.977 -1.938 -3.928 46 HD1 HIS 7 HD1 HIS 7 18.389 -0.057 -5.656 47 HD2 HIS 7 HD2 HIS 7 21.885 -1.477 -3.903 48 HE1 HIS 7 HE1 HIS 7 20.280 0.960 -6.952 49 H LYS 8 HN LYS 8 18.301 -1.709 0.336 50 HA LYS 8 HA LYS 8 15.636 -2.656 -0.311 51 HB2 LYS 8 HB2 LYS 8 17.284 -3.207 2.185 52 HB3 LYS 8 HB1 LYS 8 15.555 -3.491 2.105 53 HG2 LYS 8 HG2 LYS 8 16.660 -5.575 1.756 54 HG3 LYS 8 HG1 LYS 8 15.919 -5.073 0.244 55 HD2 LYS 8 HD2 LYS 8 18.136 -4.242 -0.501 56 HD3 LYS 8 HD1 LYS 8 18.832 -4.873 0.991 57 HE2 LYS 8 HE2 LYS 8 17.397 -6.514 -1.101 58 HE3 LYS 8 HE1 LYS 8 19.143 -6.408 -0.914 59 HZ1 LYS 8 HZ1 LYS 8 18.283 -8.402 0.091 60 HZ2 LYS 8 HZ2 LYS 8 17.254 -7.568 1.114 61 HZ3 LYS 8 HZ3 LYS 8 18.927 -7.430 1.286 62 H LYS 9 HN LYS 9 14.983 -0.590 -0.727 63 HA LYS 9 HA LYS 9 13.900 0.723 1.679 64 HB2 LYS 9 HB2 LYS 9 14.664 2.114 -0.886 65 HB3 LYS 9 HB1 LYS 9 14.106 2.836 0.606 66 HG2 LYS 9 HG2 LYS 9 16.186 2.396 1.677 67 HG3 LYS 9 HG1 LYS 9 16.737 1.419 0.310 68 HD2 LYS 9 HD2 LYS 9 17.749 3.538 0.049 69 HD3 LYS 9 HD1 LYS 9 16.431 3.421 -1.119 70 HE2 LYS 9 HE2 LYS 9 14.993 4.701 0.471 71 HE3 LYS 9 HE1 LYS 9 16.407 4.928 1.499 72 HZ1 LYS 9 HZ1 LYS 9 17.460 5.956 -0.560 73 HZ2 LYS 9 HZ2 LYS 9 16.305 6.835 0.247 74 HZ3 LYS 9 HZ3 LYS 9 15.875 6.058 -1.180 75 H CYS 10 HN CYS 10 11.797 0.828 1.517 76 HA CYS 10 HA CYS 10 10.330 -0.244 -0.679 77 HB2 CYS 10 HB2 CYS 10 9.562 -0.096 1.707 78 HB3 CYS 10 HB1 CYS 10 9.493 1.634 1.526 79 HA PRO 11 HA PRO 11 11.296 3.543 -2.920 80 HB2 PRO 11 HB2 PRO 11 10.040 2.927 -5.287 81 HB3 PRO 11 HB1 PRO 11 11.662 2.392 -4.850 82 HG2 PRO 11 HG2 PRO 11 9.118 0.887 -4.886 83 HG3 PRO 11 HG1 PRO 11 10.770 0.298 -5.075 84 HD2 PRO 11 HD2 PRO 11 9.190 0.066 -2.791 85 HD3 PRO 11 HD1 PRO 11 10.941 -0.161 -2.854 86 H LEU 12 HN LEU 12 8.269 2.531 -2.072 87 HA LEU 12 HA LEU 12 6.854 4.731 -3.287 88 HB2 LEU 12 HB2 LEU 12 5.983 2.447 -1.557 89 HB3 LEU 12 HB1 LEU 12 4.879 3.696 -2.089 90 HG LEU 12 HG LEU 12 5.188 3.032 -4.393 91 HD11 LEU 12 HD11 LEU 12 6.919 0.797 -3.346 92 HD12 LEU 12 HD12 LEU 12 7.444 2.140 -4.359 93 HD13 LEU 12 HD13 LEU 12 6.327 0.933 -5.003 94 HD21 LEU 12 HD21 LEU 12 4.060 0.858 -4.303 95 HD22 LEU 12 HD22 LEU 12 3.403 2.008 -3.134 96 HD23 LEU 12 HD23 LEU 12 4.493 0.731 -2.605 97 H CYS 13 HN CYS 13 8.003 3.795 -0.121 98 HA CYS 13 HA CYS 13 7.113 6.463 0.891 99 HB2 CYS 13 HB2 CYS 13 7.168 5.552 3.185 100 HB3 CYS 13 HB1 CYS 13 6.026 4.694 2.154 101 H GLU 14 HN GLU 14 9.732 4.424 0.358 102 HA GLU 14 HA GLU 14 11.786 4.316 0.691 103 HB2 GLU 14 HB2 GLU 14 11.699 7.305 0.944 104 HB3 GLU 14 HB1 GLU 14 13.205 6.391 0.956 105 HG2 GLU 14 HG2 GLU 14 12.236 5.330 -1.228 106 HG3 GLU 14 HG1 GLU 14 11.264 6.798 -1.262 107 H LEU 15 HN LEU 15 10.205 3.715 2.785 108 HA