NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504144 | 2djr | 10257 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.204 -11.189 13.646 2 HA2 GLY 1 1HA GLY 1 4.025 -11.023 15.046 3 HA3 GLY 1 2HA GLY 1 4.078 -12.779 15.095 4 H SER 2 H SER 2 6.424 -11.450 15.097 5 HA SER 2 HA SER 2 7.441 -11.148 12.415 6 HB2 SER 2 1HB SER 2 8.181 -9.878 14.565 7 HB3 SER 2 2HB SER 2 9.174 -11.303 14.866 8 HG SER 2 HG SER 2 9.678 -9.264 13.243 9 H SER 3 H SER 3 7.092 -13.223 11.532 10 HA SER 3 HA SER 3 8.500 -15.475 12.730 11 HB2 SER 3 1HB SER 3 6.157 -15.633 11.721 12 HB3 SER 3 2HB SER 3 6.939 -15.502 10.146 13 HG SER 3 HG SER 3 7.693 -17.440 12.065 14 H GLY 4 H GLY 4 8.503 -13.611 9.706 15 HA2 GLY 4 1HA GLY 4 11.141 -14.791 9.092 16 HA3 GLY 4 2HA GLY 4 10.008 -14.223 7.875 17 H SER 5 H SER 5 10.759 -12.460 6.922 18 HA SER 5 HA SER 5 12.806 -10.835 7.761 19 HB2 SER 5 1HB SER 5 12.025 -9.196 6.129 20 HB3 SER 5 2HB SER 5 11.849 -10.824 5.474 21 HG SER 5 HG SER 5 9.745 -9.434 6.766 22 H SER 6 H SER 6 12.721 -8.511 8.378 23 HA SER 6 HA SER 6 10.517 -7.961 10.253 24 HB2 SER 6 1HB SER 6 12.815 -8.689 11.255 25 HB3 SER 6 2HB SER 6 13.322 -7.054 10.830 26 HG SER 6 HG SER 6 10.910 -7.321 12.192 27 H GLY 7 H GLY 7 9.724 -5.911 10.277 28 HA2 GLY 7 1HA GLY 7 10.594 -3.496 9.841 29 HA3 GLY 7 2HA GLY 7 10.769 -4.112 8.205 30 H SER 8 H SER 8 8.181 -4.808 10.513 31 HA SER 8 HA SER 8 6.217 -4.073 8.515 32 HB2 SER 8 1HB SER 8 6.180 -5.518 11.120 33 HB3 SER 8 2HB SER 8 4.685 -4.742 10.598 34 HG SER 8 HG SER 8 4.433 -6.279 9.201 35 H GLU 9 H GLU 9 7.879 -1.979 9.710 36 HA GLU 9 HA GLU 9 6.291 -0.496 11.561 37 HB2 GLU 9 1HB GLU 9 8.671 -0.150 11.541 38 HB3 GLU 9 2HB GLU 9 8.644 0.282 9.837 39 HG2 GLU 9 1HG GLU 9 7.074 2.195 10.613 40 HG3 GLU 9 2HG GLU 9 7.760 1.868 12.203 41 H ALA 10 H ALA 10 6.542 -0.649 8.086 42 HA ALA 10 HA ALA 10 5.389 1.763 7.343 43 HB1 ALA 10 1HB ALA 10 5.080 -0.928 6.015 44 HB2 ALA 10 2HB ALA 10 4.729 0.632 5.269 45 HB3 ALA 10 3HB ALA 10 6.381 0.231 5.737 46 H TRP 11 H TRP 11 3.906 -1.133 8.622 47 HA TRP 11 HA TRP 11 1.257 -0.754 7.909 48 HB2 TRP 11 1HB TRP 11 2.614 -2.058 10.230 49 HB3 TRP 11 2HB TRP 11 0.867 -1.844 10.287 50 HD1 TRP 11 HD TRP 11 3.396 -4.236 9.144 51 HE1 TRP 11 1HE TRP 11 2.367 -5.977 7.551 52 HE3 TRP 11 3HE TRP 11 -1.051 -1.912 8.165 53 HZ2 TRP 11 2HZ TRP 11 -0.014 -6.319 6.074 54 HZ3 TRP 11 3HZ TRP 11 -2.649 -3.012 6.651 55 HH2 TRP 11 HH TRP 11 -2.139 -5.170 5.628 56 H GLU 12 H GLU 12 3.191 0.961 10.228 57 HA GLU 12 HA GLU 12 1.197 2.071 11.839 58 HB2 GLU 12 1HB GLU 12 3.836 3.274 10.987 59 HB3 GLU 12 2HB GLU 12 2.837 3.866 12.307 60 HG2 GLU 12 1HG GLU 12 3.926 1.069 12.216 61 HG3 GLU 12 2HG GLU 12 4.795 2.418 12.946 62 H TYR 13 H TYR 13 1.852 2.567 8.550 63 HA TYR 13 HA TYR 13 0.376 5.113 8.545 64 HB2 TYR 13 1HB TYR 13 2.055 3.961 6.312 65 HB3 TYR 13 2HB TYR 13 1.368 5.579 6.396 66 HD1 TYR 13 1HD TYR 13 2.366 7.284 7.816 67 HD2 TYR 13 2HD TYR 13 4.037 3.378 7.586 68 HE1 TYR 13 1HE TYR 13 4.426 8.109 8.878 69 HE2 TYR 13 2HE TYR 13 6.101 4.191 8.648 70 HH TYR 13 HH TYR 13 6.761 7.524 9.068 71 H PHE 14 H PHE 14 -0.563 2.197 8.604 72 HA PHE 14 HA PHE 14 -2.680 2.572 6.654 73 HB2 PHE 14 1HB PHE 14 -0.939 0.098 6.633 74 HB3 PHE 14 2HB PHE 14 -2.406 0.323 5.686 75 HD1 PHE 14 1HD PHE 14 1.007 1.667 6.217 76 HD2 PHE 14 2HD PHE 14 -2.331 1.350 3.594 77 HE1 PHE 14 1HE PHE 14 2.336 2.677 4.409 78 HE2 PHE 14 2HE PHE 14 -1.006 2.359 1.782 79 HZ PHE 14 HZ PHE 14 1.330 3.023 2.188 80 H HIS 15 H HIS 15 -4.537 1.288 7.062 81 HA HIS 15 HA HIS 15 -4.519 -0.224 9.578 82 HB2 HIS 15 1HB HIS 15 -6.195 0.989 10.562 83 HB3 HIS 15 2HB HIS 15 -5.439 2.273 9.623 84 HD1 HIS 15 1HD HIS 15 -8.158 -0.313 8.931 85 HD2 HIS 15 2HD HIS 15 -7.320 3.714 8.345 86 HE1 HIS 15 1HE HIS 15 -10.167 0.627 7.746 87 H LEU 16 H LEU 16 -5.577 -2.107 9.469 88 HA LEU 16 HA LEU 16 -6.734 -2.927 6.976 89 HB2 LEU 16 1HB LEU 16 -6.402 -4.280 9.641 90 HB3 LEU 16 2HB LEU 16 -7.204 -5.052 8.275 91 HG LEU 16 HG LEU 16 -4.348 -4.085 8.234 92 HD11 LEU 16 1HD1 LEU 16 -4.706 -5.899 9.878 93 HD12 LEU 16 2HD1 LEU 16 -3.684 -6.379 8.524 94 HD13 LEU 16 3HD1 LEU 16 -5.368 -6.899 8.585 95 HD21 LEU 16 1HD2 LEU 16 -6.113 -5.549 6.314 96 HD22 LEU 16 2HD2 LEU 16 -4.368 -5.805 6.294 97 HD23 LEU 16 3HD2 LEU 16 -5.026 -4.191 6.024 98 H ALA 17 H ALA 17 -8.835 -3.162 6.439 99 HA ALA 17 HA ALA 17 -10.808 -2.049 8.278 100 HB1 ALA 17 1HB ALA 17 -12.220 -2.529 6.038 101 HB2 ALA 17 2HB ALA 17 -11.287 -1.057 6.310 102 HB3 ALA 17 3HB ALA 17 -10.601 -2.372 5.356 103 HA PRO 18 HA PRO 18 -12.740 -5.841 9.351 104 HB2 PRO 18 1HB PRO 18 -15.368 -5.159 9.359 105 HB3 PRO 18 2HB PRO 18 -14.230 -4.612 10.596 106 HG2 PRO 18 1HG PRO 18 -15.249 -3.160 8.185 107 HG3 PRO 18 2HG PRO 18 -15.022 -2.561 9.838 108 HD2 PRO 18 1HD PRO 18 -13.252 -2.061 7.851 109 HD3 PRO 18 2HD PRO 18 -12.757 -2.244 9.546 110 H ALA 19 H ALA 19 -13.888 -7.624 8.549 111 HA ALA 19 HA ALA 19 -13.882 -7.964 5.761 112 HB1 ALA 19 1HB ALA 19 -15.084 -9.573 7.996 113 HB2 ALA 19 2HB ALA 19 -15.202 -10.068 6.307 114 HB3 ALA 19 3HB ALA 19 -13.620 -9.901 7.068 115 H ARG 20 H ARG 20 -16.609 -7.588 8.023 116 HA ARG 20 HA ARG 20 -18.868 -7.362 7.548 117 HB2 ARG 20 1HB ARG 20 -19.268 -5.131 6.480 118 HB3 ARG 20 2HB ARG 20 -18.144 -5.099 7.832 119 HG2 ARG 20 1HG ARG 20 -17.152 -3.726 6.242 120 HG3 ARG 20 2HG ARG 20 -16.303 -5.263 6.061 121 HD2 ARG 20 1HD ARG 20 -17.453 -5.793 4.089 122 HD3 ARG 20 2HD ARG 20 -18.702 -4.586 4.391 123 HE ARG 20 HE ARG 20 -16.463 -3.096 4.147 124 HH11 ARG 20 2HH1 ARG 20 -17.902 -5.576 2.173 125 HH12 ARG 20 1HH1 ARG 20 -17.294 -4.928 0.686 126 HH21 ARG 20 2HH2 ARG 20 -15.656 -2.233 2.196 127 HH22 ARG 20 1HH2 ARG 20 -16.016 -3.027 0.700 128 H ALA 21 H ALA 21 -17.738 -9.226 5.752 129 HA ALA 21 HA ALA 21 -19.715 -9.245 3.727 130 HB1 ALA 21 1HB ALA 21 -18.276 -7.544 2.721 131 HB2 ALA 21 2HB ALA 21 -16.912 -8.662 2.776 132 HB3 ALA 21 3HB ALA 21 -18.304 -9.018 1.753 133 H GLY 22 H GLY 22 -19.113 -11.026 2.016 134 HA2 GLY 22 1HA GLY 22 -18.778 -13.435 3.407 135 HA3 GLY 22 2HA GLY 22 -18.699 -13.255 1.660 136 H HIS 23 H HIS 23 -16.470 -11.609 1.424 137 HA HIS 23 HA HIS 23 -14.380 -13.509 1.619 138 HB2 HIS 23 1HB HIS 23 -14.724 -11.410 0.037 139 HB3 HIS 23 2HB HIS 23 -13.770 -10.606 1.280 140 HD1 HIS 23 1HD HIS 23 -11.561 -12.415 1.916 141 HD2 HIS 23 2HD HIS 23 -13.059 -12.134 -1.949 142 HE1 HIS 23 1HE HIS 23 -9.717 -13.240 0.418 143 H HIS 24 H HIS 24 -12.907 -13.874 3.161 144 HA HIS 24 HA HIS 24 -13.192 -13.031 5.765 145 HB2 HIS 24 1HB HIS 24 -11.254 -14.191 6.232 146 HB3 HIS 24 2HB HIS 24 -11.678 -14.890 4.673 147 HD1 HIS 24 1HD HIS 24 -9.025 -13.062 6.412 148 HD2 HIS 24 2HD HIS 24 -10.106 -13.839 2.476 149 HE1 HIS 24 1HE HIS 24 -6.992 -12.515 5.036 150 HA PRO 25 HA PRO 25 -11.595 -8.956 6.090 151 HB2 PRO 25 1HB PRO 25 -10.476 -9.018 8.563 152 HB3 PRO 25 2HB PRO 25 -12.224 -9.012 8.300 153 HG2 PRO 25 1HG PRO 25 -10.406 -11.315 8.895 154 HG3 PRO 25 2HG PRO 25 -12.010 -10.955 9.559 155 HD2 PRO 25 1HD PRO 25 -11.622 -12.771 7.588 156 HD3 PRO 25 2HD PRO 25 -13.102 -11.798 7.712 157 H ASN 26 H ASN 26 -9.540 -7.730 6.737 158 HA ASN 26 HA ASN 26 -7.325 -7.299 6.439 159 HB2 ASN 26 1HB ASN 26 -7.210 -9.411 7.962 160 HB3 ASN 26 2HB ASN 26 -6.714 -10.239 6.489 161 HD21 ASN 26 1HD2 ASN 26 -5.119 -9.996 8.772 162 HD22 ASN 26 2HD2 ASN 26 -3.742 -9.030 8.375 163 H GLN 27 H GLN 27 -8.978 -7.548 4.189 164 HA GLN 27 HA GLN 27 -7.396 -8.982 2.197 165 HB2 GLN 27 1HB GLN 27 -9.236 -8.420 0.651 166 HB3 GLN 27 2HB GLN 27 -9.801 -9.278 2.078 167 HG2 GLN 27 1HG GLN 27 -9.856 -6.299 2.040 168 HG3 GLN 27 2HG GLN 27 -11.097 -7.208 1.178 169 HE21 GLN 27 1HE2 GLN 27 -10.635 -5.613 3.892 170 HE22 GLN 27 2HE2 GLN 27 -11.605 -6.526 4.992 171 H TYR 28 H TYR 28 -8.322 -5.720 3.118 172 HA TYR 28 HA TYR 28 -6.299 -4.694 1.246 173 HB2 TYR 28 1HB TYR 28 -9.131 -3.803 1.617 174 HB3 TYR 28 2HB TYR 28 -7.908 -2.611 1.193 175 HD1 TYR 28 2HD TYR 28 -9.429 -5.813 0.086 176 HD2 TYR 28 1HD TYR 28 -7.189 -2.372 -1.029 177 HE1 TYR 28 2HE TYR 28 -9.635 -6.453 -2.280 178 HE2 TYR 28 1HE TYR 28 -7.390 -3.001 -3.398 179 HH TYR 28 HH TYR 28 -9.146 -4.453 -4.774 180 H ALA 29 H ALA 29 -5.542 -2.485 1.835 181 HA ALA 29 HA ALA 29 -5.652 -2.034 4.744 182 HB1 ALA 29 1HB ALA 29 -3.207 -1.178 4.341 183 HB2 ALA 29 2HB ALA 29 -3.531 -2.895 4.588 184 HB3 ALA 29 3HB ALA 29 -3.279 -2.271 2.958 185 H THR 30 H THR 30 -6.158 -0.023 5.333 186 HA THR 30 HA THR 30 -6.418 2.010 3.254 187 HB THR 30 HB THR 30 -7.321 2.202 6.130 188 HG1 THR 30 1HG THR 30 -9.285 1.406 5.435 189 HG21 THR 30 1HG2 THR 30 -7.110 4.305 4.761 190 HG22 THR 30 2HG2 THR 30 -8.730 3.975 5.377 191 HG23 THR 30 3HG2 THR 30 -8.344 3.645 3.689 192 H CYS 31 H CYS 31 -4.786 3.360 2.928 193 HA CYS 31 HA CYS 31 -2.611 3.680 4.696 194 HB2 CYS 31 1HB CYS 31 -2.723 4.084 2.147 195 HB3 CYS 31 2HB CYS 31 -3.335 5.680 2.568 196 H ARG 32 H ARG 32 -2.489 4.818 6.505 197 HA ARG 32 HA ARG 32 -4.570 6.680 7.222 198 HB2 ARG 32 1HB ARG 32 -2.044 5.906 8.695 199 HB3 ARG 32 2HB ARG 32 -3.369 6.849 9.363 200 HG2 ARG 32 1HG ARG 32 -4.868 4.935 9.082 201 HG3 ARG 32 2HG ARG 32 -3.528 3.991 8.429 202 HD2 ARG 32 1HD ARG 32 -3.823 3.433 10.750 203 HD3 ARG 32 2HD ARG 32 -2.314 4.325 10.562 204 HE ARG 32 HE ARG 32 -3.207 6.057 11.792 205 HH11 ARG 32 2HH1 ARG 32 -5.692 3.751 11.002 206 HH12 ARG 32 1HH1 ARG 32 -6.860 4.445 12.077 207 HH21 ARG 32 2HH2 ARG 32 -4.735 6.980 13.212 208 HH22 ARG 32 1HH2 ARG 32 -6.315 6.282 13.333 209 H LEU 33 H LEU 33 -1.935 6.979 5.320 210 HA LEU 33 HA LEU 33 -1.086 9.596 6.272 211 HB2 LEU 33 1HB LEU 33 -0.134 7.699 4.169 212 HB3 LEU 33 2HB LEU 33 0.350 9.392 4.105 213 HG LEU 33 HG LEU 33 0.871 7.552 6.438 214 HD11 LEU 33 1HD1 LEU 33 3.053 7.244 5.662 215 HD12 LEU 33 2HD1 LEU 33 2.910 8.534 4.469 216 HD13 LEU 33 3HD1 LEU 33 2.046 7.015 4.233 217 HD21 LEU 33 1HD2 LEU 33 1.749 9.305 7.520 218 HD22 LEU 33 2HD2 LEU 33 0.788 10.279 6.408 219 HD23 LEU 33 3HD2 LEU 33 2.488 9.961 6.059 220 H CYS 34 H CYS 34 -2.418 8.194 3.279 221 HA CYS 34 HA CYS 34 -3.413 10.875 2.573 222 HB2 CYS 34 1HB CYS 34 -3.422 10.101 0.233 223 HB3 CYS 34 2HB CYS 34 -1.814 10.007 0.944 224 H GLY 35 H GLY 35 -4.220 7.450 2.775 225 HA2 GLY 35 1HA GLY 35 -6.414 6.818 3.573 226 HA3 GLY 35 2HA GLY 35 -7.067 8.217 2.733 227 H ARG 36 H ARG 36 -4.695 6.122 1.261 228 HA ARG 36 HA ARG 36 -6.739 5.283 -0.676 229 HB2 ARG 36 1HB ARG 36 -3.790 5.756 -0.860 230 HB3 ARG 36 2HB ARG 36 -4.552 4.638 -1.983 231 HG2 ARG 36 1HG ARG 36 -6.219 6.672 -2.297 232 HG3 ARG 36 2HG ARG 36 -4.802 7.581 -1.769 233 HD2 ARG 36 1HD ARG 36 -3.550 6.161 -3.545 234 HD3 ARG 36 2HD ARG 36 -5.162 5.875 -4.200 235 HE ARG 36 HE ARG 36 -4.511 8.651 -3.739 236 HH11 ARG 36 2HH1 ARG 36 -4.489 5.998 -5.994 237 HH12 ARG 36 1HH1 ARG 36 -4.425 7.018 -7.393 238 HH21 ARG 36 2HH2 ARG 36 -4.427 10.004 -5.574 239 HH22 ARG 36 1HH2 ARG 36 -4.389 9.296 -7.153 240 H GLN 37 H GLN 37 -7.057 3.149 -1.178 241 HA GLN 37 HA GLN 37 -6.277 1.237 0.813 242 HB2 GLN 37 1HB GLN 37 -7.762 0.837 -1.790 243 HB3 GLN 37 2HB GLN 37 -7.619 -0.350 -0.500 244 HG2 GLN 37 1HG GLN 37 -8.998 0.863 0.934 245 HG3 GLN 37 2HG GLN 37 -8.821 2.345 -0.003 246 HE21 GLN 37 1HE2 GLN 37 -11.260 2.040 0.431 247 HE22 GLN 37 2HE2 GLN 37 -12.143 1.272 -0.840 248 H VAL 38 H VAL 38 -4.775 -0.345 0.702 249 HA VAL 38 HA VAL 38 -3.327 -0.717 -1.829 250 HB VAL 38 HB VAL 38 -2.029 -0.366 0.877 251 HG11 VAL 38 1HG1 VAL 38 -0.428 -1.676 0.038 252 HG12 VAL 38 2HG1 VAL 38 -1.120 -1.623 -1.585 253 HG13 VAL 38 3HG1 VAL 38 -0.051 -0.331 -1.038 254 HG21 VAL 38 1HG2 VAL 38 -1.954 1.345 -1.606 255 HG22 VAL 38 2HG2 VAL 38 -2.726 1.751 -0.073 256 HG23 VAL 38 3HG2 VAL 38 -0.971 1.603 -0.164 257 H SER 39 H SER 39 -4.173 -2.721 -2.237 258 HA SER 39 HA SER 39 -4.490 -4.750 -0.285 259 HB2 SER 39 1HB SER 39 -4.985 -6.222 -2.141 260 HB3 SER 39 2HB SER 39 -5.730 -4.655 -2.455 261 HG SER 39 HG SER 39 -4.138 -4.198 -3.922 262 H ARG 40 H ARG 40 -3.374 -6.869 -0.355 263 HA ARG 40 HA ARG 40 -0.505 -6.542 -0.946 264 HB2 ARG 40 1HB ARG 40 -1.700 -8.180 1.295 265 HB3 ARG 40 2HB ARG 40 0.009 -7.900 0.992 266 HG2 ARG 40 1HG ARG 40 -0.418 -5.460 1.376 267 HG3 ARG 40 2HG ARG 40 -2.043 -5.902 1.904 268 HD2 ARG 40 1HD ARG 40 0.418 -7.128 3.113 269 HD3 ARG 40 2HD ARG 40 -0.257 -5.611 3.705 270 HE ARG 40 HE ARG 40 -2.033 -6.774 4.612 271 HH11 ARG 40 2HH1 ARG 40 -0.107 -8.877 2.614 272 HH12 ARG 40 1HH1 ARG 40 -0.878 -10.326 3.170 273 HH21 ARG 40 2HH2 ARG 40 -3.055 -8.675 5.352 274 HH22 ARG 40 1HH2 ARG 40 -2.555 -10.210 4.726 275 H GLY 41 H GLY 41 -2.637 -9.256 -0.036 276 HA2 GLY 41 1HA GLY 41 -3.232 -11.104 -1.345 277 HA3 GLY 41 2HA GLY 41 -2.138 -10.540 -2.600 278 HA PRO 42 HA PRO 42 -0.240 -14.206 -0.443 279 HB2 PRO 42 1HB PRO 42 0.302 -15.583 -2.719 280 HB3 PRO 42 2HB PRO 42 -1.243 -15.704 -1.868 281 HG2 PRO 42 1HG PRO 42 -0.532 -14.083 -4.282 282 HG3 PRO 42 2HG PRO 42 -1.988 -15.045 -3.970 283 HD2 PRO 42 1HD PRO 42 -1.931 -12.353 -3.684 284 HD3 PRO 42 2HD PRO 42 -2.950 -13.399 -2.674 285 H GLY 43 H GLY 43 1.958 -14.705 -0.327 286 HA2 GLY 43 1HA GLY 43 4.191 -14.152 -0.384 287 HA3 GLY 43 2HA GLY 43 3.962 -14.178 -2.126 288 H VAL 44 H VAL 44 3.477 -12.063 0.694 289 HA VAL 44 HA VAL 44 4.263 -9.790 -1.014 290 HB VAL 44 HB VAL 44 2.272 -9.798 1.258 291 HG11 VAL 44 1HG1 VAL 44 3.369 -7.753 1.490 292 HG12 VAL 44 2HG1 VAL 44 3.569 -7.555 -0.252 293 HG13 VAL 44 3HG1 VAL 44 1.976 -7.366 0.481 294 HG21 VAL 44 1HG2 VAL 44 1.568 -10.657 -1.024 295 HG22 VAL 44 2HG2 VAL 44 0.614 -9.332 -0.355 296 HG23 VAL 44 3HG2 VAL 44 1.813 -9.011 -1.608 297 H ASN 45 H ASN 45 4.284 -11.149 2.253 298 HA ASN 45 HA ASN 45 6.018 -9.173 3.346 299 HB2 ASN 45 1HB ASN 45 5.470 -11.981 4.336 300 HB3 ASN 45 2HB ASN 45 6.192 -10.674 5.270 301 HD21 ASN 45 1HD2 ASN 45 3.347 -12.220 4.405 302 HD22 ASN 45 2HD2 ASN 45 2.226 -11.070 5.041 303 H VAL 46 H VAL 46 7.567 -9.247 1.504 304 HA VAL 46 HA VAL 46 9.583 -11.361 1.911 305 HB VAL 46 HB VAL 46 10.321 -10.977 -0.402 306 HG11 VAL 46 1HG1 VAL 46 8.863 -12.792 -0.200 307 HG12 VAL 46 2HG1 VAL 46 7.465 -11.754 0.092 308 HG13 VAL 46 3HG1 VAL 46 8.180 -11.841 -1.519 309 HG21 VAL 46 1HG2 VAL 46 8.208 -9.694 -1.634 310 HG22 VAL 46 2HG2 VAL 46 8.488 -8.733 -0.182 311 HG23 VAL 46 3HG2 VAL 46 9.804 -9.010 -1.323 312 H GLY 47 H GLY 47 9.458 -9.007 3.493 313 HA2 GLY 47 1HA GLY 47 11.415 -7.895 4.344 314 HA3 GLY 47 2HA GLY 47 12.014 -7.779 2.695 315 H THR 48 H THR 48 10.602 -6.436 1.203 316 HA THR 48 HA THR 48 10.097 -3.903 2.532 317 HB THR 48 HB THR 48 10.022 -4.580 -0.415 318 HG1 THR 48 1HG THR 48 12.117 -4.319 -0.350 319 HG21 THR 48 1HG2 THR 48 8.734 -2.621 -0.105 320 HG22 THR 48 2HG2 THR 48 10.331 -2.063 -0.607 321 HG23 THR 48 3HG2 THR 48 9.860 -1.979 1.091 322 H THR 49 H THR 49 8.166 -4.529 3.654 323 HA THR 49 HA THR 49 5.876 -5.645 2.813 324 HB THR 49 HB THR 49 5.634 -3.002 4.212 325 HG1 THR 49 1HG THR 49 7.362 -3.884 5.282 326 HG21 THR 49 1HG2 THR 49 4.075 -5.448 3.920 327 HG22 THR 49 2HG2 THR 49 3.566 -3.836 4.424 328 HG23 THR 49 3HG2 THR 49 4.261 -4.950 5.601 329 H ALA 50 H ALA 50 4.473 -5.382 1.209 330 HA ALA 50 HA ALA 50 4.635 -3.817 -0.944 331 HB1 ALA 50 1HB ALA 50 1.870 -4.017 0.079 332 HB2 ALA 50 2HB ALA 50 2.540 -4.478 -1.486 333 HB3 ALA 50 3HB ALA 50 2.765 -5.528 -0.087 334 H LEU 51 H LEU 51 3.391 -2.778 2.172 335 HA LEU 51 HA LEU 51 2.250 -0.342 1.427 336 HB2 LEU 51 1HB LEU 51 3.733 -0.847 3.997 337 HB3 LEU 51 2HB LEU 51 2.420 0.296 3.718 338 HG LEU 51 HG LEU 51 2.105 -2.701 3.598 339 HD11 LEU 51 1HD1 LEU 51 1.519 -0.781 5.847 340 HD12 LEU 51 2HD1 LEU 51 2.719 -2.074 5.847 341 HD13 LEU 51 3HD1 LEU 51 1.000 -2.466 5.789 342 HD21 LEU 51 1HD2 LEU 51 0.509 -1.128 2.349 343 HD22 LEU 51 2HD2 LEU 51 -0.045 -0.638 3.951 344 HD23 LEU 51 3HD2 LEU 51 -0.193 -2.321 3.442 345 H TRP 52 H TRP 52 5.529 -0.938 2.701 346 HA TRP 52 HA TRP 52 6.637 1.511 2.672 347 HB2 TRP 52 1HB TRP 52 7.816 -1.091 1.708 348 HB3 TRP 52 2HB TRP 52 8.775 0.383 1.826 349 HD1 TRP 52 HD TRP 52 7.559 -2.493 3.861 350 HE1 TRP 52 1HE TRP 52 8.226 -2.175 6.327 351 HE3 TRP 52 3HE TRP 52 9.045 2.396 3.677 352 HZ2 TRP 52 2HZ TRP 52 9.247 -0.124 7.975 353 HZ3 TRP 52 3HZ TRP 52 9.852 3.461 5.742 354 HH2 TRP 52 HH TRP 52 9.950 2.226 7.846 355 H LYS 53 H LYS 53 6.418 -0.557 -0.223 356 HA LYS 53 HA LYS 53 7.563 1.057 -2.101 357 HB2 LYS 53 1HB LYS 53 5.293 -0.882 -2.206 358 HB3 LYS 53 2HB LYS 53 5.631 0.094 -3.630 359 HG2 LYS 53 1HG LYS 53 7.897 -0.768 -3.714 360 HG3 LYS 53 2HG LYS 53 7.613 -1.702 -2.243 361 HD2 LYS 53 1HD LYS 53 5.621 -2.699 -3.613 362 HD3 LYS 53 2HD LYS 53 6.548 -2.128 -5.003 363 HE2 LYS 53 1HE LYS 53 8.529 -3.359 -3.896 364 HE3 LYS 53 2HE LYS 53 7.290 -4.184 -2.951 365 HZ1 LYS 53 1HZ LYS 53 7.788 -5.497 -4.858 366 HZ2 LYS 53 2HZ LYS 53 7.576 -4.185 -5.904 367 HZ3 LYS 53 3HZ LYS 53 6.247 -4.837 -5.085 368 H HIS 54 H HIS 54 4.242 1.258 -0.883 369 HA HIS 54 HA HIS 54 3.492 3.421 -2.581 370 HB2 HIS 54 1HB HIS 54 1.815 1.923 -1.622 371 HB3 HIS 54 2HB HIS 54 2.258 2.439 0.002 372 HD1 HIS 54 1HD HIS 54 0.911 4.014 -3.191 373 HD2 HIS 54 2HD HIS 54 0.719 4.457 0.936 374 HE1 HIS 54 1HE HIS 54 -0.753 5.856 -2.790 375 H LEU 55 H LEU 55 4.769 3.173 0.691 376 HA LEU 55 HA LEU 55 4.404 5.865 1.438 377 HB2 LEU 55 1HB LEU 55 6.414 3.811 2.342 378 HB3 LEU 55 2HB LEU 55 6.213 5.390 3.099 379 HG LEU 55 HG LEU 55 3.986 3.372 2.920 380 HD11 LEU 55 1HD1 LEU 55 6.176 3.666 4.941 381 HD12 LEU 55 2HD1 LEU 55 5.539 2.203 4.189 382 HD13 LEU 55 3HD1 LEU 55 4.587 3.055 5.404 383 HD21 LEU 55 1HD2 LEU 55 4.163 5.357 5.089 384 HD22 LEU 55 2HD2 LEU 55 2.768 4.804 4.163 385 HD23 LEU 55 3HD2 LEU 55 3.862 6.007 3.478 386 H LYS 56 H LYS 56 7.103 4.183 -0.117 387 HA LYS 56 HA LYS 56 8.675 6.606 -0.285 388 HB2 LYS 56 1HB LYS 56 9.202 3.944 -1.612 389 HB3 LYS 56 2HB LYS 56 10.359 5.239 -1.331 390 HG2 LYS 56 1HG LYS 56 10.632 4.712 0.863 391 HG3 LYS 56 2HG LYS 56 8.989 4.087 1.032 392 HD2 LYS 56 1HD LYS 56 9.560 2.043 -0.018 393 HD3 LYS 56 2HD LYS 56 11.105 2.683 -0.584 394 HE2 LYS 56 1HE LYS 56 10.521 2.572 2.344 395 HE3 LYS 56 2HE LYS 56 11.019 1.109 1.495 396 HZ1 LYS 56 1HZ LYS 56 12.849 2.447 2.533 397 HZ2 LYS 56 2HZ LYS 56 12.555 3.639 1.370 398 HZ3 LYS 56 3HZ LYS 56 13.056 2.097 0.891 399 H SER 57 H SER 57 6.150 5.281 -2.025 400 HA SER 57 HA SER 57 7.003 6.113 -4.652 401 HB2 SER 57 1HB SER 57 5.520 4.203 -4.480 402 HB3 SER 57 2HB SER 57 4.322 5.165 -3.614 403 HG SER 57 HG SER 57 3.680 5.112 -5.724 404 H MET 58 H MET 58 4.781 7.289 -2.163 405 HA MET 58 HA MET 58 4.687 9.866 -3.587 406 HB2 MET 58 1HB MET 58 2.410 10.194 -2.781 407 HB3 MET 58 2HB MET 58 2.519 8.718 -3.730 408 HG2 MET 58 1HG MET 58 2.351 7.354 -1.838 409 HG3 MET 58 2HG MET 58 2.715 8.684 -0.742 410 HE1 MET 58 1HE MET 58 -0.148 7.626 -3.479 411 HE2 MET 58 2HE MET 58 -1.095 9.093 -3.228 412 HE3 MET 58 3HE MET 58 0.578 9.206 -3.776 413 H HIS 59 H HIS 59 4.646 8.200 -0.481 414 HA HIS 59 HA HIS 59 4.977 10.699 0.970 415 HB2 HIS 59 1HB HIS 59 4.967 7.869 2.036 416 HB3 HIS 59 2HB HIS 59 4.823 9.348 2.980 417 HD1 HIS 59 1HD HIS 59 2.591 10.838 2.232 418 HD2 HIS 59 2HD HIS 59 2.576 6.755 1.464 419 HE1 HIS 59 1HE HIS 59 0.173 10.223 1.915 420 H ARG 60 H ARG 60 7.034 9.579 -0.913 421 HA ARG 60 HA ARG 60 9.234 8.503 0.346 422 HB2 ARG 60 1HB ARG 60 9.395 8.690 -1.977 423 HB3 ARG 60 2HB ARG 60 8.951 10.392 -1.967 424 HG2 ARG 60 1HG ARG 60 11.477 9.599 -0.624 425 HG3 ARG 60 2HG ARG 60 11.428 9.603 -2.388 426 HD2 ARG 60 1HD ARG 60 10.373 11.965 -2.074 427 HD3 ARG 60 2HD ARG 60 11.108 11.875 -0.474 428 HE ARG 60 HE ARG 60 12.881 11.297 -2.686 429 HH11 ARG 60 2HH1 ARG 60 11.622 13.704 -0.509 430 HH12 ARG 60 1HH1 ARG 60 12.963 14.782 -0.718 431 HH21 ARG 60 2HH2 ARG 60 14.652 12.707 -2.969 432 HH22 ARG 60 1HH2 ARG 60 14.685 14.214 -2.118 433 H GLU 61 H GLU 61 8.206 11.880 0.224 434 HA GLU 61 HA GLU 61 10.505 12.947 1.492 435 HB2 GLU 61 1HB GLU 61 7.751 13.936 0.901 436 HB3 GLU 61 2HB GLU 61 8.730 14.827 2.057 437 HG2 GLU 61 1HG GLU 61 10.398 15.276 0.437 438 HG3 GLU 61 2HG GLU 61 9.683 14.142 -0.707 439 H GLU 62 H GLU 62 7.402 11.771 2.686 440 HA GLU 62 HA GLU 62 7.628 12.629 5.341 441 HB2 GLU 62 1HB GLU 62 5.515 11.838 4.584 442 HB3 GLU 62 2HB GLU 62 6.190 10.290 4.097 443 HG2 GLU 62 1HG GLU 62 5.152 9.709 6.042 444 HG3 GLU 62 2HG GLU 62 6.770 10.079 6.636 445 H LEU 63 H LEU 63 8.549 9.528 3.860 446 HA LEU 63 HA LEU 63 9.533 8.302 6.171 447 HB2 LEU 63 1HB LEU 63 10.504 7.933 3.341 448 HB3 LEU 63 2HB LEU 63 10.736 6.809 4.678 449 HG LEU 63 HG LEU 63 8.092 7.522 3.411 450 HD11 LEU 63 1HD1 LEU 63 8.160 5.518 2.271 451 HD12 LEU 63 2HD1 LEU 63 9.378 4.827 3.343 452 HD13 LEU 63 3HD1 LEU 63 9.837 6.055 2.164 453 HD21 LEU 63 1HD2 LEU 63 7.566 7.004 5.613 454 HD22 LEU 63 2HD2 LEU 63 8.855 5.808 5.746 455 HD23 LEU 63 3HD2 LEU 63 7.414 5.451 4.792 456 H GLU 64 H GLU 64 11.349 10.007 3.616 457 HA GLU 64 HA GLU 64 13.862 9.871 4.792 458 HB2 GLU 64 1HB GLU 64 12.628 11.903 2.942 459 HB3 GLU 64 2HB GLU 64 14.304 12.013 3.462 460 HG2 GLU 64 1HG GLU 64 13.365 9.449 2.300 461 HG3 GLU 64 2HG GLU 64 13.615 10.818 1.218 462 H LYS 65 H LYS 65 11.382 12.394 5.106 463 HA LYS 65 HA LYS 65 12.809 14.135 6.758 464 HB2 LYS 65 1HB LYS 65 10.532 14.459 5.584 465 HB3 LYS 65 2HB LYS 65 9.842 13.710 7.018 466 HG2 LYS 65 1HG LYS 65 10.445 15.477 8.389 467 HG3 LYS 65 2HG LYS 65 11.682 16.053 7.271 468 HD2 LYS 65 1HD LYS 65 9.934 17.596 7.051 469 HD3 LYS 65 2HD LYS 65 9.747 16.523 5.662 470 HE2 LYS 65 1HE LYS 65 8.301 15.850 8.172 471 HE3 LYS 65 2HE LYS 65 7.698 17.188 7.197 472 HZ1 LYS 65 1HZ LYS 65 6.760 14.906 6.713 473 HZ2 LYS 65 2HZ LYS 65 8.260 14.528 6.030 474 HZ3 LYS 65 3HZ LYS 65 7.327 15.781 5.381 475 H SER 66 H SER 66 10.466 11.610 7.681 476 HA SER 66 HA SER 66 10.763 11.899 10.452 477 HB2 SER 66 1HB SER 66 9.759 9.645 10.603 478 HB3 SER 66 2HB SER 66 8.892 10.672 9.462 479 HG SER 66 HG SER 66 9.538 9.449 7.845 480 H GLY 67 H GLY 67 11.592 10.000 11.854 481 HA2 GLY 67 1HA GLY 67 14.416 9.785 11.353 482 HA3 GLY 67 2HA GLY 67 13.552 9.156 12.748 483 H HIS 68 H HIS 68 13.358 8.521 9.246 484 HA HIS 68 HA HIS 68 13.905 5.688 9.827 485 HB2 HIS 68 1HB HIS 68 11.837 6.770 7.903 486 HB3 HIS 68 2HB HIS 68 12.267 5.071 8.075 487 HD1 HIS 68 1HD HIS 68 12.192 4.615 11.023 488 HD2 HIS 68 2HD HIS 68 9.422 7.026 9.079 489 HE1 HIS 68 1HE HIS 68 10.182 4.681 12.533 490 H GLY 69 H GLY 69 16.063 5.937 9.177 491 HA2 GLY 69 1HA GLY 69 16.758 7.071 6.640 492 HA3 GLY 69 2HA GLY 69 17.826 6.170 7.707 493 H GLN 70 H GLN 70 17.833 3.863 7.585 494 HA GLN 70 HA GLN 70 16.945 2.881 4.957 495 HB2 GLN 70 1HB GLN 70 18.754 1.272 5.062 496 HB3 GLN 70 2HB GLN 70 19.390 2.891 5.316 497 HG2 GLN 70 1HG GLN 70 19.863 2.509 7.532 498 HG3 GLN 70 2HG GLN 70 18.670 1.218 7.673 499 HE21 GLN 70 1HE2 GLN 70 19.708 -0.572 8.181 500 HE22 GLN 70 2HE2 GLN 70 21.140 -1.166 7.420 501 H SER 71 H SER 71 15.908 0.904 4.783 502 HA SER 71 HA SER 71 14.931 -0.224 7.326 503 HB2 SER 71 1HB SER 71 13.222 0.944 5.873 504 HB3 SER 71 2HB SER 71 13.488 -0.319 4.671 505 HG SER 71 HG SER 71 13.069 -1.685 6.761 506 H GLY 72 H GLY 72 17.338 -1.109 6.264 507 HA2 GLY 72 1HA GLY 72 16.771 -3.909 5.965 508 HA3 GLY 72 2HA GLY 72 17.395 -3.185 4.490 509 HA PRO 73 HA PRO 73 20.819 -2.994 7.948 510 HB2 PRO 73 1HB PRO 73 20.547 -4.890 9.873 511 HB3 PRO 73 2HB PRO 73 19.878 -3.261 10.027 512 HG2 PRO 73 1HG PRO 73 18.512 -5.802 9.227 513 HG3 PRO 73 2HG PRO 73 17.946 -4.522 10.316 514 HD2 PRO 73 1HD PRO 73 17.110 -4.726 7.749 515 HD3 PRO 73 2HD PRO 73 17.277 -3.165 8.578 516 H SER 74 H SER 74 19.356 -6.205 7.443 517 HA SER 74 HA SER 74 21.972 -7.139 6.454 518 HB2 SER 74 1HB SER 74 21.561 -9.296 7.353 519 HB3 SER 74 2HB SER 74 21.107 -8.167 8.630 520 HG SER 74 HG SER 74 18.906 -8.391 7.573 521 H SER 75 H SER 75 20.217 -5.859 4.746 522 HA SER 75 HA SER 75 19.615 -8.021 2.888 523 HB2 SER 75 1HB SER 75 17.473 -7.764 3.936 524 HB3 SER 75 2HB SER 75 17.567 -6.006 3.832 525 HG SER 75 HG SER 75 17.554 -6.282 1.517 526 H GLY 76 H GLY 76 19.753 -7.435 0.736 527 HA2 GLY 76 1HA GLY 76 20.241 -4.607 0.121 528 HA3 GLY 76 2HA GLY 76 21.485 -5.778 -0.290 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.375 -11.864 14.208 2 HA2 GLY 1 1HA GLY 1 -1.382 -14.718 14.506 3 HA3 GLY 1 2HA GLY 1 -1.694 -14.219 12.850 4 H SER 2 H SER 2 -0.080 -12.530 12.016 5 HA SER 2 HA SER 2 2.456 -13.672 11.933 6 HB2 SER 2 1HB SER 2 1.327 -11.030 11.110 7 HB3 SER 2 2HB SER 2 3.079 -11.231 11.111 8 HG SER 2 HG SER 2 1.154 -12.721 9.663 9 H SER 3 H SER 3 4.424 -13.168 12.877 10 HA SER 3 HA SER 3 4.478 -11.184 15.017 11 HB2 SER 3 1HB SER 3 4.934 -14.139 15.400 12 HB3 SER 3 2HB SER 3 5.626 -12.945 16.497 13 HG SER 3 HG SER 3 3.585 -12.293 17.062 14 H GLY 4 H GLY 4 6.347 -10.101 15.054 15 HA2 GLY 4 1HA GLY 4 8.489 -9.466 14.528 16 HA3 GLY 4 2HA GLY 4 8.897 -11.172 14.641 17 H SER 5 H SER 5 7.926 -8.584 12.497 18 HA SER 5 HA SER 5 8.676 -10.278 10.204 19 HB2 SER 5 1HB SER 5 6.374 -9.743 9.944 20 HB3 SER 5 2HB SER 5 6.635 -8.064 10.415 21 HG SER 5 HG SER 5 8.071 -8.951 8.217 22 H SER 6 H SER 6 9.996 -9.405 8.610 23 HA SER 6 HA SER 6 11.863 -7.445 9.503 24 HB2 SER 6 1HB SER 6 12.460 -9.371 8.031 25 HB3 SER 6 2HB SER 6 11.556 -8.606 6.724 26 HG SER 6 HG SER 6 12.993 -6.855 6.831 27 H GLY 7 H GLY 7 12.036 -5.322 9.026 28 HA2 GLY 7 1HA GLY 7 11.150 -3.232 8.546 29 HA3 GLY 7 2HA GLY 7 11.260 -3.859 6.908 30 H SER 8 H SER 8 9.096 -4.363 9.701 31 HA SER 8 HA SER 8 6.825 -4.003 7.858 32 HB2 SER 8 1HB SER 8 5.530 -5.477 9.296 33 HB3 SER 8 2HB SER 8 7.025 -6.287 8.826 34 HG SER 8 HG SER 8 7.724 -5.157 10.975 35 H GLU 9 H GLU 9 8.206 -1.864 9.201 36 HA GLU 9 HA GLU 9 6.428 -1.053 11.359 37 HB2 GLU 9 1HB GLU 9 7.941 0.779 11.715 38 HB3 GLU 9 2HB GLU 9 8.890 -0.686 11.507 39 HG2 GLU 9 1HG GLU 9 9.700 -0.036 9.456 40 HG3 GLU 9 2HG GLU 9 8.352 1.058 9.151 41 H ALA 10 H ALA 10 6.671 -0.714 7.997 42 HA ALA 10 HA ALA 10 5.679 1.871 7.573 43 HB1 ALA 10 1HB ALA 10 5.893 -0.606 5.989 44 HB2 ALA 10 2HB ALA 10 4.684 0.558 5.447 45 HB3 ALA 10 3HB ALA 10 6.373 1.044 5.592 46 H TRP 11 H TRP 11 4.175 -0.830 8.949 47 HA TRP 11 HA TRP 11 1.519 -0.528 8.100 48 HB2 TRP 11 1HB TRP 11 2.818 -1.728 10.518 49 HB3 TRP 11 2HB TRP 11 1.065 -1.559 10.469 50 HD1 TRP 11 HD TRP 11 3.692 -3.945 9.599 51 HE1 TRP 11 1HE TRP 11 2.807 -5.763 8.007 52 HE3 TRP 11 3HE TRP 11 -0.698 -1.730 8.198 53 HZ2 TRP 11 2HZ TRP 11 0.547 -6.200 6.373 54 HZ3 TRP 11 3HZ TRP 11 -2.164 -2.914 6.616 55 HH2 TRP 11 HH TRP 11 -1.552 -5.102 5.723 56 H GLU 12 H GLU 12 3.439 1.300 10.321 57 HA GLU 12 HA GLU 12 1.445 2.455 11.907 58 HB2 GLU 12 1HB GLU 12 4.105 3.560 10.994 59 HB3 GLU 12 2HB GLU 12 3.089 4.330 12.205 60 HG2 GLU 12 1HG GLU 12 4.095 1.514 12.472 61 HG3 GLU 12 2HG GLU 12 4.981 2.915 13.071 62 H TYR 13 H TYR 13 1.999 2.766 8.597 63 HA TYR 13 HA TYR 13 0.496 5.298 8.495 64 HB2 TYR 13 1HB TYR 13 2.184 4.143 6.275 65 HB3 TYR 13 2HB TYR 13 1.513 5.766 6.382 66 HD1 TYR 13 1HD TYR 13 2.470 7.393 7.996 67 HD2 TYR 13 2HD TYR 13 4.248 3.585 7.331 68 HE1 TYR 13 1HE TYR 13 4.550 8.188 9.042 69 HE2 TYR 13 2HE TYR 13 6.332 4.369 8.376 70 HH TYR 13 HH TYR 13 6.541 7.106 10.235 71 H PHE 14 H PHE 14 -0.350 2.355 8.641 72 HA PHE 14 HA PHE 14 -2.455 2.598 6.654 73 HB2 PHE 14 1HB PHE 14 -0.589 0.219 6.743 74 HB3 PHE 14 2HB PHE 14 -2.101 0.268 5.841 75 HD1 PHE 14 1HD PHE 14 1.235 1.845 6.135 76 HD2 PHE 14 2HD PHE 14 -2.196 1.205 3.698 77 HE1 PHE 14 1HE PHE 14 2.420 2.825 4.214 78 HE2 PHE 14 2HE PHE 14 -1.016 2.183 1.774 79 HZ PHE 14 HZ PHE 14 1.295 2.994 2.030 80 H HIS 15 H HIS 15 -4.283 1.286 7.090 81 HA HIS 15 HA HIS 15 -4.264 -0.204 9.608 82 HB2 HIS 15 1HB HIS 15 -5.889 1.036 10.656 83 HB3 HIS 15 2HB HIS 15 -5.079 2.314 9.754 84 HD1 HIS 15 1HD HIS 15 -7.975 -0.081 9.101 85 HD2 HIS 15 2HD HIS 15 -6.853 3.866 8.450 86 HE1 HIS 15 1HE HIS 15 -9.934 0.993 7.947 87 H LEU 16 H LEU 16 -5.347 -2.063 9.459 88 HA LEU 16 HA LEU 16 -6.549 -2.848 7.007 89 HB2 LEU 16 1HB LEU 16 -6.603 -4.177 9.713 90 HB3 LEU 16 2HB LEU 16 -7.109 -4.926 8.200 91 HG LEU 16 HG LEU 16 -4.303 -3.953 8.705 92 HD11 LEU 16 1HD1 LEU 16 -4.621 -5.628 10.329 93 HD12 LEU 16 2HD1 LEU 16 -3.822 -6.425 8.974 94 HD13 LEU 16 3HD1 LEU 16 -5.555 -6.636 9.222 95 HD21 LEU 16 1HD2 LEU 16 -3.766 -4.815 6.685 96 HD22 LEU 16 2HD2 LEU 16 -5.468 -4.495 6.352 97 HD23 LEU 16 3HD2 LEU 16 -4.947 -6.119 6.803 98 H ALA 17 H ALA 17 -8.676 -3.145 6.461 99 HA ALA 17 HA ALA 17 -10.613 -1.709 8.109 100 HB1 ALA 17 1HB ALA 17 -12.059 -1.816 6.119 101 HB2 ALA 17 2HB ALA 17 -10.497 -1.072 5.777 102 HB3 ALA 17 3HB ALA 17 -10.809 -2.735 5.280 103 HA PRO 18 HA PRO 18 -12.491 -5.391 9.636 104 HB2 PRO 18 1HB PRO 18 -14.935 -4.384 10.256 105 HB3 PRO 18 2HB PRO 18 -13.486 -4.046 11.211 106 HG2 PRO 18 1HG PRO 18 -14.814 -2.361 9.123 107 HG3 PRO 18 2HG PRO 18 -14.145 -1.877 10.692 108 HD2 PRO 18 1HD PRO 18 -12.813 -1.508 8.363 109 HD3 PRO 18 2HD PRO 18 -11.982 -1.835 9.898 110 H ALA 19 H ALA 19 -14.028 -6.970 9.090 111 HA ALA 19 HA ALA 19 -14.668 -7.211 6.376 112 HB1 ALA 19 1HB ALA 19 -16.432 -8.843 7.896 113 HB2 ALA 19 2HB ALA 19 -14.981 -9.312 7.009 114 HB3 ALA 19 3HB ALA 19 -14.861 -8.819 8.698 115 H ARG 20 H ARG 20 -15.691 -5.099 6.019 116 HA ARG 20 HA ARG 20 -18.526 -5.067 6.816 117 HB2 ARG 20 1HB ARG 20 -18.481 -2.656 6.452 118 HB3 ARG 20 2HB ARG 20 -17.237 -3.128 7.602 119 HG2 ARG 20 1HG ARG 20 -16.027 -1.706 6.317 120 HG3 ARG 20 2HG ARG 20 -15.754 -3.197 5.413 121 HD2 ARG 20 1HD ARG 20 -16.325 -1.608 3.787 122 HD3 ARG 20 2HD ARG 20 -17.799 -2.541 4.041 123 HE ARG 20 HE ARG 20 -18.100 -0.470 5.743 124 HH11 ARG 20 2HH1 ARG 20 -17.305 -0.666 2.359 125 HH12 ARG 20 1HH1 ARG 20 -18.037 0.854 1.965 126 HH21 ARG 20 2HH2 ARG 20 -19.066 1.533 5.237 127 HH22 ARG 20 1HH2 ARG 20 -19.037 2.105 3.603 128 H ALA 21 H ALA 21 -16.286 -4.936 4.144 129 HA ALA 21 HA ALA 21 -18.237 -4.265 2.159 130 HB1 ALA 21 1HB ALA 21 -16.392 -5.067 0.583 131 HB2 ALA 21 2HB ALA 21 -16.041 -3.673 1.606 132 HB3 ALA 21 3HB ALA 21 -15.409 -5.263 2.035 133 H GLY 22 H GLY 22 -16.544 -7.279 3.035 134 HA2 GLY 22 1HA GLY 22 -18.727 -8.968 2.779 135 HA3 GLY 22 2HA GLY 22 -17.981 -8.893 1.189 136 H HIS 23 H HIS 23 -16.084 -9.962 0.809 137 HA HIS 23 HA HIS 23 -15.451 -12.259 2.081 138 HB2 HIS 23 1HB HIS 23 -13.287 -10.485 0.954 139 HB3 HIS 23 2HB HIS 23 -13.345 -12.245 0.975 140 HD1 HIS 23 1HD HIS 23 -15.634 -13.145 -0.446 141 HD2 HIS 23 2HD HIS 23 -13.888 -9.522 -1.486 142 HE1 HIS 23 1HE HIS 23 -16.406 -12.677 -2.793 143 H HIS 24 H HIS 24 -13.920 -12.950 3.622 144 HA HIS 24 HA HIS 24 -13.864 -11.772 6.044 145 HB2 HIS 24 1HB HIS 24 -12.256 -13.295 6.664 146 HB3 HIS 24 2HB HIS 24 -12.788 -14.019 5.150 147 HD1 HIS 24 1HD HIS 24 -9.814 -13.607 6.815 148 HD2 HIS 24 2HD HIS 24 -11.001 -12.581 2.968 149 HE1 HIS 24 1HE HIS 24 -7.688 -13.396 5.490 150 HA PRO 25 HA PRO 25 -11.394 -8.146 5.995 151 HB2 PRO 25 1HB PRO 25 -10.294 -8.211 8.476 152 HB3 PRO 25 2HB PRO 25 -11.999 -7.844 8.191 153 HG2 PRO 25 1HG PRO 25 -10.732 -10.422 9.032 154 HG3 PRO 25 2HG PRO 25 -12.211 -9.653 9.637 155 HD2 PRO 25 1HD PRO 25 -12.254 -11.694 7.858 156 HD3 PRO 25 2HD PRO 25 -13.479 -10.409 7.867 157 H ASN 26 H ASN 26 -9.052 -7.454 6.933 158 HA ASN 26 HA ASN 26 -6.802 -7.565 6.621 159 HB2 ASN 26 1HB ASN 26 -7.484 -10.439 7.142 160 HB3 ASN 26 2HB ASN 26 -5.845 -10.001 6.670 161 HD21 ASN 26 1HD2 ASN 26 -8.270 -9.809 9.131 162 HD22 ASN 26 2HD2 ASN 26 -7.248 -9.196 10.382 163 H GLN 27 H GLN 27 -8.317 -7.248 4.342 164 HA GLN 27 HA GLN 27 -6.887 -8.882 2.351 165 HB2 GLN 27 1HB GLN 27 -8.744 -8.303 0.800 166 HB3 GLN 27 2HB GLN 27 -9.262 -9.247 2.190 167 HG2 GLN 27 1HG GLN 27 -10.057 -7.191 3.269 168 HG3 GLN 27 2HG GLN 27 -9.580 -6.274 1.841 169 HE21 GLN 27 1HE2 GLN 27 -10.618 -6.856 -0.192 170 HE22 GLN 27 2HE2 GLN 27 -12.252 -7.416 -0.166 171 H TYR 28 H TYR 28 -7.994 -5.626 3.157 172 HA TYR 28 HA TYR 28 -5.926 -4.566 1.350 173 HB2 TYR 28 1HB TYR 28 -8.801 -3.791 1.606 174 HB3 TYR 28 2HB TYR 28 -7.620 -2.540 1.232 175 HD1 TYR 28 2HD TYR 28 -8.665 -5.940 0.094 176 HD2 TYR 28 1HD TYR 28 -7.090 -2.138 -0.984 177 HE1 TYR 28 2HE TYR 28 -8.738 -6.589 -2.277 178 HE2 TYR 28 1HE TYR 28 -7.160 -2.775 -3.359 179 HH TYR 28 HH TYR 28 -8.821 -5.532 -4.472 180 H ALA 29 H ALA 29 -4.965 -2.580 1.986 181 HA ALA 29 HA ALA 29 -5.240 -2.021 4.867 182 HB1 ALA 29 1HB ALA 29 -2.870 -1.148 4.655 183 HB2 ALA 29 2HB ALA 29 -3.079 -2.893 4.510 184 HB3 ALA 29 3HB ALA 29 -2.836 -1.911 3.065 185 H THR 30 H THR 30 -5.784 -0.024 5.489 186 HA THR 30 HA THR 30 -6.194 1.996 3.420 187 HB THR 30 HB THR 30 -7.038 2.098 6.321 188 HG1 THR 30 1HG THR 30 -8.894 1.148 5.711 189 HG21 THR 30 1HG2 THR 30 -8.424 3.564 4.136 190 HG22 THR 30 2HG2 THR 30 -6.872 4.190 4.694 191 HG23 THR 30 3HG2 THR 30 -8.208 4.001 5.830 192 H CYS 31 H CYS 31 -4.496 3.260 3.023 193 HA CYS 31 HA CYS 31 -2.350 3.724 4.764 194 HB2 CYS 31 1HB CYS 31 -2.489 4.069 2.215 195 HB3 CYS 31 2HB CYS 31 -3.165 5.649 2.598 196 H ARG 32 H ARG 32 -2.325 4.826 6.598 197 HA ARG 32 HA ARG 32 -4.416 6.678 7.273 198 HB2 ARG 32 1HB ARG 32 -1.876 6.066 8.792 199 HB3 ARG 32 2HB ARG 32 -3.319 6.845 9.427 200 HG2 ARG 32 1HG ARG 32 -4.556 4.711 8.874 201 HG3 ARG 32 2HG ARG 32 -2.974 3.982 8.593 202 HD2 ARG 32 1HD ARG 32 -3.435 3.449 10.812 203 HD3 ARG 32 2HD ARG 32 -2.384 4.859 10.935 204 HE ARG 32 HE ARG 32 -5.210 5.450 10.936 205 HH11 ARG 32 2HH1 ARG 32 -2.395 4.728 12.853 206 HH12 ARG 32 1HH1 ARG 32 -3.033 5.445 14.296 207 HH21 ARG 32 2HH2 ARG 32 -6.061 6.397 12.829 208 HH22 ARG 32 1HH2 ARG 32 -5.119 6.393 14.281 209 H LEU 33 H LEU 33 -1.839 7.024 5.336 210 HA LEU 33 HA LEU 33 -1.019 9.661 6.275 211 HB2 LEU 33 1HB LEU 33 -0.007 7.716 4.263 212 HB3 LEU 33 2HB LEU 33 0.382 9.422 4.051 213 HG LEU 33 HG LEU 33 1.075 7.746 6.464 214 HD11 LEU 33 1HD1 LEU 33 3.416 8.146 5.622 215 HD12 LEU 33 2HD1 LEU 33 2.691 8.684 4.107 216 HD13 LEU 33 3HD1 LEU 33 2.438 7.031 4.668 217 HD21 LEU 33 1HD2 LEU 33 2.486 9.726 7.036 218 HD22 LEU 33 2HD2 LEU 33 0.749 10.013 7.140 219 HD23 LEU 33 3HD2 LEU 33 1.661 10.615 5.755 220 H CYS 34 H CYS 34 -2.325 8.196 3.301 221 HA CYS 34 HA CYS 34 -3.416 10.840 2.593 222 HB2 CYS 34 1HB CYS 34 -3.292 10.163 0.250 223 HB3 CYS 34 2HB CYS 34 -1.707 10.043 1.007 224 H GLY 35 H GLY 35 -4.046 7.408 2.888 225 HA2 GLY 35 1HA GLY 35 -6.220 6.651 3.578 226 HA3 GLY 35 2HA GLY 35 -6.924 8.000 2.699 227 H ARG 36 H ARG 36 -4.383 6.158 1.232 228 HA ARG 36 HA ARG 36 -6.224 5.296 -0.844 229 HB2 ARG 36 1HB ARG 36 -3.244 5.419 -0.568 230 HB3 ARG 36 2HB ARG 36 -3.958 4.377 -1.792 231 HG2 ARG 36 1HG ARG 36 -4.870 7.200 -1.649 232 HG3 ARG 36 2HG ARG 36 -3.272 6.862 -2.318 233 HD2 ARG 36 1HD ARG 36 -4.126 5.661 -4.097 234 HD3 ARG 36 2HD ARG 36 -5.631 5.290 -3.256 235 HE ARG 36 HE ARG 36 -5.068 7.604 -4.854 236 HH11 ARG 36 2HH1 ARG 36 -6.987 6.351 -2.234 237 HH12 ARG 36 1HH1 ARG 36 -8.268 7.497 -2.452 238 HH21 ARG 36 2HH2 ARG 36 -6.747 9.119 -5.150 239 HH22 ARG 36 1HH2 ARG 36 -8.131 9.070 -4.111 240 H GLN 37 H GLN 37 -6.664 3.185 -1.392 241 HA GLN 37 HA GLN 37 -6.274 1.243 0.727 242 HB2 GLN 37 1HB GLN 37 -7.797 0.996 -1.872 243 HB3 GLN 37 2HB GLN 37 -7.844 -0.146 -0.536 244 HG2 GLN 37 1HG GLN 37 -8.840 1.555 0.895 245 HG3 GLN 37 2HG GLN 37 -8.776 2.714 -0.432 246 HE21 GLN 37 1HE2 GLN 37 -11.152 2.498 0.525 247 HE22 GLN 37 2HE2 GLN 37 -12.188 1.499 -0.430 248 H VAL 38 H VAL 38 -4.601 -0.090 0.753 249 HA VAL 38 HA VAL 38 -3.432 -0.936 -1.818 250 HB VAL 38 HB VAL 38 -1.956 -0.452 0.774 251 HG11 VAL 38 1HG1 VAL 38 -0.437 -1.860 -0.037 252 HG12 VAL 38 2HG1 VAL 38 -1.303 -2.008 -1.567 253 HG13 VAL 38 3HG1 VAL 38 -0.146 -0.697 -1.330 254 HG21 VAL 38 1HG2 VAL 38 -0.775 1.208 -0.919 255 HG22 VAL 38 2HG2 VAL 38 -2.364 1.166 -1.684 256 HG23 VAL 38 3HG2 VAL 38 -2.208 1.678 -0.004 257 H SER 39 H SER 39 -3.700 -3.030 -2.168 258 HA SER 39 HA SER 39 -4.053 -4.825 0.131 259 HB2 SER 39 1HB SER 39 -5.025 -6.402 -1.553 260 HB3 SER 39 2HB SER 39 -5.913 -4.885 -1.412 261 HG SER 39 HG SER 39 -5.655 -5.202 -3.562 262 H ARG 40 H ARG 40 -2.294 -5.890 0.728 263 HA ARG 40 HA ARG 40 0.028 -6.145 -0.858 264 HB2 ARG 40 1HB ARG 40 0.797 -7.700 0.932 265 HB3 ARG 40 2HB ARG 40 0.214 -6.156 1.539 266 HG2 ARG 40 1HG ARG 40 -2.023 -7.371 1.884 267 HG3 ARG 40 2HG ARG 40 -1.077 -8.850 1.705 268 HD2 ARG 40 1HD ARG 40 -0.311 -6.684 3.641 269 HD3 ARG 40 2HD ARG 40 -1.441 -7.967 4.072 270 HE ARG 40 HE ARG 40 1.073 -8.886 2.992 271 HH11 ARG 40 2HH1 ARG 40 -0.702 -8.012 5.857 272 HH12 ARG 40 1HH1 ARG 40 0.307 -8.933 6.922 273 HH21 ARG 40 2HH2 ARG 40 2.409 -10.103 4.384 274 HH22 ARG 40 1HH2 ARG 40 2.077 -10.122 6.083 275 H GLY 41 H GLY 41 -2.535 -8.453 -0.008 276 HA2 GLY 41 1HA GLY 41 -3.189 -10.416 -1.002 277 HA3 GLY 41 2HA GLY 41 -2.411 -9.820 -2.461 278 HA PRO 42 HA PRO 42 -0.153 -13.593 -0.881 279 HB2 PRO 42 1HB PRO 42 -0.305 -14.986 -3.206 280 HB3 PRO 42 2HB PRO 42 -1.558 -15.055 -1.961 281 HG2 PRO 42 1HG PRO 42 -1.488 -13.458 -4.492 282 HG3 PRO 42 2HG PRO 42 -2.833 -14.370 -3.781 283 HD2 PRO 42 1HD PRO 42 -2.611 -11.682 -3.545 284 HD3 PRO 42 2HD PRO 42 -3.345 -12.694 -2.285 285 H GLY 43 H GLY 43 0.147 -11.277 -3.372 286 HA2 GLY 43 1HA GLY 43 2.713 -12.231 -4.334 287 HA3 GLY 43 2HA GLY 43 1.887 -10.764 -4.838 288 H VAL 44 H VAL 44 