LEU 15 HA LEU 15 11.632 4.125 5.230 109 HB2 LEU 15 HB2 LEU 15 9.319 3.097 4.963 110 HB3 LEU 15 HB1 LEU 15 10.098 1.691 4.279 111 HG LEU 15 HG LEU 15 11.262 1.338 6.456 112 HD11 LEU 15 HD11 LEU 15 10.451 2.514 8.418 113 HD12 LEU 15 HD12 LEU 15 9.389 3.487 7.410 114 HD13 LEU 15 HD13 LEU 15 11.143 3.664 7.270 115 HD21 LEU 15 HD21 LEU 15 8.263 1.470 6.582 116 HD22 LEU 15 HD22 LEU 15 9.315 0.468 7.595 117 HD23 LEU 15 HD23 LEU 15 9.207 0.176 5.854 118 H MET 16 HN MET 16 13.379 3.114 5.955 119 HA MET 16 HA MET 16 15.012 1.892 3.868 120 HB2 MET 16 HB2 MET 16 15.613 3.283 6.432 121 HB3 MET 16 HB1 MET 16 16.872 2.450 5.503 122 HG2 MET 16 HG2 MET 16 16.442 3.974 3.634 123 HG3 MET 16 HG1 MET 16 15.153 4.746 4.552 124 HE1 MET 16 HE1 MET 16 19.035 4.074 4.358 125 HE2 MET 16 HE2 MET 16 18.648 3.534 5.994 126 HE3 MET 16 HE3 MET 16 19.619 4.982 5.751 127 H PHE 17 HN PHE 17 15.764 -0.185 4.021 128 HA PHE 17 HA PHE 17 15.205 -1.537 6.549 129 HB2 PHE 17 HB2 PHE 17 15.163 -2.692 3.775 130 HB3 PHE 17 HB1 PHE 17 14.733 -3.536 5.253 131 HD1 PHE 17 HD2 PHE 17 12.755 -2.304 6.593 132 HD2 PHE 17 HD1 PHE 17 13.505 -1.997 2.421 133 HE1 PHE 17 HE2 PHE 17 10.412 -1.670 6.214 134 HE2 PHE 17 HE1 PHE 17 11.182 -1.368 2.034 135 HZ PHE 17 HZ PHE 17 9.625 -1.200 3.920 136 HA PRO 18 HA PRO 18 19.533 -2.572 6.456 137 HB2 PRO 18 HB2 PRO 18 19.466 -5.031 7.629 138 HB3 PRO 18 HB1 PRO 18 19.267 -3.524 8.535 139 HG2 PRO 18 HG2 PRO 18 17.176 -5.412 7.511 140 HG3 PRO 18 HG1 PRO 18 17.294 -4.652 9.106 141 HD2 PRO 18 HD2 PRO 18 15.659 -3.698 7.224 142 HD3 PRO 18 HD1 PRO 18 16.528 -2.610 8.325 143 HA PRO 19 HA PRO 19 20.376 -5.066 2.824 144 HB2 PRO 19 HB2 PRO 19 22.592 -6.448 3.686 145 HB3 PRO 19 HB1 PRO 19 22.632 -4.823 2.992 146 HG2 PRO 19 HG2 PRO 19 22.779 -5.673 5.835 147 HG3 PRO 19 HG1 PRO 19 23.564 -4.310 5.026 148 HD2 PRO 19 HD2 PRO 19 21.418 -3.999 6.634 149 HD3 PRO 19 HD1 PRO 19 21.698 -2.960 5.224 150 H ASN 20 HN ASN 20 20.197 -6.786 5.856 151 HA ASN 20 HA ASN 20 20.110 -9.182 4.386 152 HB2 ASN 20 HB2 ASN 20 21.106 -9.070 6.671 153 HB3 ASN 20 HB1 ASN 20 19.491 -8.879 7.336 154 HD21 ASN 20 HD21 ASN 20 19.523 -10.746 8.547 155 HD22 ASN 20 HD22 ASN 20 19.544 -12.319 7.854 156 H TYR 21 HN TYR 21 17.762 -6.863 4.922 157 HA TYR 21 HA TYR 21 15.504 -8.243 5.571 158 HB2 TYR 21 HB2 TYR 21 15.838 -5.995 5.696 159 HB3 TYR 21 HB1 TYR 21 16.000 -5.753 3.944 160 HD1 TYR 21 HD1 TYR 21 13.990 -6.247 6.808 161 HD2 TYR 21 HD2 TYR 21 13.894 -5.811 2.644 162 HE1 TYR 21 HE1 TYR 21 11.563 -5.677 6.948 163 HE2 TYR 21 HE2 TYR 21 11.517 -5.250 2.712 164 HH TYR 21 HH TYR 21 9.564 -5.526 4.181 165 H ASP 22 HN ASP 22 14.099 -9.055 4.395 166 HA ASP 22 HA ASP 22 15.022 -10.414 1.983 167 HB2 ASP 22 HB2 ASP 22 13.761 -11.521 4.053 168 