2.281 -11.369 -1.457 289 HA VAL 44 HA VAL 44 4.597 -9.565 -1.350 290 HB VAL 44 HB VAL 44 2.091 -9.282 0.312 291 HG11 VAL 44 1HG1 VAL 44 4.511 -7.508 0.445 292 HG12 VAL 44 2HG1 VAL 44 3.152 -7.608 1.567 293 HG13 VAL 44 3HG1 VAL 44 4.329 -8.920 1.486 294 HG21 VAL 44 1HG2 VAL 44 3.318 -7.191 -1.453 295 HG22 VAL 44 2HG2 VAL 44 2.187 -8.381 -2.095 296 HG23 VAL 44 3HG2 VAL 44 1.676 -7.281 -0.816 297 H ASN 45 H ASN 45 6.162 -10.305 -0.075 298 HA ASN 45 HA ASN 45 5.481 -12.040 2.185 299 HB2 ASN 45 1HB ASN 45 7.763 -12.738 0.344 300 HB3 ASN 45 2HB ASN 45 7.020 -13.735 1.591 301 HD21 ASN 45 1HD2 ASN 45 4.553 -13.998 1.191 302 HD22 ASN 45 2HD2 ASN 45 4.129 -14.466 -0.417 303 H VAL 46 H VAL 46 7.411 -12.390 3.627 304 HA VAL 46 HA VAL 46 8.362 -10.172 4.776 305 HB VAL 46 HB VAL 46 9.946 -12.714 4.383 306 HG11 VAL 46 1HG1 VAL 46 11.576 -11.233 5.082 307 HG12 VAL 46 2HG1 VAL 46 10.448 -10.285 6.053 308 HG13 VAL 46 3HG1 VAL 46 10.980 -11.871 6.614 309 HG21 VAL 46 1HG2 VAL 46 7.977 -13.293 5.499 310 HG22 VAL 46 2HG2 VAL 46 9.142 -13.045 6.800 311 HG23 VAL 46 3HG2 VAL 46 7.954 -11.795 6.430 312 H GLY 47 H GLY 47 9.554 -8.475 4.216 313 HA2 GLY 47 1HA GLY 47 11.975 -8.199 3.187 314 HA3 GLY 47 2HA GLY 47 11.077 -8.581 1.725 315 H THR 48 H THR 48 9.310 -7.145 1.124 316 HA THR 48 HA THR 48 9.552 -4.442 2.255 317 HB THR 48 HB THR 48 9.484 -5.085 -0.700 318 HG1 THR 48 1HG THR 48 11.567 -5.299 -0.176 319 HG21 THR 48 1HG2 THR 48 8.692 -3.022 -0.987 320 HG22 THR 48 2HG2 THR 48 10.153 -2.389 -0.227 321 HG23 THR 48 3HG2 THR 48 8.727 -2.731 0.752 322 H THR 49 H THR 49 7.582 -4.737 3.334 323 HA THR 49 HA THR 49 5.218 -5.753 2.461 324 HB THR 49 HB THR 49 5.057 -3.127 3.867 325 HG1 THR 49 1HG THR 49 5.933 -3.982 5.724 326 HG21 THR 49 1HG2 THR 49 3.689 -4.863 5.371 327 HG22 THR 49 2HG2 THR 49 3.638 -5.731 3.836 328 HG23 THR 49 3HG2 THR 49 2.996 -4.092 3.945 329 H ALA 50 H ALA 50 3.874 -5.365 0.833 330 HA ALA 50 HA ALA 50 4.198 -3.735 -1.269 331 HB1 ALA 50 1HB ALA 50 2.141 -5.333 -0.366 332 HB2 ALA 50 2HB ALA 50 1.387 -3.747 -0.531 333 HB3 ALA 50 3HB ALA 50 2.199 -4.485 -1.912 334 H LEU 51 H LEU 51 2.962 -2.761 1.858 335 HA LEU 51 HA LEU 51 1.912 -0.257 1.171 336 HB2 LEU 51 1HB LEU 51 3.291 -0.924 3.761 337 HB3 LEU 51 2HB LEU 51 2.039 0.286 3.490 338 HG LEU 51 HG LEU 51 1.596 -2.686 3.237 339 HD11 LEU 51 1HD1 LEU 51 0.229 -2.083 5.419 340 HD12 LEU 51 2HD1 LEU 51 1.488 -0.858 5.574 341 HD13 LEU 51 3HD1 LEU 51 1.925 -2.565 5.487 342 HD21 LEU 51 1HD2 LEU 51 -0.354 -2.109 2.353 343 HD22 LEU 51 2HD2 LEU 51 0.065 -0.401 2.489 344 HD23 LEU 51 3HD2 LEU 51 -0.749 -1.220 3.824 345 H TRP 52 H TRP 52 5.171 -1.164 2.257 346 HA TRP 52 HA TRP 52 6.358 1.304 2.418 347 HB2 TRP 52 1HB TRP 52 7.463 -1.338 1.472 348 HB3 TRP 52 2HB TRP 52 8.476 0.093 1.649 349 HD1 TRP 52 HD TRP 52 7.007 -2.734 3.603 350 HE1 TRP 52 1HE TRP 52 7.606 -2.483 6.094 351 HE3 TRP 52 3HE TRP 52 8.827 2.043 3.522 352 HZ2 TRP 52 2HZ TRP 52 8.704 -0.519 7.798 353 HZ3 TRP 52 3HZ TRP 52 9.631 3.034 5.625 354 HH2 TRP 52 HH TRP 52 9.570 1.779 7.718 355 H LYS 53 H LYS 53 5.981 -0.696 -0.495 356 HA LYS 53 HA LYS 53 7.315 0.893 -2.320 357 HB2 LYS 53 1HB LYS 53 4.831 -0.786 -2.696 358 HB3 LYS 53 2HB LYS 53 5.744 -0.081 -4.023 359 HG2 LYS 53 1HG LYS 53 7.755 -1.333 -3.077 360 HG3 LYS 53 2HG LYS 53 6.583 -2.233 -2.113 361 HD2 LYS 53 1HD LYS 53 5.385 -2.620 -4.378 362 HD3 LYS 53 2HD LYS 53 6.937 -2.169 -5.087 363 HE2 LYS 53 1HE LYS 53 7.997 -4.039 -4.294 364 HE3 LYS 53 2HE LYS 53 6.909 -4.203 -2.916 365 HZ1 LYS 53 1HZ LYS 53 6.567 -5.952 -4.557 366 HZ2 LYS 53 2HZ LYS 53 6.203 -4.799 -5.739 367 HZ3 LYS 53 3HZ LYS 53 5.185 -4.989 -4.401 368 H HIS 54 H HIS 54 4.064 1.247 -1.025 369 HA HIS 54 HA HIS 54 3.335 3.378 -2.800 370 HB2 HIS 54 1HB HIS 54 1.603 1.968 -1.844 371 HB3 HIS 54 2HB HIS 54 2.092 2.420 -0.214 372 HD1 HIS 54 1HD HIS 54 0.731 4.109 -3.338 373 HD2 HIS 54 2HD HIS 54 0.688 4.503 0.797 374 HE1 HIS 54 1HE HIS 54 -0.839 6.014 -2.861 375 H LEU 55 H LEU 55 4.686 3.130 0.432 376 HA LEU 55 HA LEU 55 4.383 5.855 1.143 377 HB2 LEU 55 1HB LEU 55 6.304 3.745 2.109 378 HB3 LEU 55 2HB LEU 55 6.149 5.344 2.834 379 HG LEU 55 HG LEU 55 3.887 3.359 2.678 380 HD11 LEU 55 1HD1 LEU 55 5.797 3.894 4.949 381 HD12 LEU 55 2HD1 LEU 55 5.682 2.407 4.008 382 HD13 LEU 55 3HD1 LEU 55 4.341 2.901 5.041 383 HD21 LEU 55 1HD2 LEU 55 2.832 4.779 4.306 384 HD22 LEU 55 2HD2 LEU 55 3.303 5.758 2.917 385 HD23 LEU 55 3HD2 LEU 55 4.261 5.808 4.397 386 H LYS 56 H LYS 56 7.159 4.027 -0.130 387 HA LYS 56 HA LYS 56 8.782 6.376 -0.402 388 HB2 LYS 56 1HB LYS 56 9.268 3.726 -1.752 389 HB3 LYS 56 2HB LYS 56 10.452 4.939 -1.282 390 HG2 LYS 56 1HG LYS 56 10.467 4.285 0.901 391 HG3 LYS 56 2HG LYS 56 8.804 3.696 0.852 392 HD2 LYS 56 1HD LYS 56 9.901 1.697 0.908 393 HD3 LYS 56 2HD LYS 56 9.868 1.951 -0.839 394 HE2 LYS 56 1HE LYS 56 12.156 3.063 0.701 395 HE3 LYS 56 2HE LYS 56 12.098 1.319 0.446 396 HZ1 LYS 56 1HZ LYS 56 11.518 2.502 -1.992 397 HZ2 LYS 56 2HZ LYS 56 12.925 1.667 -1.562 398 HZ3 LYS 56 3HZ LYS 56 12.846 3.346 -1.369 399 H SER 57 H SER 57 6.236 5.131 -2.171 400 HA SER 57 HA SER 57 7.190 5.923 -4.785 401 HB2 SER 57 1HB SER 57 5.736 4.075 -4.870 402 HB3 SER 57 2HB SER 57 4.593 4.809 -3.745 403 HG SER 57 HG SER 57 5.026 5.387 -6.468 404 H MET 58 H MET 58 4.989 7.144 -2.316 405 HA MET 58 HA MET 58 4.920 9.709 -3.758 406 HB2 MET 58 1HB MET 58 2.629 10.038 -3.233 407 HB3 MET 58 2HB MET 58 2.751 8.413 -3.893 408 HG2 MET 58 1HG MET 58 2.368 7.410 -1.852 409 HG3 MET 58 2HG MET 58 2.875 8.831 -0.943 410 HE1 MET 58 1HE MET 58 -0.010 7.827 -3.637 411 HE2 MET 58 2HE MET 58 -0.888 9.348 -3.481 412 HE3 MET 58 3HE MET 58 0.793 9.351 -4.015 413 H HIS 59 H HIS 59 4.938 7.996 -0.706 414 HA HIS 59 HA HIS 59 5.163 10.498 0.786 415 HB2 HIS 59 1HB HIS 59 5.041 7.645 1.785 416 HB3 HIS 59 2HB HIS 59 4.997 9.090 2.790 417 HD1 HIS 59 1HD HIS 59 2.855 10.736 2.171 418 HD2 HIS 59 2HD HIS 59 2.584 6.720 1.144 419 HE1 HIS 59 1HE HIS 59 0.402 10.291 1.840 420 H ARG 60 H ARG 60 7.272 9.434 -1.038 421 HA ARG 60 HA ARG 60 9.423 8.351 0.369 422 HB2 ARG 60 1HB ARG 60 9.425 8.436 -2.048 423 HB3 ARG 60 2HB ARG 60 9.399 10.194 -2.024 424 HG2 ARG 60 1HG ARG 60 11.616 10.347 -1.360 425 HG3 ARG 60 2HG ARG 60 11.648 8.690 -0.753 426 HD2 ARG 60 1HD ARG 60 11.528 7.831 -3.020 427 HD3 ARG 60 2HD ARG 60 11.401 9.471 -3.655 428 HE ARG 60 HE ARG 60 13.720 9.587 -2.333 429 HH11 ARG 60 2HH1 ARG 60 12.464 7.238 -4.575 430 HH12 ARG 60 1HH1 ARG 60 14.024 6.793 -5.185 431 HH21 ARG 60 2HH2 ARG 60 15.779 9.010 -3.128 432 HH22 ARG 60 1HH2 ARG 60 15.909 7.801 -4.360 433 H GLU 61 H GLU 61 8.238 11.629 0.177 434 HA GLU 61 HA GLU 61 10.582 12.802 1.363 435 HB2 GLU 61 1HB GLU 61 7.816 13.882 0.817 436 HB3 GLU 61 2HB GLU 61 9.104 14.839 1.537 437 HG2 GLU 61 1HG GLU 61 10.474 14.477 -0.465 438 HG3 GLU 61 2HG GLU 61 9.152 13.562 -1.188 439 H GLU 62 H GLU 62 7.394 11.774 2.460 440 HA GLU 62 HA GLU 62 7.497 12.855 5.049 441 HB2 GLU 62 1HB GLU 62 5.398 12.084 4.245 442 HB3 GLU 62 2HB GLU 62 6.035 10.482 3.902 443 HG2 GLU 62 1HG GLU 62 4.853 10.102 5.823 444 HG3 GLU 62 2HG GLU 62 6.468 10.400 6.463 445 H LEU 63 H LEU 63 8.190 9.521 3.983 446 HA LEU 63 HA LEU 63 8.989 8.390 6.327 447 HB2 LEU 63 1HB LEU 63 10.374 8.026 3.674 448 HB3 LEU 63 2HB LEU 63 10.409 6.903 5.032 449 HG LEU 63 HG LEU 63 7.977 7.605 3.389 450 HD11 LEU 63 1HD1 LEU 63 8.373 5.819 2.094 451 HD12 LEU 63 2HD1 LEU 63 8.986 4.854 3.436 452 HD13 LEU 63 3HD1 LEU 63 10.043 6.012 2.629 453 HD21 LEU 63 1HD2 LEU 63 6.894 6.927 5.229 454 HD22 LEU 63 2HD2 LEU 63 8.347 6.232 5.947 455 HD23 LEU 63 3HD2 LEU 63 7.422 5.311 4.760 456 H GLU 64 H GLU 64 11.151 10.118 4.077 457 HA GLU 64 HA GLU 64 13.503 9.981 5.473 458 HB2 GLU 64 1HB GLU 64 12.338 12.110 3.712 459 HB3 GLU 64 2HB GLU 64 13.893 12.366 4.492 460 HG2 GLU 64 1HG GLU 64 14.481 10.050 3.458 461 HG3 GLU 64 2HG GLU 64 13.135 10.408 2.377 462 H LYS 65 H LYS 65 10.942 12.412 5.871 463 HA LYS 65 HA LYS 65 12.072 14.052 7.752 464 HB2 LYS 65 1HB LYS 65 9.202 13.100 7.703 465 HB3 LYS 65 2HB LYS 65 9.791 14.535 8.533 466 HG2 LYS 65 1HG LYS 65 10.235 14.235 5.597 467 HG3 LYS 65 2HG LYS 65 8.660 14.749 6.207 468 HD2 LYS 65 1HD LYS 65 9.589 16.673 7.237 469 HD3 LYS 65 2HD LYS 65 11.238 16.087 7.003 470 HE2 LYS 65 1HE LYS 65 11.120 17.560 5.268 471 HE3 LYS 65 2HE LYS 65 10.494 16.123 4.462 472 HZ1 LYS 65 1HZ LYS 65 9.146 18.582 5.156 473 HZ2 LYS 65 2HZ LYS 65 8.265 17.182 5.510 474 HZ3 LYS 65 3HZ LYS 65 8.802 17.466 3.931 475 H SER 66 H SER 66 10.132 11.142 8.449 476 HA SER 66 HA SER 66 10.626 11.211 11.241 477 HB2 SER 66 1HB SER 66 8.716 10.019 10.047 478 HB3 SER 66 2HB SER 66 9.879 8.753 9.652 479 HG SER 66 HG SER 66 8.809 9.489 12.133 480 H GLY 67 H GLY 67 11.552 9.053 12.263 481 HA2 GLY 67 1HA GLY 67 14.342 9.022 11.524 482 HA3 GLY 67 2HA GLY 67 13.611 8.181 12.882 483 H HIS 68 H HIS 68 12.920 7.999 9.401 484 HA HIS 68 HA HIS 68 13.552 5.123 9.534 485 HB2 HIS 68 1HB HIS 68 11.493 6.497 7.794 486 HB3 HIS 68 2HB HIS 68 11.849 4.772 7.795 487 HD1 HIS 68 1HD HIS 68 11.913 4.311 10.858 488 HD2 HIS 68 2HD HIS 68 8.978 6.463 8.853 489 HE1 HIS 68 1HE HIS 68 9.892 4.247 12.353 490 H GLY 69 H GLY 69 15.372 4.682 8.485 491 HA2 GLY 69 1HA GLY 69 15.749 5.709 5.787 492 HA3 GLY 69 2HA GLY 69 16.971 6.175 6.961 493 H GLN 70 H GLN 70 17.243 3.875 8.441 494 HA GLN 70 HA GLN 70 18.646 2.188 6.535 495 HB2 GLN 70 1HB GLN 70 18.593 2.210 9.556 496 HB3 GLN 70 2HB GLN 70 19.549 1.089 8.595 497 HG2 GLN 70 1HG GLN 70 20.883 2.851 7.719 498 HG3 GLN 70 2HG GLN 70 19.820 4.076 8.410 499 HE21 GLN 70 1HE2 GLN 70 20.320 4.872 10.332 500 HE22 GLN 70 2HE2 GLN 70 21.480 4.208 11.427 501 H SER 71 H SER 71 15.852 2.033 6.341 502 HA SER 71 HA SER 71 14.591 0.028 7.770 503 HB2 SER 71 1HB SER 71 13.077 -0.192 5.863 504 HB3 SER 71 2HB SER 71 13.453 1.508 6.144 505 HG SER 71 HG SER 71 15.002 1.346 4.453 506 H GLY 72 H GLY 72 15.313 -1.962 8.141 507 HA2 GLY 72 1HA GLY 72 15.436 -4.187 7.037 508 HA3 GLY 72 2HA GLY 72 16.527 -3.435 5.883 509 HA PRO 73 HA PRO 73 18.951 -5.475 9.334 510 HB2 PRO 73 1HB PRO 73 20.421 -7.092 7.722 511 HB3 PRO 73 2HB PRO 73 18.851 -7.565 8.383 512 HG2 PRO 73 1HG PRO 73 19.520 -6.504 5.665 513 HG3 PRO 73 2HG PRO 73 18.431 -7.830 6.111 514 HD2 PRO 73 1HD PRO 73 17.532 -5.353 5.491 515 HD3 PRO 73 2HD PRO 73 16.712 -6.399 6.668 516 H SER 74 H SER 74 19.831 -3.287 9.428 517 HA SER 74 HA SER 74 21.516 -1.997 7.763 518 HB2 SER 74 1HB SER 74 20.944 -1.034 9.898 519 HB3 SER 74 2HB SER 74 21.804 -2.310 10.759 520 HG SER 74 HG SER 74 23.452 -1.120 9.007 521 H SER 75 H SER 75 22.702 -4.290 10.229 522 HA SER 75 HA SER 75 25.346 -4.375 9.377 523 HB2 SER 75 1HB SER 75 23.735 -6.582 10.682 524 HB3 SER 75 2HB SER 75 25.495 -6.519 10.593 525 HG SER 75 HG SER 75 24.849 -5.703 12.572 526 H GLY 76 H GLY 76 22.679 -6.588 8.540 527 HA2 GLY 76 1HA GLY 76 24.248 -8.082 6.678 528 HA3 GLY 76 2HA GLY 76 22.503 -8.160 6.865 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.533 -14.341 20.231 2 HA2 GLY 1 1HA GLY 1 4.192 -15.801 19.320 3 HA3 GLY 1 2HA GLY 1 3.046 -16.271 18.074 4 H SER 2 H SER 2 4.237 -13.112 19.213 5 HA SER 2 HA SER 2 4.757 -12.401 16.414 6 HB2 SER 2 1HB SER 2 4.104 -10.829 18.873 7 HB3 SER 2 2HB SER 2 5.026 -10.047 17.589 8 HG SER 2 HG SER 2 2.380 -10.854 17.639 9 H SER 3 H SER 3 6.752 -13.440 16.174 10 HA SER 3 HA SER 3 8.959 -12.238 17.716 11 HB2 SER 3 1HB SER 3 8.517 -15.055 16.787 12 HB3 SER 3 2HB SER 3 10.162 -14.449 16.978 13 HG SER 3 HG SER 3 9.677 -13.980 19.143 14 H GLY 4 H GLY 4 10.916 -11.817 16.595 15 HA2 GLY 4 1HA GLY 4 12.209 -11.201 14.795 16 HA3 GLY 4 2HA GLY 4 11.215 -12.256 13.802 17 H SER 5 H SER 5 11.978 -9.051 14.596 18 HA SER 5 HA SER 5 9.729 -8.087 12.952 19 HB2 SER 5 1HB SER 5 9.740 -7.454 15.455 20 HB3 SER 5 2HB SER 5 11.086 -6.392 15.040 21 HG SER 5 HG SER 5 9.756 -5.255 13.678 22 H SER 6 H SER 6 10.901 -8.146 11.036 23 HA SER 6 HA SER 6 13.329 -6.507 10.895 24 HB2 SER 6 1HB SER 6 13.722 -7.580 8.729 25 HB3 SER 6 2HB SER 6 13.465 -8.797 9.979 26 HG SER 6 HG SER 6 11.315 -7.868 8.414 27 H GLY 7 H GLY 7 10.964 -5.096 11.228 28 HA2 GLY 7 1HA GLY 7 10.878 -2.952 9.834 29 HA3 GLY 7 2HA GLY 7 10.394 -4.035 8.537 30 H SER 8 H SER 8 8.298 -4.615 8.348 31 HA SER 8 HA SER 8 6.041 -4.215 8.568 32 HB2 SER 8 1HB SER 8 5.106 -5.321 10.539 33 HB3 SER 8 2HB SER 8 6.447 -6.265 9.891 34 HG SER 8 HG SER 8 6.197 -5.517 12.334 35 H GLU 9 H GLU 9 7.707 -1.908 9.231 36 HA GLU 9 HA GLU 9 6.293 -0.638 11.441 37 HB2 GLU 9 1HB GLU 9 8.816 -0.445 11.026 38 HB3 GLU 9 2HB GLU 9 8.397 0.638 9.706 39 HG2 GLU 9 1HG GLU 9 8.938 1.935 11.642 40 HG3 GLU 9 2HG GLU 9 7.212 2.086 11.315 41 H ALA 10 H ALA 10 6.544 -0.496 7.951 42 HA ALA 10 HA ALA 10 5.346 1.924 7.387 43 HB1 ALA 10 1HB ALA 10 5.050 -0.688 5.910 44 HB2 ALA 10 2HB ALA 10 4.610 0.895 5.267 45 HB3 ALA 10 3HB ALA 10 6.293 0.537 5.653 46 H TRP 11 H TRP 11 3.913 -0.983 8.637 47 HA TRP 11 HA TRP 11 1.249 -0.663 7.964 48 HB2 TRP 11 1HB TRP 11 2.683 -1.928 10.250 49 HB3 TRP 11 2HB TRP 11 0.942 -1.703 10.396 50 HD1 TRP 11 HD TRP 11 3.308 -4.216 9.317 51 HE1 TRP 11 1HE TRP 11 2.221 -5.933 7.738 52 HE3 TRP 11 3HE TRP 11 -0.963 -1.659 8.150 53 HZ2 TRP 11 2HZ TRP 11 -0.134 -6.173 6.200 54 HZ3 TRP 11 3HZ TRP 11 -2.581 -2.702 6.617 55 HH2 TRP 11 HH TRP 11 -2.173 -4.912 5.663 56 H GLU 12 H GLU 12 3.174 1.092 10.273 57 HA GLU 12 HA GLU 12 1.172 2.200 11.870 58 HB2 GLU 12 1HB GLU 12 3.795 3.429 11.001 59 HB3 GLU 12 2HB GLU 12 2.792 4.017 12.320 60 HG2 GLU 12 1HG GLU 12 4.024 1.275 12.207 61 HG3 GLU 12 2HG GLU 12 4.717 2.654 13.058 62 H TYR 13 H TYR 13 1.923 2.751 8.582 63 HA TYR 13 HA TYR 13 0.374 5.249 8.557 64 HB2 TYR 13 1HB TYR 13 2.054 4.128 6.312 65 HB3 TYR 13 2HB TYR 13 1.391 5.753 6.445 66 HD1 TYR 13 2HD TYR 13 4.022 3.474 7.584 67 HD2 TYR 13 1HD TYR 13 2.435 7.410 7.876 68 HE1 TYR 13 2HE TYR 13 6.105 4.228 8.654 69 HE2 TYR 13 1HE TYR 13 4.514 8.176 8.946 70 HH TYR 13 HH TYR 13 6.390 7.292 10.165 71 H PHE 14 H PHE 14 -0.534 2.327 8.622 72 HA PHE 14 HA PHE 14 -2.629 2.666 6.639 73 HB2 PHE 14 1HB PHE 14 -0.843 0.224 6.675 74 HB3 PHE 14 2HB PHE 14 -2.325 0.377 5.737 75 HD1 PHE 14 1HD PHE 14 0.979 2.012 6.241 76 HD2 PHE 14 2HD PHE 14 -2.230 1.176 3.572 77 HE1 PHE 14 1HE PHE 14 2.259 3.012 4.393 78 HE2 PHE 14 2HE PHE 14 -0.954 2.174 1.720 79 HZ PHE 14 HZ PHE 14 1.294 3.093 2.129 80 H HIS 15 H HIS 15 -4.444 1.238 6.979 81 HA HIS 15 HA HIS 15 -4.468 -0.255 9.487 82 HB2 HIS 15 1HB HIS 15 -6.070 0.984 10.553 83 HB3 HIS 15 2HB HIS 15 -5.296 2.275 9.638 84 HD1 HIS 15 1HD HIS 15 -8.203 -0.138 9.140 85 HD2 HIS 15 2HD HIS 15 -7.072 3.759 8.250 86 HE1 HIS 15 1HE HIS 15 -10.187 0.891 7.987 87 H LEU 16 H LEU 16 -5.406 -2.156 9.168 88 HA LEU 16 HA LEU 16 -6.565 -2.932 6.746 89 HB2 LEU 16 1HB LEU 16 -6.784 -4.163 9.487 90 HB3 LEU 16 2HB LEU 16 -7.332 -4.941 8.004 91 HG LEU 16 HG LEU 16 -4.473 -4.135 8.514 92 HD11 LEU 16 1HD1 LEU 16 -4.943 -6.967 8.510 93 HD12 LEU 16 2HD1 LEU 16 -5.902 -6.188 9.768 94 HD13 LEU 16 3HD1 LEU 16 -4.153 -5.963 9.727 95 HD21 LEU 16 1HD2 LEU 16 -5.361 -4.433 6.143 96 HD22 LEU 16 2HD2 LEU 16 -5.529 -6.142 6.545 97 HD23 LEU 16 3HD2 LEU 16 -3.941 -5.376 6.596 98 H ALA 17 H ALA 17 -8.716 -3.458 6.191 99 HA ALA 17 HA ALA 17 -10.681 -1.706 7.443 100 HB1 ALA 17 1HB ALA 17 -10.583 -1.535 5.072 101 HB2 ALA 17 2HB ALA 17 -10.712 -3.283 4.878 102 HB3 ALA 17 3HB ALA 17 -12.090 -2.358 5.473 103 HA PRO 18 HA PRO 18 -12.705 -4.913 9.676 104 HB2 PRO 18 1HB PRO 18 -15.184 -3.822 9.862 105 HB3 PRO 18 2HB PRO 18 -13.804 -3.235 10.797 106 HG2 PRO 18 1HG PRO 18 -14.984 -2.142 8.272 107 HG3 PRO 18 2HG PRO 18 -14.423 -1.273 9.713 108 HD2 PRO 18 1HD PRO 18 -12.934 -1.473 7.460 109 HD3 PRO 18 2HD PRO 18 -12.210 -1.396 9.079 110 H ALA 19 H ALA 19 -13.735 -6.770 9.197 111 HA ALA 19 HA ALA 19 -14.421 -7.472 6.602 112 HB1 ALA 19 1HB ALA 19 -15.664 -9.395 7.736 113 HB2 ALA 19 2HB ALA 19 -13.940 -9.230 8.070 114 HB3 ALA 19 3HB ALA 19 -15.124 -8.682 9.257 115 H ARG 20 H ARG 20 -16.265 -7.469 5.414 116 HA ARG 20 HA ARG 20 -18.597 -6.125 6.610 117 HB2 ARG 20 1HB ARG 20 -17.535 -6.154 3.790 118 HB3 ARG 20 2HB ARG 20 -19.170 -5.627 4.168 119 HG2 ARG 20 1HG ARG 20 -18.434 -3.753 5.324 120 HG3 ARG 20 2HG ARG 20 -16.814 -4.413 5.553 121 HD2 ARG 20 1HD ARG 20 -17.793 -3.928 2.782 122 HD3 ARG 20 2HD ARG 20 -17.287 -2.548 3.757 123 HE ARG 20 HE ARG 20 -15.393 -4.722 3.677 124 HH11 ARG 20 2HH1 ARG 20 -16.463 -1.761 2.193 125 HH12 ARG 20 1HH1 ARG 20 -14.936 -1.431 1.445 126 HH21 ARG 20 2HH2 ARG 20 -13.377 -4.300 2.697 127 HH22 ARG 20 1HH2 ARG 20 -13.181 -2.876 1.731 128 H ALA 21 H ALA 21 -19.125 -8.335 7.412 129 HA ALA 21 HA ALA 21 -20.143 -10.391 7.254 130 HB1 ALA 21 1HB ALA 21 -22.290 -9.864 7.080 131 HB2 ALA 21 2HB ALA 21 -21.823 -8.304 6.402 132 HB3 ALA 21 3HB ALA 21 -22.139 -9.671 5.333 133 H GLY 22 H GLY 22 -17.934 -10.314 5.550 134 HA2 GLY 22 1HA GLY 22 -18.655 -12.389 3.699 135 HA3 GLY 22 2HA GLY 22 -18.227 -10.886 2.894 136 H HIS 23 H HIS 23 -16.152 -10.564 2.431 137 HA HIS 23 HA HIS 23 -14.195 -12.505 2.872 138 HB2 HIS 23 1HB HIS 23 -12.592 -10.830 2.044 139 HB3 HIS 23 2HB HIS 23 -14.046 -10.880 1.051 140 HD1 HIS 23 1HD HIS 23 -13.331 -8.938 4.247 141 HD2 HIS 23 2HD HIS 23 -14.451 -8.317 0.295 142 HE1 HIS 23 1HE HIS 23 -13.760 -6.468 4.050 143 H HIS 24 H HIS 24 -12.026 -11.998 3.943 144 HA HIS 24 HA HIS 24 -12.513 -11.562 6.729 145 HB2 HIS 24 1HB HIS 24 -9.961 -11.831 6.845 146 HB3 HIS 24 2HB HIS 24 -10.895 -13.208 6.268 147 HD1 HIS 24 1HD HIS 24 -8.481 -10.589 5.119 148 HD2 HIS 24 2HD HIS 24 -10.472 -13.903 3.597 149 HE1 HIS 24 1HE HIS 24 -7.396 -11.065 2.901 150 HA PRO 25 HA PRO 25 -11.550 -7.304 7.160 151 HB2 PRO 25 1HB PRO 25 -10.271 -7.270 9.554 152 HB3 PRO 25 2HB PRO 25 -12.011 -7.540 9.398 153 HG2 PRO 25 1HG PRO 25 -9.810 -9.535 9.775 154 HG3 PRO 25 2HG PRO 25 -11.403 -9.466 10.551 155 HD2 PRO 25 1HD PRO 25 -10.863 -11.123 8.479 156 HD3 PRO 25 2HD PRO 25 -12.468 -10.409 8.737 157 H ASN 26 H ASN 26 -9.133 -9.618 6.750 158 HA ASN 26 HA ASN 26 -7.011 -7.584 6.671 159 HB2 ASN 26 1HB ASN 26 -6.713 -10.595 6.643 160 HB3 ASN 26 2HB ASN 26 -5.419 -9.410 6.798 161 HD21 ASN 26 1HD2 ASN 26 -7.870 -11.178 8.404 162 HD22 ASN 26 2HD2 ASN 26 -7.549 -10.604 10.002 163 H GLN 27 H GLN 27 -8.721 -7.372 4.606 164 HA GLN 27 HA GLN 27 -7.649 -8.888 2.357 165 HB2 GLN 27 1HB GLN 27 -10.123 -8.498 2.660 166 HB3 GLN 27 2HB GLN 27 -9.828 -6.798 2.317 167 HG2 GLN 27 1HG GLN 27 -10.399 -7.491 0.240 168 HG3 GLN 27 2HG GLN 27 -8.666 -7.805 0.169 169 HE21 GLN 27 1HE2 GLN 27 -7.925 -9.946 0.369 170 HE22 GLN 27 2HE2 GLN 27 -8.964 -11.289 0.052 171 H TYR 28 H TYR 28 -8.340 -5.448 3.017 172 HA TYR 28 HA TYR 28 -5.929 -4.776 1.460 173 HB2 TYR 28 1HB TYR 28 -8.683 -3.629 1.369 174 HB3 TYR 28 2HB TYR 28 -7.321 -2.546 1.104 175 HD1 TYR 28 2HD TYR 28 -9.186 -5.413 -0.220 176 HD2 TYR 28 1HD TYR 28 -5.961 -2.720 -0.889 177 HE1 TYR 28 2HE TYR 28 -9.075 -6.138 -2.568 178 HE2 TYR 28 1HE TYR 28 -5.842 -3.436 -3.239 179 HH TYR 28 HH TYR 28 -6.830 -6.012 -4.429 180 H ALA 29 H ALA 29 -5.049 -2.588 2.000 181 HA ALA 29 HA ALA 29 -5.344 -2.048 4.884 182 HB1 ALA 29 1HB ALA 29 -3.198 -2.973 4.600 183 HB2 ALA 29 2HB ALA 29 -2.889 -2.016 3.150 184 HB3 ALA 29 3HB ALA 29 -2.948 -1.232 4.728 185 H THR 30 H THR 30 -6.083 -0.098 5.381 186 HA THR 30 HA THR 30 -6.307 1.931 3.318 187 HB THR 30 HB THR 30 -7.258 2.030 6.187 188 HG1 THR 30 1HG THR 30 -8.987 1.646 4.011 189 HG21 THR 30 1HG2 THR 30 -8.468 3.938 5.633 190 HG22 THR 30 2HG2 THR 30 -8.363 3.623 3.901 191 HG23 THR 30 3HG2 THR 30 -6.944 4.188 4.783 192 H CYS 31 H CYS 31 -4.628 3.227 2.969 193 HA CYS 31 HA CYS 31 -2.516 3.665 4.771 194 HB2 CYS 31 1HB CYS 31 -2.583 3.995 2.212 195 HB3 CYS 31 2HB CYS 31 -3.241 5.588 2.572 196 H ARG 32 H ARG 32 -2.521 4.794 6.588 197 HA ARG 32 HA ARG 32 -4.628 6.636 7.217 198 HB2 ARG 32 1HB ARG 32 -2.083 5.997 8.722 199 HB3 ARG 32 2HB ARG 32 -3.444 6.912 9.357 200 HG2 ARG 32 1HG ARG 32 -4.870 4.965 9.201 201 HG3 ARG 32 2HG ARG 32 -3.560 4.039 8.465 202 HD2 ARG 32 1HD ARG 32 -3.364 3.365 10.644 203 HD3 ARG 32 2HD ARG 32 -2.274 4.751 10.644 204 HE ARG 32 HE ARG 32 -5.013 5.318 11.393 205 HH11 ARG 32 2HH1 ARG 32 -1.799 4.514 12.462 206 HH12 ARG 32 1HH1 ARG 32 -2.043 5.113 14.069 207 HH21 ARG 32 2HH2 ARG 32 -5.347 6.110 13.505 208 HH22 ARG 32 1HH2 ARG 32 -4.062 6.020 14.662 209 H LEU 33 H LEU 33 -1.906 6.949 5.388 210 HA LEU 33 HA LEU 33 -1.205 9.638 6.240 211 HB2 LEU 33 1HB LEU 33 -0.130 7.703 4.234 212 HB3 LEU 33 2HB LEU 33 0.290 9.410 4.116 213 HG LEU 33 HG LEU 33 0.824 7.677 6.528 214 HD11 LEU 33 1HD1 LEU 33 2.870 8.672 4.573 215 HD12 LEU 33 2HD1 LEU 33 2.075 7.111 4.374 216 HD13 LEU 33 3HD1 LEU 33 3.037 7.433 5.817 217 HD21 LEU 33 1HD2 LEU 33 1.592 9.503 7.569 218 HD22 LEU 33 2HD2 LEU 33 0.638 10.401 6.388 219 HD23 LEU 33 3HD2 LEU 33 2.359 10.130 6.110 220 H CYS 34 H CYS 34 -2.336 8.096 3.229 221 HA CYS 34 HA CYS 34 -3.393 10.708 2.383 222 HB2 CYS 34 1HB CYS 34 -3.399 9.769 0.099 223 HB3 CYS 34 2HB CYS 34 -1.792 9.742 0.819 224 H GLY 35 H GLY 35 -4.203 7.287 2.735 225 HA2 GLY 35 1HA GLY 35 -6.396 6.698 3.577 226 HA3 GLY 35 2HA GLY 35 -7.049 8.059 2.677 227 H ARG 36 H ARG 36 -4.682 5.904 1.290 228 HA ARG 36 HA ARG 36 -6.739 4.964 -0.589 229 HB2 ARG 36 1HB ARG 36 -3.838 5.576 -0.842 230 HB3 ARG 36 2HB ARG 36 -4.482 4.277 -1.837 231 HG2 ARG 36 1HG ARG 36 -6.316 6.085 -2.403 232 HG3 ARG 36 2HG ARG 36 -5.024 7.193 -1.935 233 HD2 ARG 36 1HD ARG 36 -3.533 6.149 -3.563 234 HD3 ARG 36 2HD ARG 36 -4.809 5.020 -4.017 235 HE ARG 36 HE ARG 36 -5.762 7.638 -4.334 236 HH11 ARG 36 2HH1 ARG 36 -3.445 5.450 -5.735 237 HH12 ARG 36 1HH1 ARG 36 -3.537 6.157 -7.314 238 HH21 ARG 36 2HH2 ARG 36 -5.891 8.578 -6.409 239 HH22 ARG 36 1HH2 ARG 36 -4.927 7.937 -7.696 240 H GLN 37 H GLN 37 -6.969 2.794 -1.059 241 HA GLN 37 HA GLN 37 -6.076 0.983 1.006 242 HB2 GLN 37 1HB GLN 37 -7.802 0.526 -1.433 243 HB3 GLN 37 2HB GLN 37 -7.490 -0.674 -0.186 244 HG2 GLN 37 1HG GLN 37 -8.586 0.716 1.467 245 HG3 GLN 37 2HG GLN 37 -8.843 1.977 0.262 246 HE21 GLN 37 1HE2 GLN 37 -11.086 1.595 1.106 247 HE22 GLN 37 2HE2 GLN 37 -12.044 0.416 0.282 248 H VAL 38 H VAL 38 -4.457 -0.441 0.878 249 HA VAL 38 HA VAL 38 -3.331 -1.084 -1.757 250 HB VAL 38 HB VAL 38 -1.687 -0.284 0.649 251 HG11 VAL 38 1HG1 VAL 38 -0.284 -0.481 -1.870 252 HG12 VAL 38 2HG1 VAL 38 0.089 -1.221 -0.312 253 HG13 VAL 38 3HG1 VAL 38 -1.026 -2.017 -1.424 254 HG21 VAL 38 1HG2 VAL 38 -2.697 1.189 -1.677 255 HG22 VAL 38 2HG2 VAL 38 -2.135 1.782 -0.114 256 HG23 VAL 38 3HG2 VAL 38 -0.970 1.384 -1.377 257 H SER 39 H SER 39 -3.571 -3.209 -1.954 258 HA SER 39 HA SER 39 -3.561 -4.934 0.377 259 HB2 SER 39 1HB SER 39 -4.125 -6.723 -1.260 260 HB3 SER 39 2HB SER 39 -5.235 -5.355 -1.335 261 HG SER 39 HG SER 39 -4.612 -5.956 -3.418 262 H ARG 40 H ARG 40 -1.973 -6.300 0.975 263 HA ARG 40 HA ARG 40 0.436 -6.393 -0.721 264 HB2 ARG 40 1HB ARG 40 1.763 -6.585 1.321 265 HB3 ARG 40 2HB ARG 40 0.799 -5.114 1.339 266 HG2 ARG 40 1HG ARG 40 -0.368 -7.516 2.617 267 HG3 ARG 40 2HG ARG 40 0.984 -6.729 3.434 268 HD2 ARG 40 1HD ARG 40 -0.729 -5.538 4.345 269 HD3 ARG 40 2HD ARG 40 -0.446 -4.562 2.904 270 HE ARG 40 HE ARG 40 -2.537 -5.122 2.203 271 HH11 ARG 40 2HH1 ARG 40 -1.452 -7.539 4.462 272 HH12 ARG 40 1HH1 ARG 40 -2.952 -8.405 4.456 273 HH21 ARG 40 2HH2 ARG 40 -4.517 -6.254 2.187 274 HH22 ARG 40 1HH2 ARG 40 -4.695 -7.674 3.161 275 H GLY 41 H GLY 41 -1.794 -8.176 1.300 276 HA2 GLY 41 1HA GLY 41 -1.980 -10.532 0.205 277 HA3 GLY 41 2HA GLY 41 -0.328 -10.669 0.789 278 HA PRO 42 HA PRO 42 -3.607 -11.789 4.072 279 HB2 PRO 42 1HB PRO 42 -3.460 -14.495 3.907 280 HB3 PRO 42 2HB PRO 42 -4.613 -13.537 2.970 281 HG2 PRO 42 1HG PRO 42 -1.982 -14.690 2.126 282 HG3 PRO 42 2HG PRO 42 -3.522 -14.655 1.248 283 HD2 PRO 42 1HD PRO 42 -1.512 -12.915 0.734 284 HD3 PRO 42 2HD PRO 42 -3.223 -12.476 0.558 285 H GLY 43 H GLY 43 -0.513 -13.243 3.166 286 HA2 GLY 43 1HA GLY 43 0.190 -13.312 6.036 287 HA3 GLY 43 2HA GLY 43 0.715 -14.550 4.906 288 H VAL 44 H VAL 44 1.127 -11.228 5.927 289 HA VAL 44 HA VAL 44 3.664 -11.147 4.427 290 HB VAL 44 HB VAL 44 2.298 -9.492 3.438 291 HG11 VAL 44 1HG1 VAL 44 1.479 -7.666 5.299 292 HG12 VAL 44 2HG1 VAL 44 0.467 -8.934 4.604 293 HG13 VAL 44 3HG1 VAL 44 1.263 -9.191 6.157 294 HG21 VAL 44 1HG2 VAL 44 3.718 -7.777 5.420 295 HG22 VAL 44 2HG2 VAL 44 4.660 -8.861 4.396 296 HG23 VAL 44 3HG2 VAL 44 3.628 -7.632 3.664 297 H ASN 45 H ASN 45 5.369 -11.253 5.718 298 HA ASN 45 HA ASN 45 5.202 -9.996 8.377 299 HB2 ASN 45 1HB ASN 45 6.485 -12.609 7.580 300 HB3 ASN 45 2HB ASN 45 6.876 -11.783 9.086 301 HD21 ASN 45 1HD2 ASN 45 4.424 -13.478 7.296 302 HD22 ASN 45 2HD2 ASN 45 3.372 -13.778 8.633 303 H VAL 46 H VAL 46 7.731 -11.392 6.282 304 HA VAL 46 HA VAL 46 9.386 -9.029 6.838 305 HB VAL 46 HB VAL 46 11.296 -10.362 6.102 306 HG11 VAL 46 1HG1 VAL 46 10.681 -12.367 7.871 307 HG12 VAL 46 2HG1 VAL 46 11.313 -10.776 8.300 308 HG13 VAL 46 3HG1 VAL 46 9.575 -11.078 8.346 309 HG21 VAL 46 1HG2 VAL 46 10.787 -11.924 4.562 310 HG22 VAL 46 2HG2 VAL 46 10.550 -12.961 5.969 311 HG23 VAL 46 3HG2 VAL 46 9.165 -12.181 5.205 312 H GLY 47 H GLY 47 10.979 -8.573 4.937 313 HA2 GLY 47 1HA GLY 47 11.329 -8.277 2.625 314 HA3 GLY 47 2HA GLY 47 9.709 -8.889 2.325 315 H THR 48 H THR 48 10.360 -6.755 0.914 316 HA THR 48 HA THR 48 9.839 -4.264 2.197 317 HB THR 48 HB THR 48 9.682 -4.933 -0.748 318 HG1 THR 48 1HG THR 48 11.867 -3.666 -0.365 319 HG21 THR 48 1HG2 THR 48 10.430 -2.234 0.196 320 HG22 THR 48 2HG2 THR 48 8.740 -2.693 0.412 321 HG23 THR 48 3HG2 THR 48 9.464 -2.721 -1.196 322 H THR 49 H THR 49 7.863 -4.828 3.329 323 HA THR 49 HA THR 49 5.489 -5.711 2.401 324 HB THR 49 HB THR 49 5.526 -3.205 4.065 325 HG1 THR 49 1HG THR 49 5.717 -5.043 5.785 326 HG21 THR 49 1HG2 THR 49 3.649 -4.272 5.187 327 HG22 THR 49 2HG2 THR 49 3.853 -5.717 4.198 328 HG23 THR 49 3HG2 THR 49 3.355 -4.200 3.450 329 H ALA 50 H ALA 50 4.161 -5.203 0.795 330 HA ALA 50 HA ALA 50 4.461 -3.425 -1.174 331 HB1 ALA 50 1HB ALA 50 1.713 -3.296 -0.782 332 HB2 ALA 50 2HB ALA 50 2.591 -4.482 -1.750 333 HB3 ALA 50 3HB ALA 50 2.194 -4.836 -0.068 334 H LEU 51 H LEU 51 3.034 -2.678 1.970 335 HA LEU 51 HA LEU 51 2.057 -0.144 1.527 336 HB2 LEU 51 1HB LEU 51 3.580 -0.942 3.996 337 HB3 LEU 51 2HB LEU 51 2.299 0.260 3.865 338 HG LEU 51 HG LEU 51 1.916 -2.711 3.500 339 HD11 LEU 51 1HD1 LEU 51 0.540 -1.735 5.755 340 HD12 LEU 51 2HD1 LEU 51 2.200 -1.153 5.877 341 HD13 LEU 51 3HD1 LEU 51 1.881 -2.879 5.708 342 HD21 LEU 51 1HD2 LEU 51 -0.509 -1.965 3.870 343 HD22 LEU 51 2HD2 LEU 51 0.219 -1.655 2.294 344 HD23 LEU 51 3HD2 LEU 51 0.068 -0.348 3.468 345 H TRP 52 H TRP 52 5.380 -1.050 2.408 346 HA TRP 52 HA TRP 52 6.497 1.472 2.597 347 HB2 TRP 52 1HB TRP 52 7.628 -1.177 1.730 348 HB3 TRP 52 2HB TRP 52 8.630 0.271 1.751 349 HD1 TRP 52 HD TRP 52 7.390 -2.454 3.957 350 HE1 TRP 52 1HE TRP 52 8.080 -2.006 6.396 351 HE3 TRP 52 3HE TRP 52 8.931 2.398 3.487 352 HZ2 TRP 52 2HZ TRP 52 9.137 0.122 7.919 353 HZ3 TRP 52 3HZ TRP 52 9.767 3.568 5.483 354 HH2 TRP 52 HH TRP 52 9.867 2.452 7.652 355 H LYS 53 H LYS 53 6.233 -0.580 -0.300 356 HA LYS 53 HA LYS 53 7.487 1.024 -2.145 357 HB2 LYS 53 1HB LYS 53 5.025 -0.693 -2.497 358 HB3 LYS 53 2HB LYS 53 5.932 0.006 -3.832 359 HG2 LYS 53 1HG LYS 53 7.926 -1.237 -3.096 360 HG3 LYS 53 2HG LYS 53 6.963 -1.980 -1.817 361 HD2 LYS 53 1HD LYS 53 5.408 -2.772 -3.677 362 HD3 LYS 53 2HD LYS 53 6.695 -2.312 -4.794 363 HE2 LYS 53 1HE LYS 53 7.254 -4.497 -4.458 364 HE3 LYS 53 2HE LYS 53 8.156 -3.764 -3.133 365 HZ1 LYS 53 1HZ LYS 53 5.398 -4.741 -2.741 366 HZ2 LYS 53 2HZ LYS 53 6.597 -4.467 -1.581 367 HZ3 LYS 53 3HZ LYS 53 6.719 -5.792 -2.626 368 H HIS 54 H HIS 54 4.176 1.272 -0.938 369 HA HIS 54 HA HIS 54 3.420 3.388 -2.694 370 HB2 HIS 54 1HB HIS 54 1.729 1.952 -1.695 371 HB3 HIS 54 2HB HIS 54 2.214 2.458 -0.080 372 HD1 HIS 54 1HD HIS 54 0.750 3.987 -3.235 373 HD2 HIS 54 2HD HIS 54 0.813 4.575 0.878 374 HE1 HIS 54 1HE HIS 54 -0.852 5.877 -2.801 375 H LEU 55 H LEU 55 4.564 3.247 0.654 376 HA LEU 55 HA LEU 55 4.286 5.969 1.262 377 HB2 LEU 55 1HB LEU 55 6.226 3.911 2.297 378 HB3 LEU 55 2HB LEU 55 6.043 5.523 2.985 379 HG LEU 55 HG LEU 55 3.722 3.628 2.813 380 HD11 LEU 55 1HD1 LEU 55 5.393 2.384 3.989 381 HD12 LEU 55 2HD1 LEU 55 4.243 3.016 5.167 382 HD13 LEU 55 3HD1 LEU 55 5.818 3.786 4.971 383 HD21 LEU 55 1HD2 LEU 55 3.723 6.218 3.390 384 HD22 LEU 55 2HD2 LEU 55 4.151 5.602 4.987 385 HD23 LEU 55 3HD2 LEU 55 2.657 5.076 4.209 386 H LYS 56 H LYS 56 7.101 4.168 0.042 387 HA LYS 56 HA LYS 56 8.710 6.521 -0.226 388 HB2 LYS 56 1HB LYS 56 9.151 3.827 -1.518 389 HB3 LYS 56 2HB LYS 56 10.356 5.073 -1.224 390 HG2 LYS 56 1HG LYS 56 10.562 4.553 0.978 391 HG3 LYS 56 2HG LYS 56 8.890 4.007 1.121 392 HD2 LYS 56 1HD LYS 56 10.048 2.016 1.275 393 HD3 LYS 56 2HD LYS 56 9.680 2.080 -0.450 394 HE2 LYS 56 1HE LYS 56 12.219 3.308 0.487 395 HE3 LYS 56 2HE LYS 56 12.116 1.548 0.452 396 HZ1 LYS 56 1HZ LYS 56 12.174 3.448 -1.751 397 HZ2 LYS 56 2HZ LYS 56 11.146 2.119 -1.943 398 HZ3 LYS 56 3HZ LYS 56 12.796 1.877 -1.658 399 H SER 57 H SER 57 6.173 5.273 -2.012 400 HA SER 57 HA SER 57 7.128 6.110 -4.613 401 HB2 SER 57 1HB SER 57 5.694 4.205 -4.633 402 HB3 SER 57 2HB SER 57 4.487 5.017 -3.635 403 HG SER 57 HG SER 57 4.176 6.476 -5.406 404 H MET 58 H MET 58 4.797 7.221 -2.194 405 HA MET 58 HA MET 58 4.694 9.806 -3.605 406 HB2 MET 58 1HB MET 58 2.403 10.091 -2.889 407 HB3 MET 58 2HB MET 58 2.552 8.568 -3.754 408 HG2 MET 58 1HG MET 58 2.218 7.304 -1.875 409 HG3 MET 58 2HG MET 58 2.800 8.566 -0.791 410 HE1 MET 58 1HE MET 58 0.529 9.435 -3.661 411 HE2 MET 58 2HE MET 58 -0.289 7.899 -3.372 412 HE3 MET 58 3HE MET 58 -1.110 9.418 -3.008 413 H HIS 59 H HIS 59 4.819 8.105 -0.546 414 HA HIS 59 HA HIS 59 5.038 10.620 0.927 415 HB2 HIS 59 1HB HIS 59 4.959 7.770 1.940 416 HB3 HIS 59 2HB HIS 59 4.936 9.218 2.943 417 HD1 HIS 59 1HD HIS 59 2.779 10.876 2.278 418 HD2 HIS 59 2HD HIS 59 2.485 6.813 1.459 419 HE1 HIS 59 1HE HIS 59 0.318 10.416 2.033 420 H ARG 60 H ARG 60 7.125 9.609 -0.929 421 HA ARG 60 HA ARG 60 9.316 8.510 0.365 422 HB2 ARG 60 1HB ARG 60 9.328 8.749 -2.021 423 HB3 ARG 60 2HB ARG 60 9.182 10.497 -1.903 424 HG2 ARG 60 1HG ARG 60 11.403 10.693 -1.044 425 HG3 ARG 60 2HG ARG 60 11.555 8.940 -0.905 426 HD2 ARG 60 1HD ARG 60 11.725 8.646 -3.199 427 HD3 ARG 60 2HD ARG 60 10.961 10.195 -3.554 428 HE ARG 60 HE ARG 60 13.738 9.712 -3.166 429 HH11 ARG 60 2HH1 ARG 60 11.226 12.070 -2.666 430 HH12 ARG 60 1HH1 ARG 60 12.309 13.423 -2.703 431 HH21 ARG 60 2HH2 ARG 60 15.173 11.484 -3.216 432 HH22 ARG 60 1HH2 ARG 60 14.553 13.088 -3.016 433 H GLU 61 H GLU 61 8.165 11.828 0.319 434 HA GLU 61 HA GLU 61 10.475 12.944 1.568 435 HB2 GLU 61 1HB GLU 61 7.698 13.921 1.005 436 HB3 GLU 61 2HB GLU 61 8.753 14.844 2.065 437 HG2 GLU 61 1HG GLU 61 10.196 15.405 0.375 438 HG3 GLU 61 2HG GLU 61 9.768 14.001 -0.602 439 H GLU 62 H GLU 62 7.320 11.836 2.719 440 HA GLU 62 HA GLU 62 7.573 12.672 5.385 441 HB2 GLU 62 1HB GLU 62 5.423 12.012 4.604 442 HB3 GLU 62 2HB GLU 62 6.010 10.429 4.116 443 HG2 GLU 62 1HG GLU 62 4.937 9.890 6.050 444 HG3 GLU 62 2HG GLU 62 6.561 10.191 6.666 445 H LEU 63 H LEU 63 8.479 9.635 3.802 446 HA LEU 63 HA LEU 63 9.313 8.272 6.116 447 HB2 LEU 63 1HB LEU 63 10.268 7.970 3.273 448 HB3 LEU 63 2HB LEU 63 10.555 6.816 4.574 449 HG LEU 63 HG LEU 63 7.895 7.513 3.333 450 HD11 LEU 63 1HD1 LEU 63 9.767 5.882 2.314 451 HD12 LEU 63 2HD1 LEU 63 8.035 5.606 2.137 452 HD13 LEU 63 3HD1 LEU 63 8.939 4.756 3.390 453 HD21 LEU 63 1HD2 LEU 63 8.561 5.642 5.603 454 HD22 LEU 63 2HD2 LEU 63 6.998 5.739 4.791 455 HD23 LEU 63 3HD2 LEU 63 7.606 7.122 5.703 456 H GLU 64 H GLU 64 11.313 9.866 3.624 457 HA GLU 64 HA GLU 64 13.766 9.631 4.866 458 HB2 GLU 64 1HB GLU 64 12.704 11.841 3.104 459 HB3 GLU 64 2HB GLU 64 14.389 11.715 3.588 460 HG2 GLU 64 1HG GLU 64 14.170 9.300 2.599 461 HG3 GLU 64 2HG GLU 64 12.819 10.014 1.721 462 H LYS 65 H LYS 65 11.362 12.215 5.233 463 HA LYS 65 HA LYS 65 12.731 13.965 6.849 464 HB2 LYS 65 1HB LYS 65 10.399 14.241 5.937 465 HB3 LYS 65 2HB LYS 65 9.833 13.211 7.245 466 HG2 LYS 65 1HG LYS 65 10.600 14.808 8.887 467 HG3 LYS 65 2HG LYS 65 11.291 15.820 7.616 468 HD2 LYS 65 1HD LYS 65 8.387 15.104 7.550 469 HD3 LYS 65 2HD LYS 65 8.953 16.400 8.606 470 HE2 LYS 65 1HE LYS 65 9.588 16.284 5.666 471 HE3 LYS 65 2HE LYS 65 8.158 17.093 6.305 472 HZ1 LYS 65 1HZ LYS 65 10.187 18.518 5.912 473 HZ2 LYS 65 2HZ LYS 65 10.887 17.746 7.244 474 HZ3 LYS 65 3HZ LYS 65 9.470 18.649 7.439 475 H SER 66 H SER 66 10.805 11.164 7.907 476 HA SER 66 HA SER 66 11.419 11.475 10.658 477 HB2 SER 66 1HB SER 66 10.350 9.157 9.047 478 HB3 SER 66 2HB SER 66 10.607 9.058 10.789 479 HG SER 66 HG SER 66 9.016 11.040 9.529 480 H GLY 67 H GLY 67 12.562 9.061 8.286 481 HA2 GLY 67 1HA GLY 67 15.179 9.051 8.455 482 HA3 GLY 67 2HA GLY 67 14.810 8.447 10.064 483 H HIS 68 H HIS 68 13.221 7.746 6.970 484 HA HIS 68 HA HIS 68 14.073 4.942 7.263 485 HB2 HIS 68 1HB HIS 68 11.347 5.985 6.478 486 HB3 HIS 68 2HB HIS 68 11.844 4.305 6.291 487 HD1 HIS 68 1HD HIS 68 12.834 3.318 8.763 488 HD2 HIS 68 2HD HIS 68 9.987 6.344 8.773 489 HE1 HIS 68 1HE HIS 68 11.785 3.246 11.047 490 H GLY 69 H GLY 69 15.708 5.094 5.744 491 HA2 GLY 69 1HA GLY 69 14.787 5.576 2.977 492 HA3 GLY 69 2HA GLY 69 16.350 6.139 3.549 493 H GLN 70 H GLN 70 17.527 4.151 4.765 494 HA GLN 70 HA GLN 70 17.940 2.218 2.650 495 HB2 GLN 70 1HB GLN 70 19.851 1.474 3.992 496 HB3 GLN 70 2HB GLN 70 19.876 3.217 3.756 497 HG2 GLN 70 1HG GLN 70 18.945 3.520 6.005 498 HG3 GLN 70 2HG GLN 70 18.974 1.773 6.238 499 HE21 GLN 70 1HE2 GLN 70 20.667 4.635 6.600 500 HE22 GLN 70 2HE2 GLN 70 22.224 3.975 6.956 501 H SER 71 H SER 71 15.421 2.058 3.996 502 HA SER 71 HA SER 71 15.456 -0.060 5.906 503 HB2 SER 71 1HB SER 71 13.032 -0.043 5.691 504 HB3 SER 71 2HB SER 71 13.626 1.617 5.757 505 HG SER 71 HG SER 71 13.563 1.480 3.367 506 H GLY 72 H GLY 72 15.610 -2.179 5.576 507 HA2 GLY 72 1HA GLY 72 14.880 -4.173 4.429 508 HA3 GLY 72 2HA GLY 72 14.863 -3.250 2.934 509 HA PRO 73 HA PRO 73 19.099 -5.345 3.960 510 HB2 PRO 73 1HB PRO 73 18.711 -7.897 3.120 511 HB3 PRO 73 2HB PRO 73 18.462 -7.389 4.794 512 HG2 PRO 73 1HG PRO 73 16.447 -7.795 2.618 513 HG3 PRO 73 2HG PRO 73 16.365 -8.276 4.323 514 HD2 PRO 73 1HD PRO 73 15.110 -6.074 3.367 515 HD3 PRO 73 2HD PRO 73 15.755 -6.164 5.019 516 H SER 74 H SER 74 16.879 -6.284 1.335 517 HA SER 74 HA SER 74 18.961 -5.494 -0.590 518 HB2 SER 74 1HB SER 74 17.115 -7.882 -0.843 519 HB3 SER 74 2HB SER 74 18.275 -7.346 -2.058 520 HG SER 74 HG SER 74 19.209 -8.978 -0.848 521 H SER 75 H SER 75 18.053 -3.525 -1.062 522 HA SER 75 HA SER 75 15.275 -3.495 -2.009 523 HB2 SER 75 1HB SER 75 15.438 -1.036 -1.799 524 HB3 SER 75 2HB SER 75 15.804 -1.850 -0.278 525 HG SER 75 HG SER 75 17.761 -0.960 -2.130 526 H GLY 76 H GLY 76 17.101 -4.711 -3.701 527 HA2 GLY 76 1HA GLY 76 17.863 -4.683 -5.867 528 HA3 GLY 76 2HA GLY 76 16.615 -3.475 -6.137 Start of MODEL 4 1 H1 GLY 1 H GLY 1 18.258 -17.335 14.423 2 HA2 GLY 1 1HA GLY 1 16.709 -18.256 16.056 3 HA3 GLY 1 2HA GLY 1 16.699 -16.506 16.218 4 H SER 2 H SER 2 14.561 -16.839 17.145 5 HA SER 2 HA SER 2 12.492 -17.402 15.131 6 HB2 SER 2 1HB SER 2 10.973 -17.788 17.021 7 HB3 SER 2 2HB SER 2 12.403 -18.812 17.151 8 HG SER 2 HG SER 2 12.928 -17.828 18.932 9 H SER 3 H SER 3 12.541 -15.345 14.165 10 HA SER 3 HA SER 3 10.819 -13.428 15.374 11 HB2 SER 3 1HB SER 3 12.441 -11.543 15.425 12 HB3 SER 3 2HB SER 3 12.824 -12.801 16.600 13 HG SER 3 HG SER 3 14.048 -13.389 14.314 14 H GLY 4 H GLY 4 10.051 -11.909 13.901 15 HA2 GLY 4 1HA GLY 4 11.258 -11.811 11.244 16 HA3 GLY 4 2HA GLY 4 9.628 -12.459 11.347 17 H SER 5 H SER 5 11.559 -9.642 11.249 18 HA SER 5 HA SER 5 9.480 -7.850 12.154 19 HB2 SER 5 1HB SER 5 11.857 -7.323 12.556 20 HB3 SER 5 2HB SER 5 12.128 -7.241 10.815 21 HG SER 5 HG SER 5 11.361 -5.292 10.831 22 H SER 6 H SER 6 11.245 -8.222 9.074 23 HA SER 6 HA SER 6 10.661 -7.753 6.923 24 HB2 SER 6 1HB SER 6 9.151 -9.641 7.256 25 HB3 SER 6 2HB SER 6 7.934 -8.574 7.956 26 HG SER 6 HG SER 6 8.872 -7.892 5.435 27 H GLY 7 H GLY 7 10.955 -5.484 8.336 28 HA2 GLY 7 1HA GLY 7 10.194 -3.307 8.656 29 HA3 GLY 7 2HA GLY 7 9.929 -3.461 6.926 30 H SER 8 H SER 8 8.362 -4.161 10.040 31 HA SER 8 HA SER 8 5.741 -4.099 8.807 32 HB2 SER 8 1HB SER 8 4.939 -4.507 11.148 33 HB3 SER 8 2HB SER 8 6.077 -5.720 10.562 34 HG SER 8 HG SER 8 6.350 -4.650 12.773 35 H GLU 9 H GLU 9 7.887 -1.890 10.255 36 HA GLU 9 HA GLU 9 6.340 -0.074 11.587 37 HB2 GLU 9 1HB GLU 9 8.785 0.119 11.270 38 HB3 GLU 9 2HB GLU 9 8.517 0.599 9.600 39 HG2 GLU 9 1HG GLU 9 8.831 2.623 10.635 40 HG3 GLU 9 2HG GLU 9 7.074 2.484 10.634 41 H ALA 10 H ALA 10 6.548 -0.574 8.116 42 HA ALA 10 HA ALA 10 5.312 1.688 7.145 43 HB1 ALA 10 1HB ALA 10 5.191 0.592 5.176 44 HB2 ALA 10 2HB ALA 10 6.198 -0.586 6.019 45 HB3 ALA 10 3HB ALA 10 4.457 -0.842 5.895 46 H TRP 11 H TRP 11 3.849 -1.153 8.627 47 HA TRP 11 HA TRP 11 1.186 -0.746 8.008 48 HB2 TRP 11 1HB TRP 11 2.610 -2.009 10.309 49 HB3 TRP 11 2HB TRP 11 0.873 -1.751 10.441 50 HD1 TRP 11 HD TRP 11 3.146 -4.365 9.502 51 HE1 TRP 11 1HE TRP 11 2.058 -6.075 7.916 52 HE3 TRP 11 3HE TRP 11 -0.946 -1.655 8.069 53 HZ2 TRP 11 2HZ TRP 11 -0.231 -6.252 6.274 54 HZ3 TRP 11 3HZ TRP 11 -2.535 -2.667 6.487 55 HH2 TRP 11 HH TRP 11 -2.183 -4.917 5.608 56 H GLU 12 H GLU 12 3.211 0.942 10.295 57 HA GLU 12 HA GLU 12 1.277 2.156 11.891 58 HB2 GLU 12 1HB GLU 12 3.922 3.303 10.981 59 HB3 GLU 12 2HB GLU 12 2.969 3.885 12.338 60 HG2 GLU 12 1HG GLU 12 4.127 1.116 12.132 61 HG3 GLU 12 2HG GLU 12 4.879 2.458 12.992 62 H TYR 13 H TYR 13 2.047 2.664 8.592 63 HA TYR 13 HA TYR 13 0.591 5.217 8.557 64 HB2 TYR 13 1HB TYR 13 2.204 4.004 6.310 65 HB3 TYR 13 2HB TYR 13 1.607 5.655 6.428 66 HD1 TYR 13 2HD TYR 13 4.101 3.265 7.702 67 HD2 TYR 13 1HD TYR 13 2.782 7.310 7.705 68 HE1 TYR 13 2HE TYR 13 6.220 3.949 8.746 69 HE2 TYR 13 1HE TYR 13 4.898 8.006 8.749 70 HH TYR 13 HH TYR 13 6.777 6.390 10.350 71 H PHE 14 H PHE 14 -0.424 2.323 8.644 72 HA PHE 14 HA PHE 14 -2.550 2.744 6.718 73 HB2 PHE 14 1HB PHE 14 -0.839 0.249 6.648 74 HB3 PHE 14 2HB PHE 14 -2.329 0.484 5.740 75 HD1 PHE 14 1HD PHE 14 1.014 2.046 6.253 76 HD2 PHE 14 2HD PHE 14 -2.211 1.281 3.583 77 HE1 PHE 14 1HE PHE 14 2.301 3.054 4.414 78 HE2 PHE 14 2HE PHE 14 -0.929 2.287 1.740 79 HZ PHE 14 HZ PHE 14 1.331 3.175 2.154 80 H HIS 15 H HIS 15 -4.361 1.262 7.040 81 HA HIS 15 HA HIS 15 -4.354 -0.215 9.559 82 HB2 HIS 15 1HB HIS 15 -5.985 1.003 10.613 83 HB3 HIS 15 2HB HIS 15 -5.215 2.299 9.702 84 HD1 HIS 15 1HD HIS 15 -8.060 -0.167 9.097 85 HD2 HIS 15 2HD HIS 15 -7.031 3.795 8.389 86 HE1 HIS 15 1HE HIS 15 -10.054 0.851 7.952 87 H LEU 16 H LEU 16 -5.358 -2.104 9.340 88 HA LEU 16 HA LEU 16 -6.440 -2.977 6.915 89 HB2 LEU 16 1HB LEU 16 -6.783 -4.074 9.701 90 HB3 LEU 16 2HB LEU 16 -7.283 -4.914 8.234 91 HG LEU 16 HG LEU 16 -4.436 -4.131 8.847 92 HD11 LEU 16 1HD1 LEU 16 -6.050 -6.470 9.644 93 HD12 LEU 16 2HD1 LEU 16 -4.638 -5.746 10.412 94 HD13 LEU 16 3HD1 LEU 16 -4.437 -6.804 9.015 95 HD21 LEU 16 1HD2 LEU 16 -5.621 -5.984 6.782 96 HD22 LEU 16 2HD2 LEU 16 -3.902 -5.692 7.048 97 HD23 LEU 16 3HD2 LEU 16 -4.940 -4.387 6.471 98 H ALA 17 H ALA 17 -8.475 -3.114 6.106 99 HA ALA 17 HA ALA 17 -10.520 -1.529 7.448 100 HB1 ALA 17 1HB ALA 17 -10.855 -2.780 4.750 101 HB2 ALA 17 2HB ALA 17 -11.559 -1.294 5.388 102 HB3 ALA 17 3HB ALA 17 -9.849 -1.346 4.958 103 HA PRO 18 HA PRO 18 -12.709 -5.055 8.944 104 HB2 PRO 18 1HB PRO 18 -15.119 -3.874 9.352 105 HB3 PRO 18 2HB PRO 18 -13.727 -3.604 10.406 106 HG2 PRO 18 1HG PRO 18 -14.779 -1.896 8.184 107 HG3 PRO 18 2HG PRO 18 -14.198 -1.412 9.788 108 HD2 PRO 18 1HD PRO 18 -12.674 -1.197 7.561 109 HD3 PRO 18 2HD PRO 18 -11.984 -1.534 9.161 110 H ALA 19 H ALA 19 -13.743 -6.698 7.984 111 HA ALA 19 HA ALA 19 -14.875 -6.291 5.342 112 HB1 ALA 19 1HB ALA 19 -15.191 -8.970 6.014 113 HB2 ALA 19 2HB ALA 19 -13.894 -8.265 5.048 114 HB3 ALA 19 3HB ALA 19 -13.678 -8.490 6.783 115 H ARG 20 H ARG 20 -15.980 -8.197 8.150 116 HA ARG 20 HA ARG 20 -18.141 -8.868 8.646 117 HB2 ARG 20 1HB ARG 20 -19.393 -7.041 9.616 118 HB3 ARG 20 2HB ARG 20 -17.684 -6.825 9.972 119 HG2 ARG 20 1HG ARG 20 -17.610 -5.268 7.974 120 HG3 ARG 20 2HG ARG 20 -19.373 -5.326 7.997 121 HD2 ARG 20 1HD ARG 20 -17.861 -4.675 10.492 122 HD3 ARG 20 2HD ARG 20 -18.118 -3.432 9.269 123 HE ARG 20 HE ARG 20 -20.022 -4.374 11.129 124 HH11 ARG 20 2HH1 ARG 20 -19.716 -3.383 7.806 125 HH12 ARG 20 1HH1 ARG 20 -21.360 -2.853 7.677 126 HH21 ARG 20 2HH2 ARG 20 -22.189 -3.679 10.971 127 HH22 ARG 20 1HH2 ARG 20 -22.765 -3.021 9.478 128 H ALA 21 H ALA 21 -17.787 -8.866 5.843 129 HA ALA 21 HA ALA 21 -20.489 -8.078 4.971 130 HB1 ALA 21 1HB ALA 21 -19.191 -6.562 3.803 131 HB2 ALA 21 2HB ALA 21 -17.867 -7.707 3.583 132 HB3 ALA 21 3HB ALA 21 -19.352 -7.886 2.649 133 H GLY 22 H GLY 22 -17.740 -10.058 3.827 134 HA2 GLY 22 1HA GLY 22 -19.238 -12.487 3.964 135 HA3 GLY 22 2HA GLY 22 -19.150 -11.880 2.318 136 H HIS 23 H HIS 23 -16.540 -10.775 2.455 137 HA HIS 23 HA HIS 23 -15.014 -13.209 2.130 138 HB2 HIS 23 1HB HIS 23 -13.188 -11.362 1.599 139 HB3 HIS 23 2HB HIS 23 -14.445 -11.768 0.434 140 HD1 HIS 23 1HD HIS 23 -14.592 -9.433 3.435 141 HD2 HIS 23 2HD HIS 23 -15.095 -9.394 -0.688 142 HE1 HIS 23 1HE HIS 23 -15.368 -7.108 2.875 143 H HIS 24 H HIS 24 -12.903 -13.524 3.096 144 HA HIS 24 HA HIS 24 -12.906 -13.365 5.870 145 HB2 HIS 24 1HB HIS 24 -10.701 -14.223 5.809 146 HB3 HIS 24 2HB HIS 24 -11.492 -14.871 4.375 147 HD1 HIS 24 1HD HIS 24 -8.898 -12.368 5.430 148 HD2 HIS 24 2HD HIS 24 -10.405 -14.069 1.952 149 HE1 HIS 24 1HE HIS 24 -7.314 -11.677 3.603 150 HA PRO 25 HA PRO 25 -11.607 -9.302 6.909 151 HB2 PRO 25 1HB PRO 25 -10.210 -9.776 9.187 152 HB3 PRO 25 2HB PRO 25 -11.972 -9.881 9.102 153 HG2 PRO 25 1HG PRO 25 -9.937 -12.074 8.999 154 HG3 PRO 25 2HG PRO 25 -11.476 -12.016 9.878 155 HD2 PRO 25 1HD PRO 25 -11.189 -13.332 7.529 156 HD3 PRO 25 2HD PRO 25 -12.710 -12.551 8.005 157 H ASN 26 H ASN 26 -9.652 -7.981 7.430 158 HA ASN 26 HA ASN 26 -7.559 -7.243 6.932 159 HB2 ASN 26 1HB ASN 26 -6.917 -10.196 7.077 160 HB3 ASN 26 2HB ASN 26 -5.708 -8.920 6.963 161 HD21 ASN 26 1HD2 ASN 26 -5.413 -10.486 9.026 162 HD22 ASN 26 2HD2 ASN 26 -5.949 -9.751 10.495 163 H GLN 27 H GLN 27 -9.355 -7.577 4.809 164 HA GLN 27 HA GLN 27 -8.161 -8.920 2.605 165 HB2 GLN 27 1HB GLN 27 -10.595 -8.360 2.805 166 HB3 GLN 27 2HB GLN 27 -10.180 -6.674 2.525 167 HG2 GLN 27 1HG GLN 27 -10.723 -7.269 0.410 168 HG3 GLN 27 2HG GLN 27 -9.013 -7.694 0.385 169 HE21 GLN 27 1HE2 GLN 27 -11.970 -8.734 -0.474 170 HE22 GLN 27 2HE2 GLN 27 -11.707 -10.441 -0.471 171 H TYR 28 H TYR 28 -8.786 -5.425 2.864 172 HA TYR 28 HA TYR 28 -6.187 -4.966 1.553 173 HB2 TYR 28 1HB TYR 28 -8.868 -3.727 1.161 174 HB3 TYR 28 2HB TYR 28 -7.454 -2.696 0.972 175 HD1 TYR 28 2HD TYR 28 -7.603 -6.289 0.105 176 HD2 TYR 28 1HD TYR 28 -7.604 -2.295 -1.362 177 HE1 TYR 28 2HE TYR 28 -7.297 -7.135 -2.184 178 HE2 TYR 28 1HE TYR 28 -7.299 -3.130 -3.655 179 HH TYR 28 HH TYR 28 -7.729 -6.370 -4.502 180 H ALA 29 H ALA 29 -5.253 -2.775 2.014 181 HA ALA 29 HA ALA 29 -5.638 -2.122 4.861 182 HB1 ALA 29 1HB ALA 29 -3.156 -1.629 3.228 183 HB2 ALA 29 2HB ALA 29 -3.340 -1.497 4.977 184 HB3 ALA 29 3HB ALA 29 -3.422 -3.077 4.199 185 H THR 30 H THR 30 -5.661 0.042 5.512 186 HA THR 30 HA THR 30 -6.237 1.952 3.345 187 HB THR 30 HB THR 30 -7.116 2.238 6.217 188 HG1 THR 30 1HG THR 30 -8.352 0.571 5.696 189 HG21 THR 30 1HG2 THR 30 -8.173 3.472 3.671 190 HG22 THR 30 2HG2 THR 30 -7.079 4.272 4.800 191 HG23 THR 30 3HG2 THR 30 -8.705 3.825 5.315 192 H CYS 31 H CYS 31 -4.565 3.246 2.962 193 HA CYS 31 HA CYS 31 -2.406 3.694 4.680 194 HB2 CYS 31 1HB CYS 31 -2.584 4.100 2.144 195 HB3 CYS 31 2HB CYS 31 -3.270 5.663 2.572 196 H ARG 32 H ARG 32 -2.376 4.731 6.551 197 HA ARG 32 HA ARG 32 -4.457 6.556 7.309 198 HB2 ARG 32 1HB ARG 32 -1.883 5.838 8.725 199 HB3 ARG 32 2HB ARG 32 -3.222 6.733 9.430 200 HG2 ARG 32 1HG ARG 32 -4.671 4.768 9.112 201 HG3 ARG 32 2HG ARG 32 -3.283 3.876 8.485 202 HD2 ARG 32 1HD ARG 32 -3.517 3.282 10.774 203 HD3 ARG 32 2HD ARG 32 -2.120 4.351 10.656 204 HE ARG 32 HE ARG 32 -4.089 6.069 11.257 205 HH11 ARG 32 2HH1 ARG 32 -3.151 3.021 12.653 206 HH12 ARG 32 1HH1 ARG 32 -3.694 3.434 14.245 207 HH21 ARG 32 2HH2 ARG 32 -4.808 6.625 13.349 208 HH22 ARG 32 1HH2 ARG 32 -4.637 5.484 14.640 209 H LEU 33 H LEU 33 -1.805 6.937 5.408 210 HA LEU 33 HA LEU 33 -1.062 9.584 6.362 211 HB2 LEU 33 1HB LEU 33 -0.026 7.713 4.280 212 HB3 LEU 33 2HB LEU 33 0.387 9.424 4.191 213 HG LEU 33 HG LEU 33 0.997 7.604 6.520 214 HD11 LEU 33 1HD1 LEU 33 3.070 8.798 4.749 215 HD12 LEU 33 2HD1 LEU 33 2.219 7.350 4.212 216 HD13 LEU 33 3HD1 LEU 33 3.126 7.330 5.725 217 HD21 LEU 33 1HD2 LEU 33 0.715 9.868 7.263 218 HD22 LEU 33 2HD2 LEU 33 1.715 10.475 5.943 219 HD23 LEU 33 3HD2 LEU 33 2.439 9.501 7.225 220 H CYS 34 H CYS 34 -2.267 8.155 3.325 221 HA CYS 34 HA CYS 34 -3.326 10.801 2.594 222 HB2 CYS 34 1HB CYS 34 -3.345 9.992 0.281 223 HB3 CYS 34 2HB CYS 34 -1.736 9.852 0.982 224 H GLY 35 H GLY 35 -4.134 7.367 2.815 225 HA2 GLY 35 1HA GLY 35 -6.314 6.748 3.676 226 HA3 GLY 35 2HA GLY 35 -6.980 8.143 2.840 227 H ARG 36 H ARG 36 -4.631 6.135 1.261 228 HA ARG 36 HA ARG 36 -6.687 5.313 -0.652 229 HB2 ARG 36 1HB ARG 36 -3.742 5.713 -0.766 230 HB3 ARG 36 2HB ARG 36 -4.431 4.488 -1.823 231 HG2 ARG 36 1HG ARG 36 -6.110 6.458 -2.391 232 HG3 ARG 36 2HG ARG 36 -4.731 7.434 -1.879 233 HD2 ARG 36 1HD ARG 36 -4.230 7.212 -4.092 234 HD3 ARG 36 2HD ARG 36 -3.426 5.772 -3.468 235 HE ARG 36 HE ARG 36 -6.082 5.146 -4.168 236 HH11 ARG 36 2HH1 ARG 36 -3.016 5.938 -5.616 237 HH12 ARG 36 1HH1 ARG 36 -3.332 5.061 -7.076 238 HH21 ARG 36 2HH2 ARG 36 -6.509 3.988 -6.086 239 HH22 ARG 36 1HH2 ARG 36 -5.319 3.953 -7.343 240 H GLN 37 H GLN 37 -6.783 3.134 -1.426 241 HA GLN 37 HA GLN 37 -6.362 1.207 0.692 242 HB2 GLN 37 1HB GLN 37 -7.545 0.769 -2.053 243 HB3 GLN 37 2HB GLN 37 -7.671 -0.307 -0.668 244 HG2 GLN 37 1HG GLN 37 -9.736 0.883 -0.955 245 HG3 GLN 37 2HG GLN 37 -8.950 1.418 0.529 246 HE21 GLN 37 1HE2 GLN 37 -9.049 3.511 0.846 247 HE22 GLN 37 2HE2 GLN 37 -9.089 4.732 -0.375 248 H VAL 38 H VAL 38 -4.744 -0.209 0.814 249 HA VAL 38 HA VAL 38 -3.198 -0.816 -1.611 250 HB VAL 38 HB VAL 38 -1.990 -0.143 1.076 251 HG11 VAL 38 1HG1 VAL 38 -0.510 -0.685 -1.481 252 HG12 VAL 38 2HG1 VAL 38 0.125 -0.603 0.164 253 HG13 VAL 38 3HG1 VAL 38 -0.887 -1.963 -0.326 254 HG21 VAL 38 1HG2 VAL 38 -2.702 1.865 -0.019 255 HG22 VAL 38 2HG2 VAL 38 -0.950 1.741 -0.186 256 HG23 VAL 38 3HG2 VAL 38 -1.996 1.341 -1.548 257 H SER 39 H SER 39 -3.504 -2.922 -1.923 258 HA SER 39 HA SER 39 -3.977 -4.728 0.279 259 HB2 SER 39 1HB SER 39 -5.118 -4.876 -1.983 260 HB3 SER 39 2HB SER 39 -3.584 -5.463 -2.626 261 HG SER 39 HG SER 39 -3.782 -7.290 -1.482 262 H ARG 40 H ARG 40 -2.721 -6.621 0.711 263 HA ARG 40 HA ARG 40 -0.018 -6.191 1.076 264 HB2 ARG 40 1HB ARG 40 -1.457 -8.835 0.797 265 HB3 ARG 40 2HB ARG 40 0.157 -8.631 1.464 266 HG2 ARG 40 1HG ARG 40 -2.055 -7.064 2.671 267 HG3 ARG 40 2HG ARG 40 -1.978 -8.796 3.002 268 HD2 ARG 40 1HD ARG 40 0.394 -6.983 3.349 269 HD3 ARG 40 2HD ARG 40 -0.785 -7.245 4.633 270 HE ARG 40 HE ARG 40 0.029 -9.748 3.761 271 HH11 ARG 40 2HH1 ARG 40 1.450 -6.943 5.256 272 HH12 ARG 40 1HH1 ARG 40 2.667 -7.846 6.096 273 HH21 ARG 40 2HH2 ARG 40 1.626 -10.947 4.862 274 HH22 ARG 40 1HH2 ARG 40 2.767 -10.123 5.870 275 H GLY 41 H GLY 41 -1.647 -7.882 -1.581 276 HA2 GLY 41 1HA GLY 41 -0.859 -8.648 -3.603 277 HA3 GLY 41 2HA GLY 41 0.076 -7.160 -3.591 278 HA PRO 42 HA PRO 42 2.935 -10.864 -3.615 279 HB2 PRO 42 1HB PRO 42 4.302 -10.138 -5.845 280 HB3 PRO 42 2HB PRO 42 2.832 -11.117 -5.896 281 HG2 PRO 42 1HG PRO 42 3.170 -8.180 -6.369 282 HG3 PRO 42 2HG PRO 42 2.193 -9.353 -7.271 283 HD2 PRO 42 1HD PRO 42 1.124 -7.671 -5.438 284 HD3 PRO 42 2HD PRO 42 0.478 -9.298 -5.732 285 H GLY 43 H GLY 43 5.192 -10.852 -3.176 286 HA2 GLY 43 1HA GLY 43 7.099 -10.009 -2.216 287 HA3 GLY 43 2HA GLY 43 6.877 -8.630 -3.282 288 H VAL 44 H VAL 44 5.359 -9.955 -0.336 289 HA VAL 44 HA VAL 44 5.436 -7.230 0.789 290 HB VAL 44 HB VAL 44 3.133 -7.848 0.311 291 HG11 VAL 44 1HG1 VAL 44 2.145 -9.826 0.850 292 HG12 VAL 44 2HG1 VAL 44 3.808 -10.392 0.691 293 HG13 VAL 44 3HG1 VAL 44 3.138 -10.059 2.288 294 HG21 VAL 44 1HG2 VAL 44 4.019 -6.794 2.609 295 HG22 VAL 44 2HG2 VAL 44 2.307 -7.036 2.259 296 HG23 VAL 44 3HG2 VAL 44 3.180 -8.210 3.245 297 H ASN 45 H ASN 45 5.681 -10.687 1.420 298 HA ASN 45 HA ASN 45 6.447 -10.271 4.181 299 HB2 ASN 45 1HB ASN 45 6.786 -12.775 4.140 300 HB3 ASN 45 2HB ASN 45 5.152 -12.235 3.762 301 HD21 ASN 45 1HD2 ASN 45 4.294 -12.672 1.802 302 HD22 ASN 45 2HD2 ASN 45 5.098 -13.585 0.575 303 H VAL 46 H VAL 46 7.977 -11.097 1.120 304 HA VAL 46 HA VAL 46 10.420 -12.003 1.691 305 HB VAL 46 HB VAL 46 9.784 -11.355 -0.572 306 HG11 VAL 46 1HG1 VAL 46 8.866 -9.078 0.338 307 HG12 VAL 46 2HG1 VAL 46 10.493 -8.508 -0.039 308 HG13 VAL 46 3HG1 VAL 46 9.483 -9.200 -1.309 309 HG21 VAL 46 1HG2 VAL 46 12.098 -11.742 -0.306 310 HG22 VAL 46 2HG2 VAL 46 11.968 -10.250 -1.237 311 HG23 VAL 46 3HG2 VAL 46 12.346 -10.185 0.484 312 H GLY 47 H GLY 47 9.452 -8.610 2.114 313 HA2 GLY 47 1HA GLY 47 10.886 -8.132 4.424 314 HA3 GLY 47 2HA GLY 47 11.991 -7.768 3.106 315 H THR 48 H THR 48 10.624 -6.489 1.268 316 HA THR 48 HA THR 48 9.978 -3.985 2.545 317 HB THR 48 HB THR 48 9.815 -4.624 -0.402 318 HG1 THR 48 1HG THR 48 11.919 -5.068 0.580 319 HG21 THR 48 1HG2 THR 48 10.667 -2.024 -0.068 320 HG22 THR 48 2HG2 THR 48 9.480 -2.225 1.221 321 HG23 THR 48 3HG2 THR 48 9.023 -2.529 -0.454 322 H THR 49 H THR 49 8.035 -4.324 3.624 323 HA THR 49 HA THR 49 5.756 -5.578 2.772 324 HB THR 49 HB THR 49 5.610 -2.945 4.227 325 HG1 THR 49 1HG THR 49 6.977 -5.186 4.946 326 HG21 THR 49 1HG2 THR 49 4.025 -4.980 5.383 327 HG22 THR 49 2HG2 THR 49 3.777 -5.059 3.639 328 HG23 THR 49 3HG2 THR 49 3.485 -3.550 4.504 329 H ALA 50 H ALA 50 4.317 -5.283 1.200 330 HA ALA 50 HA ALA 50 4.502 -3.734 -0.965 331 HB1 ALA 50 1HB ALA 50 2.399 -4.368 -1.491 332 HB2 ALA 50 2HB ALA 50 2.591 -5.392 -0.067 333 HB3 ALA 50 3HB ALA 50 1.738 -3.854 0.061 334 H LEU 51 H LEU 51 3.226 -2.661 2.137 335 HA LEU 51 HA LEU 51 2.168 -0.200 1.385 336 HB2 LEU 51 1HB LEU 51 3.633 -0.704 3.962 337 HB3 LEU 51 2HB LEU 51 2.321 0.435 3.669 338 HG LEU 51 HG LEU 51 2.011 -2.563 3.580 339 HD11 LEU 51 1HD1 LEU 51 0.665 -1.922 5.755 340 HD12 LEU 51 2HD1 LEU 51 1.844 -0.612 5.815 341 HD13 LEU 51 3HD1 LEU 51 2.390 -2.289 5.812 342 HD21 LEU 51 1HD2 LEU 51 0.172 -0.235 3.265 343 HD22 LEU 51 2HD2 LEU 51 -0.434 -1.731 3.976 344 HD23 LEU 51 3HD2 LEU 51 0.250 -1.740 2.349 345 H TRP 52 H TRP 52 5.471 -1.001 2.423 346 HA TRP 52 HA TRP 52 6.619 1.488 2.449 347 HB2 TRP 52 1HB TRP 52 7.722 -1.186 1.611 348 HB3 TRP 52 2HB TRP 52 8.727 0.261 1.623 349 HD1 TRP 52 HD TRP 52 7.517 -2.462 3.837 350 HE1 TRP 52 1HE TRP 52 8.206 -2.003 6.274 351 HE3 TRP 52 3HE TRP 52 8.999 2.407 3.358 352 HZ2 TRP 52 2HZ TRP 52 9.240 0.140 7.793 353 HZ3 TRP 52 3HZ TRP 52 9.825 3.590 5.351 354 HH2 TRP 52 HH TRP 52 9.941 2.478 7.522 355 H LYS 53 H LYS 53 6.123 -0.610 -0.370 356 HA LYS 53 HA LYS 53 7.398 0.918 -2.298 357 HB2 LYS 53 1HB LYS 53 5.123 -1.017 -2.350 358 HB3 LYS 53 2HB LYS 53 5.464 -0.083 -3.800 359 HG2 LYS 53 1HG LYS 53 7.574 -1.044 -4.067 360 HG3 LYS 53 2HG LYS 53 7.614 -1.634 -2.404 361 HD2 LYS 53 1HD LYS 53 5.774 -3.189 -2.946 362 HD3 LYS 53 2HD LYS 53 5.824 -2.632 -4.620 363 HE2 LYS 53 1HE LYS 53 7.142 -4.499 -4.766 364 HE3 LYS 53 2HE LYS 53 8.363 -3.276 -4.417 365 HZ1 LYS 53 1HZ LYS 53 7.138 -5.177 -2.497 366 HZ2 LYS 53 2HZ LYS 53 8.144 -3.897 -2.039 367 HZ3 LYS 53 3HZ LYS 53 8.749 -5.140 -3.013 368 H HIS 54 H HIS 54 4.209 1.303 -0.876 369 HA HIS 54 HA HIS 54 3.407 3.369 -2.710 370 HB2 HIS 54 1HB HIS 54 1.725 1.929 -1.679 371 HB3 HIS 54 2HB HIS 54 2.206 2.482 -0.078 372 HD1 HIS 54 1HD HIS 54 0.849 4.013 -3.290 373 HD2 HIS 54 2HD HIS 54 0.689 4.525 0.830 374 HE1 HIS 54 1HE HIS 54 -0.786 5.885 -2.908 375 H LEU 55 H LEU 55 4.564 3.231 0.634 376 HA LEU 55 HA LEU 55 4.311 5.956 1.235 377 HB2 LEU 55 1HB LEU 55 6.252 3.895 2.265 378 HB3 LEU 55 2HB LEU 55 6.064 5.506 2.954 379 HG LEU 55 HG LEU 55 3.757 3.590 2.785 380 HD11 LEU 55 1HD1 LEU 55 4.951 3.745 5.402 381 HD12 LEU 55 2HD1 LEU 55 6.092 3.095 4.224 382 HD13 LEU 55 3HD1 LEU 55 4.519 2.329 4.444 383 HD21 LEU 55 1HD2 LEU 55 3.637 6.149 3.300 384 HD22 LEU 55 2HD2 LEU 55 4.214 5.655 4.892 385 HD23 LEU 55 3HD2 LEU 55 2.700 5.005 4.260 386 H LYS 56 H LYS 56 7.074 4.129 -0.051 387 HA LYS 56 HA LYS 56 8.712 6.470 -0.316 388 HB2 LYS 56 1HB LYS 56 9.124 3.778 -1.621 389 HB3 LYS 56 2HB LYS 56 10.340 5.011 -1.315 390 HG2 LYS 56 1HG LYS 56 10.538 4.473 0.884 391 HG3 LYS 56 2HG LYS 56 8.864 3.930 1.017 392 HD2 LYS 56 1HD LYS 56 10.043 1.942 1.163 393 HD3 LYS 56 2HD LYS 56 9.630 2.009 -0.552 394 HE2 LYS 56 1HE LYS 56 12.193 3.235 0.319 395 HE3 LYS 56 2HE LYS 56 12.089 1.476 0.286 396 HZ1 LYS 56 1HZ LYS 56 11.524 1.535 -2.019 397 HZ2 LYS 56 2HZ LYS 56 12.917 2.469 -1.804 398 HZ3 LYS 56 3HZ LYS 56 11.418 3.224 -2.017 399 H SER 57 H SER 57 6.146 5.245 -2.075 400 HA SER 57 HA SER 57 7.079 6.057 -4.689 401 HB2 SER 57 1HB SER 57 5.610 4.200 -4.730 402 HB3 SER 57 2HB SER 57 4.458 4.985 -3.650 403 HG SER 57 HG SER 57 4.765 5.217 -6.376 404 H MET 58 H MET 58 4.841 7.244 -2.225 405 HA MET 58 HA MET 58 4.782 9.825 -3.643 406 HB2 MET 58 1HB MET 58 2.499 10.164 -3.007 407 HB3 MET 58 2HB MET 58 2.610 8.585 -3.774 408 HG2 MET 58 1HG MET 58 2.308 7.450 -1.778 409 HG3 MET 58 2HG MET 58 2.779 8.840 -0.803 410 HE1 MET 58 1HE MET 58 -0.194 7.784 -3.435 411 HE2 MET 58 2HE MET 58 -1.009 9.342 -3.297 412 HE3 MET 58 3HE MET 58 0.663 9.268 -3.856 413 H HIS 59 H HIS 59 4.814 8.115 -0.583 414 HA HIS 59 HA HIS 59 5.086 10.612 0.904 415 HB2 HIS 59 1HB HIS 59 4.987 7.759 1.905 416 HB3 HIS 59 2HB HIS 59 4.950 9.207 2.907 417 HD1 HIS 59 1HD HIS 59 2.776 10.781 2.509 418 HD2 HIS 59 2HD HIS 59 2.541 6.878 1.107 419 HE1 HIS 59 1HE HIS 59 0.325 10.337 2.164 420 H ARG 60 H ARG 60 7.162 9.562 -0.959 421 HA ARG 60 HA ARG 60 9.338 8.449 0.357 422 HB2 ARG 60 1HB ARG 60 9.367 8.630 -2.028 423 HB3 ARG 60 2HB ARG 60 9.217 10.381 -1.957 424 HG2 ARG 60 1HG ARG 60 11.438 10.597 -1.082 425 HG3 ARG 60 2HG ARG 60 11.593 8.845 -0.931 426 HD2 ARG 60 1HD ARG 60 10.949 9.990 -3.601 427 HD3 ARG 60 2HD ARG 60 12.596 10.154 -2.995 428 HE ARG 60 HE ARG 60 11.652 7.478 -2.764 429 HH11 ARG 60 2HH1 ARG 60 12.931 9.802 -5.019 430 HH12 ARG 60 1HH1 ARG 60 13.601 8.603 -6.075 431 HH21 ARG 60 2HH2 ARG 60 12.529 5.890 -4.146 432 HH22 ARG 60 1HH2 ARG 60 13.371 6.378 -5.578 433 H GLU 61 H GLU 61 8.230 11.780 0.244 434 HA GLU 61 HA GLU 61 10.561 12.872 1.494 435 HB2 GLU 61 1HB GLU 61 7.783 14.006 1.128 436 HB3 GLU 61 2HB GLU 61 9.154 14.913 1.753 437 HG2 GLU 61 1HG GLU 61 10.291 14.805 -0.312 438 HG3 GLU 61 2HG GLU 61 9.179 13.591 -0.942 439 H GLU 62 H GLU 62 7.372 11.836 2.599 440 HA GLU 62 HA GLU 62 7.538 12.772 5.235 441 HB2 GLU 62 1HB GLU 62 5.418 12.058 4.430 442 HB3 GLU 62 2HB GLU 62 6.036 10.469 4.002 443 HG2 GLU 62 1HG GLU 62 4.890 10.001 5.924 444 HG3 GLU 62 2HG GLU 62 6.514 10.274 6.554 445 H LEU 63 H LEU 63 8.328 9.566 3.903 446 HA LEU 63 HA LEU 63 9.151 8.336 6.247 447 HB2 LEU 63 1HB LEU 63 10.339 7.948 3.504 448 HB3 LEU 63 2HB LEU 63 10.412 6.809 4.848 449 HG LEU 63 HG LEU 63 7.896 7.636 3.399 450 HD11 LEU 63 1HD1 LEU 63 7.953 5.546 2.300 451 HD12 LEU 63 2HD1 LEU 63 9.300 4.979 3.286 452 HD13 LEU 63 3HD1 LEU 63 9.555 6.253 2.093 453 HD21 LEU 63 1HD2 LEU 63 8.464 5.880 5.743 454 HD22 LEU 63 2HD2 LEU 63 7.145 5.464 4.647 455 HD23 LEU 63 3HD2 LEU 63 7.142 7.018 5.481 456 H GLU 64 H GLU 64 11.289 9.835 3.809 457 HA GLU 64 HA GLU 64 13.657 9.679 5.223 458 HB2 GLU 64 1HB GLU 64 12.773 11.869 3.334 459 HB3 GLU 64 2HB GLU 64 14.431 11.575 3.838 460 HG2 GLU 64 1HG GLU 64 14.385 9.388 2.780 461 HG3 GLU 64 2HG GLU 64 12.706 9.642 2.306 462 H LYS 65 H LYS 65 11.179 12.204 5.330 463 HA LYS 65 HA LYS 65 12.479 14.054 6.940 464 HB2 LYS 65 1HB LYS 65 10.195 14.218 5.766 465 HB3 LYS 65 2HB LYS 65 9.541 13.453 7.208 466 HG2 LYS 65 1HG LYS 65 10.323 15.280 8.580 467 HG3 LYS 65 2HG LYS 65 11.100 16.029 7.183 468 HD2 LYS 65 1HD LYS 65 8.143 15.474 7.342 469 HD3 LYS 65 2HD LYS 65 8.874 17.006 7.828 470 HE2 LYS 65 1HE LYS 65 9.885 17.101 5.510 471 HE3 LYS 65 2HE LYS 65 8.831 15.751 5.092 472 HZ1 LYS 65 1HZ LYS 65 7.130 17.506 6.239 473 HZ2 LYS 65 2HZ LYS 65 7.367 17.334 4.573 474 HZ3 LYS 65 3HZ LYS 65 8.196 18.538 5.426 475 H SER 66 H SER 66 10.585 11.208 7.863 476 HA SER 66 HA SER 66 11.019 11.701 10.684 477 HB2 SER 66 1HB SER 66 9.495 9.684 9.085 478 HB3 SER 66 2HB SER 66 9.911 9.306 10.756 479 HG SER 66 HG SER 66 8.863 11.824 10.365 480 H GLY 67 H GLY 67 13.397 11.385 9.155 481 HA2 GLY 67 1HA GLY 67 15.313 10.089 8.981 482 HA3 GLY 67 2HA GLY 67 15.041 9.932 10.710 483 H HIS 68 H HIS 68 14.145 8.488 7.593 484 HA HIS 68 HA HIS 68 14.142 5.864 8.927 485 HB2 HIS 68 1HB HIS 68 12.088 7.091 7.159 486 HB3 HIS 68 2HB HIS 68 12.412 5.373 6.947 487 HD1 HIS 68 1HD HIS 68 12.368 4.042 9.429 488 HD2 HIS 68 2HD HIS 68 10.156 7.531 8.985 489 HE1 HIS 68 1HE HIS 68 10.642 3.982 11.258 490 H GLY 69 H GLY 69 14.421 7.568 5.819 491 HA2 GLY 69 1HA GLY 69 15.446 6.902 3.847 492 HA3 GLY 69 2HA GLY 69 16.798 6.666 4.945 493 H GLN 70 H GLN 70 17.504 4.635 5.376 494 HA GLN 70 HA GLN 70 16.527 2.528 3.676 495 HB2 GLN 70 1HB GLN 70 18.406 1.258 4.438 496 HB3 GLN 70 2HB GLN 70 18.953 2.908 4.170 497 HG2 GLN 70 1HG GLN 70 18.176 1.836 6.868 498 HG3 GLN 70 2HG GLN 70 19.823 1.808 6.240 499 HE21 GLN 70 1HE2 GLN 70 20.923 3.765 5.939 500 HE22 GLN 70 2HE2 GLN 70 20.429 5.213 6.740 501 H SER 71 H SER 71 15.299 0.814 4.213 502 HA SER 71 HA SER 71 14.025 0.842 6.818 503 HB2 SER 71 1HB SER 71 12.539 -0.875 5.865 504 HB3 SER 71 2HB SER 71 12.646 0.533 4.809 505 HG SER 71 HG SER 71 12.846 -1.533 3.728 506 H GLY 72 H GLY 72 16.166 -1.236 4.938 507 HA2 GLY 72 1HA GLY 72 16.811 -2.679 7.414 508 HA3 GLY 72 2HA GLY 72 16.342 -3.606 5.997 509 HA PRO 73 HA PRO 73 20.969 -2.299 6.064 510 HB2 PRO 73 1HB PRO 73 22.077 -4.431 7.329 511 HB3 PRO 73 2HB PRO 73 21.573 -2.965 8.179 512 HG2 PRO 73 1HG PRO 73 20.145 -5.581 7.904 513 HG3 PRO 73 2HG PRO 73 20.330 -4.553 9.337 514 HD2 PRO 73 1HD PRO 73 18.069 -4.582 7.847 515 HD3 PRO 73 2HD PRO 73 18.642 -3.125 8.685 516 H SER 74 H SER 74 18.958 -4.818 5.108 517 HA SER 74 HA SER 74 20.889 -6.430 3.734 518 HB2 SER 74 1HB SER 74 17.904 -6.322 3.259 519 HB3 SER 74 2HB SER 74 19.001 -7.642 2.856 520 HG SER 74 HG SER 74 19.417 -7.467 5.312 521 H SER 75 H SER 75 21.752 -6.112 1.792 522 HA SER 75 HA SER 75 21.333 -3.742 0.335 523 HB2 SER 75 1HB SER 75 22.607 -6.315 -0.628 524 HB3 SER 75 2HB SER 75 22.816 -4.716 -1.343 525 HG SER 75 HG SER 75 24.214 -5.807 0.609 526 H GLY 76 H GLY 76 20.297 -7.086 -0.295 527 HA2 GLY 76 1HA GLY 76 17.810 -6.768 -1.194 528 HA3 GLY 76 2HA GLY 76 18.727 -6.214 -2.587 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.267 -18.830 16.195 2 HA2 GLY 1 1HA GLY 1 12.009 -19.980 14.584 3 HA3 GLY 1 2HA GLY 1 10.764 -18.942 13.905 4 H SER 2 H SER 2 13.409 -19.477 12.856 5 HA SER 2 HA SER 2 14.984 -17.106 13.330 6 HB2 SER 2 1HB SER 2 15.853 -19.470 12.734 7 HB3 SER 2 2HB SER 2 15.436 -19.046 11.073 8 HG SER 2 HG SER 2 17.643 -18.462 12.292 9 H SER 3 H SER 3 12.454 -16.388 12.497 10 HA SER 3 HA SER 3 12.382 -15.897 9.675 11 HB2 SER 3 1HB SER 3 10.334 -16.146 11.079 12 HB3 SER 3 2HB SER 3 10.721 -14.610 11.854 13 HG SER 3 HG SER 3 10.273 -14.979 9.074 14 H GLY 4 H GLY 4 12.801 -13.799 12.529 15 HA2 GLY 4 1HA GLY 4 13.603 -11.643 12.696 16 HA3 GLY 4 2HA GLY 4 14.881 -12.268 11.664 17 H SER 5 H SER 5 11.759 -10.640 11.684 18 HA SER 5 HA SER 5 12.447 -9.478 9.068 19 HB2 SER 5 1HB SER 5 9.754 -10.488 9.996 20 HB3 SER 5 2HB SER 5 9.962 -9.439 8.594 21 HG SER 5 HG SER 5 11.286 -11.052 7.675 22 H SER 6 H SER 6 13.085 -7.489 9.695 23 HA SER 6 HA SER 6 11.351 -5.979 11.525 24 HB2 SER 6 1HB SER 6 13.268 -4.473 11.830 25 HB3 SER 6 2HB SER 6 13.716 -6.141 12.186 26 HG SER 6 HG SER 6 14.283 -5.991 9.731 27 H GLY 7 H GLY 7 9.788 -5.599 9.829 28 HA2 GLY 7 1HA GLY 7 10.300 -3.122 8.461 29 HA3 GLY 7 2HA GLY 7 10.152 -4.488 7.365 30 H SER 8 H SER 8 8.391 -3.991 10.385 31 HA SER 8 HA SER 8 5.893 -4.118 8.853 32 HB2 SER 8 1HB SER 8 4.824 -4.761 10.948 33 HB3 SER 8 2HB SER 8 6.226 -5.790 10.656 34 HG SER 8 HG SER 8 7.382 -4.586 12.153 35 H GLU 9 H GLU 9 7.885 -1.909 10.409 36 HA GLU 9 HA GLU 9 6.259 -0.157 11.744 37 HB2 GLU 9 1HB GLU 9 8.818 -0.068 11.152 38 HB3 GLU 9 2HB GLU 9 8.271 0.946 9.824 39 HG2 GLU 9 1HG GLU 9 8.842 2.433 11.529 40 HG3 GLU 9 2HG GLU 9 7.083 2.343 11.576 41 H ALA 10 H ALA 10 6.553 -0.615 8.278 42 HA ALA 10 HA ALA 10 5.319 1.637 7.290 43 HB1 ALA 10 1HB ALA 10 4.411 -0.772 5.936 44 HB2 ALA 10 2HB ALA 10 5.408 0.555 5.341 45 HB3 ALA 10 3HB ALA 10 6.148 -0.768 6.241 46 H TRP 11 H TRP 11 3.859 -1.175 8.808 47 HA TRP 11 HA TRP 11 1.202 -0.830 8.125 48 HB2 TRP 11 1HB TRP 11 2.609 -2.005 10.478 49 HB3 TRP 11 2HB TRP 11 0.871 -1.745 10.599 50 HD1 TRP 11 HD TRP 11 3.218 -4.334 9.642 51 HE1 TRP 11 1HE TRP 11 2.110 -6.117 8.153 52 HE3 TRP 11 3HE TRP 11 -1.039 -1.802 8.373 53 HZ2 TRP 11 2HZ TRP 11 -0.255 -6.411 6.640 54 HZ3 TRP 11 3HZ TRP 11 -2.673 -2.905 6.901 55 HH2 TRP 11 HH TRP 11 -2.287 -5.162 6.053 56 H GLU 12 H GLU 12 3.152 0.945 10.419 57 HA GLU 12 HA GLU 12 1.164 2.191 11.917 58 HB2 GLU 12 1HB GLU 12 3.821 3.344 11.048 59 HB3 GLU 12 2HB GLU 12 2.826 3.944 12.367 60 HG2 GLU 12 1HG GLU 12 4.069 1.206 12.240 61 HG3 GLU 12 2HG GLU 12 4.711 2.578 13.141 62 H TYR 13 H TYR 13 1.927 2.542 8.621 63 HA TYR 13 HA TYR 13 0.478 5.098 8.470 64 HB2 TYR 13 1HB TYR 13 2.179 3.843 6.312 65 HB3 TYR 13 2HB TYR 13 1.545 5.485 6.354 66 HD1 TYR 13 2HD TYR 13 4.083 3.205 7.706 67 HD2 TYR 13 1HD TYR 13 2.610 7.196 7.686 68 HE1 TYR 13 2HE TYR 13 6.154 3.969 8.790 69 HE2 TYR 13 1HE TYR 13 4.677 7.972 8.768 70 HH TYR 13 HH TYR 13 7.049 7.202 8.971 71 H PHE 14 H PHE 14 -0.523 2.219 8.639 72 HA PHE 14 HA PHE 14 -2.575 2.533 6.614 73 HB2 PHE 14 1HB PHE 14 -0.796 0.089 6.717 74 HB3 PHE 14 2HB PHE 14 -2.302 0.183 5.811 75 HD1 PHE 14 1HD PHE 14 1.105 1.579 6.089 76 HD2 PHE 14 2HD PHE 14 -2.387 1.193 3.687 77 HE1 PHE 14 1HE PHE 14 2.327 2.516 4.169 78 HE2 PHE 14 2HE PHE 14 -1.171 2.129 1.763 79 HZ PHE 14 HZ PHE 14 1.189 2.791 2.002 80 H HIS 15 H HIS 15 -4.458 1.286 7.022 81 HA HIS 15 HA HIS 15 -4.525 -0.157 9.573 82 HB2 HIS 15 1HB HIS 15 -6.148 1.140 10.530 83 HB3 HIS 15 2HB HIS 15 -5.356 2.379 9.560 84 HD1 HIS 15 1HD HIS 15 -8.166 -0.130 8.957 85 HD2 HIS 15 2HD HIS 15 -7.183 3.840 8.230 86 HE1 HIS 15 1HE HIS 15 -10.145 0.842 7.749 87 H LEU 16 H LEU 16 -5.608 -2.018 9.450 88 HA LEU 16 HA LEU 16 -6.659 -2.947 7.004 89 HB2 LEU 16 1HB LEU 16 -6.929 -4.013 9.808 90 HB3 LEU 16 2HB LEU 16 -7.479 -4.871 8.370 91 HG LEU 16 HG LEU 16 -4.614 -4.096 8.913 92 HD11 LEU 16 1HD1 LEU 16 -4.725 -6.816 8.981 93 HD12 LEU 16 2HD1 LEU 16 -6.230 -6.375 9.786 94 HD13 LEU 16 3HD1 LEU 16 -4.691 -5.768 10.399 95 HD21 LEU 16 1HD2 LEU 16 -4.704 -4.332 6.633 96 HD22 LEU 16 2HD2 LEU 16 -6.029 -5.495 6.693 97 HD23 LEU 16 3HD2 LEU 16 -4.393 -5.998 7.121 98 H ALA 17 H ALA 17 -8.730 -3.203 6.270 99 HA ALA 17 HA ALA 17 -10.760 -1.588 7.615 100 HB1 ALA 17 1HB ALA 17 -11.917 -2.402 5.288 101 HB2 ALA 17 2HB ALA 17 -10.982 -0.919 5.487 102 HB3 ALA 17 3HB ALA 17 -10.209 -2.368 4.847 103 HA PRO 18 HA PRO 18 -12.978 -5.062 9.158 104 HB2 PRO 18 1HB PRO 18 -15.455 -3.963 9.326 105 HB3 PRO 18 2HB PRO 18 -14.146 -3.558 10.443 106 HG2 PRO 18 1HG PRO 18 -15.118 -2.060 8.040 107 HG3 PRO 18 2HG PRO 18 -14.663 -1.438 9.637 108 HD2 PRO 18 1HD PRO 18 -13.006 -1.314 7.499 109 HD3 PRO 18 2HD PRO 18 -12.409 -1.506 9.160 110 H ALA 19 H ALA 19 -14.520 -6.639 8.566 111 HA ALA 19 HA ALA 19 -14.839 -6.992 5.757 112 HB1 ALA 19 1HB ALA 19 -15.698 -9.106 6.252 113 HB2 ALA 19 2HB ALA 19 -14.556 -8.792 7.560 114 HB3 ALA 19 3HB ALA 19 -16.287 -8.599 7.835 115 H ARG 20 H ARG 20 -16.140 -5.469 4.831 116 HA ARG 20 HA ARG 20 -18.887 -5.237 5.865 117 HB2 ARG 20 1HB ARG 20 -17.203 -3.335 4.238 118 HB3 ARG 20 2HB ARG 20 -18.936 -3.127 4.451 119 HG2 ARG 20 1HG ARG 20 -18.683 -2.853 6.812 120 HG3 ARG 20 2HG ARG 20 -16.973 -3.282 6.725 121 HD2 ARG 20 1HD ARG 20 -18.248 -0.869 5.439 122 HD3 ARG 20 2HD ARG 20 -17.312 -0.858 6.933 123 HE ARG 20 HE ARG 20 -15.923 -1.946 4.649 124 HH11 ARG 20 2HH1 ARG 20 -16.655 0.908 6.505 125 HH12 ARG 20 1HH1 ARG 20 -15.260 1.778 5.960 126 HH21 ARG 20 2HH2 ARG 20 -14.083 -0.810 3.925 127 HH22 ARG 20 1HH2 ARG 20 -13.798 0.800 4.491 128 H ALA 21 H ALA 21 -17.053 -5.291 2.811 129 HA ALA 21 HA ALA 21 -19.113 -5.529 1.013 130 HB1 ALA 21 1HB ALA 21 -17.036 -5.306 0.034 131 HB2 ALA 21 2HB ALA 21 -16.315 -6.576 1.024 132 HB3 ALA 21 3HB ALA 21 -17.408 -6.999 -0.294 133 H GLY 22 H GLY 22 -17.376 -8.252 2.542 134 HA2 GLY 22 1HA GLY 22 -19.435 -9.828 3.299 135 HA3 GLY 22 2HA GLY 22 -19.343 -10.138 1.571 136 H HIS 23 H HIS 23 -16.424 -9.796 1.518 137 HA HIS 23 HA HIS 23 -15.733 -12.505 2.188 138 HB2 HIS 23 1HB HIS 23 -14.104 -10.231 1.041 139 HB3 HIS 23 2HB HIS 23 -13.489 -11.865 1.270 140 HD1 HIS 23 1HD HIS 23 -16.480 -10.274 -0.480 141 HD2 HIS 23 2HD HIS 23 -13.714 -13.334 -0.978 142 HE1 HIS 23 1HE HIS 23 -17.001 -11.293 -2.719 143 H HIS 24 H HIS 24 -14.010 -13.151 3.571 144 HA HIS 24 HA HIS 24 -14.042 -12.355 6.133 145 HB2 HIS 24 1HB HIS 24 -12.159 -13.623 6.479 146 HB3 HIS 24 2HB HIS 24 -12.599 -14.186 4.870 147 HD1 HIS 24 1HD HIS 24 -9.782 -13.016 6.708 148 HD2 HIS 24 2HD HIS 24 -11.117 -12.561 2.800 149 HE1 HIS 24 1HE HIS 24 -7.764 -12.304 5.386 150 HA PRO 25 HA PRO 25 -12.302 -8.356 6.617 151 HB2 PRO 25 1HB PRO 25 -11.087 -8.585 9.034 152 HB3 PRO 25 2HB PRO 25 -12.843 -8.516 8.844 153 HG2 PRO 25 1HG PRO 25 -11.073 -10.897 9.238 154 HG3 PRO 25 2HG PRO 25 -12.638 -10.530 9.987 155 HD2 PRO 25 1HD PRO 25 -12.384 -12.245 7.907 156 HD3 PRO 25 2HD PRO 25 -13.827 -11.239 8.144 157 H ASN 26 H ASN 26 -10.239 -7.178 7.042 158 HA ASN 26 HA ASN 26 -7.998 -6.822 6.771 159 HB2 ASN 26 1HB ASN 26 -7.858 -9.035 8.113 160 HB3 ASN 26 2HB ASN 26 -7.523 -9.784 6.555 161 HD21 ASN 26 1HD2 ASN 26 -5.871 -9.405 8.988 162 HD22 ASN 26 2HD2 ASN 26 -4.430 -8.628 8.437 163 H GLN 27 H GLN 27 -9.889 -7.029 4.598 164 HA GLN 27 HA GLN 27 -8.811 -8.423 2.395 165 HB2 GLN 27 1HB GLN 27 -11.141 -7.578 2.517 166 HB3 GLN 27 2HB GLN 27 -10.529 -5.936 2.369 167 HG2 GLN 27 1HG GLN 27 -9.923 -6.218 0.157 168 HG3 GLN 27 2HG GLN 27 -9.870 -7.975 0.291 169 HE21 GLN 27 1HE2 GLN 27 -12.269 -5.429 0.914 170 HE22 GLN 27 2HE2 GLN 27 -13.550 -6.186 0.036 171 H TYR 28 H TYR 28 -8.948 -4.879 2.707 172 HA TYR 28 HA TYR 28 -6.258 -4.769 1.507 173 HB2 TYR 28 1HB TYR 28 -8.746 -3.258 0.890 174 HB3 TYR 28 2HB TYR 28 -7.223 -2.382 0.795 175 HD1 TYR 28 2HD TYR 28 -7.960 -5.926 -0.084 176 HD2 TYR 28 1HD TYR 28 -6.866 -2.060 -1.485 177 HE1 TYR 28 2HE TYR 28 -7.570 -6.856 -2.327 178 HE2 TYR 28 1HE TYR 28 -6.474 -2.979 -3.733 179 HH TYR 28 HH TYR 28 -6.092 -4.985 -4.861 180 H ALA 29 H ALA 29 -5.027 -2.798 2.030 181 HA ALA 29 HA ALA 29 -5.472 -2.046 4.832 182 HB1 ALA 29 1HB ALA 29 -3.259 -2.124 5.127 183 HB2 ALA 29 2HB ALA 29 -3.215 -2.969 3.579 184 HB3 ALA 29 3HB ALA 29 -2.938 -1.229 3.642 185 H THR 30 H THR 30 -6.029 -0.037 5.376 186 HA THR 30 HA THR 30 -6.225 1.972 3.264 187 HB THR 30 HB THR 30 -7.276 2.211 6.083 188 HG1 THR 30 1HG THR 30 -8.708 0.766 5.526 189 HG21 THR 30 1HG2 THR 30 -8.572 3.979 5.300 190 HG22 THR 30 2HG2 THR 30 -8.413 3.479 3.616 191 HG23 THR 30 3HG2 THR 30 -7.044 4.212 4.452 192 H CYS 31 H CYS 31 -4.499 3.227 3.001 193 HA CYS 31 HA CYS 31 -2.445 3.621 4.848 194 HB2 CYS 31 1HB CYS 31 -2.402 4.065 2.344 195 HB3 CYS 31 2HB CYS 31 -3.204 5.594 2.693 196 H ARG 32 H ARG 32 -2.174 4.933 6.542 197 HA ARG 32 HA ARG 32 -4.386 6.650 7.324 198 HB2 ARG 32 1HB ARG 32 -1.845 5.912 8.788 199 HB3 ARG 32 2HB ARG 32 -3.171 6.848 9.465 200 HG2 ARG 32 1HG ARG 32 -4.532 5.028 9.680 201 HG3 ARG 32 2HG ARG 32 -3.770 4.163 8.343 202 HD2 ARG 32 1HD ARG 32 -1.963 3.488 9.656 203 HD3 ARG 32 2HD ARG 32 -2.275 4.717 10.881 204 HE ARG 32 HE ARG 32 -3.563 2.132 10.629 205 HH11 ARG 32 2HH1 ARG 32 -3.587 5.290 12.094 206 HH12 ARG 32 1HH1 ARG 32 -4.590 4.809 13.423 207 HH21 ARG 32 2HH2 ARG 32 -4.883 1.487 12.374 208 HH22 ARG 32 1HH2 ARG 32 -5.326 2.645 13.581 209 H LEU 33 H LEU 33 -1.803 7.055 5.398 210 HA LEU 33 HA LEU 33 -1.042 9.698 6.377 211 HB2 LEU 33 1HB LEU 33 0.014 7.892 4.227 212 HB3 LEU 33 2HB LEU 33 0.506 9.581 4.338 213 HG LEU 33 HG LEU 33 0.904 7.526 6.512 214 HD11 LEU 33 1HD1 LEU 33 2.227 7.551 4.153 215 HD12 LEU 33 2HD1 LEU 33 2.927 7.016 5.681 216 HD13 LEU 33 3HD1 LEU 33 3.221 8.656 5.103 217 HD21 LEU 33 1HD2 LEU 33 0.875 10.302 6.645 218 HD22 LEU 33 2HD2 LEU 33 2.585 9.878 6.555 219 HD23 LEU 33 3HD2 LEU 33 1.572 9.192 7.826 220 H CYS 34 H CYS 34 -2.392 8.186 3.459 221 HA CYS 34 HA CYS 34 -3.482 10.821 2.713 222 HB2 CYS 34 1HB CYS 34 -3.295 10.160 0.362 223 HB3 CYS 34 2HB CYS 34 -1.722 10.114 1.151 224 H GLY 35 H GLY 35 -3.987 7.334 2.793 225 HA2 GLY 35 1HA GLY 35 -6.147 6.484 3.463 226 HA3 GLY 35 2HA GLY 35 -6.886 7.846 2.634 227 H ARG 36 H ARG 36 -4.270 6.054 1.192 228 HA ARG 36 HA ARG 36 -6.022 5.294 -0.997 229 HB2 ARG 36 1HB ARG 36 -3.065 5.399 -0.579 230 HB3 ARG 36 2HB ARG 36 -3.706 4.358 -1.843 231 HG2 ARG 36 1HG ARG 36 -4.563 7.213 -1.694 232 HG3 ARG 36 2HG ARG 36 -3.001 6.790 -2.398 233 HD2 ARG 36 1HD ARG 36 -4.394 6.776 -4.244 234 HD3 ARG 36 2HD ARG 36 -4.370 5.076 -3.778 235 HE ARG 36 HE ARG 36 -6.595 5.220 -3.236 236 HH11 ARG 36 2HH1 ARG 36 -5.292 8.422 -3.654 237 HH12 ARG 36 1HH1 ARG 36 -6.838 9.201 -3.590 238 HH21 ARG 36 2HH2 ARG 36 -8.636 6.234 -3.150 239 HH22 ARG 36 1HH2 ARG 36 -8.739 7.956 -3.303 240 H GLN 37 H GLN 37 -6.587 3.244 -1.549 241 HA GLN 37 HA GLN 37 -6.359 1.227 0.487 242 HB2 GLN 37 1HB GLN 37 -7.546 0.992 -2.282 243 HB3 GLN 37 2HB GLN 37 -7.808 -0.105 -0.933 244 HG2 GLN 37 1HG GLN 37 -8.524 2.778 -0.662 245 HG3 GLN 37 2HG GLN 37 -9.594 1.679 -1.531 246 HE21 GLN 37 1HE2 GLN 37 -11.086 0.711 -0.367 247 HE22 GLN 37 2HE2 GLN 37 -11.036 0.446 1.340 248 H VAL 38 H VAL 38 -4.670 -0.071 0.689 249 HA VAL 38 HA VAL 38 -3.328 -1.034 -1.747 250 HB VAL 38 HB VAL 38 -1.932 -0.208 0.802 251 HG11 VAL 38 1HG1 VAL 38 -0.506 -1.813 0.090 252 HG12 VAL 38 2HG1 VAL 38 -1.090 -1.750 -1.573 253 HG13 VAL 38 3HG1 VAL 38 0.039 -0.528 -0.987 254 HG21 VAL 38 1HG2 VAL 38 -0.819 1.331 -1.068 255 HG22 VAL 38 2HG2 VAL 38 -2.421 1.155 -1.783 256 HG23 VAL 38 3HG2 VAL 38 -2.248 1.826 -0.162 257 H SER 39 H SER 39 -3.254 -3.175 -1.863 258 HA SER 39 HA SER 39 -3.905 -4.742 0.515 259 HB2 SER 39 1HB SER 39 -4.165 -6.621 -1.125 260 HB3 SER 39 2HB SER 39 -5.235 -5.253 -1.432 261 HG SER 39 HG SER 39 -3.936 -4.625 -3.114 262 H ARG 40 H ARG 40 -2.746 -6.848 0.792 263 HA ARG 40 HA ARG 40 0.114 -6.561 0.142 264 HB2 ARG 40 1HB ARG 40 0.618 -7.621 2.314 265 HB3 ARG 40 2HB ARG 40 -0.229 -6.091 2.498 266 HG2 ARG 40 1HG ARG 40 -2.354 -7.583 2.610 267 HG3 ARG 40 2HG ARG 40 -1.205 -8.865 2.996 268 HD2 ARG 40 1HD ARG 40 -0.338 -7.499 4.851 269 HD3 ARG 40 2HD ARG 40 -1.532 -6.257 4.475 270 HE ARG 40 HE ARG 40 -3.138 -7.529 5.505 271 HH11 ARG 40 2HH1 ARG 40 -0.299 -9.470 4.960 272 HH12 ARG 40 1HH1 ARG 40 -0.871 -10.805 5.903 273 HH21 ARG 40 2HH2 ARG 40 -3.903 -9.281 6.749 274 HH22 ARG 40 1HH2 ARG 40 -2.922 -10.698 6.919 275 H GLY 41 H GLY 41 -2.435 -8.879 1.032 276 HA2 GLY 41 1HA GLY 41 -2.864 -10.989 0.211 277 HA3 GLY 41 2HA GLY 41 -1.657 -10.693 -1.031 278 HA PRO 42 HA PRO 42 -0.052 -13.978 1.827 279 HB2 PRO 42 1HB PRO 42 0.733 -15.656 -0.157 280 HB3 PRO 42 2HB PRO 42 -0.904 -15.656 0.509 281 HG2 PRO 42 1HG PRO 42 0.119 -14.384 -2.000 282 HG3 PRO 42 2HG PRO 42 -1.381 -15.292 -1.737 283 HD2 PRO 42 1HD PRO 42 -1.311 -12.586 -1.817 284 HD3 PRO 42 2HD PRO 42 -2.461 -13.482 -0.804 285 H GLY 43 H GLY 43 2.191 -15.101 1.585 286 HA2 GLY 43 1HA GLY 43 4.451 -14.634 1.772 287 HA3 GLY 43 2HA GLY 43 4.275 -14.332 0.050 288 H VAL 44 H VAL 44 3.795 -12.717 3.187 289 HA VAL 44 HA VAL 44 4.958 -10.289 2.000 290 HB VAL 44 HB VAL 44 2.506 -10.021 2.169 291 HG11 VAL 44 1HG1 VAL 44 2.986 -10.411 5.121 292 HG12 VAL 44 2HG1 VAL 44 1.477 -9.842 4.404 293 HG13 VAL 44 3HG1 VAL 44 2.062 -11.469 4.055 294 HG21 VAL 44 1HG2 VAL 44 4.168 -8.135 2.475 295 HG22 VAL 44 2HG2 VAL 44 2.549 -7.855 3.116 296 HG23 VAL 44 3HG2 VAL 44 3.869 -8.277 4.207 297 H ASN 45 H ASN 45 5.728 -8.734 3.679 298 HA ASN 45 HA ASN 45 6.909 -8.197 5.556 299 HB2 ASN 45 1HB ASN 45 4.941 -9.618 6.617 300 HB3 ASN 45 2HB ASN 45 6.237 -10.774 6.909 301 HD21 ASN 45 1HD2 ASN 45 4.799 -9.542 8.942 302 HD22 ASN 45 2HD2 ASN 45 5.862 -8.506 9.825 303 H VAL 46 H VAL 46 8.130 -9.486 3.385 304 HA VAL 46 HA VAL 46 10.084 -11.285 4.646 305 HB VAL 46 HB VAL 46 9.560 -10.785 1.713 306 HG11 VAL 46 1HG1 VAL 46 11.926 -11.495 2.638 307 HG12 VAL 46 2HG1 VAL 46 11.161 -13.083 2.715 308 HG13 VAL 46 3HG1 VAL 46 11.256 -12.221 1.178 309 HG21 VAL 46 1HG2 VAL 46 8.907 -13.176 3.433 310 HG22 VAL 46 2HG2 VAL 46 7.743 -11.997 2.828 311 HG23 VAL 46 3HG2 VAL 46 8.617 -13.033 1.699 312 H GLY 47 H GLY 47 9.805 -8.362 2.669 313 HA2 GLY 47 1HA GLY 47 12.439 -7.531 3.648 314 HA3 GLY 47 2HA GLY 47 12.196 -7.598 1.909 315 H THR 48 H THR 48 10.389 -6.287 1.038 316 HA THR 48 HA THR 48 10.086 -3.802 2.595 317 HB THR 48 HB THR 48 10.109 -4.094 -0.415 318 HG1 THR 48 1HG THR 48 12.202 -4.227 0.106 319 HG21 THR 48 1HG2 THR 48 8.708 -2.241 0.392 320 HG22 THR 48 2HG2 THR 48 10.148 -1.655 -0.440 321 HG23 THR 48 3HG2 THR 48 10.072 -1.623 1.321 322 H THR 49 H THR 49 8.148 -4.535 3.571 323 HA THR 49 HA THR 49 5.940 -5.688 2.578 324 HB THR 49 HB THR 49 5.546 -3.157 4.142 325 HG1 THR 49 1HG THR 49 6.004 -4.806 5.969 326 HG21 THR 49 1HG2 THR 49 4.009 -4.811 5.390 327 HG22 THR 49 2HG2 THR 49 4.242 -5.855 3.988 328 HG23 THR 49 3HG2 THR 49 3.518 -4.260 3.789 329 H ALA 50 H ALA 50 4.503 -5.356 1.008 330 HA ALA 50 HA ALA 50 4.679 -3.671 -1.063 331 HB1 ALA 50 1HB ALA 50 2.049 -3.740 -1.050 332 HB2 ALA 50 2HB ALA 50 2.997 -5.199 -1.341 333 HB3 ALA 50 3HB ALA 50 2.309 -4.898 0.254 334 H LEU 51 H LEU 51 3.394 -2.840 2.092 335 HA LEU 51 HA LEU 51 2.160 -0.415 1.492 336 HB2 LEU 51 1HB LEU 51 3.710 -1.001 4.005 337 HB3 LEU 51 2HB LEU 51 2.366 0.122 3.811 338 HG LEU 51 HG LEU 51 2.107 -2.868 3.524 339 HD11 LEU 51 1HD1 LEU 51 2.442 -2.885 5.744 340 HD12 LEU 51 2HD1 LEU 51 0.801 -2.243 5.813 341 HD13 LEU 51 3HD1 LEU 51 2.181 -1.149 5.904 342 HD21 LEU 51 1HD2 LEU 51 -0.283 -1.554 4.287 343 HD22 LEU 51 2HD2 LEU 51 0.067 -2.410 2.785 344 HD23 LEU 51 3HD2 LEU 51 0.394 -0.681 2.912 345 H TRP 52 H TRP 52 5.518 -1.026 2.504 346 HA TRP 52 HA TRP 52 6.488 1.536 2.582 347 HB2 TRP 52 1HB TRP 52 7.787 -1.033 1.693 348 HB3 TRP 52 2HB TRP 52 8.684 0.481 1.761 349 HD1 TRP 52 HD TRP 52 7.574 -2.367 3.894 350 HE1 TRP 52 1HE TRP 52 8.224 -1.938 6.348 351 HE3 TRP 52 3HE TRP 52 8.878 2.563 3.539 352 HZ2 TRP 52 2HZ TRP 52 9.165 0.206 7.924 353 HZ3 TRP 52 3HZ TRP 52 9.642 3.730 5.566 354 HH2 TRP 52 HH TRP 52 9.781 2.574 7.712 355 H LYS 53 H LYS 53 6.392 -0.576 -0.287 356 HA LYS 53 HA LYS 53 7.506 1.012 -2.185 357 HB2 LYS 53 1HB LYS 53 5.285 -0.965 -2.237 358 HB3 LYS 53 2HB LYS 53 5.503 0.037 -3.665 359 HG2 LYS 53 1HG LYS 53 6.739 -1.897 -4.092 360 HG3 LYS 53 2HG LYS 53 7.940 -0.696 -3.611 361 HD2 LYS 53 1HD LYS 53 8.267 -1.680 -1.527 362 HD3 LYS 53 2HD LYS 53 6.727 -2.540 -1.584 363 HE2 LYS 53 1HE LYS 53 9.022 -3.122 -3.445 364 HE3 LYS 53 2HE LYS 53 8.787 -3.956 -1.910 365 HZ1 LYS 53 1HZ LYS 53 7.287 -5.273 -2.839 366 HZ2 LYS 53 2HZ LYS 53 7.657 -4.596 -4.344 367 HZ3 LYS 53 3HZ LYS 53 6.390 -3.961 -3.420 368 H HIS 54 H HIS 54 4.205 1.262 -0.934 369 HA HIS 54 HA HIS 54 3.427 3.375 -2.676 370 HB2 HIS 54 1HB HIS 54 1.729 1.984 -1.671 371 HB3 HIS 54 2HB HIS 54 2.274 2.411 -0.052 372 HD1 HIS 54 1HD HIS 54 0.735 4.093 -3.091 373 HD2 HIS 54 2HD HIS 54 0.960 4.523 1.036 374 HE1 HIS 54 1HE HIS 54 -0.809 5.997 -2.528 375 H LEU 55 H LEU 55 4.479 3.281 0.718 376 HA LEU 55 HA LEU 55 4.264 5.996 1.283 377 HB2 LEU 55 1HB LEU 55 6.251 3.980 2.316 378 HB3 LEU 55 2HB LEU 55 5.993 5.577 3.014 379 HG LEU 55 HG LEU 55 3.750 3.596 2.807 380 HD11 LEU 55 1HD1 LEU 55 4.480 3.335 5.365 381 HD12 LEU 55 2HD1 LEU 55 6.069 3.563 4.637 382 HD13 LEU 55 3HD1 LEU 55 5.031 2.247 4.092 383 HD21 LEU 55 1HD2 LEU 55 2.651 4.956 4.291 384 HD22 LEU 55 2HD2 LEU 55 3.593 6.148 3.395 385 HD23 LEU 55 3HD2 LEU 55 4.143 5.598 4.979 386 H LYS 56 H LYS 56 6.992 4.184 -0.078 387 HA LYS 56 HA LYS 56 8.632 6.534 -0.331 388 HB2 LYS 56 1HB LYS 56 9.036 3.832 -1.622 389 HB3 LYS 56 2HB LYS 56 10.251 5.078 -1.367 390 HG2 LYS 56 1HG LYS 56 10.521 4.567 0.826 391 HG3 LYS 56 2HG LYS 56 8.847 4.045 1.026 392 HD2 LYS 56 1HD LYS 56 9.856 2.008 1.116 393 HD3 LYS 56 2HD LYS 56 9.663 2.131 -0.635 394 HE2 LYS 56 1HE LYS 56 11.986 3.206 -0.625 395 HE3 LYS 56 2HE LYS 56 12.126 2.591 1.021 396 HZ1 LYS 56 1HZ LYS 56 13.077 0.967 -0.351 397 HZ2 LYS 56 2HZ LYS 56 11.822 1.044 -1.483 398 HZ3 LYS 56 3HZ LYS 56 11.548 0.355 0.037 399 H SER 57 H SER 57 6.052 5.304 -2.062 400 HA SER 57 HA SER 57 6.958 6.117 -4.687 401 HB2 SER 57 1HB SER 57 5.480 4.216 -4.588 402 HB3 SER 57 2HB SER 57 4.283 5.133 -3.674 403 HG SER 57 HG SER 57 5.035 6.216 -6.108 404 H MET 58 H MET 58 4.826 7.327 -2.157 405 HA MET 58 HA MET 58 4.713 9.896 -3.587 406 HB2 MET 58 1HB MET 58 2.435 10.233 -2.909 407 HB3 MET 58 2HB MET 58 2.541 8.671 -3.710 408 HG2 MET 58 1HG MET 58 2.267 7.493 -1.733 409 HG3 MET 58 2HG MET 58 2.736 8.869 -0.736 410 HE1 MET 58 1HE MET 58 -1.084 9.373 -3.187 411 HE2 MET 58 2HE MET 58 0.583 9.352 -3.762 412 HE3 MET 58 3HE MET 58 -0.233 7.838 -3.368 413 H HIS 59 H HIS 59 4.747 8.182 -0.524 414 HA HIS 59 HA HIS 59 5.046 10.676 0.961 415 HB2 HIS 59 1HB HIS 59 4.924 7.818 1.946 416 HB3 HIS 59 2HB HIS 59 4.935 9.255 2.965 417 HD1 HIS 59 1HD HIS 59 2.793 10.907 2.544 418 HD2 HIS 59 2HD HIS 59 2.441 6.970 1.263 419 HE1 HIS 59 1HE HIS 59 0.326 10.510 2.259 420 H ARG 60 H ARG 60 7.106 9.606 -0.916 421 HA ARG 60 HA ARG 60 9.285 8.487 0.385 422 HB2 ARG 60 1HB ARG 60 9.306 8.666 -1.997 423 HB3 ARG 60 2HB ARG 60 9.153 10.417 -1.929 424 HG2 ARG 60 1HG ARG 60 11.367 10.703 -1.244 425 HG3 ARG 60 2HG ARG 60 11.531 9.011 -0.771 426 HD2 ARG 60 1HD ARG 60 10.905 9.627 -3.612 427 HD3 ARG 60 2HD ARG 60 12.543 9.932 -3.035 428 HE ARG 60 HE ARG 60 11.284 7.364 -3.436 429 HH11 ARG 60 2HH1 ARG 60 13.865 9.121 -1.895 430 HH12 ARG 60 1HH1 ARG 60 14.877 7.727 -1.707 431 HH21 ARG 60 2HH2 ARG 60 12.607 5.522 -3.195 432 HH22 ARG 60 1HH2 ARG 60 14.161 5.680 -2.448 433 H GLU 61 H GLU 61 8.187 11.821 0.288 434 HA GLU 61 HA GLU 61 10.530 12.910 1.512 435 HB2 GLU 61 1HB GLU 61 7.761 13.975 1.004 436 HB3 GLU 61 2HB GLU 61 8.954 14.901 1.905 437 HG2 GLU 61 1HG GLU 61 10.472 14.762 -0.038 438 HG3 GLU 61 2HG GLU 61 9.195 13.943 -0.936 439 H GLU 62 H GLU 62 7.368 11.848 2.662 440 HA GLU 62 HA GLU 62 7.580 12.774 5.302 441 HB2 GLU 62 1HB GLU 62 5.444 12.075 4.517 442 HB3 GLU 62 2HB GLU 62 6.047 10.481 4.086 443 HG2 GLU 62 1HG GLU 62 4.944 10.005 6.023 444 HG3 GLU 62 2HG GLU 62 6.564 10.316 6.644 445 H LEU 63 H LEU 63 8.491 9.672 3.845 446 HA LEU 63 HA LEU 63 9.324 8.412 6.217 447 HB2 LEU 63 1HB LEU 63 10.338 7.966 3.413 448 HB3 LEU 63 2HB LEU 63 10.507 6.854 4.770 449 HG LEU 63 HG LEU 63 7.899 7.649 3.476 450 HD11 LEU 63 1HD1 LEU 63 8.820 6.274 1.892 451 HD12 LEU 63 2HD1 LEU 63 8.040 5.086 2.937 452 HD13 LEU 63 3HD1 LEU 63 9.776 5.372 3.069 453 HD21 LEU 63 1HD2 LEU 63 7.173 5.567 4.828 454 HD22 LEU 63 2HD2 LEU 63 7.340 7.113 5.661 455 HD23 LEU 63 3HD2 LEU 63 8.610 5.897 5.796 456 H GLU 64 H GLU 64 11.315 9.912 3.659 457 HA GLU 64 HA GLU 64 13.772 9.719 4.909 458 HB2 GLU 64 1HB GLU 64 12.729 11.869 3.062 459 HB3 GLU 64 2HB GLU 64 14.417 11.714 3.528 460 HG2 GLU 64 1HG GLU 64 14.406 9.423 2.560 461 HG3 GLU 64 2HG GLU 64 12.775 9.735 1.968 462 H LYS 65 H LYS 65 11.329 12.263 5.208 463 HA LYS 65 HA LYS 65 12.720 14.101 6.732 464 HB2 LYS 65 1HB LYS 65 9.809 13.324 6.730 465 HB3 LYS 65 2HB LYS 65 10.422 14.637 7.726 466 HG2 LYS 65 1HG LYS 65 11.071 14.659 4.829 467 HG3 LYS 65 2HG LYS 65 9.426 15.063 5.325 468 HD2 LYS 65 1HD LYS 65 11.814 16.360 6.601 469 HD3 LYS 65 2HD LYS 65 11.122 16.978 5.099 470 HE2 LYS 65 1HE LYS 65 8.880 16.837 6.477 471 HE3 LYS 65 2HE LYS 65 9.981 16.937 7.850 472 HZ1 LYS 65 1HZ LYS 65 9.939 19.121 7.543 473 HZ2 LYS 65 2HZ LYS 65 9.147 18.986 6.054 474 HZ3 LYS 65 3HZ LYS 65 10.834 18.885 6.127 475 H SER 66 H SER 66 10.701 11.416 7.925 476 HA SER 66 HA SER 66 11.480 11.832 10.648 477 HB2 SER 66 1HB SER 66 9.935 9.677 9.221 478 HB3 SER 66 2HB SER 66 10.361 9.523 10.925 479 HG SER 66 HG SER 66 8.462 11.089 9.727 480 H GLY 67 H GLY 67 12.588 10.221 11.972 481 HA2 GLY 67 1HA GLY 67 15.137 9.688 11.388 482 HA3 GLY 67 2HA GLY 67 14.187 8.572 12.357 483 H HIS 68 H HIS 68 12.455 7.591 10.398 484 HA HIS 68 HA HIS 68 13.925 5.502 9.310 485 HB2 HIS 68 1HB HIS 68 11.381 6.490 8.044 486 HB3 HIS 68 2HB HIS 68 11.953 4.833 8.213 487 HD1 HIS 68 1HD HIS 68 11.405 3.612 10.381 488 HD2 HIS 68 2HD HIS 68 10.196 7.587 10.375 489 HE1 HIS 68 1HE HIS 68 9.935 3.871 12.405 490 H GLY 69 H GLY 69 15.661 5.940 8.055 491 HA2 GLY 69 1HA GLY 69 15.171 7.545 5.621 492 HA3 GLY 69 2HA GLY 69 16.707 7.539 6.474 493 H GLN 70 H GLN 70 15.504 6.603 3.713 494 HA GLN 70 HA GLN 70 15.704 4.780 2.304 495 HB2 GLN 70 1HB GLN 70 18.051 4.303 1.840 496 HB3 GLN 70 2HB GLN 70 17.809 6.027 2.089 497 HG2 GLN 70 1HG GLN 70 18.700 5.866 4.328 498 HG3 GLN 70 2HG GLN 70 18.861 4.118 4.163 499 HE21 GLN 70 1HE2 GLN 70 20.933 5.981 4.783 500 HE22 GLN 70 2HE2 GLN 70 22.106 5.885 3.518 501 H SER 71 H SER 71 14.656 3.877 4.709 502 HA SER 71 HA SER 71 15.930 1.897 6.100 503 HB2 SER 71 1HB SER 71 13.057 2.041 5.176 504 HB3 SER 71 2HB SER 71 13.644 0.812 6.297 505 HG SER 71 HG SER 71 14.320 2.551 7.668 506 H GLY 72 H GLY 72 17.337 0.600 4.996 507 HA2 GLY 72 1HA GLY 72 16.658 -1.819 4.021 508 HA3 GLY 72 2HA GLY 72 16.501 -0.796 2.600 509 HA PRO 73 HA PRO 73 20.819 -2.257 2.473 510 HB2 PRO 73 1HB PRO 73 20.986 -2.167 -0.235 511 HB3 PRO 73 2HB PRO 73 20.290 -3.536 0.640 512 HG2 PRO 73 1HG PRO 73 18.906 -1.255 -0.716 513 HG3 PRO 73 2HG PRO 73 18.498 -2.981 -0.734 514 HD2 PRO 73 1HD PRO 73 17.211 -1.196 0.844 515 HD3 PRO 73 2HD PRO 73 17.465 -2.886 1.324 516 H SER 74 H SER 74 22.550 -0.962 2.575 517 HA SER 74 HA SER 74 22.255 1.835 1.868 518 HB2 SER 74 1HB SER 74 24.270 2.204 3.111 519 HB3 SER 74 2HB SER 74 23.305 1.048 4.030 520 HG SER 74 HG SER 74 25.364 0.302 2.228 521 H SER 75 H SER 75 23.452 2.941 0.356 522 HA SER 75 HA SER 75 24.482 1.356 -1.825 523 HB2 SER 75 1HB SER 75 23.189 3.234 -2.487 524 HB3 SER 75 2HB SER 75 24.079 4.319 -1.418 525 HG SER 75 HG SER 75 25.082 3.026 -3.738 526 H GLY 76 H GLY 76 26.521 0.722 -1.999 527 HA2 GLY 76 1HA GLY 76 28.572 1.134 -0.267 528 HA3 GLY 76 2HA GLY 76 28.829 0.817 -1.976 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.884 -19.192 6.777 2 HA2 GLY 1 1HA GLY 1 3.126 -16.847 7.736 3 HA3 GLY 1 2HA GLY 1 1.560 -17.598 8.003 4 H SER 2 H SER 2 4.754 -17.137 9.466 5 HA SER 2 HA SER 2 3.437 -17.029 12.089 6 HB2 SER 2 1HB SER 2 5.217 -18.321 13.115 7 HB3 SER 2 2HB SER 2 4.517 -19.256 11.794 8 HG SER 2 HG SER 2 6.309 -18.313 10.506 9 H SER 3 H SER 3 4.599 -15.815 13.697 10 HA SER 3 HA SER 3 5.448 -13.341 12.959 11 HB2 SER 3 1HB SER 3 4.962 -14.144 15.305 12 HB3 SER 3 2HB SER 3 6.598 -14.801 15.344 13 HG SER 3 HG SER 3 6.240 -12.586 16.200 14 H GLY 4 H GLY 4 7.679 -12.361 13.309 15 HA2 GLY 4 1HA GLY 4 10.114 -13.024 13.281 16 HA3 GLY 4 2HA GLY 4 9.663 -14.072 11.943 17 H SER 5 H SER 5 7.902 -12.294 10.621 18 HA SER 5 HA SER 5 9.386 -11.075 8.765 19 HB2 SER 5 1HB SER 5 6.984 -11.061 8.583 20 HB3 SER 5 2HB SER 5 6.834 -10.002 9.985 21 HG SER 5 HG SER 5 8.391 -9.094 7.863 22 H SER 6 H SER 6 10.625 -9.296 8.483 23 HA SER 6 HA SER 6 11.336 -7.801 10.886 24 HB2 SER 6 1HB SER 6 13.247 -6.985 9.528 25 HB3 SER 6 2HB SER 6 13.177 -8.746 9.599 26 HG SER 6 HG SER 6 12.606 -7.022 7.457 27 H GLY 7 H GLY 7 11.766 -5.434 10.644 28 HA2 GLY 7 1HA GLY 7 11.072 -3.304 10.132 29 HA3 GLY 7 2HA GLY 7 10.547 -3.929 8.576 30 H SER 8 H SER 8 8.419 -4.780 8.375 31 HA SER 8 HA SER 8 6.166 -4.344 8.588 32 HB2 SER 8 1HB SER 8 5.222 -5.433 10.599 33 HB3 SER 8 2HB SER 8 6.466 -6.424 9.837 34 HG SER 8 HG SER 8 7.572 -6.312 11.611 35 H GLU 9 H GLU 9 7.690 -2.018 9.123 36 HA GLU 9 HA GLU 9 6.344 -0.786 11.415 37 HB2 GLU 9 1HB GLU 9 8.908 -0.622 10.832 38 HB3 GLU 9 2HB GLU 9 8.367 0.649 9.745 39 HG2 GLU 9 1HG GLU 9 8.882 1.835 11.639 40 HG3 GLU 9 2HG GLU 9 7.150 1.571 11.841 41 H ALA 10 H ALA 10 6.553 -0.660 7.931 42 HA ALA 10 HA ALA 10 5.390 1.783 7.373 43 HB1 ALA 10 1HB ALA 10 6.331 0.265 5.680 44 HB2 ALA 10 2HB ALA 10 4.931 -0.791 5.871 45 HB3 ALA 10 3HB ALA 10 4.723 0.844 5.244 46 H TRP 11 H TRP 11 3.948 -1.069 8.700 47 HA TRP 11 HA TRP 11 1.282 -0.774 8.031 48 HB2 TRP 11 1HB TRP 11 2.725 -1.941 10.365 49 HB3 TRP 11 2HB TRP 11 0.984 -1.713 10.504 50 HD1 TRP 11 HD TRP 11 3.307 -4.300 9.605 51 HE1 TRP 11 1HE TRP 11 2.241 -6.072 8.072 52 HE3 TRP 11 3HE TRP 11 -0.860 -1.717 8.155 53 HZ2 TRP 11 2HZ TRP 11 -0.062 -6.339 6.461 54 HZ3 TRP 11 3HZ TRP 11 -2.443 -2.802 6.616 55 HH2 TRP 11 HH TRP 11 -2.051 -5.065 5.787 56 H GLU 12 H GLU 12 3.203 1.019 10.339 57 HA GLU 12 HA GLU 12 1.192 2.213 11.849 58 HB2 GLU 12 1HB GLU 12 3.847 3.381 10.995 59 HB3 GLU 12 2HB GLU 12 2.830 4.015 12.281 60 HG2 GLU 12 1HG GLU 12 4.255 1.371 12.210 61 HG3 GLU 12 2HG GLU 12 4.573 2.740 13.274 62 H TYR 13 H TYR 13 2.011 2.652 8.561 63 HA TYR 13 HA TYR 13 0.531 5.186 8.428 64 HB2 TYR 13 1HB TYR 13 2.230 3.889 6.290 65 HB3 TYR 13 2HB TYR 13 1.531 5.503 6.239 66 HD1 TYR 13 2HD TYR 13 4.150 3.406 7.732 67 HD2 TYR 13 1HD TYR 13 2.529 7.330 7.458 68 HE1 TYR 13 2HE TYR 13 6.186 4.313 8.770 69 HE2 TYR 13 1HE TYR 13 4.562 8.248 8.495 70 HH TYR 13 HH TYR 13 7.069 7.441 8.659 71 H PHE 14 H PHE 14 -0.452 2.277 8.595 72 HA PHE 14 HA PHE 14 -2.561 2.618 6.627 73 HB2 PHE 14 1HB PHE 14 -0.802 0.158 6.689 74 HB3 PHE 14 2HB PHE 14 -2.317 0.279 5.801 75 HD1 PHE 14 1HD PHE 14 1.167 1.397 5.974 76 HD2 PHE 14 2HD PHE 14 -2.467 1.535 3.762 77 HE1 PHE 14 1HE PHE 14 2.379 2.331 4.046 78 HE2 PHE 14 2HE PHE 14 -1.261 2.468 1.832 79 HZ PHE 14 HZ PHE 14 1.165 2.867 1.972 80 H HIS 15 H HIS 15 -4.403 1.238 7.019 81 HA HIS 15 HA HIS 15 -4.429 -0.168 9.582 82 HB2 HIS 15 1HB HIS 15 -6.047 1.112 10.581 83 HB3 HIS 15 2HB HIS 15 -5.249 2.362 9.631 84 HD1 HIS 15 1HD HIS 15 -8.085 -0.107 8.985 85 HD2 HIS 15 2HD HIS 15 -7.077 3.874 8.360 86 HE1 HIS 15 1HE HIS 15 -10.065 0.912 7.816 87 H LEU 16 H LEU 16 -5.558 -2.010 9.496 88 HA LEU 16 HA LEU 16 -6.676 -2.900 7.048 89 HB2 LEU 16 1HB LEU 16 -6.734 -4.028 9.836 90 HB3 LEU 16 2HB LEU 16 -7.456 -4.847 8.454 91 HG LEU 16 HG LEU 16 -4.534 -4.132 8.655 92 HD11 LEU 16 1HD1 LEU 16 -5.730 -5.950 10.244 93 HD12 LEU 16 2HD1 LEU 16 -4.075 -6.095 9.653 94 HD13 LEU 16 3HD1 LEU 16 -5.383 -6.944 8.829 95 HD21 LEU 16 1HD2 LEU 16 -6.084 -5.899 6.765 96 HD22 LEU 16 2HD2 LEU 16 -4.326 -5.759 6.813 97 HD23 LEU 16 3HD2 LEU 16 -5.311 -4.362 6.377 98 H ALA 17 H ALA 17 -8.800 -3.266 6.456 99 HA ALA 17 HA ALA 17 -10.760 -1.603 7.834 100 HB1 ALA 17 1HB ALA 17 -12.140 -1.925 5.843 101 HB2 ALA 17 2HB ALA 17 -10.528 -1.346 5.420 102 HB3 ALA 17 3HB ALA 17 -10.943 -3.045 5.191 103 HA PRO 18 HA PRO 18 -12.939 -4.902 9.747 104 HB2 PRO 18 1HB PRO 18 -15.478 -3.944 9.677 105 HB3 PRO 18 2HB PRO 18 -14.236 -3.294 10.753 106 HG2 PRO 18 1HG PRO 18 -15.203 -2.242 8.123 107 HG3 PRO 18 2HG PRO 18 -14.841 -1.358 9.617 108 HD2 PRO 18 1HD PRO 18 -13.118 -1.459 7.531 109 HD3 PRO 18 2HD PRO 18 -12.571 -1.359 9.217 110 H ALA 19 H ALA 19 -13.723 -6.819 9.111 111 HA ALA 19 HA ALA 19 -14.928 -6.995 6.432 112 HB1 ALA 19 1HB ALA 19 -12.949 -8.590 7.829 113 HB2 ALA 19 2HB ALA 19 -14.268 -9.571 7.189 114 HB3 ALA 19 3HB ALA 19 -13.343 -8.527 6.111 115 H ARG 20 H ARG 20 -16.818 -8.143 6.102 116 HA ARG 20 HA ARG 20 -18.435 -8.557 8.504 117 HB2 ARG 20 1HB ARG 20 -19.095 -8.181 5.594 118 HB3 ARG 20 2HB ARG 20 -20.291 -8.798 6.726 119 HG2 ARG 20 1HG ARG 20 -20.017 -6.763 8.086 120 HG3 ARG 20 2HG ARG 20 -18.880 -6.143 6.886 121 HD2 ARG 20 1HD ARG 20 -21.123 -5.219 6.564 122 HD3 ARG 20 2HD ARG 20 -20.621 -6.198 5.186 123 HE ARG 20 HE ARG 20 -21.998 -7.957 6.690 124 HH11 ARG 20 2HH1 ARG 20 -22.728 -4.755 5.537 125 HH12 ARG 20 1HH1 ARG 20 -24.435 -5.035 5.445 126 HH21 ARG 20 2HH2 ARG 20 -24.244 -8.339 6.574 127 HH22 ARG 20 1HH2 ARG 20 -25.297 -7.074 6.036 128 H ALA 21 H ALA 21 -17.739 -10.221 5.428 129 HA ALA 21 HA ALA 21 -18.821 -12.706 6.431 130 HB1 ALA 21 1HB ALA 21 -18.844 -13.399 4.287 131 HB2 ALA 21 2HB ALA 21 -18.654 -11.679 3.945 132 HB3 ALA 21 3HB ALA 21 -17.244 -12.739 3.943 133 H GLY 22 H GLY 22 -17.419 -14.740 5.988 134 HA2 GLY 22 1HA GLY 22 -15.465 -15.016 7.837 135 HA3 GLY 22 2HA GLY 22 -15.484 -15.954 6.351 136 H HIS 23 H HIS 23 -15.005 -13.786 4.561 137 HA HIS 23 HA HIS 23 -12.355 -13.802 4.159 138 HB2 HIS 23 1HB HIS 23 -14.264 -11.500 3.764 139 HB3 HIS 23 2HB HIS 23 -12.600 -11.457 3.190 140 HD1 HIS 23 1HD HIS 23 -13.483 -11.311 0.740 141 HD2 HIS 23 2HD HIS 23 -14.504 -14.804 2.744 142 HE1 HIS 23 1HE HIS 23 -14.287 -12.896 -1.039 143 H HIS 24 H HIS 24 -10.766 -13.574 5.590 144 HA HIS 24 HA HIS 24 -10.812 -12.243 7.997 145 HB2 HIS 24 1HB HIS 24 -8.293 -12.172 7.785 146 HB3 HIS 24 2HB HIS 24 -9.025 -13.757 7.556 147 HD1 HIS 24 1HD HIS 24 -6.373 -13.678 6.404 148 HD2 HIS 24 2HD HIS 24 -9.628 -12.188 4.295 149 HE1 HIS 24 1HE HIS 24 -5.673 -13.691 3.988 150 HA PRO 25 HA PRO 25 -10.594 -7.931 7.216 151 HB2 PRO 25 1HB PRO 25 -9.066 -7.087 9.296 152 HB3 PRO 25 2HB PRO 25 -10.738 -7.630 9.489 153 HG2 PRO 25 1HG PRO 25 -8.191 -9.126 9.980 154 HG3 PRO 25 2HG PRO 25 -9.668 -9.079 10.960 155 HD2 PRO 25 1HD PRO 25 -9.093 -11.131 9.290 156 HD3 PRO 25 2HD PRO 25 -10.757 -10.606 9.621 157 H ASN 26 H ASN 26 -8.027 -9.922 6.701 158 HA ASN 26 HA ASN 26 -6.048 -7.831 6.254 159 HB2 ASN 26 1HB ASN 26 -5.667 -10.281 7.182 160 HB3 ASN 26 2HB ASN 26 -5.587 -10.677 5.468 161 HD21 ASN 26 1HD2 ASN 26 -4.376 -8.130 7.627 162 HD22 ASN 26 2HD2 ASN 26 -2.760 -8.147 7.016 163 H GLN 27 H GLN 27 -8.329 -7.583 4.663 164 HA GLN 27 HA GLN 27 -7.744 -8.687 2.053 165 HB2 GLN 27 1HB GLN 27 -10.079 -8.224 3.094 166 HB3 GLN 27 2HB GLN 27 -9.799 -6.565 2.584 167 HG2 GLN 27 1HG GLN 27 -11.122 -8.002 1.003 168 HG3 GLN 27 2HG GLN 27 -9.734 -7.165 0.310 169 HE21 GLN 27 1HE2 GLN 27 -11.122 -10.212 1.138 170 HE22 GLN 27 2HE2 GLN 27 -9.931 -11.205 0.377 171 H TYR 28 H TYR 28 -8.424 -5.334 3.049 172 HA TYR 28 HA TYR 28 -6.187 -4.469 1.340 173 HB2 TYR 28 1HB TYR 28 -8.986 -3.377 1.506 174 HB3 TYR 28 2HB TYR 28 -7.650 -2.379 0.943 175 HD1 TYR 28 1HD TYR 28 -6.192 -3.458 -0.971 176 HD2 TYR 28 2HD TYR 28 -10.182 -4.608 -0.043 177 HE1 TYR 28 1HE TYR 28 -6.442 -4.392 -3.233 178 HE2 TYR 28 2HE TYR 28 -10.443 -5.546 -2.302 179 HH TYR 28 HH TYR 28 -9.375 -5.166 -4.587 180 H ALA 29 H ALA 29 -5.018 -2.672 2.027 181 HA ALA 29 HA ALA 29 -5.396 -1.995 4.861 182 HB1 ALA 29 1HB ALA 29 -2.931 -1.675 3.153 183 HB2 ALA 29 2HB ALA 29 -3.051 -1.381 4.889 184 HB3 ALA 29 3HB ALA 29 -3.243 -3.016 4.257 185 H THR 30 H THR 30 -6.046 -0.023 5.411 186 HA THR 30 HA THR 30 -6.303 2.013 3.345 187 HB THR 30 HB THR 30 -7.250 2.116 6.215 188 HG1 THR 30 1HG THR 30 -8.977 1.681 4.043 189 HG21 THR 30 1HG2 THR 30 -8.518 3.990 5.617 190 HG22 THR 30 2HG2 THR 30 -8.338 3.676 3.891 191 HG23 THR 30 3HG2 THR 30 -6.966 4.267 4.827 192 H CYS 31 H CYS 31 -4.609 3.294 3.010 193 HA CYS 31 HA CYS 31 -2.490 3.704 4.797 194 HB2 CYS 31 1HB CYS 31 -2.526 4.087 2.273 195 HB3 CYS 31 2HB CYS 31 -3.282 5.638 2.622 196 H ARG 32 H ARG 32 -2.250 4.986 6.507 197 HA ARG 32 HA ARG 32 -4.421 6.756 7.259 198 HB2 ARG 32 1HB ARG 32 -1.868 6.047 8.719 199 HB3 ARG 32 2HB ARG 32 -3.203 6.976 9.388 200 HG2 ARG 32 1HG ARG 32 -4.602 5.126 9.500 201 HG3 ARG 32 2HG ARG 32 -3.645 4.213 8.331 202 HD2 ARG 32 1HD ARG 32 -3.142 3.231 10.394 203 HD3 ARG 32 2HD ARG 32 -1.774 4.294 10.067 204 HE ARG 32 HE ARG 32 -3.427 5.848 11.539 205 HH11 ARG 32 2HH1 ARG 32 -2.104 2.660 11.992 206 HH12 ARG 32 1HH1 ARG 32 -2.080 2.774 13.721 207 HH21 ARG 32 2HH2 ARG 32 -3.401 6.010 13.814 208 HH22 ARG 32 1HH2 ARG 32 -2.819 4.679 14.756 209 H LEU 33 H LEU 33 -1.844 7.103 5.308 210 HA LEU 33 HA LEU 33 -1.048 9.754 6.231 211 HB2 LEU 33 1HB LEU 33 -0.054 7.921 4.071 212 HB3 LEU 33 2HB LEU 33 0.472 9.600 4.183 213 HG LEU 33 HG LEU 33 0.861 7.524 6.338 214 HD11 LEU 33 1HD1 LEU 33 2.701 8.553 4.193 215 HD12 LEU 33 2HD1 LEU 33 2.229 6.885 4.515 216 HD13 LEU 33 3HD1 LEU 33 3.273 7.740 5.650 217 HD21 LEU 33 1HD2 LEU 33 2.564 9.870 6.366 218 HD22 LEU 33 2HD2 LEU 33 1.597 9.159 7.659 219 HD23 LEU 33 3HD2 LEU 33 0.856 10.285 6.521 220 H CYS 34 H CYS 34 -2.410 8.230 3.319 221 HA CYS 34 HA CYS 34 -3.448 10.874 2.532 222 HB2 CYS 34 1HB CYS 34 -3.434 10.041 0.206 223 HB3 CYS 34 2HB CYS 34 -1.824 10.041 0.919 224 H GLY 35 H GLY 35 -4.145 7.423 2.770 225 HA2 GLY 35 1HA GLY 35 -6.310 6.716 3.569 226 HA3 GLY 35 2HA GLY 35 -7.014 8.099 2.744 227 H ARG 36 H ARG 36 -4.599 6.014 1.295 228 HA ARG 36 HA ARG 36 -6.598 5.206 -0.697 229 HB2 ARG 36 1HB ARG 36 -3.644 5.630 -0.772 230 HB3 ARG 36 2HB ARG 36 -4.353 4.470 -1.888 231 HG2 ARG 36 1HG ARG 36 -5.988 6.431 -2.433 232 HG3 ARG 36 2HG ARG 36 -4.697 7.424 -1.754 233 HD2 ARG 36 1HD ARG 36 -3.123 6.253 -3.335 234 HD3 ARG 36 2HD ARG 36 -4.545 5.550 -4.105 235 HE ARG 36 HE ARG 36 -4.947 8.291 -4.021 236 HH11 ARG 36 2HH1 ARG 36 -2.706 6.051 -5.464 237 HH12 ARG 36 1HH1 ARG 36 -2.378 7.060 -6.834 238 HH21 ARG 36 2HH2 ARG 36 -4.523 9.628 -5.820 239 HH22 ARG 36 1HH2 ARG 36 -3.412 9.095 -7.035 240 H GLN 37 H GLN 37 -7.010 3.089 -1.152 241 HA GLN 37 HA GLN 37 -6.295 1.164 0.856 242 HB2 GLN 37 1HB GLN 37 -7.827 0.784 -1.722 243 HB3 GLN 37 2HB GLN 37 -7.738 -0.367 -0.396 244 HG2 GLN 37 1HG GLN 37 -9.835 0.809 -0.325 245 HG3 GLN 37 2HG GLN 37 -8.852 1.254 1.068 246 HE21 GLN 37 1HE2 GLN 37 -9.190 3.296 1.549 247 HE22 GLN 37 2HE2 GLN 37 -9.297 4.605 0.426 248 H VAL 38 H VAL 38 -4.688 -0.266 0.809 249 HA VAL 38 HA VAL 38 -3.450 -0.939 -1.769 250 HB VAL 38 HB VAL 38 -1.910 -0.209 0.726 251 HG11 VAL 38 1HG1 VAL 38 -0.996 -2.062 -0.760 252 HG12 VAL 38 2HG1 VAL 38 -0.773 -0.814 -1.989 253 HG13 VAL 38 3HG1 VAL 38 0.070 -0.693 -0.444 254 HG21 VAL 38 1HG2 VAL 38 -2.273 1.873 -0.043 255 HG22 VAL 38 2HG2 VAL 38 -1.031 1.459 -1.224 256 HG23 VAL 38 3HG2 VAL 38 -2.736 1.311 -1.649 257 H SER 39 H SER 39 -3.515 -3.062 -2.030 258 HA SER 39 HA SER 39 -3.890 -4.819 0.242 259 HB2 SER 39 1HB SER 39 -4.054 -6.597 -1.533 260 HB3 SER 39 2HB SER 39 -5.226 -5.290 -1.701 261 HG SER 39 HG SER 39 -4.048 -5.961 -3.660 262 H ARG 40 H ARG 40 -2.613 -6.877 0.346 263 HA ARG 40 HA ARG 40 0.206 -6.217 0.333 264 HB2 ARG 40 1HB ARG 40 -1.061 -8.822 1.179 265 HB3 ARG 40 2HB ARG 40 0.517 -8.197 1.637 266 HG2 ARG 40 1HG ARG 40 -2.044 -6.812 2.371 267 HG3 ARG 40 2HG ARG 40 -1.303 -8.057 3.379 268 HD2 ARG 40 1HD ARG 40 -0.632 -5.873 4.161 269 HD3 ARG 40 2HD ARG 40 0.760 -6.711 3.475 270 HE ARG 40 HE ARG 40 0.909 -5.069 1.895 271 HH11 ARG 40 2HH1 ARG 40 -2.267 -4.972 3.318 272 HH12 ARG 40 1HH1 ARG 40 -2.732 -3.519 2.498 273 HH21 ARG 40 2HH2 ARG 40 0.308 -3.155 0.810 274 HH22 ARG 40 1HH2 ARG 40 -1.267 -2.487 1.071 275 H GLY 41 H GLY 41 -1.901 -8.687 -1.120 276 HA2 GLY 41 1HA GLY 41 -1.679 -9.779 -3.145 277 HA3 GLY 41 2HA GLY 41 -0.248 -8.810 -3.466 278 HA PRO 42 HA PRO 42 0.872 -13.284 -2.489 279 HB2 PRO 42 1HB PRO 42 1.939 -13.879 -4.913 280 HB3 PRO 42 2HB PRO 42 0.230 -14.118 -4.531 281 HG2 PRO 42 1HG PRO 42 1.545 -11.871 -6.009 282 HG3 PRO 42 2HG PRO 42 0.041 -12.730 -6.387 283 HD2 PRO 42 1HD PRO 42 0.069 -10.304 -5.185 284 HD3 PRO 42 2HD PRO 42 -1.185 -11.517 -4.858 285 H GLY 43 H GLY 43 2.548 -12.768 -1.143 286 HA2 GLY 43 1HA GLY 43 4.890 -12.875 -0.806 287 HA3 GLY 43 2HA GLY 43 5.128 -12.276 -2.440 288 H VAL 44 H VAL 44 3.905 -11.287 0.745 289 HA VAL 44 HA VAL 44 4.849 -8.557 0.151 290 HB VAL 44 HB VAL 44 2.480 -8.479 0.433 291 HG11 VAL 44 1HG1 VAL 44 1.515 -10.164 1.530 292 HG12 VAL 44 2HG1 VAL 44 2.991 -10.526 2.428 293 HG13 VAL 44 3HG1 VAL 44 1.886 -9.279 3.010 294 HG21 VAL 44 1HG2 VAL 44 4.142 -6.923 1.815 295 HG22 VAL 44 2HG2 VAL 44 2.389 -6.757 1.916 296 HG23 VAL 44 3HG2 VAL 44 3.264 -7.642 3.166 297 H ASN 45 H ASN 45 5.465 -11.294 1.939 298 HA ASN 45 HA ASN 45 6.615 -9.817 4.197 299 HB2 ASN 45 1HB ASN 45 7.027 -12.323 4.951 300 HB3 ASN 45 2HB ASN 45 5.454 -11.558 5.154 301 HD21 ASN 45 1HD2 ASN 45 4.569 -13.682 5.175 302 HD22 ASN 45 2HD2 ASN 45 4.294 -14.529 3.694 303 H VAL 46 H VAL 46 7.446 -11.840 1.469 304 HA VAL 46 HA VAL 46 9.938 -12.734 1.880 305 HB VAL 46 HB VAL 46 8.833 -12.897 -0.294 306 HG11 VAL 46 1HG1 VAL 46 9.514 -9.970 -0.531 307 HG12 VAL 46 2HG1 VAL 46 8.991 -10.981 -1.879 308 HG13 VAL 46 3HG1 VAL 46 7.907 -10.696 -0.516 309 HG21 VAL 46 1HG2 VAL 46 11.617 -11.796 -0.179 310 HG22 VAL 46 2HG2 VAL 46 11.088 -13.458 -0.437 311 HG23 VAL 46 3HG2 VAL 46 10.891 -12.261 -1.717 312 H GLY 47 H GLY 47 9.036 -9.359 1.587 313 HA2 GLY 47 1HA GLY 47 11.314 -8.440 2.962 314 HA3 GLY 47 2HA GLY 47 11.579 -8.234 1.237 315 H THR 48 H THR 48 11.424 -6.088 0.955 316 HA THR 48 HA THR 48 10.160 -4.144 2.257 317 HB THR 48 HB THR 48 9.956 -4.332 -0.752 318 HG1 THR 48 1HG THR 48 12.101 -4.693 -0.169 319 HG21 THR 48 1HG2 THR 48 10.426 -1.849 0.861 320 HG22 THR 48 2HG2 THR 48 8.791 -2.464 0.617 321 HG23 THR 48 3HG2 THR 48 9.780 -2.011 -0.771 322 H THR 49 H THR 49 8.234 -4.302 3.238 323 HA THR 49 HA THR 49 6.011 -5.731 2.330 324 HB THR 49 HB THR 49 5.733 -3.281 4.052 325 HG1 THR 49 1HG THR 49 6.460 -5.803 5.106 326 HG21 THR 49 1HG2 THR 49 4.237 -5.797 3.575 327 HG22 THR 49 2HG2 THR 49 3.641 -4.172 3.920 328 HG23 THR 49 3HG2 THR 49 4.263 -5.181 5.227 329 H ALA 50 H ALA 50 4.544 -5.345 0.808 330 HA ALA 50 HA ALA 50 4.598 -3.552 -1.166 331 HB1 ALA 50 1HB ALA 50 1.867 -3.950 -0.112 332 HB2 ALA 50 2HB ALA 50 2.515 -4.230 -1.729 333 HB3 ALA 50 3HB ALA 50 2.803 -5.408 -0.448 334 H LEU 51 H LEU 51 3.461 -2.889 2.083 335 HA LEU 51 HA LEU 51 2.172 -0.457 1.675 336 HB2 LEU 51 1HB LEU 51 3.878 -1.165 4.054 337 HB3 LEU 51 2HB LEU 51 2.546 -0.011 4.004 338 HG LEU 51 HG LEU 51 2.128 -2.943 3.491 339 HD11 LEU 51 1HD1 LEU 51 1.480 -1.839 6.150 340 HD12 LEU 51 2HD1 LEU 51 3.186 -2.129 5.815 341 HD13 LEU 51 3HD1 LEU 51 2.027 -3.451 5.688 342 HD21 LEU 51 1HD2 LEU 51 0.296 -0.737 4.428 343 HD22 LEU 51 2HD2 LEU 51 -0.160 -2.417 4.145 344 HD23 LEU 51 3HD2 LEU 51 0.358 -1.403 2.797 345 H TRP 52 H TRP 52 5.597 -1.073 2.414 346 HA TRP 52 HA TRP 52 6.493 1.546 2.507 347 HB2 TRP 52 1HB TRP 52 7.862 -0.985 1.602 348 HB3 TRP 52 2HB TRP 52 8.707 0.557 1.711 349 HD1 TRP 52 HD TRP 52 7.563 -2.343 3.798 350 HE1 TRP 52 1HE TRP 52 8.228 -1.960 6.254 351 HE3 TRP 52 3HE TRP 52 8.981 2.560 3.500 352 HZ2 TRP 52 2HZ TRP 52 9.221 0.142 7.855 353 HZ3 TRP 52 3HZ TRP 52 9.776 3.683 5.540 354 HH2 TRP 52 HH TRP 52 9.892 2.498 7.671 355 H LYS 53 H LYS 53 6.445 -0.621 -0.323 356 HA LYS 53 HA LYS 53 7.481 0.922 -2.275 357 HB2 LYS 53 1HB LYS 53 5.113 -0.920 -2.304 358 HB3 LYS 53 2HB LYS 53 5.584 -0.063 -3.767 359 HG2 LYS 53 1HG LYS 53 7.797 -1.077 -3.660 360 HG3 LYS 53 2HG LYS 53 7.343 -1.922 -2.178 361 HD2 LYS 53 1HD LYS 53 5.972 -3.395 -3.277 362 HD3 LYS 53 2HD LYS 53 5.627 -2.264 -4.587 363 HE2 LYS 53 1HE LYS 53 8.123 -2.567 -5.187 364 HE3 LYS 53 2HE LYS 53 8.029 -4.008 -4.176 365 HZ1 LYS 53 1HZ LYS 53 6.058 -4.645 -5.601 366 HZ2 LYS 53 2HZ LYS 53 7.577 -4.728 -6.341 367 HZ3 LYS 53 3HZ LYS 53 6.547 -3.427 -6.670 368 H HIS 54 H HIS 54 4.219 1.242 -0.942 369 HA HIS 54 HA HIS 54 3.441 3.347 -2.702 370 HB2 HIS 54 1HB HIS 54 1.754 1.952 -1.653 371 HB3 HIS 54 2HB HIS 54 2.295 2.447 -0.052 372 HD1 HIS 54 1HD HIS 54 0.787 4.026 -3.164 373 HD2 HIS 54 2HD HIS 54 0.939 4.569 0.953 374 HE1 HIS 54 1HE HIS 54 -0.773 5.939 -2.680 375 H LEU 55 H LEU 55 4.609 3.236 0.645 376 HA LEU 55 HA LEU 55 4.397 5.953 1.237 377 HB2 LEU 55 1HB LEU 55 6.500 4.021 2.204 378 HB3 LEU 55 2HB LEU 55 6.062 5.549 2.967 379 HG LEU 55 HG LEU 55 4.191 3.200 2.683 380 HD11 LEU 55 1HD1 LEU 55 5.724 2.350 4.166 381 HD12 LEU 55 2HD1 LEU 55 4.627 3.193 5.260 382 HD13 LEU 55 3HD1 LEU 55 6.158 3.938 4.799 383 HD21 LEU 55 1HD2 LEU 55 2.673 4.387 3.938 384 HD22 LEU 55 2HD2 LEU 55 3.393 5.671 2.966 385 HD23 LEU 55 3HD2 LEU 55 3.906 5.436 4.638 386 H LYS 56 H LYS 56 7.083 4.142 -0.208 387 HA LYS 56 HA LYS 56 8.714 6.494 -0.504 388 HB2 LYS 56 1HB LYS 56 9.073 3.778 -1.780 389 HB3 LYS 56 2HB LYS 56 10.295 5.033 -1.615 390 HG2 LYS 56 1HG LYS 56 10.667 4.579 0.580 391 HG3 LYS 56 2HG LYS 56 9.011 4.039 0.865 392 HD2 LYS 56 1HD LYS 56 9.427 1.924 -0.079 393 HD3 LYS 56 2HD LYS 56 10.930 2.464 -0.830 394 HE2 LYS 56 1HE LYS 56 10.538 2.390 2.151 395 HE3 LYS 56 2HE LYS 56 11.145 1.009 1.240 396 HZ1 LYS 56 1HZ LYS 56 12.710 3.018 0.363 397 HZ2 LYS 56 2HZ LYS 56 13.130 1.938 1.595 398 HZ3 LYS 56 3HZ LYS 56 12.481 3.452 1.982 399 H SER 57 H SER 57 6.092 5.255 -2.167 400 HA SER 57 HA SER 57 6.920 6.059 -4.817 401 HB2 SER 57 1HB SER 57 5.415 4.164 -4.613 402 HB3 SER 57 2HB SER 57 4.241 5.148 -3.739 403 HG SER 57 HG SER 57 3.607 5.045 -5.873 404 H MET 58 H MET 58 4.857 7.296 -2.239 405 HA MET 58 HA MET 58 4.753 9.868 -3.664 406 HB2 MET 58 1HB MET 58 2.487 10.230 -2.946 407 HB3 MET 58 2HB MET 58 2.564 8.676 -3.765 408 HG2 MET 58 1HG MET 58 2.347 7.481 -1.775 409 HG3 MET 58 2HG MET 58 2.772 8.876 -0.787 410 HE1 MET 58 1HE MET 58 -0.178 7.706 -3.397 411 HE2 MET 58 2HE MET 58 -1.040 9.240 -3.275 412 HE3 MET 58 3HE MET 58 0.631 9.209 -3.842 413 H HIS 59 H HIS 59 4.763 8.155 -0.593 414 HA HIS 59 HA HIS 59 5.100 10.632 0.898 415 HB2 HIS 59 1HB HIS 59 5.056 7.769 1.875 416 HB3 HIS 59 2HB HIS 59 5.026 9.208 2.890 417 HD1 HIS 59 1HD HIS 59 2.838 10.841 2.274 418 HD2 HIS 59 2HD HIS 59 2.588 6.784 1.413 419 HE1 HIS 59 1HE HIS 59 0.381 10.349 2.057 420 H ARG 60 H ARG 60 7.123 9.380 -1.028 421 HA ARG 60 HA ARG 60 9.335 8.352 0.223 422 HB2 ARG 60 1HB ARG 60 9.509 8.461 -2.090 423 HB3 ARG 60 2HB ARG 60 8.996 10.142 -2.151 424 HG2 ARG 60 1HG ARG 60 11.564 9.522 -0.800 425 HG3 ARG 60 2HG ARG 60 11.502 9.428 -2.561 426 HD2 ARG 60 1HD ARG 60 10.367 11.757 -2.385 427 HD3 ARG 60 2HD ARG 60 11.078 11.789 -0.772 428 HE ARG 60 HE ARG 60 13.193 11.166 -2.289 429 HH11 ARG 60 2HH1 ARG 60 10.748 13.621 -2.629 430 HH12 ARG 60 1HH1 ARG 60 11.796 14.737 -3.441 431 HH21 ARG 60 2HH2 ARG 60 14.582 12.627 -3.356 432 HH22 ARG 60 1HH2 ARG 60 13.977 14.170 -3.854 433 H GLU 61 H GLU 61 8.260 11.700 0.119 434 HA GLU 61 HA GLU 61 10.624 12.738 1.370 435 HB2 GLU 61 1HB GLU 61 7.907 13.909 0.793 436 HB3 GLU 61 2HB GLU 61 9.154 14.805 1.648 437 HG2 GLU 61 1HG GLU 61 10.540 14.900 -0.218 438 HG3 GLU 61 2HG GLU 61 9.693 13.585 -1.030 439 H GLU 62 H GLU 62 7.377 11.845 2.435 440 HA GLU 62 HA GLU 62 7.485 12.823 5.042 441 HB2 GLU 62 1HB GLU 62 5.552 11.675 3.679 442 HB3 GLU 62 2HB GLU 62 6.137 10.215 4.465 443 HG2 GLU 62 1HG GLU 62 5.442 10.875 6.529 444 HG3 GLU 62 2HG GLU 62 5.614 12.590 6.162 445 H LEU 63 H LEU 63 8.462 9.654 3.773 446 HA LEU 63 HA LEU 63 9.206 8.482 6.197 447 HB2 LEU 63 1HB LEU 63 10.417 8.042 3.472 448 HB3 LEU 63 2HB LEU 63 10.565 6.960 4.856 449 HG LEU 63 HG LEU 63 7.978 7.613 3.446 450 HD11 LEU 63 1HD1 LEU 63 10.009 6.080 2.451 451 HD12 LEU 63 2HD1 LEU 63 8.302 5.903 2.045 452 HD13 LEU 63 3HD1 LEU 63 9.019 4.889 3.296 453 HD21 LEU 63 1HD2 LEU 63 8.388 6.652 5.999 454 HD22 LEU 63 2HD2 LEU 63 8.129 5.191 5.046 455 HD23 LEU 63 3HD2 LEU 63 6.917 6.473 5.042 456 H GLU 64 H GLU 64 11.251 10.166 3.811 457 HA GLU 64 HA GLU 64 13.693 10.016 4.995 458 HB2 GLU 64 1HB GLU 64 12.411 12.340 3.566 459 HB3 GLU 64 2HB GLU 64 14.097 12.353 4.064 460 HG2 GLU 64 1HG GLU 64 14.434 10.282 2.720 461 HG3 GLU 64 2HG GLU 64 12.788 10.471 2.119 462 H LYS 65 H LYS 65 11.159 12.381 5.769 463 HA LYS 65 HA LYS 65 12.543 13.846 7.690 464 HB2 LYS 65 1HB LYS 65 9.609 13.233 7.367 465 HB3 LYS 65 2HB LYS 65 10.210 14.296 8.633 466 HG2 LYS 65 1HG LYS 65 11.306 15.642 6.786 467 HG3 LYS 65 2HG LYS 65 10.335 14.691 5.659 468 HD2 LYS 65 1HD LYS 65 9.165 16.242 7.963 469 HD3 LYS 65 2HD LYS 65 9.343 16.902 6.335 470 HE2 LYS 65 1HE LYS 65 7.924 14.304 6.802 471 HE3 LYS 65 2HE LYS 65 7.088 15.842 7.013 472 HZ1 LYS 65 1HZ LYS 65 6.995 14.688 4.739 473 HZ2 LYS 65 2HZ LYS 65 8.568 15.274 4.527 474 HZ3 LYS 65 3HZ LYS 65 7.290 16.353 4.782 475 H SER 66 H SER 66 10.548 10.936 8.072 476 HA SER 66 HA SER 66 10.769 10.769 10.878 477 HB2 SER 66 1HB SER 66 10.238 8.626 8.808 478 HB3 SER 66 2HB SER 66 10.090 8.379 10.548 479 HG SER 66 HG SER 66 8.151 9.050 9.193 480 H GLY 67 H GLY 67 12.473 8.913 8.346 481 HA2 GLY 67 1HA GLY 67 14.976 8.897 8.683 482 HA3 GLY 67 2HA GLY 67 14.603 8.392 10.325 483 H HIS 68 H HIS 68 13.145 7.351 7.263 484 HA HIS 68 HA HIS 68 14.113 4.627 7.838 485 HB2 HIS 68 1HB HIS 68 11.439 5.510 6.748 486 HB3 HIS 68 2HB HIS 68 12.004 3.843 6.686 487 HD1 HIS 68 1HD HIS 68 11.903 2.483 8.838 488 HD2 HIS 68 2HD HIS 68 10.792 6.454 9.343 489 HE1 HIS 68 1HE HIS 68 10.896 2.612 11.139 490 H GLY 69 H GLY 69 15.938 5.069 6.480 491 HA2 GLY 69 1HA GLY 69 15.717 5.903 3.790 492 HA3 GLY 69 2HA GLY 69 17.087 5.055 4.491 493 H GLN 70 H GLN 70 16.190 2.633 5.133 494 HA GLN 70 HA GLN 70 14.928 1.566 2.701 495 HB2 GLN 70 1HB GLN 70 17.527 0.794 3.960 496 HB3 GLN 70 2HB GLN 70 16.567 -0.444 3.162 497 HG2 GLN 70 1HG GLN 70 18.100 0.333 1.560 498 HG3 GLN 70 2HG GLN 70 16.545 1.044 1.132 499 HE21 GLN 70 1HE2 GLN 70 16.671 3.074 0.538 500 HE22 GLN 70 2HE2 GLN 70 17.811 4.240 1.108 501 H SER 71 H SER 71 15.973 0.741 6.004 502 HA SER 71 HA SER 71 14.906 -0.362 7.690 503 HB2 SER 71 1HB SER 71 12.932 1.037 6.932 504 HB3 SER 71 2HB SER 71 12.419 -0.351 5.973 505 HG SER 71 HG SER 71 12.287 0.063 8.689 506 H GLY 72 H GLY 72 16.403 -1.811 5.863 507 HA2 GLY 72 1HA GLY 72 16.178 -4.372 6.385 508 HA3 GLY 72 2HA GLY 72 14.840 -4.214 5.256 509 HA PRO 73 HA PRO 73 17.921 -5.317 2.251 510 HB2 PRO 73 1HB PRO 73 16.270 -5.215 0.098 511 HB3 PRO 73 2HB PRO 73 16.271 -6.560 1.245 512 HG2 PRO 73 1HG PRO 73 14.421 -4.212 1.080 513 HG3 PRO 73 2HG PRO 73 14.040 -5.918 1.373 514 HD2 PRO 73 1HD PRO 73 14.173 -4.092 3.368 515 HD3 PRO 73 2HD PRO 73 14.617 -5.795 3.601 516 H SER 74 H SER 74 19.369 -4.042 1.289 517 HA SER 74 HA SER 74 18.561 -1.320 0.537 518 HB2 SER 74 1HB SER 74 21.148 -2.536 1.437 519 HB3 SER 74 2HB SER 74 21.178 -1.070 0.457 520 HG SER 74 HG SER 74 19.729 -1.385 2.879 521 H SER 75 H SER 75 20.834 -3.828 -0.595 522 HA SER 75 HA SER 75 20.853 -2.731 -3.257 523 HB2 SER 75 1HB SER 75 22.114 -5.182 -2.023 524 HB3 SER 75 2HB SER 75 22.260 -4.801 -3.738 525 HG SER 75 HG SER 75 22.835 -2.667 -2.148 526 H GLY 76 H GLY 76 18.624 -2.887 -3.813 527 HA2 GLY 76 1HA GLY 76 17.553 -4.351 -5.549 528 HA3 GLY 76 2HA GLY 76 17.730 -5.647 -4.375 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.324 -17.595 15.616 2 HA2 GLY 1 1HA GLY 1 23.505 -16.525 13.116 3 HA3 GLY 1 2HA GLY 1 21.862 -17.146 13.178 4 H SER 2 H SER 2 20.457 -15.587 13.586 5 HA SER 2 HA SER 2 20.579 -13.992 15.919 6 HB2 SER 2 1HB SER 2 22.208 -12.643 14.838 7 HB3 SER 2 2HB SER 2 21.332 -12.679 13.308 8 HG SER 2 HG SER 2 20.868 -11.158 15.599 9 H SER 3 H SER 3 18.547 -13.571 16.474 10 HA SER 3 HA SER 3 16.368 -14.275 14.839 11 HB2 SER 3 1HB SER 3 14.985 -13.176 16.625 12 HB3 SER 3 2HB SER 3 16.136 -14.364 17.236 13 HG SER 3 HG SER 3 17.475 -12.179 17.282 14 H GLY 4 H GLY 4 16.443 -13.156 12.895 15 HA2 GLY 4 1HA GLY 4 16.731 -10.353 12.669 16 HA3 GLY 4 2HA GLY 4 16.078 -11.421 11.436 17 H SER 5 H SER 5 15.364 -8.750 13.054 18 HA SER 5 HA SER 5 12.680 -9.296 13.912 19 HB2 SER 5 1HB SER 5 14.128 -6.677 13.455 20 HB3 SER 5 2HB SER 5 12.532 -6.827 14.190 21 HG SER 5 HG SER 5 15.007 -7.268 15.270 22 H SER 6 H SER 6 10.817 -8.038 13.023 23 HA SER 6 HA SER 6 10.856 -8.225 10.098 24 HB2 SER 6 1HB SER 6 8.713 -8.443 12.177 25 HB3 SER 6 2HB SER 6 8.269 -7.957 10.541 26 HG SER 6 HG SER 6 9.935 -10.177 10.837 27 H GLY 7 H GLY 7 10.107 -6.561 8.775 28 HA2 GLY 7 1HA GLY 7 10.334 -3.905 9.979 29 HA3 GLY 7 2HA GLY 7 10.408 -4.276 8.263 30 H SER 8 H SER 8 8.024 -4.848 10.854 31 HA SER 8 HA SER 8 5.876 -4.180 9.024 32 HB2 SER 8 1HB SER 8 4.409 -4.784 10.965 33 HB3 SER 8 2HB SER 8 5.510 -6.072 10.477 34 HG SER 8 HG SER 8 6.465 -5.948 12.347 35 H GLU 9 H GLU 9 7.658 -2.046 9.663 36 HA GLU 9 HA GLU 9 6.335 -0.347 11.588 37 HB2 GLU 9 1HB GLU 9 8.847 -0.394 11.065 38 HB3 GLU 9 2HB GLU 9 8.442 0.519 9.619 39 HG2 GLU 9 1HG GLU 9 7.592 2.333 10.915 40 HG3 GLU 9 2HG GLU 9 7.732 1.400 12.405 41 H ALA 10 H ALA 10 6.554 -0.632 8.086 42 HA ALA 10 HA ALA 10 5.413 1.746 7.278 43 HB1 ALA 10 1HB ALA 10 5.215 -1.014 6.100 44 HB2 ALA 10 2HB ALA 10 4.555 0.416 5.306 45 HB3 ALA 10 3HB ALA 10 6.286 0.304 5.623 46 H TRP 11 H TRP 11 3.891 -1.051 8.709 47 HA TRP 11 HA TRP 11 1.240 -0.660 8.020 48 HB2 TRP 11 1HB TRP 11 2.625 -1.884 10.359 49 HB3 TRP 11 2HB TRP 11 0.892 -1.594 10.486 50 HD1 TRP 11 HD TRP 11 3.196 -4.209 9.484 51 HE1 TRP 11 1HE TRP 11 2.049 -5.957 7.983 52 HE3 TRP 11 3HE TRP 11 -1.031 -1.598 8.280 53 HZ2 TRP 11 2HZ TRP 11 -0.332 -6.197 6.485 54 HZ3 TRP 11 3HZ TRP 11 -2.693 -2.658 6.808 55 HH2 TRP 11 HH TRP 11 -2.349 -4.910 5.929 56 H GLU 12 H GLU 12 3.231 1.107 10.265 57 HA GLU 12 HA GLU 12 1.272 2.353 11.812 58 HB2 GLU 12 1HB GLU 12 3.941 3.445 10.903 59 HB3 GLU 12 2HB GLU 12 2.961 4.122 12.196 60 HG2 GLU 12 1HG GLU 12 3.880 1.275 12.275 61 HG3 GLU 12 2HG GLU 12 4.918 2.592 12.817 62 H TYR 13 H TYR 13 2.040 2.742 8.507 63 HA TYR 13 HA TYR 13 0.603 5.304 8.381 64 HB2 TYR 13 1HB TYR 13 2.268 3.984 6.230 65 HB3 TYR 13 2HB TYR 13 1.595 5.610 6.189 66 HD1 TYR 13 2HD TYR 13 4.180 3.463 7.681 67 HD2 TYR 13 1HD TYR 13 2.645 7.420 7.379 68 HE1 TYR 13 2HE TYR 13 6.239 4.334 8.705 69 HE2 TYR 13 1HE TYR 13 4.700 8.302 8.401 70 HH TYR 13 HH TYR 13 6.558 7.698 9.617 71 H PHE 14 H PHE 14 -0.435 2.428 8.576 72 HA PHE 14 HA PHE 14 -2.544 2.784 6.616 73 HB2 PHE 14 1HB PHE 14 -0.857 0.274 6.684 74 HB3 PHE 14 2HB PHE 14 -2.342 0.472 5.759 75 HD1 PHE 14 1HD PHE 14 1.066 1.891 6.173 76 HD2 PHE 14 2HD PHE 14 -2.268 1.298 3.594 77 HE1 PHE 14 1HE PHE 14 2.367 2.793 4.289 78 HE2 PHE 14 2HE PHE 14 -0.972 2.198 1.706 79 HZ PHE 14 HZ PHE 14 1.348 2.947 2.052 80 H HIS 15 H HIS 15 -4.378 1.347 6.994 81 HA HIS 15 HA HIS 15 -4.412 -0.010 9.579 82 HB2 HIS 15 1HB HIS 15 -6.027 1.282 10.566 83 HB3 HIS 15 2HB HIS 15 -5.233 2.522 9.599 84 HD1 HIS 15 1HD HIS 15 -8.103 0.066 9.070 85 HD2 HIS 15 2HD HIS 15 -7.029 3.991 8.233 86 HE1 HIS 15 1HE HIS 15 -10.077 1.062 7.873 87 H LEU 16 H LEU 16 -5.466 -1.883 9.455 88 HA LEU 16 HA LEU 16 -6.612 -2.777 7.033 89 HB2 LEU 16 1HB LEU 16 -6.682 -3.905 9.823 90 HB3 LEU 16 2HB LEU 16 -7.354 -4.736 8.422 91 HG LEU 16 HG LEU 16 -4.452 -3.972 8.731 92 HD11 LEU 16 1HD1 LEU 16 -3.982 -6.168 9.380 93 HD12 LEU 16 2HD1 LEU 16 -5.586 -6.743 8.925 94 HD13 LEU 16 3HD1 LEU 16 -5.387 -5.717 10.346 95 HD21 LEU 16 1HD2 LEU 16 -5.789 -5.819 6.759 96 HD22 LEU 16 2HD2 LEU 16 -4.085 -5.367 6.809 97 HD23 LEU 16 3HD2 LEU 16 -5.307 -4.159 6.408 98 H ALA 17 H ALA 17 -8.738 -3.170 6.456 99 HA ALA 17 HA ALA 17 -10.703 -1.511 7.828 100 HB1 ALA 17 1HB ALA 17 -10.192 -1.967 5.167 101 HB2 ALA 17 2HB ALA 17 -11.631 -2.942 5.468 102 HB3 ALA 17 3HB ALA 17 -11.645 -1.215 5.826 103 HA PRO 18 HA PRO 18 -12.947 -4.766 9.731 104 HB2 PRO 18 1HB PRO 18 -15.517 -3.951 9.408 105 HB3 PRO 18 2HB PRO 18 -14.394 -3.167 