HB3 ASP 22 HB1 ASP 22 12.368 -10.927 3.197 169 H GLN 23 HN GLN 23 14.092 -10.382 0.188 170 HA GLN 23 HA GLN 23 12.900 -8.129 -0.836 171 HB2 GLN 23 HB2 GLN 23 14.313 -9.744 -1.896 172 HB3 GLN 23 HB1 GLN 23 13.015 -10.928 -1.771 173 HG2 GLN 23 HG2 GLN 23 11.580 -9.456 -2.992 174 HG3 GLN 23 HG1 GLN 23 12.983 -8.399 -3.267 175 HE21 GLN 23 HE21 GLN 23 11.280 -10.028 -4.989 176 HE22 GLN 23 HE22 GLN 23 12.359 -10.991 -5.962 177 H SER 24 HN SER 24 11.672 -11.258 0.290 178 HA SER 24 HA SER 24 9.083 -11.010 -0.772 179 HB2 SER 24 HB2 SER 24 9.907 -12.536 1.702 180 HB3 SER 24 HB1 SER 24 8.576 -12.909 0.598 181 HG SER 24 HG SER 24 11.307 -13.261 0.341 182 H LYS 25 HN LYS 25 10.694 -9.926 2.120 183 HA LYS 25 HA LYS 25 8.294 -9.190 3.493 184 HB2 LYS 25 HB2 LYS 25 10.790 -9.874 4.235 185 HB3 LYS 25 HB1 LYS 25 10.954 -8.136 4.320 186 HG2 LYS 25 HG2 LYS 25 8.962 -9.848 5.786 187 HG3 LYS 25 HG1 LYS 25 10.425 -9.083 6.418 188 HD2 LYS 25 HD2 LYS 25 9.460 -6.871 6.005 189 HD3 LYS 25 HD1 LYS 25 8.042 -7.611 5.266 190 HE2 LYS 25 HE2 LYS 25 8.889 -7.901 8.137 191 HE3 LYS 25 HE1 LYS 25 7.617 -6.833 7.554 192 HZ1 LYS 25 HZ1 LYS 25 6.426 -8.830 6.739 193 HZ2 LYS 25 HZ2 LYS 25 6.631 -8.795 8.398 194 HZ3 LYS 25 HZ3 LYS 25 7.606 -9.810 7.465 195 H PHE 26 HN PHE 26 10.540 -7.846 1.317 196 HA PHE 26 HA PHE 26 9.989 -5.064 1.598 197 HB2 PHE 26 HB2 PHE 26 12.092 -5.778 0.664 198 HB3 PHE 26 HB1 PHE 26 11.279 -6.800 -0.501 199 HD1 PHE 26 HD2 PHE 26 11.973 -3.293 0.404 200 HD2 PHE 26 HD1 PHE 26 10.703 -6.001 -2.614 201 HE1 PHE 26 HE2 PHE 26 12.168 -1.518 -1.280 202 HE2 PHE 26 HE1 PHE 26 10.893 -4.230 -4.301 203 HZ PHE 26 HZ PHE 26 11.627 -1.989 -3.638 204 H GLU 27 HN GLU 27 9.059 -7.521 -0.746 205 HA GLU 27 HA GLU 27 7.343 -5.870 -2.197 206 HB2 GLU 27 HB2 GLU 27 7.539 -8.872 -2.089 207 HB3 GLU 27 HB1 GLU 27 6.510 -7.998 -3.215 208 HG2 GLU 27 HG2 GLU 27 8.488 -6.866 -4.130 209 HG3 GLU 27 HG1 GLU 27 9.502 -7.764 -3.008 210 H GLU 28 HN GLU 28 6.745 -7.930 0.608 211 HA GLU 28 HA GLU 28 3.879 -7.562 0.521 212 HB2 GLU 28 HB2 GLU 28 3.798 -8.439 2.748 213 HB3 GLU 28 HB1 GLU 28 4.979 -9.401 1.867 214 HG2 GLU 28 HG2 GLU 28 6.771 -8.162 2.880 215 HG3 GLU 28 HG1 GLU 28 5.615 -7.138 3.715 216 H HIS 29 HN HIS 29 6.407 -5.569 1.479 217 HA HIS 29 HA HIS 29 4.455 -4.015 2.719 218 HB2 HIS 29 HB2 HIS 29 6.694 -3.883 3.750 219 HB3 HIS 29 HB1 HIS 29 7.386 -3.367 2.232 220 HD1 HIS 29 HD1 HIS 29 8.082 -1.604 4.550 221 HD2 HIS 29 HD2 HIS 29 4.616 -1.012 2.383 222 HE1 HIS 29 HE1 HIS 29 7.557 0.887 4.647 223 H VAL 30 HN VAL 30 6.228 -4.030 -0.306 224 HA VAL 30 HA VAL 30 5.250 -1.525 -1.356 225 HB VAL 30 HB VAL 30 6.010 -4.011 -2.943 226 HG11 VAL 30 HG11 VAL 30 5.996 -1.097 -3.721 227 HG12 VAL 30 HG12 VAL 30 4.816 -2.300 -4.258 