10.526 106 HG2 PRO 18 1HG PRO 18 -15.204 -2.341 7.765 107 HG3 PRO 18 2HG PRO 18 -15.002 -1.344 9.217 108 HD2 PRO 18 1HD PRO 18 -13.120 -1.489 7.276 109 HD3 PRO 18 2HD PRO 18 -12.711 -1.250 8.987 110 H ALA 19 H ALA 19 -13.896 -6.709 9.284 111 HA ALA 19 HA ALA 19 -14.848 -7.125 6.524 112 HB1 ALA 19 1HB ALA 19 -12.585 -8.206 7.509 113 HB2 ALA 19 2HB ALA 19 -13.749 -9.456 7.949 114 HB3 ALA 19 3HB ALA 19 -13.576 -8.967 6.264 115 H ARG 20 H ARG 20 -16.255 -9.108 6.323 116 HA ARG 20 HA ARG 20 -18.159 -9.130 8.557 117 HB2 ARG 20 1HB ARG 20 -19.783 -9.988 6.903 118 HB3 ARG 20 2HB ARG 20 -19.111 -8.430 6.440 119 HG2 ARG 20 1HG ARG 20 -17.552 -9.596 4.920 120 HG3 ARG 20 2HG ARG 20 -18.336 -11.121 5.336 121 HD2 ARG 20 1HD ARG 20 -20.007 -8.850 4.371 122 HD3 ARG 20 2HD ARG 20 -19.053 -9.763 3.202 123 HE ARG 20 HE ARG 20 -20.324 -11.713 4.534 124 HH11 ARG 20 2HH1 ARG 20 -21.458 -8.752 3.097 125 HH12 ARG 20 1HH1 ARG 20 -23.031 -9.380 2.731 126 HH21 ARG 20 2HH2 ARG 20 -22.391 -12.551 4.058 127 HH22 ARG 20 1HH2 ARG 20 -23.561 -11.540 3.280 128 H ALA 21 H ALA 21 -19.054 -11.093 9.304 129 HA ALA 21 HA ALA 21 -17.481 -13.117 10.020 130 HB1 ALA 21 1HB ALA 21 -19.362 -14.450 10.412 131 HB2 ALA 21 2HB ALA 21 -19.978 -12.798 10.476 132 HB3 ALA 21 3HB ALA 21 -20.236 -13.781 9.034 133 H GLY 22 H GLY 22 -15.970 -14.086 8.804 134 HA2 GLY 22 1HA GLY 22 -16.051 -16.181 7.290 135 HA3 GLY 22 2HA GLY 22 -16.719 -15.046 6.126 136 H HIS 23 H HIS 23 -15.348 -13.095 5.677 137 HA HIS 23 HA HIS 23 -12.653 -13.986 5.129 138 HB2 HIS 23 1HB HIS 23 -13.833 -11.279 4.505 139 HB3 HIS 23 2HB HIS 23 -12.464 -12.065 3.724 140 HD1 HIS 23 1HD HIS 23 -16.099 -11.688 3.523 141 HD2 HIS 23 2HD HIS 23 -13.229 -14.308 2.053 142 HE1 HIS 23 1HE HIS 23 -17.226 -12.943 1.657 143 H HIS 24 H HIS 24 -10.772 -13.140 5.943 144 HA HIS 24 HA HIS 24 -10.946 -11.911 8.533 145 HB2 HIS 24 1HB HIS 24 -8.352 -11.917 8.216 146 HB3 HIS 24 2HB HIS 24 -9.204 -13.442 8.438 147 HD1 HIS 24 1HD HIS 24 -7.865 -11.307 5.594 148 HD2 HIS 24 2HD HIS 24 -8.705 -15.274 6.500 149 HE1 HIS 24 1HE HIS 24 -7.032 -12.636 3.629 150 HA PRO 25 HA PRO 25 -10.392 -7.681 7.515 151 HB2 PRO 25 1HB PRO 25 -8.750 -6.828 9.502 152 HB3 PRO 25 2HB PRO 25 -10.449 -7.237 9.769 153 HG2 PRO 25 1HG PRO 25 -8.002 -8.880 10.288 154 HG3 PRO 25 2HG PRO 25 -9.443 -8.669 11.299 155 HD2 PRO 25 1HD PRO 25 -9.062 -10.853 9.744 156 HD3 PRO 25 2HD PRO 25 -10.675 -10.191 10.083 157 H ASN 26 H ASN 26 -7.998 -9.878 7.044 158 HA ASN 26 HA ASN 26 -5.922 -7.932 6.371 159 HB2 ASN 26 1HB ASN 26 -5.725 -10.930 6.103 160 HB3 ASN 26 2HB ASN 26 -4.413 -9.762 6.222 161 HD21 ASN 26 1HD2 ASN 26 -4.647 -8.359 8.302 162 HD22 ASN 26 2HD2 ASN 26 -4.897 -9.264 9.752 163 H GLN 27 H GLN 27 -8.148 -7.692 4.782 164 HA GLN 27 HA GLN 27 -7.519 -9.084 2.284 165 HB2 GLN 27 1HB GLN 27 -9.680 -8.296 1.492 166 HB3 GLN 27 2HB GLN 27 -9.860 -9.105 3.043 167 HG2 GLN 27 1HG GLN 27 -9.566 -6.134 2.902 168 HG3 GLN 27 2HG GLN 27 -11.126 -6.904 2.615 169 HE21 GLN 27 1HE2 GLN 27 -11.693 -8.584 4.338 170 HE22 GLN 27 2HE2 GLN 27 -11.428 -8.100 5.975 171 H TYR 28 H TYR 28 -7.655 -5.884 3.715 172 HA TYR 28 HA TYR 28 -5.947 -4.856 1.624 173 HB2 TYR 28 1HB TYR 28 -8.778 -3.890 1.984 174 HB3 TYR 28 2HB TYR 28 -7.533 -2.868 1.276 175 HD1 TYR 28 2HD TYR 28 -9.514 -5.938 0.819 176 HD2 TYR 28 1HD TYR 28 -6.741 -3.243 -0.954 177 HE1 TYR 28 2HE TYR 28 -9.926 -6.968 -1.376 178 HE2 TYR 28 1HE TYR 28 -7.146 -4.264 -3.155 179 HH TYR 28 HH TYR 28 -9.580 -5.868 -4.017 180 H ALA 29 H ALA 29 -5.204 -2.641 2.098 181 HA ALA 29 HA ALA 29 -5.378 -2.015 4.974 182 HB1 ALA 29 1HB ALA 29 -3.046 -1.340 4.939 183 HB2 ALA 29 2HB ALA 29 -3.209 -3.017 4.414 184 HB3 ALA 29 3HB ALA 29 -2.937 -1.743 3.225 185 H THR 30 H THR 30 -5.770 0.059 5.517 186 HA THR 30 HA THR 30 -6.148 1.963 3.315 187 HB THR 30 HB THR 30 -7.155 2.261 6.145 188 HG1 THR 30 1HG THR 30 -8.826 1.041 5.628 189 HG21 THR 30 1HG2 THR 30 -7.006 4.113 4.162 190 HG22 THR 30 2HG2 THR 30 -8.219 4.122 5.443 191 HG23 THR 30 3HG2 THR 30 -8.604 3.429 3.868 192 H CYS 31 H CYS 31 -4.471 3.264 2.980 193 HA CYS 31 HA CYS 31 -2.391 3.760 4.778 194 HB2 CYS 31 1HB CYS 31 -2.386 4.110 2.263 195 HB3 CYS 31 2HB CYS 31 -3.227 5.627 2.559 196 H ARG 32 H ARG 32 -2.219 5.036 6.497 197 HA ARG 32 HA ARG 32 -4.426 6.760 7.223 198 HB2 ARG 32 1HB ARG 32 -1.836 6.220 8.688 199 HB3 ARG 32 2HB ARG 32 -3.253 7.027 9.348 200 HG2 ARG 32 1HG ARG 32 -4.526 5.025 9.289 201 HG3 ARG 32 2HG ARG 32 -3.291 4.195 8.341 202 HD2 ARG 32 1HD ARG 32 -1.931 3.869 10.144 203 HD3 ARG 32 2HD ARG 32 -2.486 5.328 10.963 204 HE ARG 32 HE ARG 32 -4.649 3.665 10.995 205 HH11 ARG 32 2HH1 ARG 32 -1.342 3.423 12.058 206 HH12 ARG 32 1HH1 ARG 32 -1.703 2.340 13.360 207 HH21 ARG 32 2HH2 ARG 32 -5.136 2.238 12.706 208 HH22 ARG 32 1HH2 ARG 32 -3.862 1.665 13.728 209 H LEU 33 H LEU 33 -1.891 7.177 5.240 210 HA LEU 33 HA LEU 33 -1.188 9.870 6.122 211 HB2 LEU 33 1HB LEU 33 -0.147 8.115 3.909 212 HB3 LEU 33 2HB LEU 33 0.383 9.776 4.164 213 HG LEU 33 HG LEU 33 0.712 7.540 6.163 214 HD11 LEU 33 1HD1 LEU 33 2.837 7.173 5.407 215 HD12 LEU 33 2HD1 LEU 33 2.988 8.784 4.706 216 HD13 LEU 33 3HD1 LEU 33 2.031 7.551 3.885 217 HD21 LEU 33 1HD2 LEU 33 0.851 10.357 6.421 218 HD22 LEU 33 2HD2 LEU 33 2.496 9.727 6.518 219 HD23 LEU 33 3HD2 LEU 33 1.254 9.124 7.616 220 H CYS 34 H CYS 34 -2.450 8.257 3.209 221 HA CYS 34 HA CYS 34 -3.653 10.831 2.423 222 HB2 CYS 34 1HB CYS 34 -3.487 10.109 0.099 223 HB3 CYS 34 2HB CYS 34 -1.900 10.077 0.862 224 H GLY 35 H GLY 35 -4.096 7.348 2.673 225 HA2 GLY 35 1HA GLY 35 -6.237 6.505 3.419 226 HA3 GLY 35 2HA GLY 35 -7.005 7.801 2.514 227 H ARG 36 H ARG 36 -4.367 6.045 1.104 228 HA ARG 36 HA ARG 36 -6.164 5.043 -0.954 229 HB2 ARG 36 1HB ARG 36 -3.155 5.140 -0.735 230 HB3 ARG 36 2HB ARG 36 -3.999 4.375 -2.075 231 HG2 ARG 36 1HG ARG 36 -4.759 7.160 -1.443 232 HG3 ARG 36 2HG ARG 36 -3.156 6.903 -2.135 233 HD2 ARG 36 1HD ARG 36 -4.361 7.118 -4.058 234 HD3 ARG 36 2HD ARG 36 -4.521 5.379 -3.810 235 HE ARG 36 HE ARG 36 -6.596 7.391 -3.485 236 HH11 ARG 36 2HH1 ARG 36 -5.594 4.083 -3.077 237 HH12 ARG 36 1HH1 ARG 36 -7.209 3.474 -2.934 238 HH21 ARG 36 2HH2 ARG 36 -8.728 6.602 -3.297 239 HH22 ARG 36 1HH2 ARG 36 -8.992 4.908 -3.060 240 H GLN 37 H GLN 37 -6.633 2.938 -1.312 241 HA GLN 37 HA GLN 37 -6.052 1.061 0.790 242 HB2 GLN 37 1HB GLN 37 -7.486 0.572 -1.824 243 HB3 GLN 37 2HB GLN 37 -7.541 -0.440 -0.386 244 HG2 GLN 37 1HG GLN 37 -8.584 1.476 0.826 245 HG3 GLN 37 2HG GLN 37 -8.681 2.321 -0.718 246 HE21 GLN 37 1HE2 GLN 37 -10.863 1.599 0.963 247 HE22 GLN 37 2HE2 GLN 37 -11.865 0.510 0.071 248 H VAL 38 H VAL 38 -4.405 -0.309 0.857 249 HA VAL 38 HA VAL 38 -3.090 -1.060 -1.672 250 HB VAL 38 HB VAL 38 -1.720 -0.503 0.964 251 HG11 VAL 38 1HG1 VAL 38 -0.433 -1.150 -1.678 252 HG12 VAL 38 2HG1 VAL 38 0.332 -1.039 -0.092 253 HG13 VAL 38 3HG1 VAL 38 -0.771 -2.368 -0.449 254 HG21 VAL 38 1HG2 VAL 38 -0.604 1.309 -0.377 255 HG22 VAL 38 2HG2 VAL 38 -1.806 1.019 -1.634 256 HG23 VAL 38 3HG2 VAL 38 -2.315 1.570 -0.038 257 H SER 39 H SER 39 -3.522 -3.140 -2.002 258 HA SER 39 HA SER 39 -3.927 -4.950 0.230 259 HB2 SER 39 1HB SER 39 -4.575 -6.583 -1.479 260 HB3 SER 39 2HB SER 39 -5.425 -5.058 -1.728 261 HG SER 39 HG SER 39 -3.125 -5.963 -3.125 262 H ARG 40 H ARG 40 -2.602 -6.598 0.831 263 HA ARG 40 HA ARG 40 0.036 -6.687 -0.473 264 HB2 ARG 40 1HB ARG 40 0.867 -7.571 1.696 265 HB3 ARG 40 2HB ARG 40 0.195 -5.951 1.819 266 HG2 ARG 40 1HG ARG 40 -1.751 -6.726 2.891 267 HG3 ARG 40 2HG ARG 40 -1.407 -8.405 2.467 268 HD2 ARG 40 1HD ARG 40 0.597 -6.936 4.095 269 HD3 ARG 40 2HD ARG 40 -0.903 -7.428 4.880 270 HE ARG 40 HE ARG 40 0.127 -9.629 3.498 271 HH11 ARG 40 2HH1 ARG 40 0.911 -7.610 6.224 272 HH12 ARG 40 1HH1 ARG 40 1.767 -8.858 7.068 273 HH21 ARG 40 2HH2 ARG 40 1.251 -11.280 4.599 274 HH22 ARG 40 1HH2 ARG 40 1.961 -10.944 6.142 275 H GLY 41 H GLY 41 -2.525 -8.674 0.950 276 HA2 GLY 41 1HA GLY 41 -3.170 -10.692 -0.265 277 HA3 GLY 41 2HA GLY 41 -1.465 -10.956 -0.596 278 HA PRO 42 HA PRO 42 -2.980 -13.173 3.339 279 HB2 PRO 42 1HB PRO 42 -3.125 -15.695 2.345 280 HB3 PRO 42 2HB PRO 42 -4.499 -14.583 2.346 281 HG2 PRO 42 1HG PRO 42 -2.612 -15.261 0.123 282 HG3 PRO 42 2HG PRO 42 -4.375 -15.072 0.076 283 HD2 PRO 42 1HD PRO 42 -2.679 -13.128 -0.748 284 HD3 PRO 42 2HD PRO 42 -4.253 -12.772 -0.006 285 H GLY 43 H GLY 43 -0.939 -14.627 0.789 286 HA2 GLY 43 1HA GLY 43 1.013 -15.345 2.874 287 HA3 GLY 43 2HA GLY 43 0.897 -16.096 1.290 288 H VAL 44 H VAL 44 1.909 -13.215 3.028 289 HA VAL 44 HA VAL 44 3.709 -12.590 0.780 290 HB VAL 44 HB VAL 44 2.254 -10.614 2.542 291 HG11 VAL 44 1HG1 VAL 44 4.775 -10.326 1.442 292 HG12 VAL 44 2HG1 VAL 44 3.712 -9.521 0.286 293 HG13 VAL 44 3HG1 VAL 44 3.713 -9.026 1.979 294 HG21 VAL 44 1HG2 VAL 44 2.016 -10.319 -0.338 295 HG22 VAL 44 2HG2 VAL 44 1.405 -11.871 0.233 296 HG23 VAL 44 3HG2 VAL 44 0.761 -10.371 0.900 297 H ASN 45 H ASN 45 5.601 -13.363 1.548 298 HA ASN 45 HA ASN 45 6.488 -12.377 4.180 299 HB2 ASN 45 1HB ASN 45 7.900 -14.390 4.346 300 HB3 ASN 45 2HB ASN 45 6.195 -14.806 4.201 301 HD21 ASN 45 1HD2 ASN 45 5.437 -15.302 1.982 302 HD22 ASN 45 2HD2 ASN 45 6.506 -16.179 0.946 303 H VAL 46 H VAL 46 7.302 -10.480 3.120 304 HA VAL 46 HA VAL 46 9.887 -10.967 1.800 305 HB VAL 46 HB VAL 46 9.537 -9.003 0.373 306 HG11 VAL 46 1HG1 VAL 46 7.758 -9.986 -1.094 307 HG12 VAL 46 2HG1 VAL 46 9.024 -11.115 -0.608 308 HG13 VAL 46 3HG1 VAL 46 7.447 -11.164 0.181 309 HG21 VAL 46 1HG2 VAL 46 6.842 -8.951 1.709 310 HG22 VAL 46 2HG2 VAL 46 8.043 -7.662 1.621 311 HG23 VAL 46 3HG2 VAL 46 7.161 -8.145 0.173 312 H GLY 47 H GLY 47 11.209 -8.842 1.773 313 HA2 GLY 47 1HA GLY 47 11.399 -7.967 4.522 314 HA3 GLY 47 2HA GLY 47 12.501 -7.558 3.215 315 H THR 48 H THR 48 10.534 -6.527 1.420 316 HA THR 48 HA THR 48 9.993 -3.978 2.773 317 HB THR 48 HB THR 48 10.224 -4.621 -0.172 318 HG1 THR 48 1HG THR 48 12.238 -4.067 0.124 319 HG21 THR 48 1HG2 THR 48 8.535 -2.857 0.313 320 HG22 THR 48 2HG2 THR 48 9.925 -2.268 -0.599 321 HG23 THR 48 3HG2 THR 48 9.795 -1.930 1.126 322 H THR 49 H THR 49 8.008 -4.245 3.697 323 HA THR 49 HA THR 49 5.833 -5.648 2.752 324 HB THR 49 HB THR 49 5.385 -3.022 4.128 325 HG1 THR 49 1HG THR 49 6.903 -5.175 5.044 326 HG21 THR 49 1HG2 THR 49 4.128 -5.743 4.119 327 HG22 THR 49 2HG2 THR 49 3.379 -4.167 3.857 328 HG23 THR 49 3HG2 THR 49 3.878 -4.649 5.478 329 H ALA 50 H ALA 50 4.431 -5.409 1.133 330 HA ALA 50 HA ALA 50 4.671 -3.868 -1.041 331 HB1 ALA 50 1HB ALA 50 2.145 -3.987 -1.277 332 HB2 ALA 50 2HB ALA 50 2.994 -5.518 -1.060 333 HB3 ALA 50 3HB ALA 50 2.141 -4.784 0.297 334 H LEU 51 H LEU 51 3.302 -2.819 2.015 335 HA LEU 51 HA LEU 51 2.135 -0.416 1.204 336 HB2 LEU 51 1HB LEU 51 3.543 -0.856 3.826 337 HB3 LEU 51 2HB LEU 51 2.212 0.250 3.490 338 HG LEU 51 HG LEU 51 1.946 -2.748 3.352 339 HD11 LEU 51 1HD1 LEU 51 0.642 -2.235 5.566 340 HD12 LEU 51 2HD1 LEU 51 1.757 -0.873 5.658 341 HD13 LEU 51 3HD1 LEU 51 2.383 -2.520 5.590 342 HD21 LEU 51 1HD2 LEU 51 -0.327 -2.402 3.138 343 HD22 LEU 51 2HD2 LEU 51 0.335 -1.077 2.180 344 HD23 LEU 51 3HD2 LEU 51 -0.251 -0.776 3.816 345 H TRP 52 H TRP 52 5.403 -0.978 2.510 346 HA TRP 52 HA TRP 52 6.471 1.498 2.529 347 HB2 TRP 52 1HB TRP 52 7.683 -1.099 1.607 348 HB3 TRP 52 2HB TRP 52 8.632 0.384 1.670 349 HD1 TRP 52 HD TRP 52 7.417 -2.422 3.814 350 HE1 TRP 52 1HE TRP 52 8.119 -2.027 6.259 351 HE3 TRP 52 3HE TRP 52 8.958 2.439 3.441 352 HZ2 TRP 52 2HZ TRP 52 9.184 0.068 7.822 353 HZ3 TRP 52 3HZ TRP 52 9.804 3.566 5.458 354 HH2 TRP 52 HH TRP 52 9.913 2.404 7.603 355 H LYS 53 H LYS 53 6.313 -0.554 -0.380 356 HA LYS 53 HA LYS 53 7.470 1.079 -2.234 357 HB2 LYS 53 1HB LYS 53 5.166 -0.831 -2.411 358 HB3 LYS 53 2HB LYS 53 5.633 0.107 -3.823 359 HG2 LYS 53 1HG LYS 53 6.746 -1.945 -4.032 360 HG3 LYS 53 2HG LYS 53 7.972 -0.802 -3.480 361 HD2 LYS 53 1HD LYS 53 8.084 -1.732 -1.376 362 HD3 LYS 53 2HD LYS 53 6.445 -2.381 -1.461 363 HE2 LYS 53 1HE LYS 53 8.833 -3.403 -2.997 364 HE3 LYS 53 2HE LYS 53 8.133 -4.155 -1.564 365 HZ1 LYS 53 1HZ LYS 53 6.902 -3.870 -4.244 366 HZ2 LYS 53 2HZ LYS 53 6.016 -4.312 -2.873 367 HZ3 LYS 53 3HZ LYS 53 7.275 -5.299 -3.420 368 H HIS 54 H HIS 54 4.142 1.259 -1.037 369 HA HIS 54 HA HIS 54 3.356 3.392 -2.743 370 HB2 HIS 54 1HB HIS 54 1.687 1.943 -1.740 371 HB3 HIS 54 2HB HIS 54 2.196 2.423 -0.123 372 HD1 HIS 54 1HD HIS 54 0.731 4.054 -3.232 373 HD2 HIS 54 2HD HIS 54 0.743 4.464 0.902 374 HE1 HIS 54 1HE HIS 54 -0.886 5.915 -2.736 375 H LEU 55 H LEU 55 4.602 3.236 0.562 376 HA LEU 55 HA LEU 55 4.287 5.953 1.205 377 HB2 LEU 55 1HB LEU 55 6.262 3.901 2.184 378 HB3 LEU 55 2HB LEU 55 6.096 5.511 2.882 379 HG LEU 55 HG LEU 55 3.788 3.589 2.766 380 HD11 LEU 55 1HD1 LEU 55 4.505 2.411 4.522 381 HD12 LEU 55 2HD1 LEU 55 5.154 3.836 5.333 382 HD13 LEU 55 3HD1 LEU 55 6.109 3.012 4.100 383 HD21 LEU 55 1HD2 LEU 55 3.260 5.927 3.191 384 HD22 LEU 55 2HD2 LEU 55 4.427 5.965 4.514 385 HD23 LEU 55 3HD2 LEU 55 2.986 4.953 4.637 386 H LYS 56 H LYS 56 7.059 4.190 -0.148 387 HA LYS 56 HA LYS 56 8.655 6.561 -0.409 388 HB2 LYS 56 1HB LYS 56 9.099 3.907 -1.777 389 HB3 LYS 56 2HB LYS 56 10.296 5.147 -1.431 390 HG2 LYS 56 1HG LYS 56 10.503 4.541 0.750 391 HG3 LYS 56 2HG LYS 56 8.836 3.973 0.866 392 HD2 LYS 56 1HD LYS 56 9.899 1.959 0.888 393 HD3 LYS 56 2HD LYS 56 9.740 2.164 -0.858 394 HE2 LYS 56 1HE LYS 56 12.150 3.288 0.468 395 HE3 LYS 56 2HE LYS 56 12.051 1.538 0.284 396 HZ1 LYS 56 1HZ LYS 56 12.609 1.736 -1.834 397 HZ2 LYS 56 2HZ LYS 56 12.803 3.404 -1.629 398 HZ3 LYS 56 3HZ LYS 56 11.313 2.782 -2.134 399 H SER 57 H SER 57 6.079 5.317 -2.141 400 HA SER 57 HA SER 57 6.952 6.166 -4.762 401 HB2 SER 57 1HB SER 57 5.462 4.254 -4.614 402 HB3 SER 57 2HB SER 57 4.261 5.215 -3.751 403 HG SER 57 HG SER 57 3.604 6.020 -5.582 404 H MET 58 H MET 58 4.718 7.307 -2.266 405 HA MET 58 HA MET 58 4.634 9.905 -3.651 406 HB2 MET 58 1HB MET 58 2.361 10.224 -2.964 407 HB3 MET 58 2HB MET 58 2.467 8.656 -3.753 408 HG2 MET 58 1HG MET 58 2.202 7.494 -1.772 409 HG3 MET 58 2HG MET 58 2.698 8.866 -0.784 410 HE1 MET 58 1HE MET 58 0.487 9.373 -3.778 411 HE2 MET 58 2HE MET 58 -0.300 7.847 -3.370 412 HE3 MET 58 3HE MET 58 -1.169 9.369 -3.171 413 H HIS 59 H HIS 59 4.734 8.169 -0.606 414 HA HIS 59 HA HIS 59 5.024 10.658 0.894 415 HB2 HIS 59 1HB HIS 59 4.955 7.801 1.886 416 HB3 HIS 59 2HB HIS 59 4.912 9.247 2.889 417 HD1 HIS 59 1HD HIS 59 2.729 10.854 2.331 418 HD2 HIS 59 2HD HIS 59 2.500 6.837 1.294 419 HE1 HIS 59 1HE HIS 59 0.276 10.369 2.056 420 H ARG 60 H ARG 60 7.069 9.605 -1.011 421 HA ARG 60 HA ARG 60 9.267 8.480 0.233 422 HB2 ARG 60 1HB ARG 60 9.284 8.732 -2.136 423 HB3 ARG 60 2HB ARG 60 9.088 10.476 -2.020 424 HG2 ARG 60 1HG ARG 60 11.302 10.784 -1.292 425 HG3 ARG 60 2HG ARG 60 11.511 9.064 -0.954 426 HD2 ARG 60 1HD ARG 60 11.170 8.663 -3.422 427 HD3 ARG 60 2HD ARG 60 11.285 10.409 -3.637 428 HE ARG 60 HE ARG 60 13.551 10.272 -3.312 429 HH11 ARG 60 2HH1 ARG 60 12.057 7.286 -2.324 430 HH12 ARG 60 1HH1 ARG 60 13.561 6.451 -2.116 431 HH21 ARG 60 2HH2 ARG 60 15.537 9.183 -3.043 432 HH22 ARG 60 1HH2 ARG 60 15.540 7.532 -2.524 433 H GLU 61 H GLU 61 8.115 11.787 0.312 434 HA GLU 61 HA GLU 61 10.476 12.853 1.539 435 HB2 GLU 61 1HB GLU 61 7.686 13.945 1.180 436 HB3 GLU 61 2HB GLU 61 8.973 14.845 1.971 437 HG2 GLU 61 1HG GLU 61 10.248 14.956 -0.013 438 HG3 GLU 61 2HG GLU 61 9.227 13.765 -0.818 439 H GLU 62 H GLU 62 7.246 11.935 2.688 440 HA GLU 62 HA GLU 62 7.498 12.701 5.344 441 HB2 GLU 62 1HB GLU 62 5.869 10.685 3.887 442 HB3 GLU 62 2HB GLU 62 5.949 10.540 5.637 443 HG2 GLU 62 1HG GLU 62 4.007 11.833 4.864 444 HG3 GLU 62 2HG GLU 62 5.076 12.758 5.917 445 H LEU 63 H LEU 63 8.230 9.530 3.895 446 HA LEU 63 HA LEU 63 9.089 8.198 6.154 447 HB2 LEU 63 1HB LEU 63 10.243 7.982 3.377 448 HB3 LEU 63 2HB LEU 63 10.406 6.784 4.660 449 HG LEU 63 HG LEU 63 7.837 7.567 3.282 450 HD11 LEU 63 1HD1 LEU 63 9.839 5.960 2.326 451 HD12 LEU 63 2HD1 LEU 63 8.141 5.876 1.858 452 HD13 LEU 63 3HD1 LEU 63 8.762 4.807 3.115 453 HD21 LEU 63 1HD2 LEU 63 6.803 6.700 5.044 454 HD22 LEU 63 2HD2 LEU 63 8.342 6.280 5.798 455 HD23 LEU 63 3HD2 LEU 63 7.569 5.152 4.682 456 H GLU 64 H GLU 64 11.262 9.762 3.789 457 HA GLU 64 HA GLU 64 13.625 9.569 5.137 458 HB2 GLU 64 1HB GLU 64 12.651 11.931 3.521 459 HB3 GLU 64 2HB GLU 64 14.326 11.641 3.967 460 HG2 GLU 64 1HG GLU 64 14.310 9.561 2.690 461 HG3 GLU 64 2HG GLU 64 12.630 9.850 2.242 462 H LYS 65 H LYS 65 11.164 12.089 5.549 463 HA LYS 65 HA LYS 65 12.465 13.745 7.335 464 HB2 LYS 65 1HB LYS 65 10.269 14.242 6.339 465 HB3 LYS 65 2HB LYS 65 9.534 12.998 7.341 466 HG2 LYS 65 1HG LYS 65 9.712 14.248 9.263 467 HG3 LYS 65 2HG LYS 65 11.044 15.220 8.635 468 HD2 LYS 65 1HD LYS 65 9.119 16.620 8.697 469 HD3 LYS 65 2HD LYS 65 9.416 16.220 7.004 470 HE2 LYS 65 1HE LYS 65 7.758 14.239 7.547 471 HE3 LYS 65 2HE LYS 65 7.225 15.338 8.818 472 HZ1 LYS 65 1HZ LYS 65 7.503 16.417 6.115 473 HZ2 LYS 65 2HZ LYS 65 6.390 16.812 7.326 474 HZ3 LYS 65 3HZ LYS 65 6.187 15.398 6.418 475 H SER 66 H SER 66 10.552 10.837 8.037 476 HA SER 66 HA SER 66 11.226 11.002 10.859 477 HB2 SER 66 1HB SER 66 9.483 9.145 9.243 478 HB3 SER 66 2HB SER 66 9.860 8.834 10.937 479 HG SER 66 HG SER 66 8.186 10.079 11.251 480 H GLY 67 H GLY 67 13.143 10.347 8.535 481 HA2 GLY 67 1HA GLY 67 15.004 9.036 8.242 482 HA3 GLY 67 2HA GLY 67 14.873 8.670 9.956 483 H HIS 68 H HIS 68 13.358 7.805 6.850 484 HA HIS 68 HA HIS 68 13.265 5.018 7.800 485 HB2 HIS 68 1HB HIS 68 11.170 6.685 6.505 486 HB3 HIS 68 2HB HIS 68 11.265 4.994 6.023 487 HD1 HIS 68 1HD HIS 68 8.965 4.545 7.153 488 HD2 HIS 68 2HD HIS 68 11.947 5.806 9.757 489 HE1 HIS 68 1HE HIS 68 8.087 4.071 9.461 490 H GLY 69 H GLY 69 15.330 4.723 6.782 491 HA2 GLY 69 1HA GLY 69 15.078 4.397 3.859 492 HA3 GLY 69 2HA GLY 69 16.520 5.110 4.567 493 H GLN 70 H GLN 70 16.743 3.396 6.813 494 HA GLN 70 HA GLN 70 18.405 1.436 5.984 495 HB2 GLN 70 1HB GLN 70 16.629 1.678 8.366 496 HB3 GLN 70 2HB GLN 70 17.445 0.144 8.095 497 HG2 GLN 70 1HG GLN 70 18.938 2.742 8.122 498 HG3 GLN 70 2HG GLN 70 18.587 1.850 9.601 499 HE21 GLN 70 1HE2 GLN 70 20.588 1.203 10.152 500 HE22 GLN 70 2HE2 GLN 70 21.588 0.181 9.182 501 H SER 71 H SER 71 14.932 1.377 5.844 502 HA SER 71 HA SER 71 14.752 -1.447 5.308 503 HB2 SER 71 1HB SER 71 12.387 -1.064 5.017 504 HB3 SER 71 2HB SER 71 12.925 -0.131 6.413 505 HG SER 71 HG SER 71 11.890 1.390 5.345 506 H GLY 72 H GLY 72 16.533 -0.898 3.562 507 HA2 GLY 72 1HA GLY 72 15.241 -1.260 1.024 508 HA3 GLY 72 2HA GLY 72 16.043 0.298 1.153 509 HA PRO 73 HA PRO 73 19.598 -2.928 1.592 510 HB2 PRO 73 1HB PRO 73 18.938 -5.554 1.395 511 HB3 PRO 73 2HB PRO 73 18.953 -4.680 2.932 512 HG2 PRO 73 1HG PRO 73 16.637 -5.354 1.159 513 HG3 PRO 73 2HG PRO 73 16.759 -5.449 2.925 514 HD2 PRO 73 1HD PRO 73 15.527 -3.397 1.659 515 HD3 PRO 73 2HD PRO 73 16.386 -3.191 3.199 516 H SER 74 H SER 74 20.309 -2.264 -0.395 517 HA SER 74 HA SER 74 20.127 -4.144 -2.552 518 HB2 SER 74 1HB SER 74 18.940 -1.388 -2.964 519 HB3 SER 74 2HB SER 74 19.155 -2.620 -4.207 520 HG SER 74 HG SER 74 17.144 -2.324 -2.450 521 H SER 75 H SER 75 21.511 -3.546 -4.374 522 HA SER 75 HA SER 75 24.007 -2.614 -3.567 523 HB2 SER 75 1HB SER 75 23.700 -4.050 -5.530 524 HB3 SER 75 2HB SER 75 22.870 -2.742 -6.372 525 HG SER 75 HG SER 75 25.154 -1.749 -5.560 526 H GLY 76 H GLY 76 24.388 -0.625 -2.824 527 HA2 GLY 76 1HA GLY 76 24.663 1.659 -2.854 528 HA3 GLY 76 2HA GLY 76 24.193 1.630 -4.547 Start of MODEL 8 1 H1 GLY 1 H GLY 1 13.632 -21.791 11.566 2 HA2 GLY 1 1HA GLY 1 15.612 -21.367 10.479 3 HA3 GLY 1 2HA GLY 1 14.608 -20.493 9.332 4 H SER 2 H SER 2 16.845 -19.368 9.315 5 HA SER 2 HA SER 2 17.582 -17.663 11.430 6 HB2 SER 2 1HB SER 2 18.129 -17.271 8.478 7 HB3 SER 2 2HB SER 2 19.029 -16.560 9.818 8 HG SER 2 HG SER 2 18.785 -19.331 9.789 9 H SER 3 H SER 3 15.668 -16.651 12.143 10 HA SER 3 HA SER 3 14.368 -14.783 10.310 11 HB2 SER 3 1HB SER 3 13.136 -16.370 11.957 12 HB3 SER 3 2HB SER 3 13.583 -15.186 13.185 13 HG SER 3 HG SER 3 12.328 -13.693 12.227 14 H GLY 4 H GLY 4 14.100 -12.559 10.823 15 HA2 GLY 4 1HA GLY 4 14.885 -11.060 12.899 16 HA3 GLY 4 2HA GLY 4 16.429 -11.443 12.152 17 H SER 5 H SER 5 15.635 -11.376 9.454 18 HA SER 5 HA SER 5 15.725 -8.554 9.003 19 HB2 SER 5 1HB SER 5 15.794 -9.160 6.615 20 HB3 SER 5 2HB SER 5 16.945 -10.112 7.552 21 HG SER 5 HG SER 5 14.812 -11.540 7.607 22 H SER 6 H SER 6 13.724 -7.904 9.979 23 HA SER 6 HA SER 6 11.410 -8.343 8.208 24 HB2 SER 6 1HB SER 6 11.301 -7.977 11.211 25 HB3 SER 6 2HB SER 6 9.930 -8.260 10.139 26 HG SER 6 HG SER 6 10.323 -10.306 10.298 27 H GLY 7 H GLY 7 9.782 -6.582 8.320 28 HA2 GLY 7 1HA GLY 7 10.575 -4.031 9.375 29 HA3 GLY 7 2HA GLY 7 10.777 -4.132 7.632 30 H SER 8 H SER 8 8.317 -4.996 10.068 31 HA SER 8 HA SER 8 6.238 -4.182 8.173 32 HB2 SER 8 1HB SER 8 6.329 -5.978 10.548 33 HB3 SER 8 2HB SER 8 4.806 -5.158 10.207 34 HG SER 8 HG SER 8 5.127 -6.004 7.988 35 H GLU 9 H GLU 9 7.774 -2.119 9.291 36 HA GLU 9 HA GLU 9 6.251 -0.962 11.469 37 HB2 GLU 9 1HB GLU 9 8.824 -0.781 11.003 38 HB3 GLU 9 2HB GLU 9 8.345 0.528 9.932 39 HG2 GLU 9 1HG GLU 9 9.016 1.189 12.263 40 HG3 GLU 9 2HG GLU 9 7.458 1.795 11.704 41 H ALA 10 H ALA 10 6.593 -0.594 8.006 42 HA ALA 10 HA ALA 10 5.444 1.876 7.571 43 HB1 ALA 10 1HB ALA 10 4.628 0.862 5.392 44 HB2 ALA 10 2HB ALA 10 6.359 0.751 5.716 45 HB3 ALA 10 3HB ALA 10 5.325 -0.657 5.958 46 H TRP 11 H TRP 11 3.952 -1.056 8.651 47 HA TRP 11 HA TRP 11 1.311 -0.707 7.918 48 HB2 TRP 11 1HB TRP 11 2.674 -2.027 10.218 49 HB3 TRP 11 2HB TRP 11 0.930 -1.799 10.317 50 HD1 TRP 11 HD TRP 11 3.383 -4.234 9.149 51 HE1 TRP 11 1HE TRP 11 2.315 -5.938 7.542 52 HE3 TRP 11 3HE TRP 11 -0.995 -1.785 8.162 53 HZ2 TRP 11 2HZ TRP 11 -0.067 -6.208 6.053 54 HZ3 TRP 11 3HZ TRP 11 -2.614 -2.834 6.635 55 HH2 TRP 11 HH TRP 11 -2.158 -5.000 5.603 56 H GLU 12 H GLU 12 3.178 1.004 10.302 57 HA GLU 12 HA GLU 12 1.161 2.074 11.894 58 HB2 GLU 12 1HB GLU 12 3.773 3.333 11.038 59 HB3 GLU 12 2HB GLU 12 2.755 3.928 12.341 60 HG2 GLU 12 1HG GLU 12 3.957 1.173 12.282 61 HG3 GLU 12 2HG GLU 12 4.704 2.561 13.071 62 H TYR 13 H TYR 13 1.998 2.750 8.625 63 HA TYR 13 HA TYR 13 0.392 5.205 8.623 64 HB2 TYR 13 1HB TYR 13 2.076 4.090 6.374 65 HB3 TYR 13 2HB TYR 13 1.378 5.703 6.482 66 HD1 TYR 13 1HD TYR 13 2.371 7.396 7.922 67 HD2 TYR 13 2HD TYR 13 4.070 3.506 7.627 68 HE1 TYR 13 1HE TYR 13 4.431 8.222 8.982 69 HE2 TYR 13 2HE TYR 13 6.134 4.321 8.687 70 HH TYR 13 HH TYR 13 7.158 6.043 9.641 71 H PHE 14 H PHE 14 -0.471 2.248 8.644 72 HA PHE 14 HA PHE 14 -2.583 2.602 6.669 73 HB2 PHE 14 1HB PHE 14 -0.797 0.161 6.748 74 HB3 PHE 14 2HB PHE 14 -2.290 0.279 5.824 75 HD1 PHE 14 1HD PHE 14 1.162 1.498 6.121 76 HD2 PHE 14 2HD PHE 14 -2.385 1.481 3.768 77 HE1 PHE 14 1HE PHE 14 2.413 2.462 4.234 78 HE2 PHE 14 2HE PHE 14 -1.140 2.444 1.878 79 HZ PHE 14 HZ PHE 14 1.262 2.935 2.108 80 H HIS 15 H HIS 15 -4.405 1.171 7.008 81 HA HIS 15 HA HIS 15 -4.460 -0.265 9.549 82 HB2 HIS 15 1HB HIS 15 -6.078 0.996 10.566 83 HB3 HIS 15 2HB HIS 15 -5.289 2.266 9.635 84 HD1 HIS 15 1HD HIS 15 -8.173 -0.169 9.102 85 HD2 HIS 15 2HD HIS 15 -7.061 3.739 8.234 86 HE1 HIS 15 1HE HIS 15 -10.143 0.843 7.909 87 H LEU 16 H LEU 16 -5.437 -2.160 9.298 88 HA LEU 16 HA LEU 16 -6.582 -2.966 6.858 89 HB2 LEU 16 1HB LEU 16 -6.809 -4.223 9.589 90 HB3 LEU 16 2HB LEU 16 -7.240 -5.005 8.069 91 HG LEU 16 HG LEU 16 -4.454 -4.070 8.745 92 HD11 LEU 16 1HD1 LEU 16 -4.057 -6.571 8.998 93 HD12 LEU 16 2HD1 LEU 16 -5.805 -6.717 9.171 94 HD13 LEU 16 3HD1 LEU 16 -4.883 -5.750 10.323 95 HD21 LEU 16 1HD2 LEU 16 -3.759 -5.125 6.812 96 HD22 LEU 16 2HD2 LEU 16 -5.301 -4.429 6.315 97 HD23 LEU 16 3HD2 LEU 16 -5.197 -6.142 6.723 98 H ALA 17 H ALA 17 -8.743 -3.578 6.374 99 HA ALA 17 HA ALA 17 -10.710 -1.827 7.624 100 HB1 ALA 17 1HB ALA 17 -10.447 -1.939 5.142 101 HB2 ALA 17 2HB ALA 17 -11.070 -3.588 5.207 102 HB3 ALA 17 3HB ALA 17 -12.087 -2.241 5.718 103 HA PRO 18 HA PRO 18 -12.675 -4.979 9.977 104 HB2 PRO 18 1HB PRO 18 -15.206 -3.998 10.054 105 HB3 PRO 18 2HB PRO 18 -13.873 -3.292 10.975 106 HG2 PRO 18 1HG PRO 18 -15.052 -2.408 8.369 107 HG3 PRO 18 2HG PRO 18 -14.561 -1.430 9.764 108 HD2 PRO 18 1HD PRO 18 -13.020 -1.692 7.553 109 HD3 PRO 18 2HD PRO 18 -12.333 -1.484 9.176 110 H ALA 19 H ALA 19 -14.208 -6.692 9.855 111 HA ALA 19 HA ALA 19 -15.861 -7.040 7.537 112 HB1 ALA 19 1HB ALA 19 -13.191 -7.855 7.295 113 HB2 ALA 19 2HB ALA 19 -14.131 -9.330 7.522 114 HB3 ALA 19 3HB ALA 19 -14.532 -8.223 6.210 115 H ARG 20 H ARG 20 -17.609 -8.032 8.277 116 HA ARG 20 HA ARG 20 -17.438 -9.634 10.707 117 HB2 ARG 20 1HB ARG 20 -19.620 -8.243 9.230 118 HB3 ARG 20 2HB ARG 20 -20.053 -9.638 10.209 119 HG2 ARG 20 1HG ARG 20 -18.601 -8.352 12.014 120 HG3 ARG 20 2HG ARG 20 -19.080 -6.965 11.034 121 HD2 ARG 20 1HD ARG 20 -21.351 -7.308 11.448 122 HD3 ARG 20 2HD ARG 20 -21.100 -8.977 11.957 123 HE ARG 20 HE ARG 20 -20.537 -8.231 14.069 124 HH11 ARG 20 2HH1 ARG 20 -20.831 -5.544 11.875 125 HH12 ARG 20 1HH1 ARG 20 -20.804 -4.349 13.129 126 HH21 ARG 20 2HH2 ARG 20 -20.499 -6.667 15.729 127 HH22 ARG 20 1HH2 ARG 20 -20.614 -4.989 15.321 128 H ALA 21 H ALA 21 -18.667 -9.932 7.385 129 HA ALA 21 HA ALA 21 -18.126 -12.795 7.477 130 HB1 ALA 21 1HB ALA 21 -20.236 -13.536 7.320 131 HB2 ALA 21 2HB ALA 21 -20.664 -11.969 8.008 132 HB3 ALA 21 3HB ALA 21 -20.727 -12.212 6.263 133 H GLY 22 H GLY 22 -17.881 -13.760 5.423 134 HA2 GLY 22 1HA GLY 22 -18.107 -13.566 2.992 135 HA3 GLY 22 2HA GLY 22 -17.789 -11.847 3.173 136 H HIS 23 H HIS 23 -15.606 -11.597 4.606 137 HA HIS 23 HA HIS 23 -13.563 -13.482 3.821 138 HB2 HIS 23 1HB HIS 23 -12.213 -11.563 2.748 139 HB3 HIS 23 2HB HIS 23 -13.488 -12.311 1.791 140 HD1 HIS 23 1HD HIS 23 -14.172 -10.371 0.361 141 HD2 HIS 23 2HD HIS 23 -14.083 -9.417 4.403 142 HE1 HIS 23 1HE HIS 23 -15.180 -8.073 0.531 143 H HIS 24 H HIS 24 -11.479 -13.002 4.779 144 HA HIS 24 HA HIS 24 -11.669 -12.127 7.435 145 HB2 HIS 24 1HB HIS 24 -9.220 -12.318 7.486 146 HB3 HIS 24 2HB HIS 24 -9.952 -13.704 6.683 147 HD1 HIS 24 1HD HIS 24 -7.097 -13.316 6.049 148 HD2 HIS 24 2HD HIS 24 -10.082 -11.337 3.944 149 HE1 HIS 24 1HE HIS 24 -6.062 -12.688 3.845 150 HA PRO 25 HA PRO 25 -11.193 -7.767 7.267 151 HB2 PRO 25 1HB PRO 25 -9.818 -7.307 9.563 152 HB3 PRO 25 2HB PRO 25 -11.525 -7.767 9.541 153 HG2 PRO 25 1HG PRO 25 -9.111 -9.469 10.025 154 HG3 PRO 25 2HG PRO 25 -10.665 -9.463 10.878 155 HD2 PRO 25 1HD PRO 25 -10.046 -11.303 8.991 156 HD3 PRO 25 2HD PRO 25 -11.704 -10.726 9.254 157 H ASN 26 H ASN 26 -8.692 -9.825 6.694 158 HA ASN 26 HA ASN 26 -6.649 -7.724 6.578 159 HB2 ASN 26 1HB ASN 26 -6.197 -9.996 7.661 160 HB3 ASN 26 2HB ASN 26 -6.220 -10.658 6.029 161 HD21 ASN 26 1HD2 ASN 26 -4.817 -7.844 7.682 162 HD22 ASN 26 2HD2 ASN 26 -3.234 -8.031 7.014 163 H GLN 27 H GLN 27 -8.881 -7.817 4.720 164 HA GLN 27 HA GLN 27 -8.063 -8.904 2.234 165 HB2 GLN 27 1HB GLN 27 -10.418 -8.206 2.962 166 HB3 GLN 27 2HB GLN 27 -9.931 -6.564 2.562 167 HG2 GLN 27 1HG GLN 27 -11.105 -7.452 0.700 168 HG3 GLN 27 2HG GLN 27 -9.400 -7.351 0.263 169 HE21 GLN 27 1HE2 GLN 27 -11.077 -8.937 -1.171 170 HE22 GLN 27 2HE2 GLN 27 -10.715 -10.601 -0.879 171 H TYR 28 H TYR 28 -8.456 -5.447 3.003 172 HA TYR 28 HA TYR 28 -5.991 -4.922 1.478 173 HB2 TYR 28 1HB TYR 28 -8.699 -3.725 1.214 174 HB3 TYR 28 2HB TYR 28 -7.325 -2.638 1.052 175 HD1 TYR 28 2HD TYR 28 -7.822 -6.169 -0.058 176 HD2 TYR 28 1HD TYR 28 -7.087 -2.136 -1.195 177 HE1 TYR 28 2HE TYR 28 -7.538 -6.886 -2.394 178 HE2 TYR 28 1HE TYR 28 -6.801 -2.841 -3.534 179 HH TYR 28 HH TYR 28 -6.197 -4.907 -4.774 180 H ALA 29 H ALA 29 -5.068 -2.725 1.967 181 HA ALA 29 HA ALA 29 -5.379 -2.134 4.839 182 HB1 ALA 29 1HB ALA 29 -3.213 -3.126 4.319 183 HB2 ALA 29 2HB ALA 29 -2.907 -1.857 3.133 184 HB3 ALA 29 3HB ALA 29 -3.032 -1.453 4.845 185 H THR 30 H THR 30 -5.980 -0.141 5.390 186 HA THR 30 HA THR 30 -6.278 1.858 3.287 187 HB THR 30 HB THR 30 -7.209 2.041 6.156 188 HG1 THR 30 1HG THR 30 -8.607 0.570 5.557 189 HG21 THR 30 1HG2 THR 30 -7.052 4.163 4.856 190 HG22 THR 30 2HG2 THR 30 -8.696 3.755 5.347 191 HG23 THR 30 3HG2 THR 30 -8.178 3.479 3.685 192 H CYS 31 H CYS 31 -4.675 3.242 2.949 193 HA CYS 31 HA CYS 31 -2.526 3.662 4.722 194 HB2 CYS 31 1HB CYS 31 -2.634 4.033 2.171 195 HB3 CYS 31 2HB CYS 31 -3.314 5.608 2.565 196 H ARG 32 H ARG 32 -2.559 4.728 6.577 197 HA ARG 32 HA ARG 32 -4.665 6.562 7.238 198 HB2 ARG 32 1HB ARG 32 -2.134 5.915 8.762 199 HB3 ARG 32 2HB ARG 32 -3.544 6.751 9.400 200 HG2 ARG 32 1HG ARG 32 -4.865 4.667 8.874 201 HG3 ARG 32 2HG ARG 32 -3.318 3.874 8.573 202 HD2 ARG 32 1HD ARG 32 -4.004 3.424 10.835 203 HD3 ARG 32 2HD ARG 32 -2.605 4.497 10.861 204 HE ARG 32 HE ARG 32 -4.612 6.248 10.997 205 HH11 ARG 32 2HH1 ARG 32 -4.042 3.283 12.729 206 HH12 ARG 32 1HH1 ARG 32 -4.868 3.807 14.159 207 HH21 ARG 32 2HH2 ARG 32 -5.702 6.950 12.873 208 HH22 ARG 32 1HH2 ARG 32 -5.813 5.893 14.239 209 H LEU 33 H LEU 33 -1.902 6.902 5.461 210 HA LEU 33 HA LEU 33 -1.187 9.556 6.390 211 HB2 LEU 33 1HB LEU 33 -0.127 7.650 4.361 212 HB3 LEU 33 2HB LEU 33 0.274 9.360 4.212 213 HG LEU 33 HG LEU 33 0.880 7.637 6.615 214 HD11 LEU 33 1HD1 LEU 33 3.058 8.743 4.981 215 HD12 LEU 33 2HD1 LEU 33 2.119 7.459 4.219 216 HD13 LEU 33 3HD1 LEU 33 2.909 7.173 5.770 217 HD21 LEU 33 1HD2 LEU 33 2.452 9.996 6.439 218 HD22 LEU 33 2HD2 LEU 33 1.300 9.529 7.691 219 HD23 LEU 33 3HD2 LEU 33 0.754 10.451 6.289 220 H CYS 34 H CYS 34 -2.354 8.131 3.336 221 HA CYS 34 HA CYS 34 -3.371 10.785 2.577 222 HB2 CYS 34 1HB CYS 34 -3.389 9.944 0.269 223 HB3 CYS 34 2HB CYS 34 -1.786 9.808 0.985 224 H GLY 35 H GLY 35 -4.239 7.361 2.785 225 HA2 GLY 35 1HA GLY 35 -6.429 6.763 3.624 226 HA3 GLY 35 2HA GLY 35 -7.070 8.187 2.817 227 H ARG 36 H ARG 36 -4.771 6.056 1.277 228 HA ARG 36 HA ARG 36 -6.828 5.361 -0.692 229 HB2 ARG 36 1HB ARG 36 -3.853 5.590 -0.763 230 HB3 ARG 36 2HB ARG 36 -4.632 4.482 -1.884 231 HG2 ARG 36 1HG ARG 36 -6.148 6.607 -2.343 232 HG3 ARG 36 2HG ARG 36 -4.697 7.441 -1.783 233 HD2 ARG 36 1HD ARG 36 -4.352 7.290 -4.071 234 HD3 ARG 36 2HD ARG 36 -3.455 5.905 -3.448 235 HE ARG 36 HE ARG 36 -5.831 4.808 -3.990 236 HH11 ARG 36 2HH1 ARG 36 -3.791 6.920 -5.860 237 HH12 ARG 36 1HH1 ARG 36 -4.311 6.286 -7.386 238 HH21 ARG 36 2HH2 ARG 36 -6.524 3.965 -5.993 239 HH22 ARG 36 1HH2 ARG 36 -5.866 4.606 -7.461 240 H GLN 37 H GLN 37 -6.869 3.175 -1.565 241 HA GLN 37 HA GLN 37 -6.561 1.213 0.563 242 HB2 GLN 37 1HB GLN 37 -7.795 0.852 -2.170 243 HB3 GLN 37 2HB GLN 37 -7.950 -0.229 -0.791 244 HG2 GLN 37 1HG GLN 37 -8.884 2.607 -0.628 245 HG3 GLN 37 2HG GLN 37 -9.891 1.357 -1.357 246 HE21 GLN 37 1HE2 GLN 37 -8.417 2.509 1.575 247 HE22 GLN 37 2HE2 GLN 37 -9.348 1.541 2.662 248 H VAL 38 H VAL 38 -4.907 -0.146 0.676 249 HA VAL 38 HA VAL 38 -3.497 -0.891 -1.791 250 HB VAL 38 HB VAL 38 -2.137 -0.058 0.775 251 HG11 VAL 38 1HG1 VAL 38 -0.661 -1.612 0.019 252 HG12 VAL 38 2HG1 VAL 38 -1.200 -1.473 -1.655 253 HG13 VAL 38 3HG1 VAL 38 -0.134 -0.248 -0.966 254 HG21 VAL 38 1HG2 VAL 38 -1.515 1.912 -0.235 255 HG22 VAL 38 2HG2 VAL 38 -1.708 1.266 -1.864 256 HG23 VAL 38 3HG2 VAL 38 -3.129 1.685 -0.909 257 H SER 39 H SER 39 -3.431 -3.022 -1.989 258 HA SER 39 HA SER 39 -3.683 -4.674 0.431 259 HB2 SER 39 1HB SER 39 -5.399 -4.853 -1.457 260 HB3 SER 39 2HB SER 39 -4.120 -5.611 -2.405 261 HG SER 39 HG SER 39 -5.289 -6.521 0.007 262 H ARG 40 H ARG 40 -2.078 -5.984 1.039 263 HA ARG 40 HA ARG 40 0.484 -5.802 -0.071 264 HB2 ARG 40 1HB ARG 40 -0.826 -7.494 1.985 265 HB3 ARG 40 2HB ARG 40 0.680 -8.099 1.310 266 HG2 ARG 40 1HG ARG 40 1.859 -6.139 2.009 267 HG3 ARG 40 2HG ARG 40 0.357 -5.361 2.512 268 HD2 ARG 40 1HD ARG 40 1.609 -6.253 4.422 269 HD3 ARG 40 2HD ARG 40 0.040 -7.038 4.239 270 HE ARG 40 HE ARG 40 2.658 -8.239 3.826 271 HH11 ARG 40 2HH1 ARG 40 -0.802 -8.517 3.563 272 HH12 ARG 40 1HH1 ARG 40 -0.785 -10.245 3.440 273 HH21 ARG 40 2HH2 ARG 40 2.694 -10.514 3.665 274 HH22 ARG 40 1HH2 ARG 40 1.204 -11.380 3.499 275 H GLY 41 H GLY 41 -1.578 -8.720 -0.003 276 HA2 GLY 41 1HA GLY 41 -1.806 -9.479 -2.530 277 HA3 GLY 41 2HA GLY 41 -0.092 -9.779 -2.283 278 HA PRO 42 HA PRO 42 -2.861 -13.373 -0.824 279 HB2 PRO 42 1HB PRO 42 -2.441 -15.071 -2.900 280 HB3 PRO 42 2HB PRO 42 -3.780 -13.918 -2.858 281 HG2 PRO 42 1HG PRO 42 -1.140 -13.706 -4.255 282 HG3 PRO 42 2HG PRO 42 -2.757 -13.279 -4.847 283 HD2 PRO 42 1HD PRO 42 -1.009 -11.430 -3.922 284 HD3 PRO 42 2HD PRO 42 -2.766 -11.258 -3.738 285 H GLY 43 H GLY 43 0.306 -12.630 -1.560 286 HA2 GLY 43 1HA GLY 43 1.392 -14.495 0.249 287 HA3 GLY 43 2HA GLY 43 1.644 -15.085 -1.387 288 H VAL 44 H VAL 44 2.068 -12.143 0.572 289 HA VAL 44 HA VAL 44 4.303 -11.335 -1.118 290 HB VAL 44 HB VAL 44 2.992 -9.934 1.215 291 HG11 VAL 44 1HG1 VAL 44 4.533 -8.296 1.127 292 HG12 VAL 44 2HG1 VAL 44 5.553 -9.551 0.419 293 HG13 VAL 44 3HG1 VAL 44 4.704 -8.409 -0.625 294 HG21 VAL 44 1HG2 VAL 44 1.991 -10.262 -1.285 295 HG22 VAL 44 2HG2 VAL 44 1.641 -8.882 -0.245 296 HG23 VAL 44 3HG2 VAL 44 2.897 -8.761 -1.476 297 H ASN 45 H ASN 45 6.308 -11.926 -0.655 298 HA ASN 45 HA ASN 45 7.096 -13.407 1.548 299 HB2 ASN 45 1HB ASN 45 8.583 -11.769 -0.473 300 HB3 ASN 45 2HB ASN 45 9.456 -12.456 0.893 301 HD21 ASN 45 1HD2 ASN 45 7.104 -13.400 -1.586 302 HD22 ASN 45 2HD2 ASN 45 7.792 -14.955 -1.890 303 H VAL 46 H VAL 46 8.581 -12.841 3.292 304 HA VAL 46 HA VAL 46 7.691 -10.480 4.675 305 HB VAL 46 HB VAL 46 9.754 -12.540 5.468 306 HG11 VAL 46 1HG1 VAL 46 9.184 -9.993 6.575 307 HG12 VAL 46 2HG1 VAL 46 8.581 -11.219 7.693 308 HG13 VAL 46 3HG1 VAL 46 10.271 -11.238 7.188 309 HG21 VAL 46 1HG2 VAL 46 7.999 -13.452 6.890 310 HG22 VAL 46 2HG2 VAL 46 6.869 -12.233 6.302 311 HG23 VAL 46 3HG2 VAL 46 7.495 -13.459 5.200 312 H GLY 47 H GLY 47 8.500 -8.792 3.350 313 HA2 GLY 47 1HA GLY 47 11.153 -7.955 4.081 314 HA3 GLY 47 2HA GLY 47 11.014 -8.378 2.381 315 H THR 48 H THR 48 10.497 -6.788 1.042 316 HA THR 48 HA THR 48 9.900 -4.179 2.010 317 HB THR 48 HB THR 48 9.725 -5.202 -0.831 318 HG1 THR 48 1HG THR 48 11.822 -5.396 -0.506 319 HG21 THR 48 1HG2 THR 48 9.069 -3.144 -1.372 320 HG22 THR 48 2HG2 THR 48 10.531 -2.485 -0.640 321 HG23 THR 48 3HG2 THR 48 9.073 -2.688 0.330 322 H THR 49 H THR 49 7.948 -4.771 3.236 323 HA THR 49 HA THR 49 5.591 -5.768 2.293 324 HB THR 49 HB THR 49 5.515 -3.308 4.011 325 HG1 THR 49 1HG THR 49 7.178 -4.410 4.957 326 HG21 THR 49 1HG2 THR 49 3.382 -4.071 3.975 327 HG22 THR 49 2HG2 THR 49 3.983 -5.170 5.217 328 HG23 THR 49 3HG2 THR 49 3.863 -5.711 3.543 329 H ALA 50 H ALA 50 4.184 -5.228 0.762 330 HA ALA 50 HA ALA 50 4.432 -3.412 -1.185 331 HB1 ALA 50 1HB ALA 50 1.840 -3.308 -1.187 332 HB2 ALA 50 2HB ALA 50 2.644 -4.855 -1.455 333 HB3 ALA 50 3HB ALA 50 1.965 -4.477 0.128 334 H LEU 51 H LEU 51 3.139 -2.733 2.024 335 HA LEU 51 HA LEU 51 2.114 -0.196 1.651 336 HB2 LEU 51 1HB LEU 51 3.705 -1.058 4.057 337 HB3 LEU 51 2HB LEU 51 2.442 0.169 3.993 338 HG LEU 51 HG LEU 51 1.946 -2.763 3.504 339 HD11 LEU 51 1HD1 LEU 51 2.733 -1.741 5.895 340 HD12 LEU 51 2HD1 LEU 51 1.692 -3.150 5.696 341 HD13 LEU 51 3HD1 LEU 51 0.981 -1.564 5.997 342 HD21 LEU 51 1HD2 LEU 51 0.390 -0.432 3.104 343 HD22 LEU 51 2HD2 LEU 51 -0.292 -1.302 4.479 344 HD23 LEU 51 3HD2 LEU 51 -0.095 -2.119 2.927 345 H TRP 52 H TRP 52 5.441 -1.017 2.640 346 HA TRP 52 HA TRP 52 6.530 1.498 2.748 347 HB2 TRP 52 1HB TRP 52 7.716 -1.132 1.887 348 HB3 TRP 52 2HB TRP 52 8.687 0.336 1.955 349 HD1 TRP 52 HD TRP 52 7.408 -2.435 4.097 350 HE1 TRP 52 1HE TRP 52 8.050 -2.019 6.554 351 HE3 TRP 52 3HE TRP 52 8.968 2.419 3.718 352 HZ2 TRP 52 2HZ TRP 52 9.081 0.088 8.124 353 HZ3 TRP 52 3HZ TRP 52 9.767 3.562 5.745 354 HH2 TRP 52 HH TRP 52 9.821 2.419 7.901 355 H LYS 53 H LYS 53 6.401 -0.603 -0.128 356 HA LYS 53 HA LYS 53 7.612 0.998 -1.982 357 HB2 LYS 53 1HB LYS 53 5.119 -0.657 -2.422 358 HB3 LYS 53 2HB LYS 53 6.210 -0.093 -3.681 359 HG2 LYS 53 1HG LYS 53 8.029 -1.402 -2.550 360 HG3 LYS 53 2HG LYS 53 6.780 -2.101 -1.517 361 HD2 LYS 53 1HD LYS 53 7.014 -3.662 -3.235 362 HD3 LYS 53 2HD LYS 53 5.602 -2.720 -3.720 363 HE2 LYS 53 1HE LYS 53 6.844 -2.858 -5.678 364 HE3 LYS 53 2HE LYS 53 7.293 -1.281 -5.031 365 HZ1 LYS 53 1HZ LYS 53 8.910 -3.634 -4.335 366 HZ2 LYS 53 2HZ LYS 53 9.372 -2.011 -4.448 367 HZ3 LYS 53 3HZ LYS 53 9.112 -2.916 -5.854 368 H HIS 54 H HIS 54 4.249 1.182 -0.884 369 HA HIS 54 HA HIS 54 3.512 3.291 -2.642 370 HB2 HIS 54 1HB HIS 54 1.820 1.839 -1.674 371 HB3 HIS 54 2HB HIS 54 2.265 2.356 -0.050 372 HD1 HIS 54 1HD HIS 54 0.882 3.890 -3.243 373 HD2 HIS 54 2HD HIS 54 0.780 4.424 0.876 374 HE1 HIS 54 1HE HIS 54 -0.762 5.751 -2.847 375 H LEU 55 H LEU 55 4.774 3.164 0.640 376 HA LEU 55 HA LEU 55 4.382 5.887 1.279 377 HB2 LEU 55 1HB LEU 55 6.348 3.854 2.311 378 HB3 LEU 55 2HB LEU 55 6.168 5.470 2.991 379 HG LEU 55 HG LEU 55 3.897 3.498 2.867 380 HD11 LEU 55 1HD1 LEU 55 5.454 2.358 4.186 381 HD12 LEU 55 2HD1 LEU 55 4.441 3.217 5.346 382 HD13 LEU 55 3HD1 LEU 55 6.040 3.842 4.939 383 HD21 LEU 55 1HD2 LEU 55 3.807 6.143 3.301 384 HD22 LEU 55 2HD2 LEU 55 4.127 5.587 4.944 385 HD23 LEU 55 3HD2 LEU 55 2.710 4.998 4.073 386 H LYS 56 H LYS 56 7.176 4.135 -0.036 387 HA LYS 56 HA LYS 56 8.771 6.510 -0.270 388 HB2 LYS 56 1HB LYS 56 9.206 3.816 -1.568 389 HB3 LYS 56 2HB LYS 56 10.406 5.083 -1.348 390 HG2 LYS 56 1HG LYS 56 10.699 4.619 0.861 391 