228 HG13 VAL 30 HG13 VAL 30 6.509 -2.428 -4.750 229 HG21 VAL 30 HG21 VAL 30 7.752 -1.720 -2.047 230 HG22 VAL 30 HG22 VAL 30 8.250 -3.021 -3.131 231 HG23 VAL 30 HG23 VAL 30 7.832 -3.378 -1.454 232 H GLU 31 HN GLU 31 3.934 -4.771 -1.584 233 HA GLU 31 HA GLU 31 1.678 -3.980 -3.103 234 HB2 GLU 31 HB2 GLU 31 0.785 -6.206 -2.609 235 HB3 GLU 31 HB1 GLU 31 2.532 -6.326 -2.851 236 HG2 GLU 31 HG2 GLU 31 2.967 -6.445 -0.614 237 HG3 GLU 31 HG1 GLU 31 1.312 -6.070 -0.172 238 H SER 32 HN SER 32 2.466 -3.549 0.200 239 HA SER 32 HA SER 32 -0.244 -3.609 1.197 240 HB2 SER 32 HB2 SER 32 1.757 -4.270 2.600 241 HB3 SER 32 HB1 SER 32 2.259 -2.585 2.582 242 HG SER 32 HG SER 32 0.300 -3.858 4.017 243 H HIS 33 HN HIS 33 2.072 -1.318 -0.029 244 HA HIS 33 HA HIS 33 0.641 1.025 0.731 245 HB2 HIS 33 HB2 HIS 33 2.712 0.450 -1.304 246 HB3 HIS 33 HB1 HIS 33 1.837 1.966 -1.339 247 HD1 HIS 33 HD1 HIS 33 1.877 2.756 1.624 248 HD2 HIS 33 HD2 HIS 33 5.016 1.144 -0.491 249 HE1 HIS 33 HE1 HIS 33 3.986 3.706 2.666 250 H TRP 34 HN TRP 34 0.548 -1.258 -2.101 251 HA TRP 34 HA TRP 34 -1.165 0.194 -3.577 252 HB2 TRP 34 HB2 TRP 34 -0.391 -2.677 -3.136 253 HB3 TRP 34 HB1 TRP 34 -1.500 -2.124 -4.440 254 HD1 TRP 34 HD1 TRP 34 1.693 -0.186 -3.684 255 HE1 TRP 34 HE1 TRP 34 3.238 -0.719 -5.541 256 HE3 TRP 34 HE3 TRP 34 -0.884 -3.681 -5.588 257 HZ2 TRP 34 HZ2 TRP 34 3.403 -2.536 -7.759 258 HZ3 TRP 34 HZ3 TRP 34 -0.092 -4.990 -7.733 259 HH2 TRP 34 HH2 TRP 34 2.054 -4.362 -8.735 260 H LYS 35 HN LYS 35 -3.105 0.626 -3.070 261 HA LYS 35 HA LYS 35 -4.099 -0.033 -0.492 262 HB2 LYS 35 HB2 LYS 35 -5.548 1.465 -2.672 263 HB3 LYS 35 HB1 LYS 35 -5.912 1.458 -0.969 264 HG2 LYS 35 HG2 LYS 35 -3.405 2.623 -2.174 265 HG3 LYS 35 HG1 LYS 35 -4.815 3.538 -1.645 266 HD2 LYS 35 HD2 LYS 35 -4.471 2.684 0.646 267 HD3 LYS 35 HD1 LYS 35 -3.032 1.832 0.090 268 HE2 LYS 35 HE2 LYS 35 -3.456 4.820 0.045 269 HE3 LYS 35 HE1 LYS 35 -2.465 3.946 1.203 270 HZ1 LYS 35 HZ1 LYS 35 -1.144 3.186 -0.797 271 HZ2 LYS 35 HZ2 LYS 35 -1.007 4.790 -0.353 272 HZ3 LYS 35 HZ3 LYS 35 -1.973 4.389 -1.680 273 H VAL 36 HN VAL 36 -4.527 -1.840 -0.158 274 HA VAL 36 HA VAL 36 -6.139 -3.439 -1.930 275 HB VAL 36 HB VAL 36 -4.023 -4.263 -1.155 276 HG11 VAL 36 HG11 VAL 36 -5.075 -4.155 1.628 277 HG12 VAL 36 HG12 VAL 36 -3.764 -3.218 0.910 278 HG13 VAL 36 HG13 VAL 36 -3.579 -4.962 1.133 279 HG21 VAL 36 HG21 VAL 36 -5.727 -5.926 -1.698 280 HG22 VAL 36 HG22 VAL 36 -6.333 -5.867 -0.042 281 HG23 VAL 36 HG23 VAL 36 -4.725 -6.515 -0.368 282 H CYS 37 HN CYS 37 -8.250 -3.438 -1.679 283 HA CYS 37 HA CYS 37 -9.474 -2.741 0.821 284 HB2 CYS 37 HB2 CYS 37 -10.344 -2.125 -1.495 285 HB3 CYS 37 HB1 CYS 37 -10.553 -3.825 -1.731 286 HA PRO 38 HA PRO 38 -8.956 -7.011 2.119 287 HB2 PRO 38 HB2 PRO 