HG3 LYS 56 2HG LYS 56 9.051 4.024 1.070 392 HD2 LYS 56 1HD LYS 56 9.580 1.953 0.024 393 HD3 LYS 56 2HD LYS 56 11.148 2.556 -0.519 394 HE2 LYS 56 1HE LYS 56 11.733 2.839 1.927 395 HE3 LYS 56 2HE LYS 56 10.273 1.921 2.290 396 HZ1 LYS 56 1HZ LYS 56 12.076 0.729 0.350 397 HZ2 LYS 56 2HZ LYS 56 11.199 0.005 1.602 398 HZ3 LYS 56 3HZ LYS 56 12.653 0.802 1.939 399 H SER 57 H SER 57 6.223 5.258 -2.038 400 HA SER 57 HA SER 57 7.134 6.133 -4.642 401 HB2 SER 57 1HB SER 57 5.660 4.166 -4.434 402 HB3 SER 57 2HB SER 57 4.397 5.189 -3.749 403 HG SER 57 HG SER 57 5.235 6.266 -6.042 404 H MET 58 H MET 58 4.793 7.186 -2.201 405 HA MET 58 HA MET 58 4.668 9.792 -3.572 406 HB2 MET 58 1HB MET 58 2.381 10.049 -2.762 407 HB3 MET 58 2HB MET 58 2.530 8.595 -3.740 408 HG2 MET 58 1HG MET 58 2.319 7.188 -1.916 409 HG3 MET 58 2HG MET 58 2.776 8.445 -0.768 410 HE1 MET 58 1HE MET 58 -0.287 7.609 -3.402 411 HE2 MET 58 2HE MET 58 -1.093 9.144 -3.079 412 HE3 MET 58 3HE MET 58 0.559 9.128 -3.697 413 H HIS 59 H HIS 59 4.734 8.071 -0.506 414 HA HIS 59 HA HIS 59 4.964 10.560 0.990 415 HB2 HIS 59 1HB HIS 59 4.995 7.694 1.960 416 HB3 HIS 59 2HB HIS 59 4.928 9.127 2.982 417 HD1 HIS 59 1HD HIS 59 2.705 10.718 2.329 418 HD2 HIS 59 2HD HIS 59 2.551 6.645 1.523 419 HE1 HIS 59 1HE HIS 59 0.261 10.168 2.111 420 H ARG 60 H ARG 60 7.050 9.548 -0.918 421 HA ARG 60 HA ARG 60 9.290 8.533 0.341 422 HB2 ARG 60 1HB ARG 60 9.295 8.754 -2.032 423 HB3 ARG 60 2HB ARG 60 9.038 10.491 -1.938 424 HG2 ARG 60 1HG ARG 60 11.273 10.740 -0.933 425 HG3 ARG 60 2HG ARG 60 11.525 9.004 -1.123 426 HD2 ARG 60 1HD ARG 60 12.582 10.098 -2.961 427 HD3 ARG 60 2HD ARG 60 11.137 9.295 -3.572 428 HE ARG 60 HE ARG 60 10.198 11.358 -4.015 429 HH11 ARG 60 2HH1 ARG 60 13.155 11.735 -2.216 430 HH12 ARG 60 1HH1 ARG 60 13.249 13.445 -2.478 431 HH21 ARG 60 2HH2 ARG 60 10.311 13.609 -4.367 432 HH22 ARG 60 1HH2 ARG 60 11.631 14.510 -3.701 433 H GLU 61 H GLU 61 8.107 11.851 0.242 434 HA GLU 61 HA GLU 61 10.390 13.011 1.481 435 HB2 GLU 61 1HB GLU 61 7.570 13.941 1.015 436 HB3 GLU 61 2HB GLU 61 8.695 14.901 1.965 437 HG2 GLU 61 1HG GLU 61 9.975 15.448 0.165 438 HG3 GLU 61 2HG GLU 61 9.580 13.968 -0.707 439 H GLU 62 H GLU 62 7.286 11.817 2.678 440 HA GLU 62 HA GLU 62 7.527 12.685 5.331 441 HB2 GLU 62 1HB GLU 62 5.403 11.919 4.578 442 HB3 GLU 62 2HB GLU 62 6.058 10.359 4.100 443 HG2 GLU 62 1HG GLU 62 5.028 9.792 6.048 444 HG3 GLU 62 2HG GLU 62 6.641 10.172 6.646 445 H LEU 63 H LEU 63 8.510 9.641 3.797 446 HA LEU 63 HA LEU 63 9.465 8.395 6.137 447 HB2 LEU 63 1HB LEU 63 10.393 7.971 3.301 448 HB3 LEU 63 2HB LEU 63 10.606 6.858 4.651 449 HG LEU 63 HG LEU 63 7.956 7.629 3.430 450 HD11 LEU 63 1HD1 LEU 63 8.000 5.731 2.170 451 HD12 LEU 63 2HD1 LEU 63 9.096 4.891 3.267 452 HD13 LEU 63 3HD1 LEU 63 9.720 6.122 2.168 453 HD21 LEU 63 1HD2 LEU 63 7.354 7.025 5.547 454 HD22 LEU 63 2HD2 LEU 63 8.762 5.987 5.774 455 HD23 LEU 63 3HD2 LEU 63 7.406 5.432 4.791 456 H GLU 64 H GLU 64 11.247 10.055 3.531 457 HA GLU 64 HA GLU 64 13.797 9.887 4.534 458 HB2 GLU 64 1HB GLU 64 12.428 12.052 2.956 459 HB3 GLU 64 2HB GLU 64 14.124 12.181 3.403 460 HG2 GLU 64 1HG GLU 64 14.454 9.937 2.290 461 HG3 GLU 64 2HG GLU 64 12.826 10.129 1.640 462 H LYS 65 H LYS 65 11.315 12.285 5.335 463 HA LYS 65 HA LYS 65 12.927 13.837 7.062 464 HB2 LYS 65 1HB LYS 65 10.783 14.601 6.053 465 HB3 LYS 65 2HB LYS 65 9.923 13.501 7.122 466 HG2 LYS 65 1HG LYS 65 10.682 14.715 9.059 467 HG3 LYS 65 2HG LYS 65 11.684 15.760 8.049 468 HD2 LYS 65 1HD LYS 65 9.747 17.016 8.496 469 HD3 LYS 65 2HD LYS 65 9.526 16.403 6.856 470 HE2 LYS 65 1HE LYS 65 8.218 14.502 7.869 471 HE3 LYS 65 2HE LYS 65 8.277 15.378 9.398 472 HZ1 LYS 65 1HZ LYS 65 7.301 17.300 8.026 473 HZ2 LYS 65 2HZ LYS 65 6.275 16.036 8.486 474 HZ3 LYS 65 3HZ LYS 65 6.879 16.104 6.907 475 H SER 66 H SER 66 10.683 11.157 7.655 476 HA SER 66 HA SER 66 10.876 11.180 10.465 477 HB2 SER 66 1HB SER 66 10.222 8.907 8.575 478 HB3 SER 66 2HB SER 66 9.995 8.853 10.323 479 HG SER 66 HG SER 66 8.510 10.135 8.382 480 H GLY 67 H GLY 67 11.724 9.104 11.634 481 HA2 GLY 67 1HA GLY 67 14.553 9.141 11.400 482 HA3 GLY 67 2HA GLY 67 13.616 8.073 12.435 483 H HIS 68 H HIS 68 12.108 6.744 10.486 484 HA HIS 68 HA HIS 68 13.479 4.535 9.872 485 HB2 HIS 68 1HB HIS 68 11.555 5.846 7.940 486 HB3 HIS 68 2HB HIS 68 11.968 4.135 7.997 487 HD1 HIS 68 1HD HIS 68 11.691 3.640 11.021 488 HD2 HIS 68 2HD HIS 68 8.956 5.787 8.746 489 HE1 HIS 68 1HE HIS 68 9.524 3.528 12.292 490 H GLY 69 H GLY 69 14.724 3.704 8.159 491 HA2 GLY 69 1HA GLY 69 15.535 5.158 5.896 492 HA3 GLY 69 2HA GLY 69 16.720 5.413 7.169 493 H GLN 70 H GLN 70 16.559 2.837 8.355 494 HA GLN 70 HA GLN 70 17.882 1.265 6.252 495 HB2 GLN 70 1HB GLN 70 18.920 0.039 8.202 496 HB3 GLN 70 2HB GLN 70 19.410 1.717 8.012 497 HG2 GLN 70 1HG GLN 70 17.127 1.105 9.811 498 HG3 GLN 70 2HG GLN 70 18.760 0.728 10.357 499 HE21 GLN 70 1HE2 GLN 70 20.330 2.499 10.286 500 HE22 GLN 70 2HE2 GLN 70 19.781 4.105 10.607 501 H SER 71 H SER 71 15.734 0.568 5.536 502 HA SER 71 HA SER 71 14.724 -1.647 7.196 503 HB2 SER 71 1HB SER 71 13.152 0.306 7.082 504 HB3 SER 71 2HB SER 71 13.049 0.057 5.340 505 HG SER 71 HG SER 71 12.189 -1.997 5.736 506 H GLY 72 H GLY 72 16.261 -2.958 5.993 507 HA2 GLY 72 1HA GLY 72 16.986 -4.166 4.139 508 HA3 GLY 72 2HA GLY 72 15.299 -4.658 4.177 509 HA PRO 73 HA PRO 73 15.458 -1.067 0.960 510 HB2 PRO 73 1HB PRO 73 17.890 0.008 0.410 511 HB3 PRO 73 2HB PRO 73 16.833 0.624 1.687 512 HG2 PRO 73 1HG PRO 73 19.191 -1.207 1.900 513 HG3 PRO 73 2HG PRO 73 18.744 0.166 2.929 514 HD2 PRO 73 1HD PRO 73 18.260 -2.403 3.636 515 HD3 PRO 73 2HD PRO 73 17.197 -1.064 4.114 516 H SER 74 H SER 74 16.127 -0.960 -1.325 517 HA SER 74 HA SER 74 17.977 -2.952 -2.296 518 HB2 SER 74 1HB SER 74 16.322 -4.188 -3.623 519 HB3 SER 74 2HB SER 74 15.960 -4.310 -1.902 520 HG SER 74 HG SER 74 14.772 -2.195 -3.231 521 H SER 75 H SER 75 18.529 -2.672 -4.472 522 HA SER 75 HA SER 75 17.656 -0.101 -5.594 523 HB2 SER 75 1HB SER 75 20.105 -0.467 -5.113 524 HB3 SER 75 2HB SER 75 20.100 -1.707 -6.367 525 HG SER 75 HG SER 75 19.091 0.831 -6.981 526 H GLY 76 H GLY 76 15.725 -0.949 -6.515 527 HA2 GLY 76 1HA GLY 76 15.281 -1.301 -9.001 528 HA3 GLY 76 2HA GLY 76 16.153 -2.808 -8.766 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.162 -5.229 12.383 2 HA2 GLY 1 1HA GLY 1 1.885 -5.774 13.905 3 HA3 GLY 1 2HA GLY 1 0.447 -5.780 14.916 4 H SER 2 H SER 2 2.856 -7.716 13.332 5 HA SER 2 HA SER 2 1.709 -10.152 14.513 6 HB2 SER 2 1HB SER 2 3.657 -9.709 12.254 7 HB3 SER 2 2HB SER 2 3.454 -11.289 13.010 8 HG SER 2 HG SER 2 1.862 -11.481 11.653 9 H SER 3 H SER 3 2.951 -11.504 15.814 10 HA SER 3 HA SER 3 4.818 -10.206 17.506 11 HB2 SER 3 1HB SER 3 3.218 -12.277 17.914 12 HB3 SER 3 2HB SER 3 4.645 -13.189 17.423 13 HG SER 3 HG SER 3 5.635 -12.631 19.215 14 H GLY 4 H GLY 4 6.418 -9.476 15.989 15 HA2 GLY 4 1HA GLY 4 8.623 -11.301 15.783 16 HA3 GLY 4 2HA GLY 4 7.904 -10.944 14.219 17 H SER 5 H SER 5 10.561 -10.318 14.928 18 HA SER 5 HA SER 5 10.476 -7.384 15.156 19 HB2 SER 5 1HB SER 5 11.813 -8.428 16.904 20 HB3 SER 5 2HB SER 5 12.750 -9.310 15.698 21 HG SER 5 HG SER 5 13.667 -7.275 16.575 22 H SER 6 H SER 6 9.962 -7.105 12.935 23 HA SER 6 HA SER 6 12.276 -6.925 11.253 24 HB2 SER 6 1HB SER 6 11.849 -9.215 10.747 25 HB3 SER 6 2HB SER 6 10.113 -8.935 10.617 26 HG SER 6 HG SER 6 11.706 -7.435 8.923 27 H GLY 7 H GLY 7 12.025 -4.931 10.499 28 HA2 GLY 7 1HA GLY 7 10.919 -2.965 9.920 29 HA3 GLY 7 2HA GLY 7 10.360 -4.014 8.625 30 H SER 8 H SER 8 8.250 -4.612 8.542 31 HA SER 8 HA SER 8 6.007 -4.253 8.858 32 HB2 SER 8 1HB SER 8 5.173 -5.171 10.974 33 HB3 SER 8 2HB SER 8 6.469 -6.179 10.329 34 HG SER 8 HG SER 8 7.127 -4.130 12.118 35 H GLU 9 H GLU 9 7.752 -1.909 9.314 36 HA GLU 9 HA GLU 9 6.380 -0.449 11.428 37 HB2 GLU 9 1HB GLU 9 8.937 -0.361 10.749 38 HB3 GLU 9 2HB GLU 9 8.360 0.843 9.606 39 HG2 GLU 9 1HG GLU 9 7.744 2.320 11.263 40 HG3 GLU 9 2HG GLU 9 7.606 1.056 12.484 41 H ALA 10 H ALA 10 6.606 -0.548 7.928 42 HA ALA 10 HA ALA 10 5.417 1.814 7.188 43 HB1 ALA 10 1HB ALA 10 4.538 0.551 5.208 44 HB2 ALA 10 2HB ALA 10 6.264 0.354 5.513 45 HB3 ALA 10 3HB ALA 10 5.137 -0.924 5.969 46 H TRP 11 H TRP 11 3.939 -0.990 8.642 47 HA TRP 11 HA TRP 11 1.271 -0.621 8.023 48 HB2 TRP 11 1HB TRP 11 2.724 -1.808 10.340 49 HB3 TRP 11 2HB TRP 11 0.994 -1.525 10.512 50 HD1 TRP 11 HD TRP 11 3.244 -4.172 9.548 51 HE1 TRP 11 1HE TRP 11 2.080 -5.932 8.073 52 HE3 TRP 11 3HE TRP 11 -0.935 -1.522 8.264 53 HZ2 TRP 11 2HZ TRP 11 -0.294 -6.166 6.565 54 HZ3 TRP 11 3HZ TRP 11 -2.604 -2.586 6.802 55 HH2 TRP 11 HH TRP 11 -2.287 -4.860 5.970 56 H GLU 12 H GLU 12 3.297 1.168 10.229 57 HA GLU 12 HA GLU 12 1.371 2.423 11.799 58 HB2 GLU 12 1HB GLU 12 4.002 3.533 10.805 59 HB3 GLU 12 2HB GLU 12 3.051 4.211 12.119 60 HG2 GLU 12 1HG GLU 12 3.374 2.226 13.441 61 HG3 GLU 12 2HG GLU 12 4.209 1.434 12.106 62 H TYR 13 H TYR 13 2.122 2.836 8.473 63 HA TYR 13 HA TYR 13 0.620 5.358 8.359 64 HB2 TYR 13 1HB TYR 13 2.237 4.067 6.157 65 HB3 TYR 13 2HB TYR 13 1.588 5.703 6.181 66 HD1 TYR 13 2HD TYR 13 4.095 3.464 7.729 67 HD2 TYR 13 1HD TYR 13 2.785 7.476 7.197 68 HE1 TYR 13 2HE TYR 13 6.196 4.275 8.718 69 HE2 TYR 13 1HE TYR 13 4.883 8.299 8.183 70 HH TYR 13 HH TYR 13 7.309 6.060 9.470 71 H PHE 14 H PHE 14 -0.368 2.465 8.580 72 HA PHE 14 HA PHE 14 -2.512 2.780 6.651 73 HB2 PHE 14 1HB PHE 14 -0.759 0.315 6.698 74 HB3 PHE 14 2HB PHE 14 -2.285 0.444 5.829 75 HD1 PHE 14 1HD PHE 14 1.103 1.936 6.075 76 HD2 PHE 14 2HD PHE 14 -2.345 1.294 3.664 77 HE1 PHE 14 1HE PHE 14 2.297 2.855 4.130 78 HE2 PHE 14 2HE PHE 14 -1.157 2.211 1.715 79 HZ PHE 14 HZ PHE 14 1.168 2.992 1.946 80 H HIS 15 H HIS 15 -4.342 1.396 7.092 81 HA HIS 15 HA HIS 15 -4.309 0.087 9.715 82 HB2 HIS 15 1HB HIS 15 -6.001 1.336 10.617 83 HB3 HIS 15 2HB HIS 15 -5.280 2.566 9.582 84 HD1 HIS 15 1HD HIS 15 -7.950 -0.119 9.113 85 HD2 HIS 15 2HD HIS 15 -7.189 3.862 8.197 86 HE1 HIS 15 1HE HIS 15 -9.983 0.685 7.870 87 H LEU 16 H LEU 16 -5.304 -1.829 9.714 88 HA LEU 16 HA LEU 16 -6.389 -2.881 7.300 89 HB2 LEU 16 1HB LEU 16 -6.136 -3.916 10.103 90 HB3 LEU 16 2HB LEU 16 -7.008 -4.823 8.869 91 HG LEU 16 HG LEU 16 -4.104 -4.024 8.693 92 HD11 LEU 16 1HD1 LEU 16 -5.457 -6.309 9.936 93 HD12 LEU 16 2HD1 LEU 16 -3.836 -5.664 10.198 94 HD13 LEU 16 3HD1 LEU 16 -4.149 -6.733 8.830 95 HD21 LEU 16 1HD2 LEU 16 -4.569 -6.133 6.993 96 HD22 LEU 16 2HD2 LEU 16 -4.426 -4.439 6.523 97 HD23 LEU 16 3HD2 LEU 16 -6.018 -5.146 6.806 98 H ALA 17 H ALA 17 -8.500 -3.507 6.832 99 HA ALA 17 HA ALA 17 -10.544 -1.945 8.202 100 HB1 ALA 17 1HB ALA 17 -10.137 -2.273 5.592 101 HB2 ALA 17 2HB ALA 17 -11.235 -3.628 5.864 102 HB3 ALA 17 3HB ALA 17 -11.739 -1.988 6.272 103 HA PRO 18 HA PRO 18 -12.378 -5.284 10.382 104 HB2 PRO 18 1HB PRO 18 -15.008 -4.620 10.266 105 HB3 PRO 18 2HB PRO 18 -13.841 -3.750 11.269 106 HG2 PRO 18 1HG PRO 18 -14.928 -3.033 8.573 107 HG3 PRO 18 2HG PRO 18 -14.661 -1.993 9.984 108 HD2 PRO 18 1HD PRO 18 -12.944 -2.079 7.892 109 HD3 PRO 18 2HD PRO 18 -12.406 -1.779 9.557 110 H ALA 19 H ALA 19 -13.146 -7.303 10.011 111 HA ALA 19 HA ALA 19 -13.578 -8.146 7.326 112 HB1 ALA 19 1HB ALA 19 -14.230 -10.340 8.570 113 HB2 ALA 19 2HB ALA 19 -12.559 -9.775 8.599 114 HB3 ALA 19 3HB ALA 19 -13.607 -9.496 9.989 115 H ARG 20 H ARG 20 -15.395 -7.812 6.235 116 HA ARG 20 HA ARG 20 -17.951 -7.858 7.695 117 HB2 ARG 20 1HB ARG 20 -17.163 -6.495 5.118 118 HB3 ARG 20 2HB ARG 20 -18.825 -6.613 5.679 119 HG2 ARG 20 1HG ARG 20 -16.670 -5.395 7.371 120 HG3 ARG 20 2HG ARG 20 -17.563 -4.459 6.170 121 HD2 ARG 20 1HD ARG 20 -18.791 -4.083 8.091 122 HD3 ARG 20 2HD ARG 20 -19.660 -5.427 7.351 123 HE ARG 20 HE ARG 20 -17.623 -6.175 9.264 124 HH11 ARG 20 2HH1 ARG 20 -20.981 -5.435 8.720 125 HH12 ARG 20 1HH1 ARG 20 -21.529 -6.269 10.136 126 HH21 ARG 20 2HH2 ARG 20 -18.332 -7.277 11.131 127 HH22 ARG 20 1HH2 ARG 20 -20.022 -7.316 11.507 128 H ALA 21 H ALA 21 -16.441 -8.825 4.624 129 HA ALA 21 HA ALA 21 -18.651 -10.586 3.990 130 HB1 ALA 21 1HB ALA 21 -16.339 -10.977 2.322 131 HB2 ALA 21 2HB ALA 21 -17.936 -10.358 1.899 132 HB3 ALA 21 3HB ALA 21 -16.695 -9.259 2.500 133 H GLY 22 H GLY 22 -17.339 -11.221 6.424 134 HA2 GLY 22 1HA GLY 22 -16.768 -13.179 7.507 135 HA3 GLY 22 2HA GLY 22 -16.809 -13.999 5.953 136 H HIS 23 H HIS 23 -14.917 -13.186 4.457 137 HA HIS 23 HA HIS 23 -12.579 -14.251 5.191 138 HB2 HIS 23 1HB HIS 23 -12.596 -11.628 3.703 139 HB3 HIS 23 2HB HIS 23 -11.476 -12.974 3.516 140 HD1 HIS 23 1HD HIS 23 -13.207 -11.692 1.194 141 HD2 HIS 23 2HD HIS 23 -14.079 -15.197 3.246 142 HE1 HIS 23 1HE HIS 23 -14.686 -13.022 -0.345 143 H HIS 24 H HIS 24 -10.832 -13.815 6.437 144 HA HIS 24 HA HIS 24 -10.936 -12.359 8.710 145 HB2 HIS 24 1HB HIS 24 -8.414 -12.244 8.607 146 HB3 HIS 24 2HB HIS 24 -9.102 -13.848 8.376 147 HD1 HIS 24 1HD HIS 24 -6.346 -13.551 7.356 148 HD2 HIS 24 2HD HIS 24 -9.648 -12.535 5.048 149 HE1 HIS 24 1HE HIS 24 -5.553 -13.640 4.971 150 HA PRO 25 HA PRO 25 -10.785 -8.065 7.817 151 HB2 PRO 25 1HB PRO 25 -9.394 -7.131 9.953 152 HB3 PRO 25 2HB PRO 25 -11.061 -7.709 10.070 153 HG2 PRO 25 1HG PRO 25 -8.512 -9.129 10.740 154 HG3 PRO 25 2HG PRO 25 -10.041 -9.092 11.637 155 HD2 PRO 25 1HD PRO 25 -9.329 -11.173 10.058 156 HD3 PRO 25 2HD PRO 25 -11.019 -10.680 10.282 157 H ASN 26 H ASN 26 -8.064 -9.998 7.680 158 HA ASN 26 HA ASN 26 -6.167 -7.853 7.186 159 HB2 ASN 26 1HB ASN 26 -5.948 -10.856 7.266 160 HB3 ASN 26 2HB ASN 26 -4.632 -9.852 6.666 161 HD21 ASN 26 1HD2 ASN 26 -6.573 -10.670 9.448 162 HD22 ASN 26 2HD2 ASN 26 -5.489 -10.037 10.635 163 H GLN 27 H GLN 27 -8.304 -7.779 5.421 164 HA GLN 27 HA GLN 27 -7.585 -9.089 2.958 165 HB2 GLN 27 1HB GLN 27 -9.939 -8.654 3.542 166 HB3 GLN 27 2HB GLN 27 -9.628 -6.924 3.488 167 HG2 GLN 27 1HG GLN 27 -9.553 -6.862 1.216 168 HG3 GLN 27 2HG GLN 27 -8.973 -8.521 1.078 169 HE21 GLN 27 1HE2 GLN 27 -10.411 -10.157 0.855 170 HE22 GLN 27 2HE2 GLN 27 -12.118 -9.931 0.719 171 H TYR 28 H TYR 28 -8.225 -5.632 3.481 172 HA TYR 28 HA TYR 28 -5.841 -5.043 1.851 173 HB2 TYR 28 1HB TYR 28 -8.597 -3.900 1.811 174 HB3 TYR 28 2HB TYR 28 -7.249 -2.832 1.439 175 HD1 TYR 28 2HD TYR 28 -7.703 -6.430 0.592 176 HD2 TYR 28 1HD TYR 28 -7.426 -2.438 -0.852 177 HE1 TYR 28 2HE TYR 28 -7.680 -7.273 -1.718 178 HE2 TYR 28 1HE TYR 28 -7.403 -3.270 -3.166 179 HH TYR 28 HH TYR 28 -8.405 -5.702 -4.256 180 H ALA 29 H ALA 29 -5.171 -2.640 2.192 181 HA ALA 29 HA ALA 29 -5.295 -1.998 5.064 182 HB1 ALA 29 1HB ALA 29 -3.149 -3.066 4.539 183 HB2 ALA 29 2HB ALA 29 -2.835 -1.822 3.328 184 HB3 ALA 29 3HB ALA 29 -2.946 -1.384 5.033 185 H THR 30 H THR 30 -5.990 -0.006 5.450 186 HA THR 30 HA THR 30 -6.228 1.882 3.252 187 HB THR 30 HB THR 30 -7.168 2.193 6.109 188 HG1 THR 30 1HG THR 30 -8.501 0.657 5.459 189 HG21 THR 30 1HG2 THR 30 -8.734 3.585 4.167 190 HG22 THR 30 2HG2 THR 30 -7.037 4.015 3.949 191 HG23 THR 30 3HG2 THR 30 -7.809 4.241 5.518 192 H CYS 31 H CYS 31 -4.691 3.315 2.845 193 HA CYS 31 HA CYS 31 -2.486 3.786 4.537 194 HB2 CYS 31 1HB CYS 31 -2.675 4.101 1.986 195 HB3 CYS 31 2HB CYS 31 -3.361 5.677 2.365 196 H ARG 32 H ARG 32 -2.384 4.961 6.322 197 HA ARG 32 HA ARG 32 -4.509 6.776 7.027 198 HB2 ARG 32 1HB ARG 32 -1.930 6.195 8.495 199 HB3 ARG 32 2HB ARG 32 -3.348 7.001 9.153 200 HG2 ARG 32 1HG ARG 32 -4.613 5.017 9.135 201 HG3 ARG 32 2HG ARG 32 -3.444 4.191 8.103 202 HD2 ARG 32 1HD ARG 32 -3.298 3.454 10.442 203 HD3 ARG 32 2HD ARG 32 -1.807 4.215 9.891 204 HE ARG 32 HE ARG 32 -3.257 6.228 11.063 205 HH11 ARG 32 2HH1 ARG 32 -2.002 3.137 12.058 206 HH12 ARG 32 1HH1 ARG 32 -1.795 3.607 13.713 207 HH21 ARG 32 2HH2 ARG 32 -2.989 6.859 13.239 208 HH22 ARG 32 1HH2 ARG 32 -2.357 5.724 14.383 209 H LEU 33 H LEU 33 -1.935 7.113 5.060 210 HA LEU 33 HA LEU 33 -1.153 9.781 5.934 211 HB2 LEU 33 1HB LEU 33 -0.172 7.889 3.830 212 HB3 LEU 33 2HB LEU 33 0.297 9.588 3.804 213 HG LEU 33 HG LEU 33 0.900 7.574 5.968 214 HD11 LEU 33 1HD1 LEU 33 3.041 7.505 5.187 215 HD12 LEU 33 2HD1 LEU 33 2.959 9.119 4.484 216 HD13 LEU 33 3HD1 LEU 33 2.184 7.762 3.668 217 HD21 LEU 33 1HD2 LEU 33 0.958 9.325 7.348 218 HD22 LEU 33 2HD2 LEU 33 0.797 10.479 6.024 219 HD23 LEU 33 3HD2 LEU 33 2.387 9.845 6.454 220 H CYS 34 H CYS 34 -2.500 8.235 3.021 221 HA CYS 34 HA CYS 34 -3.583 10.861 2.239 222 HB2 CYS 34 1HB CYS 34 -3.589 10.022 -0.076 223 HB3 CYS 34 2HB CYS 34 -1.971 9.995 0.618 224 H GLY 35 H GLY 35 -4.267 7.418 2.555 225 HA2 GLY 35 1HA GLY 35 -6.433 6.748 3.407 226 HA3 GLY 35 2HA GLY 35 -7.140 8.083 2.511 227 H ARG 36 H ARG 36 -4.696 6.076 1.065 228 HA ARG 36 HA ARG 36 -6.693 5.112 -0.847 229 HB2 ARG 36 1HB ARG 36 -3.766 5.624 -0.945 230 HB3 ARG 36 2HB ARG 36 -4.391 4.330 -1.958 231 HG2 ARG 36 1HG ARG 36 -6.057 6.015 -2.848 232 HG3 ARG 36 2HG ARG 36 -5.091 7.248 -2.033 233 HD2 ARG 36 1HD ARG 36 -3.099 6.248 -3.296 234 HD3 ARG 36 2HD ARG 36 -4.304 5.434 -4.292 235 HE ARG 36 HE ARG 36 -3.601 8.216 -4.353 236 HH11 ARG 36 2HH1 ARG 36 -6.106 5.891 -5.011 237 HH12 ARG 36 1HH1 ARG 36 -6.897 6.882 -6.193 238 HH21 ARG 36 2HH2 ARG 36 -4.632 9.531 -5.906 239 HH22 ARG 36 1HH2 ARG 36 -6.057 8.952 -6.701 240 H GLN 37 H GLN 37 -7.005 2.954 -1.294 241 HA GLN 37 HA GLN 37 -6.292 1.125 0.819 242 HB2 GLN 37 1HB GLN 37 -7.822 0.594 -1.733 243 HB3 GLN 37 2HB GLN 37 -7.744 -0.457 -0.325 244 HG2 GLN 37 1HG GLN 37 -9.841 0.718 -0.354 245 HG3 GLN 37 2HG GLN 37 -8.867 1.271 1.008 246 HE21 GLN 37 1HE2 GLN 37 -9.827 3.244 1.218 247 HE22 GLN 37 2HE2 GLN 37 -9.691 4.501 0.040 248 H VAL 38 H VAL 38 -4.664 -0.283 0.815 249 HA VAL 38 HA VAL 38 -3.432 -1.026 -1.748 250 HB VAL 38 HB VAL 38 -1.904 -0.220 0.731 251 HG11 VAL 38 1HG1 VAL 38 -0.335 -0.500 -1.664 252 HG12 VAL 38 2HG1 VAL 38 -0.125 -1.271 -0.090 253 HG13 VAL 38 3HG1 VAL 38 -1.181 -2.003 -1.299 254 HG21 VAL 38 1HG2 VAL 38 -2.284 1.833 -0.114 255 HG22 VAL 38 2HG2 VAL 38 -1.009 1.390 -1.250 256 HG23 VAL 38 3HG2 VAL 38 -2.702 1.213 -1.712 257 H SER 39 H SER 39 -3.715 -3.147 -1.924 258 HA SER 39 HA SER 39 -3.723 -4.817 0.476 259 HB2 SER 39 1HB SER 39 -4.760 -6.509 -0.858 260 HB3 SER 39 2HB SER 39 -5.544 -4.986 -1.280 261 HG SER 39 HG SER 39 -3.606 -6.432 -2.749 262 H ARG 40 H ARG 40 -2.376 -6.605 0.737 263 HA ARG 40 HA ARG 40 0.165 -6.395 -0.682 264 HB2 ARG 40 1HB ARG 40 -0.556 -8.084 1.720 265 HB3 ARG 40 2HB ARG 40 1.061 -7.809 1.086 266 HG2 ARG 40 1HG ARG 40 1.178 -5.679 1.918 267 HG3 ARG 40 2HG ARG 40 -0.574 -5.463 1.905 268 HD2 ARG 40 1HD ARG 40 1.064 -7.092 3.837 269 HD3 ARG 40 2HD ARG 40 0.136 -5.633 4.181 270 HE ARG 40 HE ARG 40 -0.850 -8.302 4.093 271 HH11 ARG 40 2HH1 ARG 40 -1.707 -4.989 3.452 272 HH12 ARG 40 1HH1 ARG 40 -3.404 -5.245 3.694 273 HH21 ARG 40 2HH2 ARG 40 -3.081 -8.651 4.415 274 HH22 ARG 40 1HH2 ARG 40 -4.184 -7.328 4.242 275 H GLY 41 H GLY 41 -2.099 -8.978 0.295 276 HA2 GLY 41 1HA GLY 41 -2.659 -10.328 -1.871 277 HA3 GLY 41 2HA GLY 41 -0.945 -10.705 -1.777 278 HA PRO 42 HA PRO 42 -3.493 -13.809 0.667 279 HB2 PRO 42 1HB PRO 42 -2.748 -15.995 -0.760 280 HB3 PRO 42 2HB PRO 42 -4.153 -15.007 -1.179 281 HG2 PRO 42 1HG PRO 42 -1.397 -14.974 -2.348 282 HG3 PRO 42 2HG PRO 42 -2.964 -14.888 -3.174 283 HD2 PRO 42 1HD PRO 42 -1.444 -12.698 -2.704 284 HD3 PRO 42 2HD PRO 42 -3.218 -12.641 -2.729 285 H GLY 43 H GLY 43 -0.360 -12.940 0.130 286 HA2 GLY 43 1HA GLY 43 0.633 -14.174 2.454 287 HA3 GLY 43 2HA GLY 43 1.154 -15.111 1.062 288 H VAL 44 H VAL 44 1.035 -11.738 2.200 289 HA VAL 44 HA VAL 44 2.856 -10.579 0.523 290 HB VAL 44 HB VAL 44 1.587 -9.400 2.321 291 HG11 VAL 44 1HG1 VAL 44 3.825 -10.254 4.145 292 HG12 VAL 44 2HG1 VAL 44 2.373 -9.341 4.561 293 HG13 VAL 44 3HG1 VAL 44 2.248 -11.042 4.112 294 HG21 VAL 44 1HG2 VAL 44 3.037 -7.918 1.401 295 HG22 VAL 44 2HG2 VAL 44 3.761 -8.000 3.007 296 HG23 VAL 44 3HG2 VAL 44 4.441 -8.946 1.684 297 H ASN 45 H ASN 45 5.017 -10.579 0.238 298 HA ASN 45 HA ASN 45 6.560 -12.690 1.355 299 HB2 ASN 45 1HB ASN 45 8.469 -11.340 0.179 300 HB3 ASN 45 2HB ASN 45 7.241 -12.142 -0.796 301 HD21 ASN 45 1HD2 ASN 45 7.547 -10.747 -2.518 302 HD22 ASN 45 2HD2 ASN 45 7.001 -9.108 -2.487 303 H VAL 46 H VAL 46 8.353 -12.584 2.735 304 HA VAL 46 HA VAL 46 8.142 -10.587 4.797 305 HB VAL 46 HB VAL 46 10.106 -12.861 4.483 306 HG11 VAL 46 1HG1 VAL 46 9.617 -10.902 6.704 307 HG12 VAL 46 2HG1 VAL 46 10.336 -12.486 7.004 308 HG13 VAL 46 3HG1 VAL 46 11.141 -11.339 5.931 309 HG21 VAL 46 1HG2 VAL 46 8.554 -13.609 6.519 310 HG22 VAL 46 2HG2 VAL 46 7.381 -12.640 5.626 311 HG23 VAL 46 3HG2 VAL 46 8.175 -14.006 4.842 312 H GLY 47 H GLY 47 8.759 -8.644 3.811 313 HA2 GLY 47 1HA GLY 47 11.462 -7.948 4.012 314 HA3 GLY 47 2HA GLY 47 11.123 -8.280 2.320 315 H THR 48 H THR 48 10.497 -6.609 1.135 316 HA THR 48 HA THR 48 9.911 -4.086 2.393 317 HB THR 48 HB THR 48 9.933 -4.837 -0.537 318 HG1 THR 48 1HG THR 48 11.879 -3.630 1.160 319 HG21 THR 48 1HG2 THR 48 9.098 -2.434 0.839 320 HG22 THR 48 2HG2 THR 48 8.984 -2.844 -0.872 321 HG23 THR 48 3HG2 THR 48 10.458 -2.114 -0.237 322 H THR 49 H THR 49 7.933 -4.613 3.469 323 HA THR 49 HA THR 49 5.636 -5.685 2.534 324 HB THR 49 HB THR 49 5.341 -3.089 3.978 325 HG1 THR 49 1HG THR 49 6.408 -5.442 5.184 326 HG21 THR 49 1HG2 THR 49 3.315 -4.061 4.121 327 HG22 THR 49 2HG2 THR 49 4.053 -5.033 5.395 328 HG23 THR 49 3HG2 THR 49 3.952 -5.663 3.751 329 H ALA 50 H ALA 50 4.239 -5.311 0.941 330 HA ALA 50 HA ALA 50 4.525 -3.681 -1.167 331 HB1 ALA 50 1HB ALA 50 2.588 -4.578 -1.775 332 HB2 ALA 50 2HB ALA 50 2.435 -5.246 -0.150 333 HB3 ALA 50 3HB ALA 50 1.726 -3.676 -0.528 334 H LEU 51 H LEU 51 3.137 -2.737 1.929 335 HA LEU 51 HA LEU 51 2.084 -0.259 1.268 336 HB2 LEU 51 1HB LEU 51 3.543 -0.861 3.830 337 HB3 LEU 51 2HB LEU 51 2.244 0.304 3.578 338 HG LEU 51 HG LEU 51 1.897 -2.683 3.361 339 HD11 LEU 51 1HD1 LEU 51 1.752 -2.819 5.567 340 HD12 LEU 51 2HD1 LEU 51 0.569 -1.512 5.604 341 HD13 LEU 51 3HD1 LEU 51 2.292 -1.145 5.683 342 HD21 LEU 51 1HD2 LEU 51 0.294 -1.273 2.107 343 HD22 LEU 51 2HD2 LEU 51 -0.135 -0.470 3.617 344 HD23 LEU 51 3HD2 LEU 51 -0.459 -2.192 3.411 345 H TRP 52 H TRP 52 5.383 -1.033 2.353 346 HA TRP 52 HA TRP 52 6.489 1.474 2.428 347 HB2 TRP 52 1HB TRP 52 7.638 -1.186 1.625 348 HB3 TRP 52 2HB TRP 52 8.631 0.269 1.606 349 HD1 TRP 52 HD TRP 52 7.369 -2.390 3.894 350 HE1 TRP 52 1HE TRP 52 8.077 -1.880 6.316 351 HE3 TRP 52 3HE TRP 52 8.980 2.422 3.273 352 HZ2 TRP 52 2HZ TRP 52 9.173 0.277 7.770 353 HZ3 TRP 52 3HZ TRP 52 9.843 3.639 5.230 354 HH2 TRP 52 HH TRP 52 9.936 2.587 7.431 355 H LYS 53 H LYS 53 6.179 -0.626 -0.424 356 HA LYS 53 HA LYS 53 7.448 0.933 -2.307 357 HB2 LYS 53 1HB LYS 53 5.026 -0.846 -2.555 358 HB3 LYS 53 2HB LYS 53 5.790 -0.090 -3.947 359 HG2 LYS 53 1HG LYS 53 7.781 -1.312 -3.647 360 HG3 LYS 53 2HG LYS 53 7.306 -1.834 -2.029 361 HD2 LYS 53 1HD LYS 53 5.378 -3.046 -3.115 362 HD3 LYS 53 2HD LYS 53 6.136 -2.694 -4.670 363 HE2 LYS 53 1HE LYS 53 7.700 -4.016 -2.488 364 HE3 LYS 53 2HE LYS 53 6.607 -4.963 -3.496 365 HZ1 LYS 53 1HZ LYS 53 8.207 -3.295 -5.117 366 HZ2 LYS 53 2HZ LYS 53 8.108 -4.983 -5.104 367 HZ3 LYS 53 3HZ LYS 53 9.202 -4.193 -4.085 368 H HIS 54 H HIS 54 4.172 1.245 -1.042 369 HA HIS 54 HA HIS 54 3.412 3.327 -2.851 370 HB2 HIS 54 1HB HIS 54 1.721 1.897 -1.830 371 HB3 HIS 54 2HB HIS 54 2.193 2.448 -0.225 372 HD1 HIS 54 1HD HIS 54 0.918 4.038 -3.445 373 HD2 HIS 54 2HD HIS 54 0.609 4.436 0.679 374 HE1 HIS 54 1HE HIS 54 -0.735 5.897 -3.070 375 H LEU 55 H LEU 55 4.565 3.216 0.493 376 HA LEU 55 HA LEU 55 4.289 5.945 1.077 377 HB2 LEU 55 1HB LEU 55 6.231 3.897 2.129 378 HB3 LEU 55 2HB LEU 55 6.044 5.514 2.803 379 HG LEU 55 HG LEU 55 3.735 3.600 2.650 380 HD11 LEU 55 1HD1 LEU 55 4.864 3.753 5.274 381 HD12 LEU 55 2HD1 LEU 55 6.081 3.175 4.136 382 HD13 LEU 55 3HD1 LEU 55 4.539 2.333 4.280 383 HD21 LEU 55 1HD2 LEU 55 3.304 5.999 3.061 384 HD22 LEU 55 2HD2 LEU 55 4.333 5.912 4.491 385 HD23 LEU 55 3HD2 LEU 55 2.842 4.973 4.419 386 H LYS 56 H LYS 56 7.110 4.129 -0.110 387 HA LYS 56 HA LYS 56 8.723 6.472 -0.406 388 HB2 LYS 56 1HB LYS 56 9.142 3.764 -1.680 389 HB3 LYS 56 2HB LYS 56 10.356 5.009 -1.412 390 HG2 LYS 56 1HG LYS 56 10.589 4.507 0.789 391 HG3 LYS 56 2HG LYS 56 8.911 3.986 0.963 392 HD2 LYS 56 1HD LYS 56 10.074 1.990 1.139 393 HD3 LYS 56 2HD LYS 56 9.629 2.018 -0.569 394 HE2 LYS 56 1HE LYS 56 12.221 3.236 0.227 395 HE3 LYS 56 2HE LYS 56 12.097 1.478 0.233 396 HZ1 LYS 56 1HZ LYS 56 12.044 1.397 -1.989 397 HZ2 LYS 56 2HZ LYS 56 12.707 2.951 -1.924 398 HZ3 LYS 56 3HZ LYS 56 11.040 2.751 -2.136 399 H SER 57 H SER 57 6.172 5.233 -2.178 400 HA SER 57 HA SER 57 7.120 6.030 -4.791 401 HB2 SER 57 1HB SER 57 5.639 4.167 -4.790 402 HB3 SER 57 2HB SER 57 4.469 5.005 -3.771 403 HG SER 57 HG SER 57 4.863 5.143 -6.494 404 H MET 58 H MET 58 4.862 7.237 -2.352 405 HA MET 58 HA MET 58 4.834 9.814 -3.777 406 HB2 MET 58 1HB MET 58 2.538 10.166 -3.134 407 HB3 MET 58 2HB MET 58 2.659 8.621 -3.966 408 HG2 MET 58 1HG MET 58 2.298 7.402 -2.043 409 HG3 MET 58 2HG MET 58 2.803 8.721 -0.989 410 HE1 MET 58 1HE MET 58 0.678 9.404 -4.011 411 HE2 MET 58 2HE MET 58 -0.152 7.883 -3.684 412 HE3 MET 58 3HE MET 58 -0.992 9.415 -3.443 413 H HIS 59 H HIS 59 4.811 8.107 -0.714 414 HA HIS 59 HA HIS 59 5.087 10.612 0.765 415 HB2 HIS 59 1HB HIS 59 4.922 7.778 1.809 416 HB3 HIS 59 2HB HIS 59 4.838 9.250 2.771 417 HD1 HIS 59 1HD HIS 59 2.702 10.860 2.048 418 HD2 HIS 59 2HD HIS 59 2.493 6.815 1.119 419 HE1 HIS 59 1HE HIS 59 0.264 10.385 1.656 420 H ARG 60 H ARG 60 7.184 9.529 -1.036 421 HA ARG 60 HA ARG 60 9.300 8.355 0.320 422 HB2 ARG 60 1HB ARG 60 9.394 8.568 -2.062 423 HB3 ARG 60 2HB ARG 60 9.285 10.320 -1.969 424 HG2 ARG 60 1HG ARG 60 11.500 10.248 -0.736 425 HG3 ARG 60 2HG ARG 60 11.604 8.561 -1.244 426 HD2 ARG 60 1HD ARG 60 11.218 10.879 -3.131 427 HD3 ARG 60 2HD ARG 60 12.786 10.172 -2.743 428 HE ARG 60 HE ARG 60 12.226 8.285 -3.983 429 HH11 ARG 60 2HH1 ARG 60 9.564 10.522 -3.815 430 HH12 ARG 60 1HH1 ARG 60 8.671 9.757 -5.088 431 HH21 ARG 60 2HH2 ARG 60 11.060 7.269 -5.660 432 HH22 ARG 60 1HH2 ARG 60 9.522 7.906 -6.136 433 H GLU 61 H GLU 61 8.219 11.684 0.288 434 HA GLU 61 HA GLU 61 10.555 12.729 1.580 435 HB2 GLU 61 1HB GLU 61 7.826 13.834 0.970 436 HB3 GLU 61 2HB GLU 61 8.964 14.727 1.969 437 HG2 GLU 61 1HG GLU 61 9.554 13.772 -0.821 438 HG3 GLU 61 2HG GLU 61 8.962 15.384 -0.423 439 H GLU 62 H GLU 62 7.279 11.858 2.622 440 HA GLU 62 HA GLU 62 7.418 12.693 5.265 441 HB2 GLU 62 1HB GLU 62 5.856 10.635 3.794 442 HB3 GLU 62 2HB GLU 62 5.864 10.534 5.549 443 HG2 GLU 62 1HG GLU 62 3.959 11.811 4.587 444 HG3 GLU 62 2HG GLU 62 4.924 12.704 5.762 445 H LEU 63 H LEU 63 8.324 9.549 3.878 446 HA LEU 63 HA LEU 63 9.054 8.245 6.214 447 HB2 LEU 63 1HB LEU 63 10.321 8.006 3.489 448 HB3 LEU 63 2HB LEU 63 10.484 6.841 4.801 449 HG LEU 63 HG LEU 63 7.896 7.521 3.408 450 HD11 LEU 63 1HD1 LEU 63 9.507 6.376 1.936 451 HD12 LEU 63 2HD1 LEU 63 8.101 5.381 2.311 452 HD13 LEU 63 3HD1 LEU 63 9.636 5.077 3.122 453 HD21 LEU 63 1HD2 LEU 63 8.488 6.179 5.863 454 HD22 LEU 63 2HD2 LEU 63 7.818 5.026 4.709 455 HD23 LEU 63 3HD2 LEU 63 6.922 6.491 5.114 456 H GLU 64 H GLU 64 11.230 9.966 3.967 457 HA GLU 64 HA GLU 64 13.583 9.778 5.342 458 HB2 GLU 64 1HB GLU 64 12.566 12.216 3.871 459 HB3 GLU 64 2HB GLU 64 14.246 11.902 4.283 460 HG2 GLU 64 1HG GLU 64 12.724 9.917 2.658 461 HG3 GLU 64 2HG GLU 64 13.361 11.375 1.899 462 H LYS 65 H LYS 65 11.083 12.266 5.795 463 HA LYS 65 HA LYS 65 12.308 13.797 7.740 464 HB2 LYS 65 1HB LYS 65 9.402 13.108 7.320 465 HB3 LYS 65 2HB LYS 65 9.932 14.261 8.538 466 HG2 LYS 65 1HG LYS 65 11.163 15.375 6.517 467 HG3 LYS 65 2HG LYS 65 9.968 14.487 5.569 468 HD2 LYS 65 1HD LYS 65 8.174 15.529 6.898 469 HD3 LYS 65 2HD LYS 65 9.389 16.449 7.789 470 HE2 LYS 65 1HE LYS 65 9.080 16.583 4.798 471 HE3 LYS 65 2HE LYS 65 8.243 17.672 5.903 472 HZ1 LYS 65 1HZ LYS 65 10.193 18.771 5.218 473 HZ2 LYS 65 2HZ LYS 65 11.163 17.411 5.482 474 HZ3 LYS 65 3HZ LYS 65 10.501 18.245 6.796 475 H SER 66 H SER 66 10.629 10.726 8.066 476 HA SER 66 HA SER 66 10.818 10.766 10.956 477 HB2 SER 66 1HB SER 66 9.813 8.694 8.998 478 HB3 SER 66 2HB SER 66 9.849 8.440 10.742 479 HG SER 66 HG SER 66 7.974 9.385 10.695 480 H GLY 67 H GLY 67 13.292 10.909 9.451 481 HA2 GLY 67 1HA GLY 67 15.380 9.946 9.360 482 HA3 GLY 67 2HA GLY 67 14.951 9.303 10.939 483 H HIS 68 H HIS 68 13.776 8.605 7.649 484 HA HIS 68 HA HIS 68 14.403 5.770 8.149 485 HB2 HIS 68 1HB HIS 68 12.107 7.105 6.775 486 HB3 HIS 68 2HB HIS 68 12.607 5.505 6.234 487 HD1 HIS 68 1HD HIS 68 13.237 4.245 8.986 488 HD2 HIS 68 2HD HIS 68 9.833 6.472 8.141 489 HE1 HIS 68 1HE HIS 68 11.523 3.521 10.678 490 H GLY 69 H GLY 69 16.280 5.339 7.157 491 HA2 GLY 69 1HA GLY 69 16.447 5.914 4.283 492 HA3 GLY 69 2HA GLY 69 17.765 6.439 5.320 493 H GLN 70 H GLN 70 17.349 4.329 3.098 494 HA GLN 70 HA GLN 70 18.257 2.317 2.552 495 HB2 GLN 70 1HB GLN 70 19.823 3.027 5.009 496 HB3 GLN 70 2HB GLN 70 20.046 1.460 4.243 497 HG2 GLN 70 1HG GLN 70 20.249 3.984 2.652 498 HG3 GLN 70 2HG GLN 70 21.611 3.397 3.605 499 HE21 GLN 70 1HE2 GLN 70 20.758 3.584 0.613 500 HE22 GLN 70 2HE2 GLN 70 21.268 2.059 -0.017 501 H SER 71 H SER 71 15.785 2.376 3.971 502 HA SER 71 HA SER 71 15.842 0.225 5.901 503 HB2 SER 71 1HB SER 71 13.429 1.552 4.649 504 HB3 SER 71 2HB SER 71 13.469 0.599 6.133 505 HG SER 71 HG SER 71 13.512 2.999 6.307 506 H GLY 72 H GLY 72 16.835 -0.492 3.337 507 HA2 GLY 72 1HA GLY 72 15.888 -2.975 2.894 508 HA3 GLY 72 2HA GLY 72 14.756 -1.987 1.982 509 HA PRO 73 HA PRO 73 19.104 -2.533 -0.110 510 HB2 PRO 73 1HB PRO 73 19.116 -5.109 -0.965 511 HB3 PRO 73 2HB PRO 73 19.812 -4.606 0.580 512 HG2 PRO 73 1HG PRO 73 17.147 -5.849 0.018 513 HG3 PRO 73 2HG PRO 73 18.297 -6.207 1.320 514 HD2 PRO 73 1HD PRO 73 16.104 -4.663 1.696 515 HD3 PRO 73 2HD PRO 73 17.619 -4.404 2.585 516 H SER 74 H SER 74 15.845 -3.107 -0.718 517 HA SER 74 HA SER 74 16.132 -3.484 -3.585 518 HB2 SER 74 1HB SER 74 13.668 -3.555 -3.599 519 HB3 SER 74 2HB SER 74 14.335 -4.672 -2.408 520 HG SER 74 HG SER 74 12.511 -3.041 -1.876 521 H SER 75 H SER 75 17.342 -1.156 -2.846 522 HA SER 75 HA SER 75 15.443 0.964 -3.582 523 HB2 SER 75 1HB SER 75 16.859 1.130 -1.446 524 HB3 SER 75 2HB SER 75 18.231 1.404 -2.520 525 HG SER 75 HG SER 75 16.733 3.243 -1.645 526 H GLY 76 H GLY 76 16.315 -0.755 -5.602 527 HA2 GLY 76 1HA GLY 76 18.553 0.383 -6.997 528 HA3 GLY 76 2HA GLY 76 17.439 -0.826 -7.620 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.881 -22.154 12.406 2 HA2 GLY 1 1HA GLY 1 12.511 -20.709 11.390 3 HA3 GLY 1 2HA GLY 1 12.893 -20.860 13.099 4 H SER 2 H SER 2 14.309 -19.653 10.063 5 HA SER 2 HA SER 2 15.667 -17.559 11.616 6 HB2 SER 2 1HB SER 2 16.172 -18.473 8.773 7 HB3 SER 2 2HB SER 2 17.111 -17.266 9.652 8 HG SER 2 HG SER 2 17.873 -19.572 9.594 9 H SER 3 H SER 3 14.479 -15.773 11.769 10 HA SER 3 HA SER 3 12.753 -14.982 9.545 11 HB2 SER 3 1HB SER 3 12.041 -15.053 12.049 12 HB3 SER 3 2HB SER 3 12.915 -13.526 12.170 13 HG SER 3 HG SER 3 11.562 -12.721 10.504 14 H GLY 4 H GLY 4 15.320 -13.640 11.607 15 HA2 GLY 4 1HA GLY 4 16.996 -12.147 11.037 16 HA3 GLY 4 2HA GLY 4 16.354 -12.103 9.402 17 H SER 5 H SER 5 16.907 -9.781 9.664 18 HA SER 5 HA SER 5 15.434 -8.142 11.455 19 HB2 SER 5 1HB SER 5 16.982 -7.535 8.933 20 HB3 SER 5 2HB SER 5 16.195 -6.282 9.893 21 HG SER 5 HG SER 5 17.586 -6.622 11.515 22 H SER 6 H SER 6 13.687 -6.760 11.043 23 HA SER 6 HA SER 6 12.218 -7.130 8.545 24 HB2 SER 6 1HB SER 6 11.176 -7.814 11.288 25 HB3 SER 6 2HB SER 6 10.087 -7.396 9.965 26 HG SER 6 HG SER 6 10.608 -9.210 8.934 27 H GLY 7 H GLY 7 10.304 -5.615 8.438 28 HA2 GLY 7 1HA GLY 7 10.634 -3.219 10.093 29 HA3 GLY 7 2HA GLY 7 10.822 -3.048 8.354 30 H SER 8 H SER 8 8.569 -3.841 10.932 31 HA SER 8 HA SER 8 6.319 -3.733 9.074 32 HB2 SER 8 1HB SER 8 4.972 -4.369 11.091 33 HB3 SER 8 2HB SER 8 6.233 -5.532 10.681 34 HG SER 8 HG SER 8 5.949 -4.715 12.988 35 H GLU 9 H GLU 9 8.006 -1.380 9.918 36 HA GLU 9 HA GLU 9 6.408 0.274 11.590 37 HB2 GLU 9 1HB GLU 9 8.836 0.618 11.241 38 HB3 GLU 9 2HB GLU 9 8.514 1.080 9.576 39 HG2 GLU 9 1HG GLU 9 8.701 3.123 10.594 40 HG3 GLU 9 2HG GLU 9 6.959 2.862 10.649 41 H ALA 10 H ALA 10 6.623 -0.223 8.117 42 HA ALA 10 HA ALA 10 5.248 1.941 7.131 43 HB1 ALA 10 1HB ALA 10 5.031 -0.919 6.197 44 HB2 ALA 10 2HB ALA 10 4.569 0.506 5.265 45 HB3 ALA 10 3HB ALA 10 6.258 0.248 5.703 46 H TRP 11 H TRP 11 3.956 -0.917 8.726 47 HA TRP 11 HA TRP 11 1.262 -0.655 8.138 48 HB2 TRP 11 1HB TRP 11 2.761 -1.771 10.479 49 HB3 TRP 11 2HB TRP 11 1.005 -1.653 10.553 50 HD1 TRP 11 HD TRP 11 3.506 -4.095 9.752 51 HE1 TRP 11 1HE TRP 11 2.614 -5.921 8.172 52 HE3 TRP 11 3HE TRP 11 -0.733 -1.752 8.117 53 HZ2 TRP 11 2HZ TRP 11 0.405 -6.315 6.459 54 HZ3 TRP 11 3HZ TRP 11 -2.181 -2.922 6.508 55 HH2 TRP 11 HH TRP 11 -1.622 -5.156 5.697 56 H GLU 12 H GLU 12 3.255 1.199 10.310 57 HA GLU 12 HA GLU 12 1.250 2.355 11.900 58 HB2 GLU 12 1HB GLU 12 3.918 3.496 11.051 59 HB3 GLU 12 2HB GLU 12 2.910 4.142 12.337 60 HG2 GLU 12 1HG GLU 12 3.097 1.674 13.248 61 HG3 GLU 12 2HG GLU 12 4.567 1.682 12.276 62 H TYR 13 H TYR 13 1.755 2.632 8.614 63 HA TYR 13 HA TYR 13 0.356 5.224 8.518 64 HB2 TYR 13 1HB TYR 13 2.077 4.049 6.331 65 HB3 TYR 13 2HB TYR 13 1.400 5.672 6.400 66 HD1 TYR 13 2HD TYR 13 4.012 3.444 7.689 67 HD2 TYR 13 1HD TYR 13 2.415 7.387 7.773 68 HE1 TYR 13 2HE TYR 13 6.067 4.247 8.777 69 HE2 TYR 13 1HE TYR 13 4.466 8.201 8.860 70 HH TYR 13 HH TYR 13 7.043 7.255 8.869 71 H PHE 14 H PHE 14 -0.569 2.312 8.631 72 HA PHE 14 HA PHE 14 -2.651 2.622 6.639 73 HB2 PHE 14 1HB PHE 14 -0.828 0.208 6.650 74 HB3 PHE 14 2HB PHE 14 -2.323 0.335 5.729 75 HD1 PHE 14 1HD PHE 14 0.980 1.975 6.187 76 HD2 PHE 14 2HD PHE 14 -2.293 1.199 3.580 77 HE1 PHE 14 1HE PHE 14 2.221 3.005 4.329 78 HE2 PHE 14 2HE PHE 14 -1.057 2.227 1.717 79 HZ PHE 14 HZ PHE 14 1.203 3.131 2.090 80 H HIS 15 H HIS 15 -4.456 1.193 6.983 81 HA HIS 15 HA HIS 15 -4.453 -0.310 9.490 82 HB2 HIS 15 1HB HIS 15 -6.104 0.892 10.533 83 HB3 HIS 15 2HB HIS 15 -5.333 2.196 9.636 84 HD1 HIS 15 1HD HIS 15 -8.161 -0.282 9.000 85 HD2 HIS 15 2HD HIS 15 -7.140 3.685 8.302 86 HE1 HIS 15 1HE HIS 15 -10.148 0.729 7.836 87 H LEU 16 H LEU 16 -5.440 -2.206 9.256 88 HA LEU 16 HA LEU 16 -6.576 -2.999 6.795 89 HB2 LEU 16 1HB LEU 16 -6.641 -4.290 9.516 90 HB3 LEU 16 2HB LEU 16 -7.227 -5.060 8.043 91 HG LEU 16 HG LEU 16 -4.380 -4.144 8.393 92 HD11 LEU 16 1HD1 LEU 16 -5.328 -5.957 10.034 93 HD12 LEU 16 2HD1 LEU 16 -3.758 -6.169 9.260 94 HD13 LEU 16 3HD1 LEU 16 -5.175 -7.004 8.623 95 HD21 LEU 16 1HD2 LEU 16 -5.391 -4.544 6.092 96 HD22 LEU 16 2HD2 LEU 16 -5.480 -6.246 6.548 97 HD23 LEU 16 3HD2 LEU 16 -3.917 -5.431 6.482 98 H ALA 17 H ALA 17 -8.673 -3.311 6.158 99 HA ALA 17 HA ALA 17 -10.689 -1.871 7.698 100 HB1 ALA 17 1HB ALA 17 -12.070 -2.268 5.593 101 HB2 ALA 17 2HB ALA 17 -10.670 -1.204 5.450 102 HB3 ALA 17 3HB ALA 17 -10.577 -2.866 4.867 103 HA PRO 18 HA PRO 18 -12.605 -5.516 9.261 104 HB2 PRO 18 1HB PRO 18 -15.093 -4.526 9.712 105 HB3 PRO 18 2HB PRO 18 -13.701 -4.127 10.727 106 HG2 PRO 18 1HG PRO 18 -14.942 -2.547 8.508 107 HG3 PRO 18 2HG PRO 18 -14.363 -1.991 10.089 108 HD2 PRO 18 1HD PRO 18 -12.916 -1.692 7.820 109 HD3 PRO 18 2HD PRO 18 -12.162 -1.945 9.407 110 H ALA 19 H ALA 19 -13.876 -7.205 8.581 111 HA ALA 19 HA ALA 19 -15.164 -6.873 5.953 112 HB1 ALA 19 1HB ALA 19 -13.515 -8.435 5.583 113 HB2 ALA 19 2HB ALA 19 -13.667 -9.137 7.195 114 HB3 ALA 19 3HB ALA 19 -14.891 -9.470 5.969 115 H ARG 20 H ARG 20 -17.095 -8.139 5.538 116 HA ARG 20 HA ARG 20 -18.693 -8.525 7.982 117 HB2 ARG 20 1HB ARG 20 -20.669 -8.067 6.573 118 HB3 ARG 20 2HB ARG 20 -19.544 -6.716 6.606 119 HG2 ARG 20 1HG ARG 20 -18.689 -7.347 4.422 120 HG3 ARG 20 2HG ARG 20 -19.768 -8.743 4.391 121 HD2 ARG 20 1HD ARG 20 -20.869 -7.119 3.113 122 HD3 ARG 20 2HD ARG 20 -21.666 -7.061 4.684 123 HE ARG 20 HE ARG 20 -20.763 -4.960 5.048 124 HH11 ARG 20 2HH1 ARG 20 -19.467 -6.366 2.138 125 HH12 ARG 20 1HH1 ARG 20 -18.764 -4.885 1.580 126 HH21 ARG 20 2HH2 ARG 20 -19.841 -3.003 4.323 127 HH22 ARG 20 1HH2 ARG 20 -18.976 -2.973 2.824 128 H ALA 21 H ALA 21 -18.113 -9.787 4.718 129 HA ALA 21 HA ALA 21 -19.660 -12.171 5.211 130 HB1 ALA 21 1HB ALA 21 -17.919 -12.386 2.932 131 HB2 ALA 21 2HB ALA 21 -19.680 -12.317 2.995 132 HB3 ALA 21 3HB ALA 21 -18.741 -10.825 2.938 133 H GLY 22 H GLY 22 -18.488 -14.318 4.498 134 HA2 GLY 22 1HA GLY 22 -16.888 -15.216 6.497 135 HA3 GLY 22 2HA GLY 22 -16.826 -15.880 4.871 136 H HIS 23 H HIS 23 -15.804 -13.525 3.599 137 HA HIS 23 HA HIS 23 -13.117 -13.945 3.608 138 HB2 HIS 23 1HB HIS 23 -14.811 -11.598 2.922 139 HB3 HIS 23 2HB HIS 23 -13.074 -11.331 3.041 140 HD1 HIS 23 1HD HIS 23 -15.537 -12.142 0.635 141 HD2 HIS 23 2HD HIS 23 -11.662 -13.450 1.364 142 HE1 HIS 23 1HE HIS 23 -14.760 -13.175 -1.521 143 H HIS 24 H HIS 24 -11.574 -13.780 5.084 144 HA HIS 24 HA HIS 24 -11.863 -12.916 7.669 145 HB2 HIS 24 1HB HIS 24 -9.295 -12.579 7.565 146 HB3 HIS 24 2HB HIS 24 -9.947 -14.186 7.257 147 HD1 HIS 24 1HD HIS 24 -8.847 -11.150 5.243 148 HD2 HIS 24 2HD HIS 24 -9.022 -15.292 4.968 149 HE1 HIS 24 1HE HIS 24 -7.722 -11.728 3.069 150 HA PRO 25 HA PRO 25 -11.824 -8.530 7.752 151 HB2 PRO 25 1HB PRO 25 -10.403 -8.026 10.009 152 HB3 PRO 25 2HB PRO 25 -12.046 -8.677 10.034 153 HG2 PRO 25 1HG PRO 25 -9.435 -10.112 10.326 154 HG3 PRO 25 2HG PRO 25 -10.938 -10.326 11.243 155 HD2 PRO 25 1HD PRO 25 -10.205 -11.990 9.236 156 HD3 PRO 25 2HD PRO 25 -11.903 -11.621 9.599 157 H ASN 26 H ASN 26 -9.135 -10.258 6.970 158 HA ASN 26 HA ASN 26 -7.424 -7.872 6.763 159 HB2 ASN 26 1HB ASN 26 -6.675 -10.804 6.686 160 HB3 ASN 26 2HB ASN 26 -5.545 -9.468 6.486 161 HD21 ASN 26 1HD2 ASN 26 -4.318 -9.772 8.259 162 HD22 ASN 26 2HD2 ASN 26 -4.908 -9.665 9.880 163 H GLN 27 H GLN 27 -8.659 -7.198 4.884 164 HA GLN 27 HA GLN 27 -8.160 -8.805 2.476 165 HB2 GLN 27 1HB GLN 27 -10.517 -8.119 3.028 166 HB3 GLN 27 2HB GLN 27 -10.028 -6.450 2.768 167 HG2 GLN 27 1HG GLN 27 -9.544 -6.883 0.466 168 HG3 GLN 27 2HG GLN 27 -9.808 -8.612 0.690 169 HE21 GLN 27 1HE2 GLN 27 -11.551 -5.599 1.403 170 HE22 GLN 27 2HE2 GLN 27 -13.068 -6.128 0.768 171 H TYR 28 H TYR 28 -8.527 -5.311 3.061 172 HA TYR 28 HA TYR 28 -6.033 -4.896 1.546 173 HB2 TYR 28 1HB TYR 28 -8.701 -3.608 1.301 174 HB3 TYR 28 2HB TYR 28 -7.291 -2.574 1.101 175 HD1 TYR 28 2HD TYR 28 -7.735 -6.126 0.083 176 HD2 TYR 28 1HD TYR 28 -7.266 -2.091 -1.184 177 HE1 TYR 28 2HE TYR 28 -7.511 -6.889 -2.245 178 HE2 TYR 28 1HE TYR 28 -7.042 -2.843 -3.515 179 HH TYR 28 HH TYR 28 -7.861 -5.931 -4.536 180 H ALA 29 H ALA 29 -5.075 -2.677 1.976 181 HA ALA 29 HA ALA 29 -5.277 -2.084 4.856 182 HB1 ALA 29 1HB ALA 29 -2.859 -1.647 3.114 183 HB2 ALA 29 2HB ALA 29 -2.958 -1.530 4.872 184 HB3 ALA 29 3HB ALA 29 -3.125 -3.097 4.082 185 H THR 30 H THR 30 -6.045 -0.149 5.359 186 HA THR 30 HA THR 30 -6.342 1.873 3.295 187 HB THR 30 HB THR 30 -7.255 1.951 6.177 188 HG1 THR 30 1HG THR 30 -8.733 0.610 5.489 189 HG21 THR 30 1HG2 THR 30 -8.206 3.953 5.764 190 HG22 THR 30 2HG2 THR 30 -8.666 3.506 4.121 191 HG23 THR 30 3HG2 THR 30 -7.023 4.049 4.460 192 H CYS 31 H CYS 31 -4.692 3.199 2.923 193 HA CYS 31 HA CYS 31 -2.552 3.666 4.677 194 HB2 CYS 31 1HB CYS 31 -2.776 4.058 2.100 195 HB3 CYS 31 2HB CYS 31 -3.325 5.661 2.576 196 H ARG 32 H ARG 32 -2.466 4.825 6.474 197 HA ARG 32 HA ARG 32 -4.607 6.639 7.158 198 HB2 ARG 32 1HB ARG 32 -2.096 5.931 8.686 199 HB3 ARG 32 2HB ARG 32 -3.473 6.821 9.323 200 HG2 ARG 32 1HG ARG 32 -4.881 4.899 9.156 201 HG3 ARG 32 2HG ARG 32 -3.634 4.001 8.289 202 HD2 ARG 32 1HD ARG 32 -3.343 3.170 10.402 203 HD3 ARG 32 2HD ARG 32 -2.218 4.528 10.439 204 HE ARG 32 HE ARG 32 -4.840 5.234 11.344 205 HH11 ARG 32 2HH1 ARG 32 -1.811 3.797 12.284 206 HH12 ARG 32 1HH1 ARG 32 -2.005 4.172 13.964 207 HH21 ARG 32 2HH2 ARG 32 -5.107 5.733 13.554 208 HH22 ARG 32 1HH2 ARG 32 -3.881 5.272 14.686 209 H LEU 33 H LEU 33 -1.951 6.976 5.298 210 HA LEU 33 HA LEU 33 -1.191 9.626 6.253 211 HB2 LEU 33 1HB LEU 33 -0.078 7.694 4.270 212 HB3 LEU 33 2HB LEU 33 0.344 9.400 4.143 213 HG LEU 33 HG LEU 33 0.882 7.606 6.510 214 HD11 LEU 33 1HD1 LEU 33 2.968 7.286 5.735 215 HD12 LEU 33 2HD1 LEU 33 3.077 8.906 5.048 216 HD13 LEU 33 3HD1 LEU 33 2.232 7.632 4.170 217 HD21 LEU 33 1HD2 LEU 33 1.128 10.540 6.077 218 HD22 LEU 33 2HD2 LEU 33 2.367 9.721 7.027 219 HD23 LEU 33 3HD2 LEU 33 0.677 9.644 7.528 220 H CYS 34 H CYS 34 -2.422 8.101 3.283 221 HA CYS 34 HA CYS 34 -3.370 10.752 2.415 222 HB2 CYS 34 1HB CYS 34 -3.302 9.910 0.128 223 HB3 CYS 34 2HB CYS 34 -1.729 9.709 0.894 224 H GLY 35 H GLY 35 -4.229 7.352 2.781 225 HA2 GLY 35 1HA GLY 35 -6.441 6.778 3.562 226 HA3 GLY 35 2HA GLY 35 -7.063 8.153 2.662 227 H ARG 36 H ARG 36 -4.693 6.049 1.238 228 HA ARG 36 HA ARG 36 -6.721 5.155 -0.682 229 HB2 ARG 36 1HB ARG 36 -3.746 5.499 -0.811 230 HB3 ARG 36 2HB ARG 36 -4.551 4.413 -1.936 231 HG2 ARG 36 1HG ARG 36 -6.099 6.535 -2.292 232 HG3 ARG 36 2HG ARG 36 -4.639 7.368 -1.754 233 HD2 ARG 36 1HD ARG 36 -3.451 5.853 -3.499 234 HD3 ARG 36 2HD ARG 36 -5.069 5.665 -4.175 235 HE ARG 36 HE ARG 36 -4.287 8.400 -3.727 236 HH11 ARG 36 2HH1 ARG 36 -4.252 5.724 -5.953 237 HH12 ARG 36 1HH1 ARG 36 -4.068 6.724 -7.356 238 HH21 ARG 36 2HH2 ARG 36 -4.044 9.727 -5.566 239 HH22 ARG 36 1HH2 ARG 36 -3.948 9.001 -7.134 240 H GLN 37 H GLN 37 -6.991 2.993 -1.211 241 HA GLN 37 HA GLN 37 -6.231 1.131 0.880 242 HB2 GLN 37 1HB GLN 37 -7.892 0.584 -1.581 243 HB3 GLN 37 2HB GLN 37 -7.811 -0.382 -0.114 244 HG2 GLN 37 1HG GLN 37 -8.688 1.744 1.057 245 HG3 GLN 37 2HG GLN 37 -9.151 2.248 -0.567 246 HE21 GLN 37 1HE2 GLN 37 -9.840 0.190 2.087 247 HE22 GLN 37 2HE2 GLN 37 -11.277 -0.526 1.448 248 H VAL 38 H VAL 38 -4.633 -0.304 0.749 249 HA VAL 38 HA VAL 38 -3.569 -1.008 -1.901 250 HB VAL 38 HB VAL 38 -1.852 -0.381 0.504 251 HG11 VAL 38 1HG1 VAL 38 -1.277 -2.058 -1.555 252 HG12 VAL 38 2HG1 VAL 38 -0.656 -0.525 -2.171 253 HG13 VAL 38 3HG1 VAL 38 -0.076 -1.157 -0.630 254 HG21 VAL 38 1HG2 VAL 38 -2.743 1.258 -1.808 255 HG22 VAL 38 2HG2 VAL 38 -2.430 1.733 -0.139 256 HG23 VAL 38 3HG2 VAL 38 -1.084 1.453 -1.243 257 H SER 39 H SER 39 -3.531 -3.131 -2.188 258 HA SER 39 HA SER 39 -4.020 -4.922 0.011 259 HB2 SER 39 1HB SER 39 -3.920 -6.685 -1.782 260 HB3 SER 39 2HB SER 39 -5.108 -5.416 -2.077 261 HG SER 39 HG SER 39 -4.098 -5.005 -3.859 262 H ARG 40 H ARG 40 -2.688 -6.715 0.592 263 HA ARG 40 HA ARG 40 0.082 -6.027 0.775 264 HB2 ARG 40 1HB ARG 40 -1.321 -8.589 1.560 265 HB3 ARG 40 2HB ARG 40 0.300 -8.109 2.047 266 HG2 ARG 40 1HG ARG 40 -1.005 -5.989 2.955 267 HG3 ARG 40 2HG ARG 40 -2.335 -7.148 3.001 268 HD2 ARG 40 1HD ARG 40 0.367 -7.643 4.238 269 HD3 ARG 40 2HD ARG 40 -1.005 -6.972 5.119 270 HE ARG 40 HE ARG 40 -0.624 -9.714 4.318 271 HH11 ARG 40 2HH1 ARG 40 -2.924 -7.279 5.267 272 HH12 ARG 40 1HH1 ARG 40 -4.105 -8.422 5.815 273 HH21 ARG 40 2HH2 ARG 40 -2.171 -11.228 5.037 274 HH22 ARG 40 1HH2 ARG 40 -3.675 -10.668 5.685 275 H GLY 41 H GLY 41 -1.544 -8.916 -0.563 276 HA2 GLY 41 1HA GLY 41 -1.096 -9.930 -2.632 277 HA3 GLY 41 2HA GLY 41 0.326 -8.911 -2.799 278 HA PRO 42 HA PRO 42 1.404 -13.315 -1.416 279 HB2 PRO 42 1HB PRO 42 2.585 -14.133 -3.720 280 HB3 PRO 42 2HB PRO 42 0.863 -14.357 -3.391 281 HG2 PRO 42 1HG PRO 42 2.220 -12.249 -5.027 282 HG3 PRO 42 2HG PRO 42 0.743 -13.164 -5.383 283 HD2 PRO 42 1HD PRO 42 0.694 -10.630 -4.430 284 HD3 PRO 42 2HD PRO 42 -0.562 -11.822 -4.038 285 H GLY 43 H GLY 43 2.953 -12.417 -0.048 286 HA2 GLY 43 1HA GLY 43 5.433 -12.737 0.099 287 HA3 GLY 43 2HA GLY 43 5.522 -11.720 -1.332 288 H VAL 44 H VAL 44 3.634 -11.406 1.667 289 HA VAL 44 HA VAL 44 4.712 -8.688 1.952 290 HB VAL 44 HB VAL 44 2.205 -9.064 1.835 291 HG11 VAL 44 1HG1 VAL 44 1.146 -10.375 3.292 292 HG12 VAL 44 2HG1 VAL 44 2.736 -10.973 3.771 293 HG13 VAL 44 3HG1 VAL 44 1.983 -9.651 4.664 294 HG21 VAL 44 1HG2 VAL 44 2.692 -7.774 4.440 295 HG22 VAL 44 2HG2 VAL 44 3.658 -7.173 3.093 296 HG23 VAL 44 3HG2 VAL 44 1.897 -7.150 2.995 297 H ASN 45 H ASN 45 5.021 -7.915 4.214 298 HA ASN 45 HA ASN 45 6.335 -8.045 6.082 299 HB2 ASN 45 1HB ASN 45 5.517 -9.639 7.770 300 HB3 ASN 45 2HB ASN 45 4.185 -8.815 6.965 301 HD21 ASN 45 1HD2 ASN 45 5.965 -11.813 7.213 302 HD22 ASN 45 2HD2 ASN 45 4.734 -12.823 6.540 303 H VAL 46 H VAL 46 7.651 -9.101 3.893 304 HA VAL 46 HA VAL 46 9.165 -11.315 5.117 305 HB VAL 46 HB VAL 46 8.526 -10.915 2.193 306 HG11 VAL 46 1HG1 VAL 46 9.884 -12.891 1.763 307 HG12 VAL 46 2HG1 VAL 46 10.858 -11.609 2.486 308 HG13 VAL 46 3HG1 VAL 46 10.324 -12.974 3.468 309 HG21 VAL 46 1HG2 VAL 46 6.997 -12.541 2.395 310 HG22 VAL 46 2HG2 VAL 46 8.024 -13.506 3.456 311 HG23 VAL 46 3HG2 VAL 46 7.063 -12.184 4.121 312 H GLY 47 H GLY 47 9.263 -8.487 2.992 313 HA2 GLY 47 1HA GLY 47 11.985 -7.955 3.897 314 HA3 GLY 47 2HA GLY 47 11.768 -8.194 2.170 315 H THR 48 H THR 48 9.627 -6.875 1.446 316 HA THR 48 HA THR 48 9.870 -4.159 2.553 317 HB THR 48 HB THR 48 9.681 -4.769 -0.401 318 HG1 THR 48 1HG THR 48 11.947 -3.595 0.765 319 HG21 THR 48 1HG2 THR 48 10.176 -2.188 1.089 320 HG22 THR 48 2HG2 THR 48 8.686 -2.632 0.256 321 HG23 THR 48 3HG2 THR 48 10.169 -2.382 -0.663 322 H THR 49 H THR 49 7.900 -4.524 3.662 323 HA THR 49 HA THR 49 5.535 -5.516 2.878 324 HB THR 49 HB THR 49 5.368 -2.792 4.077 325 HG1 THR 49 1HG THR 49 6.012 -3.976 6.120 326 HG21 THR 49 1HG2 THR 49 4.071 -4.484 5.734 327 HG22 THR 49 2HG2 THR 49 3.955 -5.380 4.219 328 HG23 THR 49 3HG2 THR 49 3.326 -3.736 4.323 329 H ALA 50 H ALA 50 4.155 -5.247 1.255 330 HA ALA 50 HA ALA 50 4.471 -3.760 -0.968 331 HB1 ALA 50 1HB ALA 50 1.684 -3.708 -0.488 332 HB2 ALA 50 2HB ALA 50 2.602 -4.832 -1.491 333 HB3 ALA 50 3HB ALA 50 2.317 -5.199 0.210 334 H LEU 51 H LEU 51 3.207 -2.619 2.090 335 HA LEU 51 HA LEU 51 2.122 -0.176 1.213 336 HB2 LEU 51 1HB LEU 51 3.411 -0.610 3.891 337 HB3 LEU 51 2HB LEU 51 2.083 0.474 3.483 338 HG LEU 51 HG LEU 51 1.881 -2.535 3.438 339 HD11 LEU 51 1HD1 LEU 51 2.347 -1.532 5.706 340 HD12 LEU 51 2HD1 LEU 51 0.850 -2.452 5.561 341 HD13 LEU 51 3HD1 LEU 51 0.805 -0.689 5.554 342 HD21 LEU 51 1HD2 LEU 51 -0.375 -0.573 3.602 343 HD22 LEU 51 2HD2 LEU 51 -0.396 -2.256 3.076 344 HD23 LEU 51 3HD2 LEU 51 0.324 -1.019 2.045 345 H TRP 52 H TRP 52 5.363 -1.035 2.358 346 HA TRP 52 HA TRP 52 6.528 1.456 2.491 347 HB2 TRP 52 1HB TRP 52 7.598 -1.253 1.777 348 HB3 TRP 52 2HB TRP 52 8.648 0.158 1.676 349 HD1 TRP 52 HD TRP 52 7.311 -2.330 4.106 350 HE1 TRP 52 1HE TRP 52 8.059 -1.724 6.493 351 HE3 TRP 52 3HE TRP 52 9.087 2.382 3.228 352 HZ2 TRP 52 2HZ TRP 52 9.244 0.463 7.827 353 HZ3 TRP 52 3HZ TRP 52 10.011 3.665 5.113 354 HH2 TRP 52 HH TRP 52 10.087 2.724 7.365 355 H LYS 53 H LYS 53 6.009 -0.572 -0.358 356 HA LYS 53 HA LYS 53 7.432 0.976 -2.209 357 HB2 LYS 53 1HB LYS 53 5.204 -1.008 -2.400 358 HB3 LYS 53 2HB LYS 53 5.620 -0.063 -3.823 359 HG2 LYS 53 1HG LYS 53 6.892 -1.961 -4.101 360 HG3 LYS 53 2HG LYS 53 8.038 -0.854 -3.341 361 HD2 LYS 53 1HD LYS 53 8.380 -2.688 -2.030 362 HD3 LYS 53 2HD LYS 53 7.050 -1.951 -1.134 363 HE2 LYS 53 1HE LYS 53 6.395 -4.172 -1.323 364 HE3 LYS 53 2HE LYS 53 5.533 -3.388 -2.645 365 HZ1 LYS 53 1HZ LYS 53 6.488 -4.811 -4.023 366 HZ2 LYS 53 2HZ LYS 53 7.391 -5.498 -2.768 367 HZ3 LYS 53 3HZ LYS 53 8.009 -4.181 -3.631 368 H HIS 54 H HIS 54 4.279 1.387 -0.798 369 HA HIS 54 HA HIS 54 3.494 3.426 -2.706 370 HB2 HIS 54 1HB HIS 54 1.765 1.956 -1.844 371 HB3 HIS 54 2HB HIS 54 2.158 2.412 -0.189 372 HD1 HIS 54 1HD HIS 54 0.781 3.974 -3.359 373 HD2 HIS 54 2HD HIS 54 0.756 4.545 0.756 374 HE1 HIS 54 1HE HIS 54 -0.842 5.851 -2.951 375 H LEU 55 H LEU 55 4.734 3.201 0.566 376 HA LEU 55 HA LEU 55 4.296 5.914 1.278 377 HB2 LEU 55 1HB LEU 55 6.185 3.824 2.335 378 HB3 LEU 55 2HB LEU 55 6.031 5.433 3.037 379 HG LEU 55 HG LEU 55 3.689 3.561 2.801 380 HD11 LEU 55 1HD1 LEU 55 4.707 2.225 4.269 381 HD12 LEU 55 2HD1 LEU 55 4.447 3.517 5.439 382 HD13 LEU 55 3HD1 LEU 55 5.986 3.397 4.586 383 HD21 LEU 55 1HD2 LEU 55 2.893 4.955 4.713 384 HD22 LEU 55 2HD2 LEU 55 3.076 5.837 3.196 385 HD23 LEU 55 3HD2 LEU 55 4.292 6.001 4.464 386 H LYS 56 H LYS 56 7.141 4.166 0.063 387 HA LYS 56 HA LYS 56 8.741 6.547 -0.079 388 HB2 LYS 56 1HB LYS 56 9.356 3.978 -1.515 389 HB3 LYS 56 2HB LYS 56 10.476 5.167 -0.862 390 HG2 LYS 56 1HG LYS 56 10.387 4.310 1.227 391 HG3 LYS 56 2HG LYS 56 8.697 3.825 1.076 392 HD2 LYS 56 1HD LYS 56 9.654 1.761 1.031 393 HD3 LYS 56 2HD LYS 56 9.752 2.137 -0.691 394 HE2 LYS 56 1HE LYS 56 11.910 1.505 -0.340 395 HE3 LYS 56 2HE LYS 56 12.055 3.215 0.064 396 HZ1 LYS 56 1HZ LYS 56 12.305 2.772 2.258 397 HZ2 LYS 56 2HZ LYS 56 12.932 1.322 1.656 398 HZ3 LYS 56 3HZ LYS 56 11.340 1.383 2.222 399 H SER 57 H SER 57 6.294 5.281 -1.981 400 HA SER 57 HA SER 57 7.336 6.207 -4.523 401 HB2 SER 57 1HB SER 57 4.962 4.681 -3.611 402 HB3 SER 57 2HB SER 57 4.748 5.662 -5.061 403 HG SER 57 HG SER 57 6.557 4.581 -5.958 404 H MET 58 H MET 58 4.916 7.181 -2.145 405 HA MET 58 HA MET 58 4.702 9.767 -3.540 406 HB2 MET 58 1HB MET 58 2.394 9.939 -2.698 407 HB3 MET 58 2HB MET 58 2.607 8.547 -3.752 408 HG2 MET 58 1HG MET 58 2.287 7.049 -2.078 409 HG3 MET 58 2HG MET 58 2.946 8.120 -0.843 410 HE1 MET 58 1HE MET 58 -0.926 9.495 -2.731 411 HE2 MET 58 2HE MET 58 0.597 9.093 -3.525 412 HE3 MET 58 3HE MET 58 -0.566 7.820 -3.149 413 H HIS 59 H HIS 59 4.803 8.067 -0.465 414 HA HIS 59 HA HIS 59 4.971 10.591 0.996 415 HB2 HIS 59 1HB HIS 59 4.929 7.749 2.032 416 HB3 HIS 59 2HB HIS 59 4.841 9.207 3.016 417 HD1 HIS 59 1HD HIS 59 2.659 10.799 2.279 418 HD2 HIS 59 2HD HIS 59 2.493 6.722 1.497 419 HE1 HIS 59 1HE HIS 59 0.219 10.272 1.976 420 H ARG 60 H ARG 60 7.105 9.595 -0.818 421 HA ARG 60 HA ARG 60 9.290 8.527 0.496 422 HB2 ARG 60 1HB ARG 60 9.371 8.799 -1.873 423 HB3 ARG 60 2HB ARG 60 9.142 10.538 -1.747 424 HG2 ARG 60 1HG ARG 60 11.342 10.750 -0.699 425 HG3 ARG 60 2HG ARG 60 11.572 9.006 -0.844 426 HD2 ARG 60 1HD ARG 60 11.782 9.094 -3.146 427 HD3 ARG 60 2HD ARG 60 10.916 10.625 -3.268 428 HE ARG 60 HE ARG 60 13.203 11.201 -1.868 429 HH11 ARG 60 2HH1 ARG 60 12.455 9.832 -4.981 430 HH12 ARG 60 1HH1 ARG 60 13.900 10.422 -5.733 431 HH21 ARG 60 2HH2 ARG 60 15.109 11.983 -2.847 432 HH22 ARG 60 1HH2 ARG 60 15.410 11.644 -4.518 433 H GLU 61 H GLU 61 8.146 11.860 0.424 434 HA GLU 61 HA GLU 61 10.397 12.974 1.758 435 HB2 GLU 61 1HB GLU 61 7.569 14.023 1.545 436 HB3 GLU 61 2HB GLU 61 8.965 14.951 2.074 437 HG2 GLU 61 1HG GLU 61 8.893 15.610 -0.090 438 HG3 GLU 61 2HG GLU 61 9.912 14.184 -0.270 439 H GLU 62 H GLU 62 7.221 11.845 2.847 440 HA GLU 62 HA GLU 62 7.475 12.616 5.539 441 HB2 GLU 62 1HB GLU 62 5.312 12.040 4.717 442 HB3 GLU 62 2HB GLU 62 5.857 10.448 4.207 443 HG2 GLU 62 1HG GLU 62 4.789 9.869 6.116 444 HG3 GLU 62 2HG GLU 62 6.388 10.198 6.782 445 H LEU 63 H LEU 63 8.655 9.847 3.773 446 HA LEU 63 HA LEU 63 9.346 8.323 6.105 447 HB2 LEU 63 1HB LEU 63 10.217 8.036 3.233 448 HB3 LEU 63 2HB LEU 63 10.534 6.866 4.513 449 HG LEU 63 HG LEU 63 7.838 7.606 3.377 450 HD11 LEU 63 1HD1 LEU 63 9.599 6.029 2.189 451 HD12 LEU 63 2HD1 LEU 63 7.876 5.657 2.203 452 HD13 LEU 63 3HD1 LEU 63 8.959 4.858 3.343 453 HD21 LEU 63 1HD2 LEU 63 6.938 5.889 4.843 454 HD22 LEU 63 2HD2 LEU 63 7.716 7.161 5.785 455 HD23 LEU 63 3HD2 LEU 63 8.537 5.619 5.537 456 H GLU 64 H GLU 64 11.345 9.847 3.568 457 HA GLU 64 HA GLU 64 13.801 9.575 4.815 458 HB2 GLU 64 1HB GLU 64 12.793 11.725 2.951 459 HB3 GLU 64 2HB GLU 64 14.473 11.597 3.453 460 HG2 GLU 64 1HG GLU 64 14.483 9.277 2.519 461 HG3 GLU 64 2HG GLU 64 12.886 9.610 1.853 462 H LYS 65 H LYS 65 11.599 12.372 4.948 463 HA LYS 65 HA LYS 65 13.001 14.081 6.541 464 HB2 LYS 65 1HB LYS 65 10.954 15.092 7.144 465 HB3 LYS 65 2HB LYS 65 10.673 14.386 5.558 466 HG2 LYS 65 1HG LYS 65 9.369 12.655 6.430 467 HG3 LYS 65 2HG LYS 65 9.956 12.922 8.073 468 HD2 LYS 65 1HD LYS 65 8.865 15.272 7.785 469 HD3 LYS 65 2HD LYS 65 7.954 14.486 6.493 470 HE2 LYS 65 1HE LYS 65 6.599 14.253 8.385 471 HE3 LYS 65 2HE LYS 65 7.398 12.690 8.225 472 HZ1 LYS 65 1HZ LYS 65 8.045 12.948 10.316 473 HZ2 LYS 65 2HZ LYS 65 7.508 14.551 10.371 474 HZ3 LYS 65 3HZ LYS 65 9.063 14.199 9.805 475 H SER 66 H SER 66 11.424 11.112 7.493 476 HA SER 66 HA SER 66 11.871 11.624 10.321 477 HB2 SER 66 1HB SER 66 9.814 10.433 9.352 478 HB3 SER 66 2HB SER 66 10.874 9.042 9.125 479 HG SER 66 HG SER 66 11.362 9.626 11.523 480 H GLY 67 H GLY 67 12.835 9.144 7.942 481 HA2 GLY 67 1HA GLY 67 15.411 8.890 8.062 482 HA3 GLY 67 2HA GLY 67 15.062 8.406 9.715 483 H HIS 68 H HIS 68 13.013 7.623 6.979 484 HA HIS 68 HA HIS 68 13.778 4.795 7.309 485 HB2 HIS 68 1HB HIS 68 11.091 5.961 6.554 486 HB3 HIS 68 2HB HIS 68 11.467 4.241 6.586 487 HD1 HIS 68 1HD HIS 68 12.808 3.853 9.222 488 HD2 HIS 68 2HD HIS 68 9.570 6.411 8.737 489 HE1 HIS 68 1HE HIS 68 11.791 4.091 11.509 490 H GLY 69 H GLY 69 15.112 6.585 5.542 491 HA2 GLY 69 1HA GLY 69 14.102 6.323 2.885 492 HA3 GLY 69 2HA GLY 69 15.722 6.836 3.335 493 H GLN 70 H GLN 70 16.965 4.844 4.421 494 HA GLN 70 HA GLN 70 16.893 2.749 2.375 495 HB2 GLN 70 1HB GLN 70 19.164 2.165 3.447 496 HB3 GLN 70 2HB GLN 70 19.053 3.631 2.481 497 HG2 GLN 70 1HG GLN 70 18.669 3.728 5.444 498 HG3 GLN 70 2HG GLN 70 20.286 3.700 4.741 499 HE21 GLN 70 1HE2 GLN 70 20.682 5.357 3.034 500 HE22 GLN 70 2HE2 GLN 70 20.014 6.931 3.283 501 H SER 71 H SER 71 14.969 1.841 3.465 502 HA SER 71 HA SER 71 15.420 0.550 6.025 503 HB2 SER 71 1HB SER 71 13.217 1.619 5.328 504 HB3 SER 71 2HB SER 71 13.000 0.244 4.244 505 HG SER 71 HG SER 71 13.522 -0.948 6.384 506 H GLY 72 H GLY 72 14.691 -0.448 2.685 507 HA2 GLY 72 1HA GLY 72 16.242 -2.875 3.092 508 HA3 GLY 72 2HA GLY 72 14.529 -3.113 2.776 509 HA PRO 73 HA PRO 73 17.078 -2.661 -1.202 510 HB2 PRO 73 1HB PRO 73 16.932 -5.244 -2.025 511 HB3 PRO 73 2HB PRO 73 18.245 -4.631 -1.012 512 HG2 PRO 73 1HG PRO 73 15.794 -6.158 -0.219 513 HG3 PRO 73 2HG PRO 73 17.467 -6.361 0.334 514 HD2 PRO 73 1HD PRO 73 15.601 -5.043 1.789 515 HD3 PRO 73 2HD PRO 73 17.321 -4.605 1.820 516 H SER 74 H SER 74 16.124 -2.437 -3.195 517 HA SER 74 HA SER 74 13.265 -3.130 -3.335 518 HB2 SER 74 1HB SER 74 14.829 -0.870 -4.588 519 HB3 SER 74 2HB SER 74 13.187 -1.283 -5.081 520 HG SER 74 HG SER 74 13.944 -0.667 -2.417 521 H SER 75 H SER 75 12.859 -4.824 -4.578 522 HA SER 75 HA SER 75 14.686 -5.488 -6.764 523 HB2 SER 75 1HB SER 75 12.387 -7.106 -5.640 524 HB3 SER 75 2HB SER 75 13.611 -7.672 -6.777 525 HG SER 75 HG SER 75 14.626 -8.242 -5.025 526 H GLY 76 H GLY 76 14.079 -3.971 -8.317 527 HA2 GLY 76 1HA GLY 76 11.397 -4.427 -9.471 528 HA3 GLY 76 2HA GLY 76 12.102 -2.821 -9.366 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -2.868 -5.910 12.048 2 HA2 GLY 1 1HA GLY 1 -1.260 -7.557 11.937 3 HA3 GLY 1 2HA GLY 1 -0.182 -6.382 11.199 4 H SER 2 H SER 2 0.411 -8.401 13.217 5 HA SER 2 HA SER 2 1.318 -6.617 15.381 6 HB2 SER 2 1HB SER 2 0.088 -9.326 15.478 7 HB3 SER 2 2HB SER 2 1.374 -8.981 16.634 8 HG SER 2 HG SER 2 -1.159 -7.808 16.376 9 H SER 3 H SER 3 2.029 -9.724 13.785 10 HA SER 3 HA SER 3 4.763 -9.720 14.622 11 HB2 SER 3 1HB SER 3 4.994 -11.700 13.216 12 HB3 SER 3 2HB SER 3 3.504 -11.806 14.154 13 HG SER 3 HG SER 3 3.513 -10.737 11.544 14 H GLY 4 H GLY 4 6.614 -9.667 13.180 15 HA2 GLY 4 1HA GLY 4 6.228 -8.336 10.612 16 HA3 GLY 4 2HA GLY 4 7.118 -7.440 11.833 17 H SER 5 H SER 5 7.795 -8.767 9.153 18 HA SER 5 HA SER 5 9.916 -10.586 10.019 19 HB2 SER 5 1HB SER 5 8.985 -9.879 7.225 20 HB3 SER 5 2HB SER 5 10.165 -11.123 7.636 21 HG SER 5 HG SER 5 7.677 -11.250 8.884 22 H SER 6 H SER 6 11.079 -8.772 11.021 23 HA SER 6 HA SER 6 12.790 -7.274 11.073 24 HB2 SER 6 1HB SER 6 13.285 -8.303 8.269 25 HB3 SER 6 2HB SER 6 14.420 -7.341 9.215 26 HG SER 6 HG SER 6 13.856 -9.262 10.800 27 H GLY 7 H GLY 7 10.313 -6.200 10.516 28 HA2 GLY 7 1HA GLY 7 10.830 -3.638 9.713 29 HA3 GLY 7 2HA GLY 7 10.413 -4.474 8.224 30 H SER 8 H SER 8 8.320 -4.739 7.721 31 HA SER 8 HA SER 8 6.090 -4.180 7.795 32 HB2 SER 8 1HB SER 8 6.628 -6.046 10.073 33 HB3 SER 8 2HB SER 8 5.007 -5.380 9.880 34 HG SER 8 HG SER 8 6.400 -7.180 8.280 35 H GLU 9 H GLU 9 7.752 -2.136 8.916 36 HA GLU 9 HA GLU 9 6.308 -1.182 11.261 37 HB2 GLU 9 1HB GLU 9 8.898 -1.035 10.766 38 HB3 GLU 9 2HB GLU 9 8.429 0.420 9.898 39 HG2 GLU 9 1HG GLU 9 7.723 1.499 11.816 40 HG3 GLU 9 2HG GLU 9 7.520 -0.007 12.709 41 H ALA 10 H ALA 10 6.477 -0.670 7.846 42 HA ALA 10 HA ALA 10 5.478 1.926 7.628 43 HB1 ALA 10 1HB ALA 10 5.402 -0.471 5.846 44 HB2 ALA 10 2HB ALA 10 4.508 0.985 5.406 45 HB3 ALA 10 3HB ALA 10 6.255 1.058 5.635 46 H TRP 11 H TRP 11 3.932 -0.967 8.642 47 HA TRP 11 HA TRP 11 1.293 -0.599 7.940 48 HB2 TRP 11 1HB TRP 11 2.676 -1.905 10.226 49 HB3 TRP 11 2HB TRP 11 0.945 -1.622 10.390 50 HD1 TRP 11 HD TRP 11 3.323 -4.095 9.070 51 HE1 TRP 11 1HE TRP 11 2.121 -5.814 7.577 52 HE3 TRP 11 3HE TRP 11 -1.131 -1.662 8.454 53 HZ2 TRP 11 2HZ TRP 11 -0.383 -6.100 6.307 54 HZ3 TRP 11 3HZ TRP 11 -2.877 -2.726 7.084 55 HH2 TRP 11 HH TRP 11 -2.508 -4.899 6.034 56 H GLU 12 H GLU 12 3.195 1.148 10.267 57 HA GLU 12 HA GLU 12 1.229 2.264 11.875 58 HB2 GLU 12 1HB GLU 12 2.805 4.008 12.388 59 HB3 GLU 12 2HB GLU 12 3.685 2.496 12.218 60 HG2 GLU 12 1HG GLU 12 4.222 3.185 9.868 61 HG3 GLU 12 2HG GLU 12 3.539 4.764 10.253 62 H TYR 13 H TYR 13 2.057 2.945 8.577 63 HA TYR 13 HA TYR 13 0.356 5.332 8.561 64 HB2 TYR 13 1HB TYR 13 2.048 4.255 6.302 65 HB3 TYR 13 2HB TYR 13 1.320 5.852 6.423 66 HD1 TYR 13 2HD TYR 13 3.983 3.663 7.732 67 HD2 TYR 13 1HD TYR 13 2.380 7.603 7.655 68 HE1 TYR 13 2HE TYR 13 6.042 4.514 8.772 69 HE2 TYR 13 1HE TYR 13 4.436 8.466 8.694 70 HH TYR 13 HH TYR 13 6.588 6.679 10.271 71 H PHE 14 H PHE 14 -0.471 2.393 8.654 72 HA PHE 14 HA PHE 14 -2.576 2.651 6.663 73 HB2 PHE 14 1HB PHE 14 -0.739 0.251 6.787 74 HB3 PHE 14 2HB PHE 14 -2.234 0.321 5.860 75 HD1 PHE 14 1HD PHE 14 1.160 1.732 6.174 76 HD2 PHE 14 2HD PHE 14 -2.317 1.368 3.746 77 HE1 PHE 14 1HE PHE 14 2.392 2.688 4.271 78 HE2 PHE 14 2HE PHE 14 -1.090 2.323 1.839 79 HZ PHE 14 HZ PHE 14 1.268 2.983 2.100 80 H HIS 15 H HIS 15 -4.363 1.178 7.029 81 HA HIS 15 HA HIS 15 -4.386 -0.164 9.627 82 HB2 HIS 15 1HB HIS 15 -6.088 1.058 10.547 83 HB3 HIS 15 2HB HIS 15 -5.354 2.320 9.561 84 HD1 HIS 15 1HD HIS 15 -8.020 -0.347 8.982 85 HD2 HIS 15 2HD HIS 15 -7.244 3.656 8.187 86 HE1 HIS 15 1HE HIS 15 -10.038 0.495 7.738 87 H LEU 16 H LEU 16 -5.364 -2.084 9.534 88 HA LEU 16 HA LEU 16 -6.344 -3.119 7.100 89 HB2 LEU 16 1HB LEU 16 -6.371 -4.094 9.933 90 HB3 LEU 16 2HB LEU 16 -7.191 -4.992 8.658 91 HG LEU 16 HG LEU 16 -4.244 -4.346 8.713 92 HD11 LEU 16 1HD1 LEU 16 -3.838 -6.316 9.710 93 HD12 LEU 16 2HD1 LEU 16 -5.161 -7.131 8.876 94 HD13 LEU 16 3HD1 LEU 16 -5.491 -6.148 10.303 95 HD21 LEU 16 1HD2 LEU 16 -5.973 -5.908 6.809 96 HD22 LEU 16 2HD2 LEU 16 -4.220 -6.094 6.888 97 HD23 LEU 16 3HD2 LEU 16 -4.924 -4.534 6.456 98 H ALA 17 H ALA 17 -8.424 -3.660 6.443 99 HA ALA 17 HA ALA 17 -10.522 -1.997 7.597 100 HB1 ALA 17 1HB ALA 17 -11.798 -2.605 5.574 101 HB2 ALA 17 2HB ALA 17 -10.235 -1.877 5.202 102 HB3 ALA 17 3HB ALA 17 -10.452 -3.621 5.057 103 HA PRO 18 HA PRO 18 -12.365 -5.360 9.788 104 HB2 PRO 18 1HB PRO 18 -14.806 -4.244 10.199 105 HB3 PRO 18 2HB PRO 18 -13.362 -3.752 11.092 106 HG2 PRO 18 1HG PRO 18 -14.661 -2.453 8.728 107 HG3 PRO 18 2HG PRO 18 -14.000 -1.704 10.193 108 HD2 PRO 18 1HD PRO 18 -12.648 -1.760 7.848 109 HD3 PRO 18 2HD PRO 18 -11.830 -1.817 9.423 110 H ALA 19 H ALA 19 -13.941 -6.985 9.531 111 HA ALA 19 HA ALA 19 -14.879 -7.283 6.788 112 HB1 ALA 19 1HB ALA 19 -13.889 -9.056 8.742 113 HB2 ALA 19 2HB ALA 19 -15.564 -9.515 8.433 114 HB3 ALA 19 3HB ALA 19 -14.413 -9.429 7.100 115 H ARG 20 H ARG 20 -16.691 -6.028 6.582 116 HA ARG 20 HA ARG 20 -18.750 -5.887 8.533 117 HB2 ARG 20 1HB ARG 20 -18.851 -5.213 5.587 118 HB3 ARG 20 2HB ARG 20 -20.038 -4.730 6.792 119 HG2 ARG 20 1HG ARG 20 -18.569 -3.232 7.813 120 HG3 ARG 20 2HG ARG 20 -17.155 -3.961 7.051 121 HD2 ARG 20 1HD ARG 20 -17.453 -2.018 5.823 122 HD3 ARG 20 2HD ARG 20 -18.266 -3.231 4.835 123 HE ARG 20 HE ARG 20 -20.086 -2.011 6.634 124 HH11 ARG 20 2HH1 ARG 20 -18.342 -1.450 3.673 125 HH12 ARG 20 1HH1 ARG 20 -19.503 -0.325 3.050 126 HH21 ARG 20 2HH2 ARG 20 -21.621 -0.531 5.824 127 HH22 ARG 20 1HH2 ARG 20 -21.367 0.198 4.275 128 H ALA 21 H ALA 21 -18.830 -8.310 8.787 129 HA ALA 21 HA ALA 21 -19.716 -10.388 8.328 130 HB1 ALA 21 1HB ALA 21 -21.694 -9.965 9.259 131 HB2 ALA 21 2HB ALA 21 -21.781 -8.361 8.531 132 HB3 ALA 21 3HB ALA 21 -22.316 -9.773 7.620 133 H GLY 22 H GLY 22 -18.292 -9.559 6.105 134 HA2 GLY 22 1HA GLY 22 -19.575 -11.097 4.052 135 HA3 GLY 22 2HA GLY 22 -19.517 -9.385 3.663 136 H HIS 23 H HIS 23 -17.555 -8.415 3.173 137 HA HIS 23 HA HIS 23 -15.642 -9.999 1.894 138 HB2 HIS 23 1HB HIS 23 -15.477 -7.156 2.905 139 HB3 HIS 23 2HB HIS 23 -14.244 -7.906 1.896 140 HD1 HIS 23 1HD HIS 23 -14.581 -7.735 -0.562 141 HD2 HIS 23 2HD HIS 23 -18.083 -7.012 1.554 142 HE1 HIS 23 1HE HIS 23 -16.268 -7.007 -2.281 143 H HIS 24 H HIS 24 -14.322 -11.411 2.825 144 HA HIS 24 HA HIS 24 -13.702 -11.757 5.441 145 HB2 HIS 24 1HB HIS 24 -13.039 -13.324 3.665 146 HB3 HIS 24 2HB HIS 24 -11.803 -12.192 3.125 147 HD1 HIS 24 1HD HIS 24 -9.727 -11.876 4.704 148 HD2 HIS 24 2HD HIS 24 -12.346 -14.898 5.830 149 HE1 HIS 24 1HE HIS 24 -8.473 -13.259 6.389 150 HA PRO 25 HA PRO 25 -11.292 -8.304 6.736 151 HB2 PRO 25 1HB PRO 25 -10.130 -9.414 8.924 152 HB3 PRO 25 2HB PRO 25 -11.830 -8.931 8.880 153 HG2 PRO 25 1HG PRO 25 -10.624 -11.648 8.528 154 HG3 PRO 25 2HG PRO 25 -12.061 -11.173 9.452 155 HD2 PRO 25 1HD PRO 25 -12.215 -12.289 6.989 156 HD3 PRO 25 2HD PRO 25 -13.398 -11.102 7.575 157 H ASN 26 H ASN 26 -8.954 -7.905 7.561 158 HA ASN 26 HA ASN 26 -6.770 -7.756 6.918 159 HB2 ASN 26 1HB ASN 26 -7.251 -10.682 7.328 160 HB3 ASN 26 2HB ASN 26 -5.689 -10.148 6.713 161 HD21 ASN 26 1HD2 ASN 26 -4.217 -9.462 8.114 162 HD22 ASN 26 2HD2 ASN 26 -4.502 -9.143 9.788 163 H GLN 27 H GLN 27 -8.614 -7.555 4.779 164 HA GLN 27 HA GLN 27 -7.460 -9.077 2.581 165 HB2 GLN 27 1HB GLN 27 -9.955 -8.641 2.855 166 HB3 GLN 27 2HB GLN 27 -9.616 -6.978 2.395 167 HG2 GLN 27 1HG GLN 27 -10.220 -7.884 0.385 168 HG3 GLN 27 2HG GLN 27 -8.469 -8.078 0.332 169 HE21 GLN 27 1HE2 GLN 27 -11.281 -9.583 -0.300 170 HE22 GLN 27 2HE2 GLN 27 -10.788 -11.231 -0.145 171 H TYR 28 H TYR 28 -8.353 -5.640 2.863 172 HA TYR 28 HA TYR 28 -5.820 -4.978 1.510 173 HB2 TYR 28 1HB TYR 28 -8.591 -3.916 1.194 174 HB3 TYR 28 2HB TYR 28 -7.244 -2.809 0.954 175 HD1 TYR 28 2HD TYR 28 -7.365 -6.419 0.094 176 HD2 TYR 28 1HD TYR 28 -7.348 -2.421 -1.361 177 HE1 TYR 28 2HE TYR 28 -7.088 -7.262 -2.200 178 HE2 TYR 28 1HE TYR 28 -7.072 -3.253 -3.660 179 HH TYR 28 HH TYR 28 -6.053 -6.201 -4.438 180 H ALA 29 H ALA 29 -4.961 -2.803 2.009 181 HA ALA 29 HA ALA 29 -5.436 -2.124 4.837 182 HB1 ALA 29 1HB ALA 29 -3.072 -2.892 3.603 183 HB2 ALA 29 2HB ALA 29 -2.927 -1.144 3.784 184 HB3 ALA 29 3HB ALA 29 -3.241 -2.153 5.196 185 H THR 30 H THR 30 -5.763 -0.022 5.417 186 HA THR 30 HA THR 30 -6.182 1.869 3.209 187 HB THR 30 HB THR 30 -7.207 2.107 6.042 188 HG1 THR 30 1HG THR 30 -7.984 0.257 4.640 189 HG21 THR 30 1HG2 THR 30 -8.238 4.010 5.407 190 HG22 THR 30 2HG2 THR 30 -8.617 3.387 3.801 191 HG23 THR 30 3HG2 THR 30 -7.014 4.038 4.139 192 H CYS 31 H CYS 31 -4.653 3.336 2.894 193 HA CYS 31 HA CYS 31 -2.526 3.816 4.675 194 HB2 CYS 31 1HB CYS 31 -2.659 4.211 2.123 195 HB3 CYS 31 2HB CYS 31 -3.369 5.765 2.545 196 H ARG 32 H ARG 32 -2.464 4.986 6.467 197 HA ARG 32 HA ARG 32 -4.677 6.694 7.181 198 HB2 ARG 32 1HB ARG 32 -2.114 6.029 8.640 199 HB3 ARG 32 2HB ARG 32 -3.428 6.984 9.313 200 HG2 ARG 32 1HG ARG 32 -4.922 5.088 9.178 201 HG3 ARG 32 2HG ARG 32 -3.663 4.124 8.404 202 HD2 ARG 32 1HD ARG 32 -2.352 4.082 10.364 203 HD3 ARG 32 2HD ARG 32 -3.294 5.369 11.114 204 HE ARG 32 HE ARG 32 -3.932 2.560 11.043 205 HH11 ARG 32 2HH1 ARG 32 -5.168 5.789 11.447 206 HH12 ARG 32 1HH1 ARG 32 -6.561 5.284 12.345 207 HH21 ARG 32 2HH2 ARG 32 -5.762 1.882 12.224 208 HH22 ARG 32 1HH2 ARG 32 -6.898 3.061 12.787 209 H LEU 33 H LEU 33 -1.973 7.143 5.352 210 HA LEU 33 HA LEU 33 -1.375 9.838 6.268 211 HB2 LEU 33 1HB LEU 33 -0.225 8.047 4.153 212 HB3 LEU 33 2HB LEU 33 0.204 9.754 4.252 213 HG LEU 33 HG LEU 33 0.648 7.736 6.450 214 HD11 LEU 33 1HD1 LEU 33 2.203 8.425 4.078 215 HD12 LEU 33 2HD1 LEU 33 2.337 7.042 5.164 216 HD13 LEU 33 3HD1 LEU 33 3.105 8.572 5.587 217 HD21 LEU 33 1HD2 LEU 33 2.269 10.096 6.564 218 HD22 LEU 33 2HD2 LEU 33 1.143 9.456 7.762 219 HD23 LEU 33 3HD2 LEU 33 0.564 10.543 6.499 220 H CYS 34 H CYS 34 -2.441 8.295 3.235 221 HA CYS 34 HA CYS 34 -3.545 10.886 2.391 222 HB2 CYS 34 1HB CYS 34 -3.534 9.963 0.113 223 HB3 CYS 34 2HB CYS 34 -1.929 9.909 0.835 224 H GLY 35 H GLY 35 -4.310 7.438 2.670 225 HA2 GLY 35 1HA GLY 35 -6.492 6.821 3.548 226 HA3 GLY 35 2HA GLY 35 -7.166 8.182 2.663 227 H ARG 36 H ARG 36 -4.775 6.141 1.185 228 HA ARG 36 HA ARG 36 -6.772 5.282 -0.765 229 HB2 ARG 36 1HB ARG 36 -3.783 5.456 -0.749 230 HB3 ARG 36 2HB ARG 36 -4.579 4.377 -1.886 231 HG2 ARG 36 1HG ARG 36 -5.992 6.497 -2.460 232 HG3 ARG 36 2HG ARG 36 -4.621 7.351 -1.749 233 HD2 ARG 36 1HD ARG 36 -4.273 7.177 -4.117 234 HD3 ARG 36 2HD ARG 36 -3.122 6.121 -3.299 235 HE ARG 36 HE ARG 36 -5.103 4.419 -3.838 236 HH11 ARG 36 2HH1 ARG 36 -3.536 6.808 -5.828 237 HH12 ARG 36 1HH1 ARG 36 -3.780 5.930 -7.302 238 HH21 ARG 36 2HH2 ARG 36 -5.430 3.254 -5.772 239 HH22 ARG 36 1HH2 ARG 36 -4.858 3.909 -7.269 240 H GLN 37 H GLN 37 -6.285 2.997 -1.703 241 HA GLN 37 HA GLN 37 -6.142 1.149 0.583 242 HB2 GLN 37 1HB GLN 37 -7.431 0.645 -2.101 243 HB3 GLN 37 2HB GLN 37 -7.555 -0.354 -0.659 244 HG2 GLN 37 1HG GLN 37 -8.461 2.466 -0.486 245 HG3 GLN 37 2HG GLN 37 -9.464 1.317 -1.370 246 HE21 GLN 37 1HE2 GLN 37 -9.928 2.748 1.159 247 HE22 GLN 37 2HE2 GLN 37 -10.273 1.524 2.328 248 H VAL 38 H VAL 38 -4.518 -0.254 0.684 249 HA VAL 38 HA VAL 38 -3.118 -1.000 -1.789 250 HB VAL 38 HB VAL 38 -1.713 -0.249 0.778 251 HG11 VAL 38 1HG1 VAL 38 -0.180 -0.453 -1.705 252 HG12 VAL 38 2HG1 VAL 38 0.188 -1.061 -0.090 253 HG13 VAL 38 3HG1 VAL 38 -0.872 -1.980 -1.159 254 HG21 VAL 38 1HG2 VAL 38 -2.385 1.797 -0.097 255 HG22 VAL 38 2HG2 VAL 38 -0.772 1.583 -0.778 256 HG23 VAL 38 3HG2 VAL 38 -2.196 1.257 -1.766 257 H SER 39 H SER 39 -3.395 -3.121 -1.971 258 HA SER 39 HA SER 39 -3.661 -4.786 0.399 259 HB2 SER 39 1HB SER 39 -4.431 -6.506 -1.066 260 HB3 SER 39 2HB SER 39 -5.159 -5.006 -1.641 261 HG SER 39 HG SER 39 -3.366 -6.669 -2.872 262 H ARG 40 H ARG 40 -2.393 -6.678 0.749 263 HA ARG 40 HA ARG 40 0.323 -6.455 -0.367 264 HB2 ARG 40 1HB ARG 40 1.051 -7.648 1.699 265 HB3 ARG 40 2HB ARG 40 0.330 -6.074 2.006 266 HG2 ARG 40 1HG ARG 40 -1.757 -7.133 2.656 267 HG3 ARG 40 2HG ARG 40 -1.075 -8.721 2.297 268 HD2 ARG 40 1HD ARG 40 0.386 -6.956 4.192 269 HD3 ARG 40 2HD ARG 40 -1.096 -7.730 4.751 270 HE ARG 40 HE ARG 40 0.766 -9.528 3.491 271 HH11 ARG 40 2HH1 ARG 40 -0.205 -8.014 6.472 272 HH12 ARG 40 1HH1 ARG 40 0.502 -9.237 7.475 273 HH21 ARG 40 2HH2 ARG 40 1.701 -11.144 4.801 274 HH22 ARG 40 1HH2 ARG 40 1.587 -11.016 6.524 275 H GLY 41 H GLY 41 -2.121 -8.803 0.710 276 HA2 GLY 41 1HA GLY 41 -2.636 -10.629 -0.853 277 HA3 GLY 41 2HA GLY 41 -0.909 -10.743 -1.161 278 HA PRO 42 HA PRO 42 -2.354 -13.670 2.286 279 HB2 PRO 42 1HB PRO 42 -2.122 -16.000 0.912 280 HB3 PRO 42 2HB PRO 42 -3.619 -15.061 0.965 281 HG2 PRO 42 1HG PRO 42 -1.520 -15.161 -1.167 282 HG3 PRO 42 2HG PRO 42 -3.285 -15.163 -1.334 283 HD2 PRO 42 1HD PRO 42 -1.789 -12.937 -1.706 284 HD3 PRO 42 2HD PRO 42 -3.440 -12.880 -1.056 285 H GLY 43 H GLY 43 0.299 -12.944 0.420 286 HA2 GLY 43 1HA GLY 43 2.043 -14.479 2.216 287 HA3 GLY 43 2HA GLY 43 2.290 -14.619 0.482 288 H VAL 44 H VAL 44 2.553 -12.459 -0.670 289 HA VAL 44 HA VAL 44 4.027 -10.741 -1.023 290 HB VAL 44 HB VAL 44 2.072 -9.644 0.104 291 HG11 VAL 44 1HG1 VAL 44 3.781 -10.168 2.498 292 HG12 VAL 44 2HG1 VAL 44 2.731 -8.751 2.459 293 HG13 VAL 44 3HG1 VAL 44 2.041 -10.366 2.297 294 HG21 VAL 44 1HG2 VAL 44 3.296 -7.948 -0.705 295 HG22 VAL 44 2HG2 VAL 44 3.764 -7.689 0.976 296 HG23 VAL 44 3HG2 VAL 44 4.808 -8.621 -0.097 297 H ASN 45 H ASN 45 5.137 -13.017 0.417 298 HA ASN 45 HA ASN 45 6.901 -11.928 2.427 299 HB2 ASN 45 1HB ASN 45 5.897 -14.356 2.222 300 HB3 ASN 45 2HB ASN 45 7.308 -14.629 1.204 301 HD21 ASN 45 1HD2 ASN 45 6.592 -12.988 4.273 302 HD22 ASN 45 2HD2 ASN 45 7.916 -13.677 5.143 303 H VAL 46 H VAL 46 7.899 -10.304 1.064 304 HA VAL 46 HA VAL 46 10.072 -11.438 -0.571 305 HB VAL 46 HB VAL 46 9.962 -9.469 -2.038 306 HG11 VAL 46 1HG1 VAL 46 8.043 -11.590 -1.886 307 HG12 VAL 46 2HG1 VAL 46 7.287 -10.150 -2.570 308 HG13 VAL 46 3HG1 VAL 46 8.742 -10.819 -3.310 309 HG21 VAL 46 1HG2 VAL 46 7.566 -8.774 -0.351 310 HG22 VAL 46 2HG2 VAL 46 9.020 -7.811 -0.616 311 HG23 VAL 46 3HG2 VAL 46 7.878 -8.063 -1.935 312 H GLY 47 H GLY 47 8.980 -8.644 1.331 313 HA2 GLY 47 1HA GLY 47 10.920 -8.312 3.104 314 HA3 GLY 47 2HA GLY 47 11.738 -7.746 1.655 315 H THR 48 H THR 48 10.393 -6.086 0.372 316 HA THR 48 HA THR 48 9.778 -3.939 2.202 317 HB THR 48 HB THR 48 9.667 -3.944 -0.820 318 HG1 THR 48 1HG THR 48 11.767 -4.299 0.548 319 HG21 THR 48 1HG2 THR 48 9.598 -1.752 1.243 320 HG22 THR 48 2HG2 THR 48 8.427 -2.088 -0.032 321 HG23 THR 48 3HG2 THR 48 10.022 -1.457 -0.442 322 H THR 49 H THR 49 7.853 -4.676 3.185 323 HA THR 49 HA THR 49 5.577 -5.690 2.210 324 HB THR 49 HB THR 49 5.373 -3.243 3.948 325 HG1 THR 49 1HG THR 49 6.358 -5.824 4.637 326 HG21 THR 49 1HG2 THR 49 3.276 -3.971 4.146 327 HG22 THR 49 2HG2 THR 49 3.895 -5.422 4.935 328 HG23 THR 49 3HG2 THR 49 3.642 -5.406 3.190 329 H ALA 50 H ALA 50 4.064 -5.218 0.745 330 HA ALA 50 HA ALA 50 4.211 -3.461 -1.260 331 HB1 ALA 50 1HB ALA 50 2.194 -5.089 -0.232 332 HB2 ALA 50 2HB ALA 50 1.459 -3.495 -0.406 333 HB3 ALA 50 3HB ALA 50 2.215 -4.274 -1.796 334 H LEU 51 H LEU 51 3.062 -2.692 1.976 335 HA LEU 51 HA LEU 51 2.000 -0.161 1.512 336 HB2 LEU 51 1HB LEU 51 3.552 -0.939 3.968 337 HB3 LEU 51 2HB LEU 51 2.253 0.245 3.842 338 HG LEU 51 HG LEU 51 1.873 -2.721 3.451 339 HD11 LEU 51 1HD1 LEU 51 1.933 -1.048 5.889 340 HD12 LEU 51 2HD1 LEU 51 2.302 -2.759 5.673 341 HD13 LEU 51 3HD1 LEU 51 0.624 -2.223 5.756 342 HD21 LEU 51 1HD2 LEU 51 -0.524 -1.745 4.148 343 HD22 LEU 51 2HD2 LEU 51 0.015 -1.880 2.474 344 HD23 LEU 51 3HD2 LEU 51 0.135 -0.335 3.319 345 H TRP 52 H TRP 52 5.305 -0.994 2.562 346 HA TRP 52 HA TRP 52 6.434 1.493 2.662 347 HB2 TRP 52 1HB TRP 52 7.575 -1.147 1.771 348 HB3 TRP 52 2HB TRP 52 8.569 0.306 1.840 349 HD1 TRP 52 HD TRP 52 7.349 -2.488 3.956 350 HE1 TRP 52 1HE TRP 52 7.985 -2.089 6.417 351 HE3 TRP 52 3HE TRP 52 8.780 2.410 3.640 352 HZ2 TRP 52 2HZ TRP 52 8.964 0.024 8.014 353 HZ3 TRP 52 3HZ TRP 52 9.553 3.547 5.680 354 HH2 TRP 52 HH TRP 52 9.642 2.377 7.821 355 H LYS 53 H LYS 53 6.301 -0.585 -0.234 356 HA LYS 53 HA LYS 53 7.508 1.025 -2.076 357 HB2 LYS 53 1HB LYS 53 5.162 -0.837 -2.314 358 HB3 LYS 53 2HB LYS 53 5.754 0.044 -3.716 359 HG2 LYS 53 1HG LYS 53 7.770 -1.092 -3.743 360 HG3 LYS 53 2HG LYS 53 7.633 -1.577 -2.051 361 HD2 LYS 53 1HD LYS 53 5.818 -3.102 -2.624 362 HD3 LYS 53 2HD LYS 53 5.911 -2.595 -4.312 363 HE2 LYS 53 1HE LYS 53 7.974 -3.632 -4.632 364 HE3 LYS 53 2HE LYS 53 8.310 -3.709 -2.904 365 HZ1 LYS 53 1HZ LYS 53 7.303 -5.726 -4.438 366 HZ2 LYS 53 2HZ LYS 53 5.944 -5.146 -3.615 367 HZ3 LYS 53 3HZ LYS 53 7.299 -5.668 -2.747 368 H HIS 54 H HIS 54 4.141 1.219 -0.986 369 HA HIS 54 HA HIS 54 3.406 3.340 -2.719 370 HB2 HIS 54 1HB HIS 54 1.713 1.914 -1.718 371 HB3 HIS 54 2HB HIS 54 2.196 2.423 -0.103 372 HD1 HIS 54 1HD HIS 54 0.858 4.057 -3.272 373 HD2 HIS 54 2HD HIS 54 0.669 4.432 0.861 374 HE1 HIS 54 1HE HIS 54 -0.776 5.919 -2.840 375 H LEU 55 H LEU 55 4.515 3.241 0.645 376 HA LEU 55 HA LEU 55 4.235 5.970 1.214 377 HB2 LEU 55 1HB LEU 55 6.176 3.935 2.295 378 HB3 LEU 55 2HB LEU 55 5.960 5.550 2.967 379 HG LEU 55 HG LEU 55 3.702 3.572 2.785 380 HD11 LEU 55 1HD1 LEU 55 5.657 3.965 5.045 381 HD12 LEU 55 2HD1 LEU 55 5.442 2.507 4.077 382 HD13 LEU 55 3HD1 LEU 55 4.153 3.051 5.150 383 HD21 LEU 55 1HD2 LEU 55 3.208 5.113 4.921 384 HD22 LEU 55 2HD2 LEU 55 2.673 5.522 3.291 385 HD23 LEU 55 3HD2 LEU 55 4.138 6.253 3.948 386 H LYS 56 H LYS 56 7.030 4.149 -0.010 387 HA LYS 56 HA LYS 56 8.668 6.487 -0.262 388 HB2 LYS 56 1HB LYS 56 9.099 3.811 -1.590 389 HB3 LYS 56 2HB LYS 56 10.310 5.034 -1.228 390 HG2 LYS 56 1HG LYS 56 10.452 4.447 0.963 391 HG3 LYS 56 2HG LYS 56 8.771 3.916 1.045 392 HD2 LYS 56 1HD LYS 56 9.786 1.879 1.114 393 HD3 LYS 56 2HD LYS 56 9.683 2.069 -0.638 394 HE2 LYS 56 1HE LYS 56 11.995 3.133 -0.488 395 HE3 LYS 56 2HE LYS 56 12.058 2.495 1.155 396 HZ1 LYS 56 1HZ LYS 56 12.382 0.422 0.419 397 HZ2 LYS 56 2HZ LYS 56 12.854 1.156 -1.029 398 HZ3 LYS 56 3HZ LYS 56 11.277 0.571 -0.853 399 H SER 57 H SER 57 6.120 5.265 -2.054 400 HA SER 57 HA SER 57 7.084 6.101 -4.653 401 HB2 SER 57 1HB SER 57 5.598 4.174 -4.531 402 HB3 SER 57 2HB SER 57 4.356 5.148 -3.745 403 HG SER 57 HG SER 57 4.077 6.293 -5.623 404 H MET 58 H MET 58 4.835 7.258 -2.190 405 HA MET 58 HA MET 58 4.755 9.844 -3.596 406 HB2 MET 58 1HB MET 58 2.454 10.157 -2.906 407 HB3 MET 58 2HB MET 58 2.596 8.654 -3.807 408 HG2 MET 58 1HG MET 58 2.288 7.344 -1.925 409 HG3 MET 58 2HG MET 58 2.738 8.644 -0.825 410 HE1 MET 58 1HE MET 58 -1.046 9.300 -3.295 411 HE2 MET 58 2HE MET 58 0.627 9.282 -3.852 412 HE3 MET 58 3HE MET 58 -0.216 7.764 -3.541 413 H HIS 59 H HIS 59 4.742 8.110 -0.545 414 HA HIS 59 HA HIS 59 4.973 10.595 0.966 415 HB2 HIS 59 1HB HIS 59 4.884 7.727 1.927 416 HB3 HIS 59 2HB HIS 59 4.845 9.157 2.955 417 HD1 HIS 59 1HD HIS 59 2.692 10.817 2.324 418 HD2 HIS 59 2HD HIS 59 2.420 6.785 1.359 419 HE1 HIS 59 1HE HIS 59 0.237 10.360 2.028 420 H ARG 60 H ARG 60 7.078 9.406 -0.881 421 HA ARG 60 HA ARG 60 9.246 8.354 0.418 422 HB2 ARG 60 1HB ARG 60 9.290 8.658 -1.963 423 HB3 ARG 60 2HB ARG 60 9.168 10.404 -1.795 424 HG2 ARG 60 1HG ARG 60 11.402 10.248 -0.551 425 HG3 ARG 60 2HG ARG 60 11.511 8.626 -1.238 426 HD2 ARG 60 1HD ARG 60 12.675 10.133 -2.688 427 HD3 ARG 60 2HD ARG 60 11.189 9.629 -3.492 428 HE ARG 60 HE ARG 60 10.432 11.915 -2.323 429 HH11 ARG 60 2HH1 ARG 60 13.221 11.113 -4.247 430 HH12 ARG 60 1HH1 ARG 60 13.388 12.707 -4.904 431 HH21 ARG 60 2HH2 ARG 60 10.642 14.018 -3.182 432 HH22 ARG 60 1HH2 ARG 60 11.922 14.359 -4.297 433 H GLU 61 H GLU 61 8.155 11.700 0.401 434 HA GLU 61 HA GLU 61 10.445 12.752 1.730 435 HB2 GLU 61 1HB GLU 61 7.653 13.819 1.324 436 HB3 GLU 61 2HB GLU 61 8.907 14.723 2.161 437 HG2 GLU 61 1HG GLU 61 9.400 13.664 -0.586 438 HG3 GLU 61 2HG GLU 61 8.479 15.149 -0.353 439 H GLU 62 H GLU 62 7.190 11.833 2.818 440 HA GLU 62 HA GLU 62 7.428 12.554 5.492 441 HB2 GLU 62 1HB GLU 62 5.768 10.603 3.981 442 HB3 GLU 62 2HB GLU 62 