38 -10.789 -6.986 4.184 288 HB3 PRO 38 HB1 PRO 38 -9.145 -6.350 4.307 289 HG2 PRO 38 HG2 PRO 38 -11.713 -4.890 3.830 290 HG3 PRO 38 HG1 PRO 38 -10.338 -4.431 4.850 291 HD2 PRO 38 HD2 PRO 38 -10.764 -3.378 2.377 292 HD3 PRO 38 HD1 PRO 38 -9.117 -3.617 3.032 293 H MET 39 HN MET 39 -12.021 -5.646 1.379 294 HA MET 39 HA MET 39 -13.280 -8.258 1.123 295 HB2 MET 39 HB2 MET 39 -14.293 -5.476 1.304 296 HB3 MET 39 HB1 MET 39 -15.317 -6.722 0.606 297 HG2 MET 39 HG2 MET 39 -15.412 -7.955 2.563 298 HG3 MET 39 HG1 MET 39 -13.984 -7.186 3.242 299 HE1 MET 39 HE1 MET 39 -13.975 -5.143 4.675 300 HE2 MET 39 HE2 MET 39 -15.222 -3.896 4.649 301 HE3 MET 39 HE3 MET 39 -14.283 -4.232 3.196 302 H CYS 40 HN CYS 40 -11.983 -5.747 -0.915 303 HA CYS 40 HA CYS 40 -13.373 -6.901 -3.202 304 HB2 CYS 40 HB2 CYS 40 -12.010 -4.417 -2.586 305 HB3 CYS 40 HB1 CYS 40 -12.013 -4.863 -4.323 306 H SER 41 HN SER 41 -10.341 -6.806 -1.614 307 HA SER 41 HA SER 41 -8.404 -7.816 -1.862 308 HB2 SER 41 HB2 SER 41 -9.765 -9.505 -3.978 309 HB3 SER 41 HB1 SER 41 -8.275 -9.870 -3.091 310 HG SER 41 HG SER 41 -10.906 -10.039 -2.302 311 H GLU 42 HN GLU 42 -9.242 -5.440 -3.610 312 HA GLU 42 HA GLU 42 -7.404 -5.873 -5.692 313 HB2 GLU 42 HB2 GLU 42 -9.897 -4.261 -5.468 314 HB3 GLU 42 HB1 GLU 42 -8.657 -3.865 -6.625 315 HG2 GLU 42 HG2 GLU 42 -8.798 -6.184 -7.469 316 HG3 GLU 42 HG1 GLU 42 -10.193 -6.436 -6.422 317 H GLN 43 HN GLN 43 -5.994 -4.848 -5.763 318 HA GLN 43 HA GLN 43 -5.137 -2.898 -3.716 319 HB2 GLN 43 HB2 GLN 43 -3.730 -4.552 -5.750 320 HB3 GLN 43 HB1 GLN 43 -2.879 -3.537 -4.559 321 HG2 GLN 43 HG2 GLN 43 -4.072 -5.044 -2.841 322 HG3 GLN 43 HG1 GLN 43 -4.489 -6.038 -4.206 323 HE21 GLN 43 HE21 GLN 43 -2.740 -6.592 -1.881 324 HE22 GLN 43 HE22 GLN 43 -1.252 -7.095 -2.556 325 H PHE 44 HN PHE 44 -5.026 -0.904 -4.280 326 HA PHE 44 HA PHE 44 -5.043 -0.122 -7.110 327 HB2 PHE 44 HB2 PHE 44 -5.549 1.461 -4.595 328 HB3 PHE 44 HB1 PHE 44 -5.632 2.134 -6.206 329 HD1 PHE 44 HD1 PHE 44 -7.319 0.909 -7.819 330 HD2 PHE 44 HD2 PHE 44 -7.471 0.718 -3.579 331 HE1 PHE 44 HE1 PHE 44 -9.696 0.258 -7.936 332 HE2 PHE 44 HE2 PHE 44 -9.842 0.051 -3.685 333 HZ PHE 44 HZ PHE 44 -10.955 -0.170 -5.865 334 HA PRO 45 HA PRO 45 -0.749 0.949 -7.106 335 HB2 PRO 45 HB2 PRO 45 -0.729 3.333 -8.465 336 HB3 PRO 45 HB1 PRO 45 -0.919 1.762 -9.250 337 HG2 PRO 45 HG2 PRO 45 -3.000 3.760 -8.457 338 HG3 PRO 45 HG1 PRO 45 -2.865 2.834 -9.961 339 HD2 PRO 45 HD2 PRO 45 -4.552 2.148 -8.014 340 HD3 PRO 45 HD1 PRO 45 -3.720 0.897 -8.981 341 HA PRO 46 HA PRO 46 0.638 3.345 -3.690 342 HB2 PRO 46 HB2 PRO 46 2.432 4.956 -5.296 343 HB3 PRO 46 HB1 PRO 46 2.814 3.762 -4.064 344 HG2 PRO 46 HG2 PRO 46 2.929 3.475 -6.917 345 HG3 PRO 46 HG1 PRO 46 3.352 2.303 -5.667 346 HD2 PRO 46 HD2 PRO 46 1.187 2.131 -7.431 347 HD3 PRO 46 HD1 PRO 46 1.403 1.168 -5.959 348 H ASP 47 HN ASP 47 0.038 5.221 -6.626 349 HA ASP 47 HA ASP 47 -0.178 7.667 -5.164 350 HB2 ASP 47 HB2 ASP 47 -0.659 7.071 -8.068 351 HB3 ASP 47 HB1 ASP 47 -0.965 8.659 -7.376 352 H TYR 48 HN TYR 48 -2.321 5.196 -5.346 353 HA TYR 48 HA TYR 48 -4.685 6.720 -5.354 354 HB2 TYR 48 HB2 TYR 48 -3.987 3.970 -5.401 355 HB3 TYR 48 HB1 TYR 48 -4.884 4.262 -3.911 356 HD1 TYR 48 HD1 TYR 48 -5.036 4.496 -7.578 357 HD2 TYR 48 HD2 TYR 48 -7.213 4.698 -3.931 358 HE1 TYR 48 HE1 TYR 48 -7.137 4.445 -8.841 359 HE2 TYR 48 HE2 TYR 48 -9.315 4.660 -5.186 360 HH TYR 48 HH TYR 48 -9.493 3.843 -8.475 361 H ASP 49 HN ASP 49 -5.107 7.919 -3.885 362 HA ASP 49 HA ASP 49 -3.627 8.488 -1.617 363 HB2 ASP 49 HB2 ASP 49 -5.290 9.904 -3.100 364 HB3 ASP 49 HB1 ASP 49 -6.455 9.253 -1.997 365 H GLN 50 HN GLN 50 -4.164 8.252 0.383 366 HA GLN 50 HA GLN 50 -5.469 5.905 1.280 367 HB2 GLN 50 HB2 GLN 50 -4.325 8.266 2.729 368 HB3 GLN 50 HB1 GLN 50 -5.281 7.077 3.599 369 HG2 GLN 50 HG2 GLN 50 -2.966 6.249 1.898 370 HG3 GLN 50 HG1 GLN 50 -2.730 6.810 3.550 371 HE21 GLN 50 HE21 GLN 50 -5.646 5.014 2.788 372 HE22 GLN 50 HE22 GLN 50 -5.154 3.573 3.592 373 H GLN 51 HN GLN 51 -6.398 9.286 1.177 374 HA GLN 51 HA GLN 51 -8.839 8.863 2.558 375 HB2 GLN 51 HB2 GLN 51 -9.436 11.148 1.879 376 HB3 GLN 51 HB1 GLN 51 -7.783 11.068 2.466 377 HG2 GLN 51 HG2 GLN 51 -7.032 10.981 0.095 378 HG3 GLN 51 HG1 GLN 51 -8.693 11.314 -0.374 379 HE21 GLN 51 HE21 GLN 51 -6.126 12.805 -0.632 380 HE22 GLN 51 HE22 GLN 51 -6.484 14.373 -0.008 381 H VAL 52 HN VAL 52 -7.936 8.893 -0.852 382 HA VAL 52 HA VAL 52 -10.530 8.654 -1.925 383 HB VAL 52 HB VAL 52 -7.803 7.777 -2.939 384 HG11 VAL 52 HG11 VAL 52 -9.485 6.340 -3.963 385 HG12 VAL 52 HG12 VAL 52 -8.754 7.462 -5.101 386 HG13 VAL 52 HG13 VAL 52 -10.392 7.774 -4.490 387 HG21 VAL 52 HG21 VAL 52 -8.060 9.621 -4.454 388 HG22 VAL 52 HG22 VAL 52 -8.175 10.179 -2.773 389 HG23 VAL 52 HG23 VAL 52 -9.631 10.006 -3.764 390 H PHE 53 HN PHE 53 -8.166 6.372 -0.856 391 HA PHE 53 HA PHE 53 -9.546 4.022 -1.497 392 HB2 PHE 53 HB2 PHE 53 -7.187 4.033 -1.200 393 HB3 PHE 53 HB1 PHE 53 -7.325 4.626 0.439 394 HD1 PHE 53 HD2 PHE 53 -8.561 1.778 -1.622 395 HD2 PHE 53 HD1 PHE 53 -6.945 3.090 2.086 396 HE1 PHE 53 HE2 PHE 53 -8.457 -0.546 -0.845 397 HE2 PHE 53 HE1 PHE 53 -6.837 0.768 2.868 398 HZ PHE 53 HZ PHE 53 -7.587 -1.051 1.395 399 H GLU 54 HN GLU 54 -9.341 5.934 1.523 400 HA GLU 54 HA GLU 54 -10.857 4.201 3.128 401 HB2 GLU 54 HB2 GLU 54 -10.809 7.214 3.260 402 HB3 GLU 54 HB1 GLU 54 -11.432 6.154 4.509 403 HG2 GLU 54 HG2 GLU 54 -9.147 5.228 4.785 404 HG3 GLU 54 HG1 GLU 54 -8.590 6.399 3.595 405 H ARG 55 HN ARG 55 -11.832 6.715 0.921 406 HA ARG 55 HA ARG 55 -14.581 6.682 1.650 407 HB2 ARG 55 HB2 ARG 55 -13.062 7.763 -0.648 408 HB3 ARG 55 HB1 ARG 55 -14.812 7.706 -0.781 409 HG2 ARG 55 HG2 ARG 55 -13.931 9.926 -0.046 410 HG3 ARG 55 HG1 ARG 55 -15.071 9.215 1.088 411 HD2 ARG 55 HD2 ARG 55 -13.287 8.601 2.573 412 HD3 ARG 55 HD1 ARG 55 -12.076 9.014 1.368 413 HE ARG 55 HE ARG 55 -13.648 11.269 1.976 414 HH11 ARG 55 HH11 ARG 55 -11.162 9.249 3.570 415 HH12 ARG 55 HH12 ARG 55 -10.453 10.546 4.374 416 HH21 ARG 55 HH21 ARG 55 -12.606 13.028 3.076 417 HH22 ARG 55 HH22 ARG 55 -11.253 12.730 4.097 418 H HIS 56 HN HIS 56 -12.751 4.670 -0.391 419 HA HIS 56 HA HIS 56 -15.045 3.421 -1.615 420 HB2 HIS 56 HB2 HIS 56 -13.066 3.423 -2.956 421 HB3 HIS 56 HB1 HIS 56 -12.071 2.868 -1.625 422 HD1 HIS 56 HD1 HIS 56 -14.837 1.464 -3.913 423 HD2 HIS 56 HD2 HIS 56 -11.561 0.225 -1.660 424 HE1 HIS 56 HE1 HIS 56 -14.529 -0.998 -4.380 425 H VAL 57 HN VAL 57 -12.706 2.728 0.889 426 HA VAL 57 HA VAL 57 -13.557 0.030 1.316 427 HB VAL 57 HB VAL 57 -11.721 1.822 2.922 428 HG11 VAL 57 HG11 VAL 57 -12.160 -1.154 3.156 429 HG12 VAL 57 HG12 VAL 57 -12.628 0.056 4.354 430 HG13 VAL 57 HG13 VAL 57 -10.924 -0.218 3.998 431 HG21 VAL 57 HG21 VAL 57 -10.997 1.327 0.704 432 HG22 VAL 57 HG22 VAL 57 -11.230 -0.401 0.989 433 HG23 VAL 57 HG23 VAL 57 -9.996 0.490 1.887 434 H GLN 58 HN GLN 58 -14.168 3.093 2.851 435 HA GLN 58 HA GLN 58 -15.377 2.045 5.127 436 HB2 GLN 58 HB2 GLN 58 -15.350 4.689 3.844 437 HB3 GLN 58 HB1 GLN 58 -16.362 4.437 5.289 438 HG2 GLN 58 HG2 GLN 58 -13.370 4.140 5.007 439 HG3 GLN 58 HG1 GLN 58 -14.226 5.387 5.912 440 HE21 GLN 58 HE21 GLN 58 -13.212 2.072 5.876 441 HE22 GLN 58 HE22 GLN 58 -13.549 1.724 7.526 442 H THR 59 HN THR 59 -16.622 2.146 1.978 443 HA THR 59 HA THR 59 -19.372 2.395 2.763 444 HB THR 59 HB THR 59 -19.912 1.750 0.445 445 HG1 THR 59 HG1 THR 59 -17.167 1.573 -0.260 446 HG21 THR 59 HG21 THR 59 -18.799 3.574 -0.746 447 HG22 THR 59 HG22 THR 59 -17.603 3.688 0.547 448 HG23 THR 59 HG23 THR 59 -19.293 4.081 0.871 449 H HIS 60 HN HIS 60 -17.064 -0.089 1.998 450 HA HIS 60 HA HIS 60 -18.704 -2.376 2.046 451 HB2 HIS 60 HB2 HIS 60 -15.765 -2.109 2.741 452 HB3 HIS 60 HB1 HIS 60 -16.591 -3.626 2.459 453 HD1 HIS 60 HD1 HIS 60 -16.544 -4.464 0.059 454 HD2 HIS 60 HD2 HIS 60 -15.644 -0.423 0.368 455 HE1 HIS 60 HE1 HIS 60 -15.400 -3.757 -2.168 456 H PHE 61 HN PHE 61 -17.098 -0.526 4.533 457 HA PHE 61 HA PHE 61 -17.851 -2.426 6.604 458 HB2 PHE 61 HB2 PHE 61 -16.343 0.169 6.707 459 HB3 PHE 61 HB1 PHE 61 -16.825 -0.727 8.140 460 HD1 PHE 61 HD1 PHE 61 -15.888 -2.908 8.586 461 HD2 PHE 61 HD2 PHE 61 -14.584 -0.516 5.393 462 HE1 PHE 61 HE1 PHE 61 -13.831 -4.270 8.461 463 HE2 PHE 61 HE2 PHE 61 -12.482 -1.868 5.231 464 HZ PHE 61 HZ PHE 61 -12.126 -3.738 6.772 465 H ASP 62 HN ASP 62 -19.168 0.262 5.049 466 HA ASP 62 HA ASP 62 -20.658 1.141 7.382 467 HB2 ASP 62 HB2 ASP 62 -19.918 2.836 5.730 468 HB3 ASP 62 HB1 ASP 62 -20.847 2.019 4.487 469 H GLN 63 HN GLN 63 -21.525 0.359 4.246 470 HA GLN 63 HA GLN 63 -23.285 -0.481 3.253 471 HB2 GLN 63 HB2 GLN 63 -23.045 -2.577 5.410 472 HB3 GLN 63 HB1 GLN 63 -23.985 -2.787 3.944 473 HG2 GLN 63 HG2 GLN 63 -21.012 -2.313 4.063 474 HG3 GLN 63 HG1 GLN 63 -21.792 -3.870 3.830 475 HE21 GLN 63 HE21 GLN 63 -20.789 -4.197 1.868 476 HE22 GLN 63 HE22 GLN 63 -21.186 -3.300 0.443 477 H ASN 64 HN ASN 64 -23.872 1.329 5.571 478 HA ASN 64 HA ASN 64 -26.448 0.376 6.638 479 HB2 ASN 64 HB2 ASN 64 -24.627 0.807 8.253 480 HB3 ASN 64 HB1 ASN 64 -24.521 2.460 7.673 481 HD21 ASN 64 HD21 ASN 64 -24.995 3.367 9.605 482 HD22 ASN 64 HD22 ASN 64 -26.551 3.265 10.356 483 H VAL 65 HN VAL 65 -24.769 3.021 5.072 484 HA VAL 65 HA VAL 65 -27.075 4.761 5.044 485 HB VAL 65 HB VAL 65 -25.713 6.258 3.649 486 HG11 VAL 65 HG11 VAL 65 -24.166 5.124 5.961 487 HG12 VAL 65 HG12 VAL 65 -25.447 6.327 6.061 488 HG13 VAL 65 HG13 VAL 65 -23.929 6.720 5.247 489 HG21 VAL 65 HG21 VAL 65 -24.532 4.621 2.273 490 HG22 VAL 65 HG22 VAL 65 -23.654 4.040 3.687 491 HG23 VAL 65 HG23 VAL 65 -23.371 5.671 3.091 492 H LEU 66 HN LEU 66 -27.271 2.075 3.752 493 HA LEU 66 HA LEU 66 -27.917 1.012 1.901 494 HB2 LEU 66 HB2 LEU 66 -29.161 3.707 1.261 495 HB3 LEU 66 HB1 LEU 66 -29.441 2.261 0.325 496 HG LEU 66 HG LEU 66 -30.514 1.228 2.349 497 HD11 LEU 66 HD11 LEU 66 -31.250 2.664 4.169 498 HD12 LEU 66 HD12 LEU 66 -30.325 4.006 3.498 499 HD13 LEU 66 HD13 LEU 66 -29.491 2.574 4.096 500 HD21 LEU 66 HD21 LEU 66 -32.586 2.505 2.156 501 HD22 LEU 66 HD22 LEU 66 -31.840 2.191 0.586 502 HD23 LEU 66 HD23 LEU 66 -31.711 3.788 1.323 503 H ASN 67 HN ASN 67 -25.791 0.736 1.263 504 HA ASN 67 HA ASN 67 -24.719 2.699 -0.573 505 HB2 ASN 67 HB2 ASN 67 -23.251 1.719 1.185 506 HB3 ASN 67 HB1 ASN 67 -23.412 0.151 0.396 507 HD21 ASN 67 HD21 ASN 67 -22.287 -0.223 -1.537 508 HD22 ASN 67 HD22 ASN 67 -21.117 0.901 -2.129 509 H PHE 68 HN PHE 68 -25.470 2.598 -2.510 510 HA PHE 68 HA PHE 68 -26.229 0.060 -3.659 511 HB2 PHE 68 HB2 PHE 68 -26.420 2.857 -4.800 512 HB3 PHE 68 HB1 PHE 68 -27.083 1.406 -5.538 513 HD1 PHE 68 HD1 PHE 68 -28.911 0.180 -4.364 514 HD2 PHE 68 HD2 PHE 68 -27.597 4.026 -3.132 515 HE1 PHE 68 HE1 PHE 68 -30.997 0.485 -3.101 516 HE2 PHE 68 HE2 PHE 68 -29.677 4.337 -1.866 517 HZ PHE 68 HZ PHE 68 -31.379 2.558 -1.847 518 H ASP 69 HN ASP 69 -24.339 -0.994 -4.030 519 HA ASP 69 HA ASP 69 -22.505 0.317 -5.840 520 HB2 ASP 69 HB2 ASP 69 -20.872 -1.466 -5.396 521 HB3 ASP 69 HB1 ASP 69 -21.393 -0.731 -3.897
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