5.822 10.430 5.730 443 HG2 GLU 62 1HG GLU 62 3.929 11.799 4.861 444 HG3 GLU 62 2HG GLU 62 4.938 12.603 6.062 445 H LEU 63 H LEU 63 8.635 9.748 3.791 446 HA LEU 63 HA LEU 63 9.327 8.282 6.156 447 HB2 LEU 63 1HB LEU 63 10.311 7.933 3.329 448 HB3 LEU 63 2HB LEU 63 10.478 6.769 4.641 449 HG LEU 63 HG LEU 63 7.860 7.643 3.420 450 HD11 LEU 63 1HD1 LEU 63 9.819 5.767 2.517 451 HD12 LEU 63 2HD1 LEU 63 8.267 6.192 1.796 452 HD13 LEU 63 3HD1 LEU 63 8.357 4.908 3.001 453 HD21 LEU 63 1HD2 LEU 63 8.527 5.503 5.439 454 HD22 LEU 63 2HD2 LEU 63 6.950 5.735 4.684 455 HD23 LEU 63 3HD2 LEU 63 7.616 6.984 5.737 456 H GLU 64 H GLU 64 11.258 9.951 3.663 457 HA GLU 64 HA GLU 64 13.746 9.666 4.867 458 HB2 GLU 64 1HB GLU 64 12.733 11.949 3.163 459 HB3 GLU 64 2HB GLU 64 14.424 11.641 3.533 460 HG2 GLU 64 1HG GLU 64 12.719 9.574 2.197 461 HG3 GLU 64 2HG GLU 64 13.512 10.853 1.279 462 H LYS 65 H LYS 65 11.478 12.401 5.120 463 HA LYS 65 HA LYS 65 12.880 14.063 6.784 464 HB2 LYS 65 1HB LYS 65 10.806 15.035 7.429 465 HB3 LYS 65 2HB LYS 65 10.603 14.469 5.776 466 HG2 LYS 65 1HG LYS 65 9.254 12.679 6.429 467 HG3 LYS 65 2HG LYS 65 9.766 12.792 8.114 468 HD2 LYS 65 1HD LYS 65 8.678 15.110 8.095 469 HD3 LYS 65 2HD LYS 65 7.912 14.600 6.589 470 HE2 LYS 65 1HE LYS 65 6.877 12.723 7.716 471 HE3 LYS 65 2HE LYS 65 7.713 13.127 9.214 472 HZ1 LYS 65 1HZ LYS 65 5.399 14.401 7.975 473 HZ2 LYS 65 2HZ LYS 65 6.488 15.412 8.783 474 HZ3 LYS 65 3HZ LYS 65 5.743 14.138 9.611 475 H SER 66 H SER 66 11.249 11.078 7.598 476 HA SER 66 HA SER 66 11.672 11.481 10.449 477 HB2 SER 66 1HB SER 66 9.643 10.289 9.226 478 HB3 SER 66 2HB SER 66 10.703 8.884 9.333 479 HG SER 66 HG SER 66 9.161 9.452 11.163 480 H GLY 67 H GLY 67 12.341 8.709 8.303 481 HA2 GLY 67 1HA GLY 67 14.971 8.434 8.255 482 HA3 GLY 67 2HA GLY 67 14.667 8.058 9.944 483 H HIS 68 H HIS 68 12.559 7.223 7.250 484 HA HIS 68 HA HIS 68 13.206 4.386 7.719 485 HB2 HIS 68 1HB HIS 68 10.515 5.598 7.057 486 HB3 HIS 68 2HB HIS 68 10.844 3.872 7.172 487 HD1 HIS 68 1HD HIS 68 12.212 3.474 9.730 488 HD2 HIS 68 2HD HIS 68 9.245 6.351 9.307 489 HE1 HIS 68 1HE HIS 68 11.363 3.910 12.057 490 H GLY 69 H GLY 69 14.540 5.960 5.813 491 HA2 GLY 69 1HA GLY 69 13.322 5.506 3.229 492 HA3 GLY 69 2HA GLY 69 14.904 6.208 3.530 493 H GLN 70 H GLN 70 16.364 4.411 4.740 494 HA GLN 70 HA GLN 70 16.580 2.286 2.772 495 HB2 GLN 70 1HB GLN 70 18.401 2.985 5.082 496 HB3 GLN 70 2HB GLN 70 18.757 1.836 3.799 497 HG2 GLN 70 1HG GLN 70 18.086 4.628 3.044 498 HG3 GLN 70 2HG GLN 70 19.671 4.300 3.743 499 HE21 GLN 70 1HE2 GLN 70 19.392 5.259 1.180 500 HE22 GLN 70 2HE2 GLN 70 19.877 4.041 0.055 501 H SER 71 H SER 71 14.698 1.099 3.437 502 HA SER 71 HA SER 71 14.961 -0.291 6.012 503 HB2 SER 71 1HB SER 71 12.609 -0.827 5.824 504 HB3 SER 71 2HB SER 71 12.814 0.899 5.526 505 HG SER 71 HG SER 71 11.997 0.606 3.623 506 H GLY 72 H GLY 72 14.380 -0.873 2.560 507 HA2 GLY 72 1HA GLY 72 14.371 -3.709 2.767 508 HA3 GLY 72 2HA GLY 72 14.573 -2.780 1.289 509 HA PRO 73 HA PRO 73 18.737 -4.334 3.270 510 HB2 PRO 73 1HB PRO 73 18.676 -7.040 3.055 511 HB3 PRO 73 2HB PRO 73 18.170 -6.180 4.515 512 HG2 PRO 73 1HG PRO 73 16.496 -7.316 2.308 513 HG3 PRO 73 2HG PRO 73 16.233 -7.384 4.060 514 HD2 PRO 73 1HD PRO 73 14.934 -5.628 2.459 515 HD3 PRO 73 2HD PRO 73 15.365 -5.251 4.140 516 H SER 74 H SER 74 17.001 -6.197 0.771 517 HA SER 74 HA SER 74 19.353 -6.432 -0.866 518 HB2 SER 74 1HB SER 74 17.752 -8.234 -0.933 519 HB3 SER 74 2HB SER 74 16.452 -7.126 -1.373 520 HG SER 74 HG SER 74 17.817 -8.465 -3.041 521 H SER 75 H SER 75 19.658 -5.523 -2.939 522 HA SER 75 HA SER 75 18.087 -3.081 -3.444 523 HB2 SER 75 1HB SER 75 21.062 -3.516 -3.529 524 HB3 SER 75 2HB SER 75 20.311 -2.237 -4.483 525 HG SER 75 HG SER 75 19.368 -1.502 -2.467 526 H GLY 76 H GLY 76 16.761 -4.188 -4.931 527 HA2 GLY 76 1HA GLY 76 17.136 -3.948 -7.554 528 HA3 GLY 76 2HA GLY 76 18.019 -5.435 -7.244 Start of MODEL 12 1 H1 GLY 1 H GLY 1 20.203 -11.874 7.624 2 HA2 GLY 1 1HA GLY 1 18.305 -12.911 8.498 3 HA3 GLY 1 2HA GLY 1 19.562 -13.867 9.267 4 H SER 2 H SER 2 18.104 -14.250 11.013 5 HA SER 2 HA SER 2 17.014 -13.790 12.979 6 HB2 SER 2 1HB SER 2 18.445 -12.756 14.644 7 HB3 SER 2 2HB SER 2 19.432 -13.774 13.594 8 HG SER 2 HG SER 2 19.291 -10.974 13.746 9 H SER 3 H SER 3 15.979 -12.230 10.933 10 HA SER 3 HA SER 3 15.861 -9.471 11.684 11 HB2 SER 3 1HB SER 3 14.106 -9.311 9.950 12 HB3 SER 3 2HB SER 3 15.542 -10.143 9.353 13 HG SER 3 HG SER 3 14.467 -11.998 9.290 14 H GLY 4 H GLY 4 14.884 -8.832 13.490 15 HA2 GLY 4 1HA GLY 4 12.757 -10.371 14.689 16 HA3 GLY 4 2HA GLY 4 13.447 -8.879 15.310 17 H SER 5 H SER 5 12.034 -7.281 15.421 18 HA SER 5 HA SER 5 9.778 -7.261 13.537 19 HB2 SER 5 1HB SER 5 10.111 -6.035 16.279 20 HB3 SER 5 2HB SER 5 8.741 -5.687 15.226 21 HG SER 5 HG SER 5 7.894 -7.457 15.945 22 H SER 6 H SER 6 12.212 -6.359 12.568 23 HA SER 6 HA SER 6 11.913 -3.430 12.549 24 HB2 SER 6 1HB SER 6 14.248 -3.388 11.695 25 HB3 SER 6 2HB SER 6 14.120 -4.150 13.280 26 HG SER 6 HG SER 6 15.010 -5.189 10.953 27 H GLY 7 H GLY 7 10.302 -3.273 10.992 28 HA2 GLY 7 1HA GLY 7 10.895 -2.830 8.404 29 HA3 GLY 7 2HA GLY 7 10.635 -4.568 8.421 30 H SER 8 H SER 8 8.591 -4.299 10.566 31 HA SER 8 HA SER 8 6.348 -3.821 8.804 32 HB2 SER 8 1HB SER 8 4.993 -4.801 10.527 33 HB3 SER 8 2HB SER 8 6.470 -5.758 10.416 34 HG SER 8 HG SER 8 6.588 -5.383 12.481 35 H GLU 9 H GLU 9 7.894 -1.508 9.453 36 HA GLU 9 HA GLU 9 6.415 0.002 11.421 37 HB2 GLU 9 1HB GLU 9 8.799 0.469 9.708 38 HB3 GLU 9 2HB GLU 9 7.895 1.885 10.228 39 HG2 GLU 9 1HG GLU 9 8.227 1.333 12.531 40 HG3 GLU 9 2HG GLU 9 8.953 -0.215 12.102 41 H ALA 10 H ALA 10 6.651 -0.172 7.908 42 HA ALA 10 HA ALA 10 5.267 2.060 7.121 43 HB1 ALA 10 1HB ALA 10 5.049 -0.701 5.927 44 HB2 ALA 10 2HB ALA 10 4.603 0.807 5.128 45 HB3 ALA 10 3HB ALA 10 6.287 0.499 5.553 46 H TRP 11 H TRP 11 3.995 -0.885 8.534 47 HA TRP 11 HA TRP 11 1.306 -0.663 7.935 48 HB2 TRP 11 1HB TRP 11 2.830 -1.828 10.224 49 HB3 TRP 11 2HB TRP 11 1.079 -1.694 10.365 50 HD1 TRP 11 HD TRP 11 3.593 -4.076 9.297 51 HE1 TRP 11 1HE TRP 11 2.596 -5.879 7.755 52 HE3 TRP 11 3HE TRP 11 -0.844 -1.808 8.158 53 HZ2 TRP 11 2HZ TRP 11 0.241 -6.286 6.253 54 HZ3 TRP 11 3HZ TRP 11 -2.413 -2.971 6.661 55 HH2 TRP 11 HH TRP 11 -1.880 -5.163 5.729 56 H GLU 12 H GLU 12 3.217 1.119 10.263 57 HA GLU 12 HA GLU 12 1.195 2.206 11.840 58 HB2 GLU 12 1HB GLU 12 3.797 3.487 10.986 59 HB3 GLU 12 2HB GLU 12 2.785 4.034 12.316 60 HG2 GLU 12 1HG GLU 12 3.103 1.749 13.336 61 HG3 GLU 12 2HG GLU 12 4.337 1.472 12.107 62 H TYR 13 H TYR 13 1.823 2.679 8.550 63 HA TYR 13 HA TYR 13 0.290 5.193 8.523 64 HB2 TYR 13 1HB TYR 13 1.994 4.073 6.293 65 HB3 TYR 13 2HB TYR 13 1.278 5.679 6.382 66 HD1 TYR 13 2HD TYR 13 3.980 3.518 7.583 67 HD2 TYR 13 1HD TYR 13 2.258 7.404 7.783 68 HE1 TYR 13 2HE TYR 13 6.031 4.366 8.642 69 HE2 TYR 13 1HE TYR 13 4.306 8.263 8.841 70 HH TYR 13 HH TYR 13 6.237 7.157 10.281 71 H PHE 14 H PHE 14 -0.592 2.270 8.618 72 HA PHE 14 HA PHE 14 -2.686 2.565 6.624 73 HB2 PHE 14 1HB PHE 14 -0.859 0.156 6.709 74 HB3 PHE 14 2HB PHE 14 -2.366 0.232 5.802 75 HD1 PHE 14 2HD PHE 14 -2.554 1.618 3.814 76 HD2 PHE 14 1HD PHE 14 1.106 1.320 5.965 77 HE1 PHE 14 2HE PHE 14 -1.353 2.589 1.898 78 HE2 PHE 14 1HE PHE 14 2.313 2.290 4.053 79 HZ PHE 14 HZ PHE 14 1.083 2.925 2.016 80 H HIS 15 H HIS 15 -4.520 1.213 7.015 81 HA HIS 15 HA HIS 15 -4.542 -0.206 9.578 82 HB2 HIS 15 1HB HIS 15 -6.218 1.033 10.524 83 HB3 HIS 15 2HB HIS 15 -5.462 2.296 9.558 84 HD1 HIS 15 1HD HIS 15 -8.179 -0.309 8.931 85 HD2 HIS 15 2HD HIS 15 -7.333 3.697 8.224 86 HE1 HIS 15 1HE HIS 15 -10.183 0.596 7.712 87 H LEU 16 H LEU 16 -5.578 -2.098 9.479 88 HA LEU 16 HA LEU 16 -6.647 -3.023 7.011 89 HB2 LEU 16 1HB LEU 16 -6.645 -4.209 9.778 90 HB3 LEU 16 2HB LEU 16 -7.264 -5.047 8.357 91 HG LEU 16 HG LEU 16 -4.416 -4.099 8.626 92 HD11 LEU 16 1HD1 LEU 16 -5.766 -6.465 9.708 93 HD12 LEU 16 2HD1 LEU 16 -4.233 -5.721 10.162 94 HD13 LEU 16 3HD1 LEU 16 -4.309 -6.807 8.775 95 HD21 LEU 16 1HD2 LEU 16 -5.878 -5.859 6.675 96 HD22 LEU 16 2HD2 LEU 16 -4.121 -5.859 6.829 97 HD23 LEU 16 3HD2 LEU 16 -4.964 -4.386 6.350 98 H ALA 17 H ALA 17 -8.770 -3.633 6.507 99 HA ALA 17 HA ALA 17 -10.800 -2.029 7.853 100 HB1 ALA 17 1HB ALA 17 -10.681 -3.451 5.217 101 HB2 ALA 17 2HB ALA 17 -12.214 -2.884 5.880 102 HB3 ALA 17 3HB ALA 17 -10.919 -1.734 5.546 103 HA PRO 18 HA PRO 18 -12.546 -5.410 10.067 104 HB2 PRO 18 1HB PRO 18 -15.070 -4.461 10.385 105 HB3 PRO 18 2HB PRO 18 -13.686 -3.828 11.284 106 HG2 PRO 18 1HG PRO 18 -15.023 -2.725 8.843 107 HG3 PRO 18 2HG PRO 18 -14.451 -1.871 10.288 108 HD2 PRO 18 1HD PRO 18 -13.046 -1.922 7.974 109 HD3 PRO 18 2HD PRO 18 -12.262 -1.855 9.565 110 H ALA 19 H ALA 19 -13.980 -7.162 9.843 111 HA ALA 19 HA ALA 19 -15.388 -7.333 7.261 112 HB1 ALA 19 1HB ALA 19 -13.129 -8.625 7.543 113 HB2 ALA 19 2HB ALA 19 -14.132 -9.769 8.435 114 HB3 ALA 19 3HB ALA 19 -14.506 -9.392 6.753 115 H ARG 20 H ARG 20 -17.369 -8.302 7.274 116 HA ARG 20 HA ARG 20 -18.313 -9.412 9.831 117 HB2 ARG 20 1HB ARG 20 -19.677 -7.398 8.051 118 HB3 ARG 20 2HB ARG 20 -20.561 -8.361 9.227 119 HG2 ARG 20 1HG ARG 20 -18.820 -7.436 10.913 120 HG3 ARG 20 2HG ARG 20 -18.548 -6.205 9.679 121 HD2 ARG 20 1HD ARG 20 -20.179 -5.284 11.087 122 HD3 ARG 20 2HD ARG 20 -21.076 -5.877 9.690 123 HE ARG 20 HE ARG 20 -21.228 -7.959 11.369 124 HH11 ARG 20 2HH1 ARG 20 -21.798 -4.556 11.833 125 HH12 ARG 20 1HH1 ARG 20 -22.992 -4.791 13.067 126 HH21 ARG 20 2HH2 ARG 20 -22.797 -8.281 12.993 127 HH22 ARG 20 1HH2 ARG 20 -23.558 -6.911 13.727 128 H ALA 21 H ALA 21 -19.228 -9.043 6.402 129 HA ALA 21 HA ALA 21 -21.007 -11.125 6.179 130 HB1 ALA 21 1HB ALA 21 -18.989 -10.287 4.099 131 HB2 ALA 21 2HB ALA 21 -20.487 -11.171 3.806 132 HB3 ALA 21 3HB ALA 21 -20.545 -9.509 4.392 133 H GLY 22 H GLY 22 -17.469 -11.263 5.893 134 HA2 GLY 22 1HA GLY 22 -16.706 -13.449 7.059 135 HA3 GLY 22 2HA GLY 22 -17.631 -14.195 5.764 136 H HIS 23 H HIS 23 -14.756 -12.392 6.575 137 HA HIS 23 HA HIS 23 -13.241 -13.551 4.504 138 HB2 HIS 23 1HB HIS 23 -12.799 -11.498 3.162 139 HB3 HIS 23 2HB HIS 23 -14.451 -12.090 3.009 140 HD1 HIS 23 1HD HIS 23 -12.482 -9.150 4.016 141 HD2 HIS 23 2HD HIS 23 -16.397 -10.488 4.394 142 HE1 HIS 23 1HE HIS 23 -13.820 -7.131 4.691 143 H HIS 24 H HIS 24 -11.232 -13.611 5.255 144 HA HIS 24 HA HIS 24 -10.295 -12.678 7.592 145 HB2 HIS 24 1HB HIS 24 -9.137 -14.052 5.638 146 HB3 HIS 24 2HB HIS 24 -8.382 -12.496 5.308 147 HD1 HIS 24 1HD HIS 24 -6.135 -12.459 6.312 148 HD2 HIS 24 2HD HIS 24 -8.860 -14.459 8.727 149 HE1 HIS 24 1HE HIS 24 -4.845 -13.139 8.361 150 HA PRO 25 HA PRO 25 -10.159 -8.276 7.410 151 HB2 PRO 25 1HB PRO 25 -8.441 -7.844 9.467 152 HB3 PRO 25 2HB PRO 25 -10.121 -8.340 9.706 153 HG2 PRO 25 1HG PRO 25 -7.631 -10.001 9.750 154 HG3 PRO 25 2HG PRO 25 -9.028 -10.050 10.841 155 HD2 PRO 25 1HD PRO 25 -8.689 -11.829 8.828 156 HD3 PRO 25 2HD PRO 25 -10.292 -11.295 9.370 157 H ASN 26 H ASN 26 -7.744 -10.267 6.391 158 HA ASN 26 HA ASN 26 -5.781 -8.123 6.010 159 HB2 ASN 26 1HB ASN 26 -5.264 -10.559 6.876 160 HB3 ASN 26 2HB ASN 26 -5.288 -10.949 5.159 161 HD21 ASN 26 1HD2 ASN 26 -3.575 -9.449 7.720 162 HD22 ASN 26 2HD2 ASN 26 -2.170 -9.006 6.818 163 H GLN 27 H GLN 27 -8.178 -7.980 4.535 164 HA GLN 27 HA GLN 27 -7.680 -8.995 1.880 165 HB2 GLN 27 1HB GLN 27 -9.967 -8.545 3.095 166 HB3 GLN 27 2HB GLN 27 -9.748 -6.915 2.473 167 HG2 GLN 27 1HG GLN 27 -11.100 -8.103 0.929 168 HG3 GLN 27 2HG GLN 27 -9.511 -7.891 0.195 169 HE21 GLN 27 1HE2 GLN 27 -11.943 -10.046 0.782 170 HE22 GLN 27 2HE2 GLN 27 -11.074 -11.521 0.553 171 H TYR 28 H TYR 28 -8.145 -5.705 3.187 172 HA TYR 28 HA TYR 28 -6.060 -4.751 1.363 173 HB2 TYR 28 1HB TYR 28 -8.921 -3.899 1.410 174 HB3 TYR 28 2HB TYR 28 -7.691 -2.680 1.092 175 HD1 TYR 28 2HD TYR 28 -8.554 -6.148 -0.020 176 HD2 TYR 28 1HD TYR 28 -7.176 -2.274 -1.115 177 HE1 TYR 28 2HE TYR 28 -8.478 -6.847 -2.377 178 HE2 TYR 28 1HE TYR 28 -7.098 -2.962 -3.475 179 HH TYR 28 HH TYR 28 -8.336 -4.784 -4.902 180 H ALA 29 H ALA 29 -5.109 -2.740 1.981 181 HA ALA 29 HA ALA 29 -5.513 -2.104 4.830 182 HB1 ALA 29 1HB ALA 29 -3.195 -1.520 4.977 183 HB2 ALA 29 2HB ALA 29 -3.316 -3.119 4.242 184 HB3 ALA 29 3HB ALA 29 -2.987 -1.709 3.236 185 H THR 30 H THR 30 -6.072 -0.089 5.370 186 HA THR 30 HA THR 30 -6.336 1.885 3.233 187 HB THR 30 HB THR 30 -7.361 2.051 6.072 188 HG1 THR 30 1HG THR 30 -9.404 1.645 4.656 189 HG21 THR 30 1HG2 THR 30 -8.739 3.496 3.928 190 HG22 THR 30 2HG2 THR 30 -7.093 4.055 4.229 191 HG23 THR 30 3HG2 THR 30 -8.272 4.036 5.540 192 H CYS 31 H CYS 31 -4.773 3.320 2.940 193 HA CYS 31 HA CYS 31 -2.639 3.729 4.731 194 HB2 CYS 31 1HB CYS 31 -2.704 4.148 2.203 195 HB3 CYS 31 2HB CYS 31 -3.465 5.687 2.593 196 H ARG 32 H ARG 32 -2.462 4.968 6.477 197 HA ARG 32 HA ARG 32 -4.668 6.698 7.220 198 HB2 ARG 32 1HB ARG 32 -2.150 5.915 8.699 199 HB3 ARG 32 2HB ARG 32 -3.432 6.916 9.370 200 HG2 ARG 32 1HG ARG 32 -4.957 5.135 9.403 201 HG3 ARG 32 2HG ARG 32 -3.957 4.152 8.331 202 HD2 ARG 32 1HD ARG 32 -3.635 3.234 10.466 203 HD3 ARG 32 2HD ARG 32 -2.203 4.220 10.177 204 HE ARG 32 HE ARG 32 -3.903 5.894 11.482 205 HH11 ARG 32 2HH1 ARG 32 -2.612 2.729 12.143 206 HH12 ARG 32 1HH1 ARG 32 -2.648 2.931 13.864 207 HH21 ARG 32 2HH2 ARG 32 -3.955 6.172 13.746 208 HH22 ARG 32 1HH2 ARG 32 -3.412 4.889 14.774 209 H LEU 33 H LEU 33 -2.010 7.096 5.364 210 HA LEU 33 HA LEU 33 -1.280 9.740 6.347 211 HB2 LEU 33 1HB LEU 33 -0.197 7.899 4.251 212 HB3 LEU 33 2HB LEU 33 0.249 9.604 4.256 213 HG LEU 33 HG LEU 33 0.723 7.695 6.544 214 HD11 LEU 33 1HD1 LEU 33 2.424 6.929 5.335 215 HD12 LEU 33 2HD1 LEU 33 3.158 8.522 5.517 216 HD13 LEU 33 3HD1 LEU 33 2.188 8.157 4.090 217 HD21 LEU 33 1HD2 LEU 33 2.294 10.145 6.365 218 HD22 LEU 33 2HD2 LEU 33 1.452 9.434 7.742 219 HD23 LEU 33 3HD2 LEU 33 0.569 10.434 6.588 220 H CYS 34 H CYS 34 -2.585 8.255 3.392 221 HA CYS 34 HA CYS 34 -3.640 10.903 2.639 222 HB2 CYS 34 1HB CYS 34 -3.474 10.229 0.302 223 HB3 CYS 34 2HB CYS 34 -1.902 10.094 1.084 224 H GLY 35 H GLY 35 -4.239 7.422 2.698 225 HA2 GLY 35 1HA GLY 35 -6.439 6.680 3.441 226 HA3 GLY 35 2HA GLY 35 -7.126 8.020 2.536 227 H ARG 36 H ARG 36 -4.538 6.213 1.125 228 HA ARG 36 HA ARG 36 -6.340 5.291 -0.963 229 HB2 ARG 36 1HB ARG 36 -3.354 5.454 -0.684 230 HB3 ARG 36 2HB ARG 36 -4.084 4.484 -1.956 231 HG2 ARG 36 1HG ARG 36 -4.999 7.290 -1.659 232 HG3 ARG 36 2HG ARG 36 -3.393 7.005 -2.332 233 HD2 ARG 36 1HD ARG 36 -4.212 5.964 -4.204 234 HD3 ARG 36 2HD ARG 36 -5.680 5.423 -3.391 235 HE ARG 36 HE ARG 36 -5.246 7.964 -4.707 236 HH11 ARG 36 2HH1 ARG 36 -7.208 6.117 -2.503 237 HH12 ARG 36 1HH1 ARG 36 -8.602 7.130 -2.690 238 HH21 ARG 36 2HH2 ARG 36 -7.073 9.304 -4.962 239 HH22 ARG 36 1HH2 ARG 36 -8.524 8.942 -4.090 240 H GLN 37 H GLN 37 -6.710 3.166 -1.498 241 HA GLN 37 HA GLN 37 -6.278 1.248 0.627 242 HB2 GLN 37 1HB GLN 37 -7.680 0.857 -2.020 243 HB3 GLN 37 2HB GLN 37 -7.777 -0.194 -0.614 244 HG2 GLN 37 1HG GLN 37 -9.773 1.142 -0.791 245 HG3 GLN 37 2HG GLN 37 -8.861 1.607 0.645 246 HE21 GLN 37 1HE2 GLN 37 -8.621 3.694 0.961 247 HE22 GLN 37 2HE2 GLN 37 -8.708 4.926 -0.247 248 H VAL 38 H VAL 38 -4.641 -0.132 0.699 249 HA VAL 38 HA VAL 38 -3.330 -0.903 -1.825 250 HB VAL 38 HB VAL 38 -1.934 -0.368 0.801 251 HG11 VAL 38 1HG1 VAL 38 -1.189 -2.002 -1.364 252 HG12 VAL 38 2HG1 VAL 38 -0.203 -0.542 -1.473 253 HG13 VAL 38 3HG1 VAL 38 -0.199 -1.503 0.007 254 HG21 VAL 38 1HG2 VAL 38 -0.813 1.435 -0.632 255 HG22 VAL 38 2HG2 VAL 38 -2.175 1.224 -1.732 256 HG23 VAL 38 3HG2 VAL 38 -2.456 1.741 -0.070 257 H SER 39 H SER 39 -3.593 -3.002 -2.159 258 HA SER 39 HA SER 39 -3.928 -4.789 0.143 259 HB2 SER 39 1HB SER 39 -4.904 -6.376 -1.424 260 HB3 SER 39 2HB SER 39 -5.687 -4.807 -1.612 261 HG SER 39 HG SER 39 -4.307 -6.252 -3.424 262 H ARG 40 H ARG 40 -2.930 -6.951 0.006 263 HA ARG 40 HA ARG 40 -0.183 -6.714 -0.978 264 HB2 ARG 40 1HB ARG 40 -1.498 -8.470 1.082 265 HB3 ARG 40 2HB ARG 40 0.108 -8.826 0.461 266 HG2 ARG 40 1HG ARG 40 1.053 -6.983 1.462 267 HG3 ARG 40 2HG ARG 40 -0.479 -6.111 1.544 268 HD2 ARG 40 1HD ARG 40 -0.042 -6.736 3.756 269 HD3 ARG 40 2HD ARG 40 -1.217 -7.921 3.187 270 HE ARG 40 HE ARG 40 0.366 -9.556 3.432 271 HH11 ARG 40 2HH1 ARG 40 1.922 -6.442 3.493 272 HH12 ARG 40 1HH1 ARG 40 3.468 -7.078 3.945 273 HH21 ARG 40 2HH2 ARG 40 2.397 -10.406 4.027 274 HH22 ARG 40 1HH2 ARG 40 3.738 -9.333 4.247 275 H GLY 41 H GLY 41 -2.880 -9.039 -0.963 276 HA2 GLY 41 1HA GLY 41 -3.523 -10.185 -2.975 277 HA3 GLY 41 2HA GLY 41 -1.854 -10.087 -3.516 278 HA PRO 42 HA PRO 42 -2.750 -14.312 -1.692 279 HB2 PRO 42 1HB PRO 42 -2.076 -15.726 -3.910 280 HB3 PRO 42 2HB PRO 42 -3.711 -15.122 -3.616 281 HG2 PRO 42 1HG PRO 42 -1.549 -13.972 -5.337 282 HG3 PRO 42 2HG PRO 42 -3.281 -14.137 -5.678 283 HD2 PRO 42 1HD PRO 42 -2.170 -11.801 -4.879 284 HD3 PRO 42 2HD PRO 42 -3.830 -12.265 -4.451 285 H GLY 43 H GLY 43 -1.188 -15.635 -0.845 286 HA2 GLY 43 1HA GLY 43 0.959 -15.935 0.010 287 HA3 GLY 43 2HA GLY 43 1.228 -16.414 -1.659 288 H VAL 44 H VAL 44 1.548 -13.827 0.677 289 HA VAL 44 HA VAL 44 3.417 -12.480 -1.164 290 HB VAL 44 HB VAL 44 1.665 -11.225 0.954 291 HG11 VAL 44 1HG1 VAL 44 4.004 -10.265 0.677 292 HG12 VAL 44 2HG1 VAL 44 3.493 -9.772 -0.939 293 HG13 VAL 44 3HG1 VAL 44 2.657 -9.144 0.482 294 HG21 VAL 44 1HG2 VAL 44 0.378 -11.720 -0.991 295 HG22 VAL 44 2HG2 VAL 44 0.734 -9.993 -1.021 296 HG23 VAL 44 3HG2 VAL 44 1.639 -11.098 -2.056 297 H ASN 45 H ASN 45 5.376 -11.793 -0.360 298 HA ASN 45 HA ASN 45 6.075 -11.696 2.363 299 HB2 ASN 45 1HB ASN 45 5.783 -14.247 1.835 300 HB3 ASN 45 2HB ASN 45 7.356 -14.074 1.063 301 HD21 ASN 45 1HD2 ASN 45 5.795 -12.980 4.060 302 HD22 ASN 45 2HD2 ASN 45 7.100 -13.427 5.100 303 H VAL 46 H VAL 46 7.551 -10.147 2.309 304 HA VAL 46 HA VAL 46 9.987 -10.411 0.860 305 HB VAL 46 HB VAL 46 8.682 -9.694 -1.037 306 HG11 VAL 46 1HG1 VAL 46 6.776 -8.681 -0.125 307 HG12 VAL 46 2HG1 VAL 46 7.729 -7.534 0.818 308 HG13 VAL 46 3HG1 VAL 46 7.629 -7.367 -0.935 309 HG21 VAL 46 1HG2 VAL 46 10.824 -8.120 0.093 310 HG22 VAL 46 2HG2 VAL 46 10.547 -8.604 -1.580 311 HG23 VAL 46 3HG2 VAL 46 9.790 -7.141 -0.949 312 H GLY 47 H GLY 47 11.565 -9.185 1.762 313 HA2 GLY 47 1HA GLY 47 11.341 -8.082 4.249 314 HA3 GLY 47 2HA GLY 47 12.575 -7.599 3.095 315 H THR 48 H THR 48 10.673 -6.503 1.186 316 HA THR 48 HA THR 48 10.199 -3.958 2.546 317 HB THR 48 HB THR 48 10.127 -4.604 -0.408 318 HG1 THR 48 1HG THR 48 12.174 -3.809 -0.460 319 HG21 THR 48 1HG2 THR 48 10.138 -1.920 0.975 320 HG22 THR 48 2HG2 THR 48 8.713 -2.677 0.263 321 HG23 THR 48 3HG2 THR 48 10.071 -2.214 -0.762 322 H THR 49 H THR 49 8.286 -4.395 3.654 323 HA THR 49 HA THR 49 6.025 -5.674 2.846 324 HB THR 49 HB THR 49 5.934 -3.040 4.320 325 HG1 THR 49 1HG THR 49 7.260 -5.250 4.989 326 HG21 THR 49 1HG2 THR 49 3.944 -3.867 5.319 327 HG22 THR 49 2HG2 THR 49 4.211 -5.487 4.674 328 HG23 THR 49 3HG2 THR 49 3.788 -4.163 3.588 329 H ALA 50 H ALA 50 4.617 -5.456 1.240 330 HA ALA 50 HA ALA 50 4.721 -3.882 -0.910 331 HB1 ALA 50 1HB ALA 50 2.735 -5.499 0.258 332 HB2 ALA 50 2HB ALA 50 1.949 -3.993 -0.218 333 HB3 ALA 50 3HB ALA 50 2.838 -4.941 -1.412 334 H LEU 51 H LEU 51 3.510 -2.879 2.223 335 HA LEU 51 HA LEU 51 2.249 -0.496 1.515 336 HB2 LEU 51 1HB LEU 51 3.854 -0.940 4.022 337 HB3 LEU 51 2HB LEU 51 2.506 0.173 3.796 338 HG LEU 51 HG LEU 51 2.237 -2.827 3.675 339 HD11 LEU 51 1HD1 LEU 51 1.844 -2.940 5.900 340 HD12 LEU 51 2HD1 LEU 51 1.204 -1.299 5.985 341 HD13 LEU 51 3HD1 LEU 51 2.947 -1.563 5.920 342 HD21 LEU 51 1HD2 LEU 51 -0.171 -2.204 4.119 343 HD22 LEU 51 2HD2 LEU 51 0.451 -1.795 2.520 344 HD23 LEU 51 3HD2 LEU 51 0.283 -0.541 3.749 345 H TRP 52 H TRP 52 5.593 -0.927 2.684 346 HA TRP 52 HA TRP 52 6.588 1.567 2.575 347 HB2 TRP 52 1HB TRP 52 7.879 -0.968 1.563 348 HB3 TRP 52 2HB TRP 52 8.754 0.550 1.742 349 HD1 TRP 52 HD TRP 52 7.727 -2.471 3.653 350 HE1 TRP 52 1HE TRP 52 8.357 -2.208 6.135 351 HE3 TRP 52 3HE TRP 52 8.863 2.514 3.678 352 HZ2 TRP 52 2HZ TRP 52 9.220 -0.158 7.873 353 HZ3 TRP 52 3HZ TRP 52 9.582 3.549 5.792 354 HH2 TRP 52 HH TRP 52 9.756 2.239 7.845 355 H LYS 53 H LYS 53 6.443 -0.568 -0.279 356 HA LYS 53 HA LYS 53 7.443 0.991 -2.236 357 HB2 LYS 53 1HB LYS 53 5.096 -0.867 -2.210 358 HB3 LYS 53 2HB LYS 53 5.456 0.043 -3.671 359 HG2 LYS 53 1HG LYS 53 6.557 -1.968 -3.999 360 HG3 LYS 53 2HG LYS 53 7.835 -0.895 -3.423 361 HD2 LYS 53 1HD LYS 53 7.602 -1.804 -1.173 362 HD3 LYS 53 2HD LYS 53 6.285 -2.846 -1.717 363 HE2 LYS 53 1HE LYS 53 8.995 -2.959 -2.999 364 HE3 LYS 53 2HE LYS 53 8.648 -3.850 -1.518 365 HZ1 LYS 53 1HZ LYS 53 7.194 -5.237 -2.583 366 HZ2 LYS 53 2HZ LYS 53 8.300 -4.955 -3.831 367 HZ3 LYS 53 3HZ LYS 53 6.826 -4.125 -3.804 368 H HIS 54 H HIS 54 4.148 1.257 -0.938 369 HA HIS 54 HA HIS 54 3.392 3.421 -2.618 370 HB2 HIS 54 1HB HIS 54 1.726 1.967 -1.567 371 HB3 HIS 54 2HB HIS 54 2.236 2.513 0.028 372 HD1 HIS 54 1HD HIS 54 0.779 4.016 -3.149 373 HD2 HIS 54 2HD HIS 54 0.788 4.599 0.964 374 HE1 HIS 54 1HE HIS 54 -0.833 5.901 -2.734 375 H LEU 55 H LEU 55 4.538 3.233 0.736 376 HA LEU 55 HA LEU 55 4.331 5.926 1.401 377 HB2 LEU 55 1HB LEU 55 6.355 3.877 2.287 378 HB3 LEU 55 2HB LEU 55 6.144 5.456 3.040 379 HG LEU 55 HG LEU 55 3.953 3.394 2.900 380 HD11 LEU 55 1HD1 LEU 55 6.070 3.834 4.987 381 HD12 LEU 55 2HD1 LEU 55 5.644 2.337 4.158 382 HD13 LEU 55 3HD1 LEU 55 4.535 3.039 5.335 383 HD21 LEU 55 1HD2 LEU 55 4.279 5.695 4.806 384 HD22 LEU 55 2HD2 LEU 55 2.838 4.729 4.487 385 HD23 LEU 55 3HD2 LEU 55 3.436 5.853 3.265 386 H LYS 56 H LYS 56 7.060 4.177 -0.056 387 HA LYS 56 HA LYS 56 8.643 6.560 -0.327 388 HB2 LYS 56 1HB LYS 56 9.035 3.846 -1.601 389 HB3 LYS 56 2HB LYS 56 10.235 5.128 -1.497 390 HG2 LYS 56 1HG LYS 56 10.700 4.710 0.680 391 HG3 LYS 56 2HG LYS 56 9.055 4.188 1.048 392 HD2 LYS 56 1HD LYS 56 9.427 2.052 0.062 393 HD3 LYS 56 2HD LYS 56 10.967 2.571 -0.628 394 HE2 LYS 56 1HE LYS 56 10.307 2.167 2.285 395 HE3 LYS 56 2HE LYS 56 11.409 1.209 1.298 396 HZ1 LYS 56 1HZ LYS 56 12.681 3.368 0.996 397 HZ2 LYS 56 2HZ LYS 56 12.774 2.633 2.516 398 HZ3 LYS 56 3HZ LYS 56 11.767 3.972 2.285 399 H SER 57 H SER 57 6.047 5.300 -2.014 400 HA SER 57 HA SER 57 6.863 6.135 -4.654 401 HB2 SER 57 1HB SER 57 5.355 4.239 -4.448 402 HB3 SER 57 2HB SER 57 4.181 5.228 -3.581 403 HG SER 57 HG SER 57 5.058 5.845 -6.200 404 H MET 58 H MET 58 4.719 7.324 -2.105 405 HA MET 58 HA MET 58 4.653 9.921 -3.491 406 HB2 MET 58 1HB MET 58 2.377 10.272 -2.781 407 HB3 MET 58 2HB MET 58 2.468 8.741 -3.642 408 HG2 MET 58 1HG MET 58 2.154 7.492 -1.728 409 HG3 MET 58 2HG MET 58 2.691 8.793 -0.668 410 HE1 MET 58 1HE MET 58 -1.144 9.545 -3.028 411 HE2 MET 58 2HE MET 58 0.503 9.405 -3.644 412 HE3 MET 58 3HE MET 58 -0.413 7.953 -3.238 413 H HIS 59 H HIS 59 4.703 8.163 -0.458 414 HA HIS 59 HA HIS 59 4.997 10.630 1.070 415 HB2 HIS 59 1HB HIS 59 4.956 7.766 2.042 416 HB3 HIS 59 2HB HIS 59 4.866 9.210 3.046 417 HD1 HIS 59 1HD HIS 59 2.675 10.818 2.203 418 HD2 HIS 59 2HD HIS 59 2.513 6.702 1.666 419 HE1 HIS 59 1HE HIS 59 0.234 10.268 1.955 420 H ARG 60 H ARG 60 7.048 9.589 -0.846 421 HA ARG 60 HA ARG 60 9.247 8.465 0.396 422 HB2 ARG 60 1HB ARG 60 9.246 8.739 -1.979 423 HB3 ARG 60 2HB ARG 60 9.085 10.484 -1.838 424 HG2 ARG 60 1HG ARG 60 11.325 10.619 -0.878 425 HG3 ARG 60 2HG ARG 60 11.487 8.867 -1.013 426 HD2 ARG 60 1HD ARG 60 11.268 9.020 -3.434 427 HD3 ARG 60 2HD ARG 60 11.050 10.766 -3.316 428 HE ARG 60 HE ARG 60 13.531 9.298 -3.100 429 HH11 ARG 60 2HH1 ARG 60 11.860 12.293 -2.501 430 HH12 ARG 60 1HH1 ARG 60 13.310 13.239 -2.436 431 HH21 ARG 60 2HH2 ARG 60 15.446 10.533 -3.016 432 HH22 ARG 60 1HH2 ARG 60 15.349 12.237 -2.729 433 H GLU 61 H GLU 61 8.208 11.836 0.331 434 HA GLU 61 HA GLU 61 10.524 12.878 1.608 435 HB2 GLU 61 1HB GLU 61 7.727 13.978 1.313 436 HB3 GLU 61 2HB GLU 61 9.056 14.879 2.027 437 HG2 GLU 61 1HG GLU 61 9.204 13.735 -0.742 438 HG3 GLU 61 2HG GLU 61 8.527 15.329 -0.410 439 H GLU 62 H GLU 62 7.395 11.732 2.762 440 HA GLU 62 HA GLU 62 7.607 12.575 5.425 441 HB2 GLU 62 1HB GLU 62 5.489 11.826 4.637 442 HB3 GLU 62 2HB GLU 62 6.142 10.266 4.157 443 HG2 GLU 62 1HG GLU 62 5.078 9.696 6.089 444 HG3 GLU 62 2HG GLU 62 6.689 10.053 6.707 445 H LEU 63 H LEU 63 8.716 9.627 3.824 446 HA LEU 63 HA LEU 63 9.606 8.333 6.191 447 HB2 LEU 63 1HB LEU 63 10.507 7.916 3.344 448 HB3 LEU 63 2HB LEU 63 10.768 6.808 4.690 449 HG LEU 63 HG LEU 63 8.076 7.536 3.536 450 HD11 LEU 63 1HD1 LEU 63 9.736 5.041 3.209 451 HD12 LEU 63 2HD1 LEU 63 9.396 6.237 1.959 452 HD13 LEU 63 3HD1 LEU 63 8.086 5.265 2.629 453 HD21 LEU 63 1HD2 LEU 63 8.971 5.773 5.782 454 HD22 LEU 63 2HD2 LEU 63 7.500 5.401 4.884 455 HD23 LEU 63 3HD2 LEU 63 7.649 6.940 5.733 456 H GLU 64 H GLU 64 11.393 9.995 3.589 457 HA GLU 64 HA GLU 64 13.935 9.822 4.668 458 HB2 GLU 64 1HB GLU 64 12.688 11.997 2.987 459 HB3 GLU 64 2HB GLU 64 14.403 11.934 3.368 460 HG2 GLU 64 1HG GLU 64 14.267 9.540 2.372 461 HG3 GLU 64 2HG GLU 64 12.785 10.134 1.625 462 H LYS 65 H LYS 65 11.405 12.207 5.295 463 HA LYS 65 HA LYS 65 13.026 13.818 7.016 464 HB2 LYS 65 1HB LYS 65 10.902 14.489 5.701 465 HB3 LYS 65 2HB LYS 65 10.019 13.779 7.046 466 HG2 LYS 65 1HG LYS 65 12.125 15.839 7.548 467 HG3 LYS 65 2HG LYS 65 10.503 16.317 7.038 468 HD2 LYS 65 1HD LYS 65 10.837 14.409 9.314 469 HD3 LYS 65 2HD LYS 65 11.082 16.137 9.580 470 HE2 LYS 65 1HE LYS 65 8.618 15.093 8.223 471 HE3 LYS 65 2HE LYS 65 8.738 15.161 9.980 472 HZ1 LYS 65 1HZ LYS 65 7.692 17.137 8.851 473 HZ2 LYS 65 2HZ LYS 65 9.231 17.525 8.267 474 HZ3 LYS 65 3HZ LYS 65 8.945 17.486 9.934 475 H SER 66 H SER 66 10.286 11.619 7.634 476 HA SER 66 HA SER 66 10.155 11.692 10.348 477 HB2 SER 66 1HB SER 66 9.411 9.309 10.257 478 HB3 SER 66 2HB SER 66 8.623 10.331 9.055 479 HG SER 66 HG SER 66 10.416 9.548 7.630 480 H GLY 67 H GLY 67 12.471 9.841 8.409 481 HA2 GLY 67 1HA GLY 67 14.672 9.331 9.032 482 HA3 GLY 67 2HA GLY 67 14.286 9.786 10.685 483 H HIS 68 H HIS 68 12.996 7.382 8.387 484 HA HIS 68 HA HIS 68 12.906 5.424 10.544 485 HB2 HIS 68 1HB HIS 68 11.640 5.699 7.869 486 HB3 HIS 68 2HB HIS 68 11.927 4.061 8.451 487 HD1 HIS 68 1HD HIS 68 9.187 4.116 8.356 488 HD2 HIS 68 2HD HIS 68 11.035 6.279 11.384 489 HE1 HIS 68 1HE HIS 68 7.402 4.516 10.082 490 H GLY 69 H GLY 69 15.493 6.051 9.932 491 HA2 GLY 69 1HA GLY 69 17.509 5.122 9.346 492 HA3 GLY 69 2HA GLY 69 16.684 3.579 9.503 493 H GLN 70 H GLN 70 18.527 3.412 7.730 494 HA GLN 70 HA GLN 70 17.750 4.320 5.115 495 HB2 GLN 70 1HB GLN 70 19.879 2.344 5.953 496 HB3 GLN 70 2HB GLN 70 19.688 3.009 4.336 497 HG2 GLN 70 1HG GLN 70 20.542 4.412 6.842 498 HG3 GLN 70 2HG GLN 70 21.416 4.240 5.321 499 HE21 GLN 70 1HE2 GLN 70 18.928 5.948 7.023 500 HE22 GLN 70 2HE2 GLN 70 18.724 7.219 5.871 501 H SER 71 H SER 71 15.550 3.221 5.578 502 HA SER 71 HA SER 71 15.484 0.369 5.144 503 HB2 SER 71 1HB SER 71 13.010 0.687 5.158 504 HB3 SER 71 2HB SER 71 13.800 1.350 6.589 505 HG SER 71 HG SER 71 12.216 2.756 5.602 506 H GLY 72 H GLY 72 16.831 1.556 3.063 507 HA2 GLY 72 1HA GLY 72 15.779 0.441 0.805 508 HA3 GLY 72 2HA GLY 72 15.079 2.053 0.838 509 HA PRO 73 HA PRO 73 19.685 1.883 -0.630 510 HB2 PRO 73 1HB PRO 73 19.449 1.137 -3.230 511 HB3 PRO 73 2HB PRO 73 19.736 -0.017 -1.922 512 HG2 PRO 73 1HG PRO 73 17.172 0.692 -3.295 513 HG3 PRO 73 2HG PRO 73 17.786 -0.904 -2.826 514 HD2 PRO 73 1HD PRO 73 15.927 0.426 -1.375 515 HD3 PRO 73 2HD PRO 73 17.126 -0.652 -0.632 516 H SER 74 H SER 74 20.376 3.836 -1.236 517 HA SER 74 HA SER 74 18.850 5.987 -1.846 518 HB2 SER 74 1HB SER 74 21.117 6.411 -1.359 519 HB3 SER 74 2HB SER 74 21.683 5.343 -2.644 520 HG SER 74 HG SER 74 20.101 7.488 -3.421 521 H SER 75 H SER 75 18.027 6.997 -3.641 522 HA SER 75 HA SER 75 18.531 6.049 -6.300 523 HB2 SER 75 1HB SER 75 15.946 5.361 -4.913 524 HB3 SER 75 2HB SER 75 16.037 5.514 -6.668 525 HG SER 75 HG SER 75 16.381 3.363 -6.008 526 H GLY 76 H GLY 76 16.893 7.143 -7.867 527 HA2 GLY 76 1HA GLY 76 15.290 9.090 -7.898 528 HA3 GLY 76 2HA GLY 76 16.476 9.897 -6.883 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.352 -23.709 7.801 2 HA2 GLY 1 1HA GLY 1 9.268 -21.630 6.821 3 HA3 GLY 1 2HA GLY 1 7.615 -21.219 6.390 4 H SER 2 H SER 2 9.919 -21.501 9.006 5 HA SER 2 HA SER 2 8.027 -20.249 10.859 6 HB2 SER 2 1HB SER 2 10.757 -21.464 11.349 7 HB3 SER 2 2HB SER 2 9.717 -20.777 12.597 8 HG SER 2 HG SER 2 8.240 -22.392 12.243 9 H SER 3 H SER 3 8.007 -18.131 10.145 10 HA SER 3 HA SER 3 10.217 -16.512 11.017 11 HB2 SER 3 1HB SER 3 9.486 -16.562 8.079 12 HB3 SER 3 2HB SER 3 10.557 -15.383 8.835 13 HG SER 3 HG SER 3 12.023 -16.987 9.248 14 H GLY 4 H GLY 4 9.219 -14.970 12.122 15 HA2 GLY 4 1HA GLY 4 6.500 -14.309 11.859 16 HA3 GLY 4 2HA GLY 4 7.698 -13.363 12.730 17 H SER 5 H SER 5 7.920 -11.354 12.034 18 HA SER 5 HA SER 5 7.448 -10.802 9.178 19 HB2 SER 5 1HB SER 5 6.557 -9.272 11.613 20 HB3 SER 5 2HB SER 5 6.722 -8.477 10.047 21 HG SER 5 HG SER 5 4.660 -9.179 10.084 22 H SER 6 H SER 6 8.359 -8.494 8.656 23 HA SER 6 HA SER 6 10.828 -7.902 10.070 24 HB2 SER 6 1HB SER 6 11.452 -9.657 8.422 25 HB3 SER 6 2HB SER 6 10.860 -8.617 7.127 26 HG SER 6 HG SER 6 13.121 -8.320 8.762 27 H GLY 7 H GLY 7 11.122 -5.770 10.158 28 HA2 GLY 7 1HA GLY 7 10.735 -3.529 9.819 29 HA3 GLY 7 2HA GLY 7 10.937 -3.931 8.120 30 H SER 8 H SER 8 8.379 -4.823 10.418 31 HA SER 8 HA SER 8 6.375 -4.057 8.470 32 HB2 SER 8 1HB SER 8 6.403 -5.596 11.018 33 HB3 SER 8 2HB SER 8 4.890 -4.812 10.564 34 HG SER 8 HG SER 8 5.261 -7.025 9.761 35 H GLU 9 H GLU 9 7.917 -1.902 9.474 36 HA GLU 9 HA GLU 9 6.376 -0.520 11.477 37 HB2 GLU 9 1HB GLU 9 8.859 -0.263 11.178 38 HB3 GLU 9 2HB GLU 9 8.531 0.601 9.682 39 HG2 GLU 9 1HG GLU 9 8.776 2.345 11.126 40 HG3 GLU 9 2HG GLU 9 7.034 2.090 11.228 41 H ALA 10 H ALA 10 6.645 -0.515 7.983 42 HA ALA 10 HA ALA 10 5.413 1.852 7.305 43 HB1 ALA 10 1HB ALA 10 6.404 0.183 5.731 44 HB2 ALA 10 2HB ALA 10 4.927 -0.766 5.898 45 HB3 ALA 10 3HB ALA 10 4.860 0.856 5.208 46 H TRP 11 H TRP 11 3.992 -1.050 8.619 47 HA TRP 11 HA TRP 11 1.325 -0.724 7.960 48 HB2 TRP 11 1HB TRP 11 2.751 -1.968 10.271 49 HB3 TRP 11 2HB TRP 11 1.003 -1.776 10.367 50 HD1 TRP 11 HD TRP 11 3.513 -4.181 9.251 51 HE1 TRP 11 1HE TRP 11 2.480 -5.951 7.694 52 HE3 TRP 11 3HE TRP 11 -0.930 -1.868 8.227 53 HZ2 TRP 11 2HZ TRP 11 0.097 -6.318 6.226 54 HZ3 TRP 11 3HZ TRP 11 -2.531 -2.996 6.736 55 HH2 TRP 11 HH TRP 11 -2.026 -5.174 5.757 56 H GLU 12 H GLU 12 3.264 1.009 10.282 57 HA GLU 12 HA GLU 12 1.255 2.137 11.861 58 HB2 GLU 12 1HB GLU 12 3.901 3.350 11.042 59 HB3 GLU 12 2HB GLU 12 2.895 3.905 12.373 60 HG2 GLU 12 1HG GLU 12 3.955 1.104 12.243 61 HG3 GLU 12 2HG GLU 12 4.883 2.430 12.940 62 H TYR 13 H TYR 13 1.850 2.552 8.580 63 HA TYR 13 HA TYR 13 0.427 5.131 8.548 64 HB2 TYR 13 1HB TYR 13 2.133 3.957 6.346 65 HB3 TYR 13 2HB TYR 13 1.434 5.572 6.395 66 HD1 TYR 13 2HD TYR 13 4.084 3.399 7.695 67 HD2 TYR 13 1HD TYR 13 2.419 7.314 7.762 68 HE1 TYR 13 2HE TYR 13 6.127 4.243 8.771 69 HE2 TYR 13 1HE TYR 13 4.459 8.169 8.838 70 HH TYR 13 HH TYR 13 6.932 6.050 10.034 71 H PHE 14 H PHE 14 -0.527 2.223 8.619 72 HA PHE 14 HA PHE 14 -2.622 2.592 6.644 73 HB2 PHE 14 1HB PHE 14 -0.863 0.130 6.656 74 HB3 PHE 14 2HB PHE 14 -2.348 0.305 5.726 75 HD1 PHE 14 1HD PHE 14 1.126 1.446 6.083 76 HD2 PHE 14 2HD PHE 14 -2.403 1.571 3.707 77 HE1 PHE 14 1HE PHE 14 2.409 2.442 4.235 78 HE2 PHE 14 2HE PHE 14 -1.126 2.566 1.855 79 HZ PHE 14 HZ PHE 14 1.284 3.002 2.117 80 H HIS 15 H HIS 15 -4.455 1.194 6.988 81 HA HIS 15 HA HIS 15 -4.484 -0.322 9.482 82 HB2 HIS 15 1HB HIS 15 -6.072 0.925 10.566 83 HB3 HIS 15 2HB HIS 15 -5.265 2.212 9.677 84 HD1 HIS 15 1HD HIS 15 -8.185 -0.152 9.025 85 HD2 HIS 15 2HD HIS 15 -7.040 3.794 8.410 86 HE1 HIS 15 1HE HIS 15 -10.150 0.952 7.909 87 H LEU 16 H LEU 16 -5.563 -2.170 9.248 88 HA LEU 16 HA LEU 16 -6.830 -2.809 6.774 89 HB2 LEU 16 1HB LEU 16 -6.640 -4.296 9.386 90 HB3 LEU 16 2HB LEU 16 -7.377 -4.962 7.930 91 HG LEU 16 HG LEU 16 -4.517 -4.038 7.988 92 HD11 LEU 16 1HD1 LEU 16 -4.101 -5.688 9.435 93 HD12 LEU 16 2HD1 LEU 16 -4.417 -6.771 8.080 94 HD13 LEU 16 3HD1 LEU 16 -5.702 -6.399 9.228 95 HD21 LEU 16 1HD2 LEU 16 -6.307 -5.407 6.093 96 HD22 LEU 16 2HD2 LEU 16 -4.683 -6.080 6.231 97 HD23 LEU 16 3HD2 LEU 16 -4.901 -4.384 5.795 98 H ALA 17 H ALA 17 -8.937 -2.844 6.236 99 HA ALA 17 HA ALA 17 -10.831 -1.714 8.142 100 HB1 ALA 17 1HB ALA 17 -12.294 -1.396 6.241 101 HB2 ALA 17 2HB ALA 17 -10.686 -0.775 5.869 102 HB3 ALA 17 3HB ALA 17 -11.205 -2.328 5.213 103 HA PRO 18 HA PRO 18 -12.878 -5.485 9.083 104 HB2 PRO 18 1HB PRO 18 -15.417 -4.601 9.455 105 HB3 PRO 18 2HB PRO 18 -14.112 -4.286 10.605 106 HG2 PRO 18 1HG PRO 18 -15.239 -2.501 8.482 107 HG3 PRO 18 2HG PRO 18 -14.788 -2.107 10.151 108 HD2 PRO 18 1HD PRO 18 -13.194 -1.535 8.038 109 HD3 PRO 18 2HD PRO 18 -12.547 -1.942 9.640 110 H ALA 19 H ALA 19 -14.159 -7.097 8.192 111 HA ALA 19 HA ALA 19 -14.566 -7.016 5.398 112 HB1 ALA 19 1HB ALA 19 -15.909 -9.187 5.951 113 HB2 ALA 19 2HB ALA 19 -14.158 -9.146 6.164 114 HB3 ALA 19 3HB ALA 19 -15.220 -8.965 7.560 115 H ARG 20 H ARG 20 -15.949 -5.343 4.847 116 HA ARG 20 HA ARG 20 -18.706 -5.520 5.857 117 HB2 ARG 20 1HB ARG 20 -17.145 -3.252 4.631 118 HB3 ARG 20 2HB ARG 20 -18.893 -3.197 4.811 119 HG2 ARG 20 1HG ARG 20 -17.087 -3.729 7.144 120 HG3 ARG 20 2HG ARG 20 -17.478 -2.091 6.617 121 HD2 ARG 20 1HD ARG 20 -19.944 -3.023 6.715 122 HD3 ARG 20 2HD ARG 20 -19.222 -4.164 7.848 123 HE ARG 20 HE ARG 20 -18.358 -1.780 8.766 124 HH11 ARG 20 2HH1 ARG 20 -21.507 -2.995 7.914 125 HH12 ARG 20 1HH1 ARG 20 -22.345 -2.001 9.059 126 HH21 ARG 20 2HH2 ARG 20 -19.450 -0.465 10.278 127 HH22 ARG 20 1HH2 ARG 20 -21.174 -0.561 10.402 128 H ALA 21 H ALA 21 -20.138 -6.456 4.572 129 HA ALA 21 HA ALA 21 -21.048 -7.442 2.714 130 HB1 ALA 21 1HB ALA 21 -21.862 -5.908 1.192 131 HB2 ALA 21 2HB ALA 21 -21.506 -4.887 2.586 132 HB3 ALA 21 3HB ALA 21 -20.389 -4.938 1.222 133 H GLY 22 H GLY 22 -18.408 -8.237 3.013 134 HA2 GLY 22 1HA GLY 22 -17.777 -8.949 0.288 135 HA3 GLY 22 2HA GLY 22 -16.578 -7.907 1.040 136 H HIS 23 H HIS 23 -15.215 -9.838 0.554 137 HA HIS 23 HA HIS 23 -15.588 -12.244 2.025 138 HB2 HIS 23 1HB HIS 23 -12.940 -11.277 0.966 139 HB3 HIS 23 2HB HIS 23 -13.506 -12.935 1.149 140 HD1 HIS 23 1HD HIS 23 -15.361 -13.721 -0.597 141 HD2 HIS 23 2HD HIS 23 -13.470 -10.125 -1.465 142 HE1 HIS 23 1HE HIS 23 -15.862 -13.266 -3.018 143 H HIS 24 H HIS 24 -13.702 -13.029 3.482 144 HA HIS 24 HA HIS 24 -13.804 -11.865 5.920 145 HB2 HIS 24 1HB HIS 24 -12.180 -13.332 6.565 146 HB3 HIS 24 2HB HIS 24 -12.512 -14.014 4.976 147 HD1 HIS 24 1HD HIS 24 -10.914 -11.838 3.343 148 HD2 HIS 24 2HD HIS 24 -9.495 -13.935 6.638 149 HE1 HIS 24 1HE HIS 24 -8.408 -11.790 3.142 150 HA PRO 25 HA PRO 25 -11.558 -8.098 5.974 151 HB2 PRO 25 1HB PRO 25 -10.430 -8.153 8.443 152 HB3 PRO 25 2HB PRO 25 -12.159 -7.894 8.182 153 HG2 PRO 25 1HG PRO 25 -10.714 -10.403 8.943 154 HG3 PRO 25 2HG PRO 25 -12.234 -9.750 9.581 155 HD2 PRO 25 1HD PRO 25 -12.159 -11.743 7.749 156 HD3 PRO 25 2HD PRO 25 -13.467 -10.544 7.803 157 H ASN 26 H ASN 26 -9.253 -7.288 6.940 158 HA ASN 26 HA ASN 26 -7.010 -7.223 6.569 159 HB2 ASN 26 1HB ASN 26 -7.534 -10.077 7.231 160 HB3 ASN 26 2HB ASN 26 -5.963 -9.686 6.539 161 HD21 ASN 26 1HD2 ASN 26 -4.577 -9.725 8.162 162 HD22 ASN 26 2HD2 ASN 26 -4.761 -8.894 9.666 163 H GLN 27 H GLN 27 -8.643 -7.107 4.303 164 HA GLN 27 HA GLN 27 -7.120 -8.635 2.302 165 HB2 GLN 27 1HB GLN 27 -9.025 -8.098 0.770 166 HB3 GLN 27 2HB GLN 27 -9.461 -9.112 2.139 167 HG2 GLN 27 1HG GLN 27 -10.419 -7.211 3.285 168 HG3 GLN 27 2HG GLN 27 -9.913 -6.142 1.978 169 HE21 GLN 27 1HE2 GLN 27 -10.580 -7.562 -0.235 170 HE22 GLN 27 2HE2 GLN 27 -12.292 -7.783 -0.308 171 H TYR 28 H TYR 28 -8.339 -5.423 3.121 172 HA TYR 28 HA TYR 28 -6.391 -4.291 1.222 173 HB2 TYR 28 1HB TYR 28 -9.232 -3.502 1.771 174 HB3 TYR 28 2HB TYR 28 -8.076 -2.296 1.215 175 HD1 TYR 28 1HD TYR 28 -6.955 -2.608 -1.003 176 HD2 TYR 28 2HD TYR 28 -10.177 -5.077 0.273 177 HE1 TYR 28 1HE TYR 28 -7.320 -3.323 -3.328 178 HE2 TYR 28 2HE TYR 28 -10.549 -5.800 -2.048 179 HH TYR 28 HH TYR 28 -9.552 -5.885 -4.133 180 H ALA 29 H ALA 29 -5.195 -2.543 1.899 181 HA ALA 29 HA ALA 29 -5.364 -1.941 4.775 182 HB1 ALA 29 1HB ALA 29 -3.169 -2.587 3.056 183 HB2 ALA 29 2HB ALA 29 -2.926 -0.983 3.750 184 HB3 ALA 29 3HB ALA 29 -3.188 -2.371 4.807 185 H THR 30 H THR 30 -6.055 0.003 5.355 186 HA THR 30 HA THR 30 -6.339 2.089 3.345 187 HB THR 30 HB THR 30 -7.227 2.168 6.232 188 HG1 THR 30 1HG THR 30 -9.046 1.182 5.617 189 HG21 THR 30 1HG2 THR 30 -7.033 4.313 4.850 190 HG22 THR 30 2HG2 THR 30 -8.587 3.988 5.620 191 HG23 THR 30 3HG2 THR 30 -8.373 3.677 3.897 192 H CYS 31 H CYS 31 -4.648 3.375 3.014 193 HA CYS 31 HA CYS 31 -2.510 3.746 4.794 194 HB2 CYS 31 1HB CYS 31 -2.603 4.166 2.256 195 HB3 CYS 31 2HB CYS 31 -3.275 5.740 2.670 196 H ARG 32 H ARG 32 -2.358 4.911 6.585 197 HA ARG 32 HA ARG 32 -4.481 6.727 7.325 198 HB2 ARG 32 1HB ARG 32 -1.957 5.948 8.796 199 HB3 ARG 32 2HB ARG 32 -3.278 6.893 9.470 200 HG2 ARG 32 1HG ARG 32 -4.672 5.084 9.641 201 HG3 ARG 32 2HG ARG 32 -3.867 4.205 8.339 202 HD2 ARG 32 1HD ARG 32 -3.260 3.063 10.294 203 HD3 ARG 32 2HD ARG 32 -1.860 4.063 9.905 204 HE ARG 32 HE ARG 32 -3.342 5.591 11.615 205 HH11 ARG 32 2HH1 ARG 32 -1.949 2.402 11.734 206 HH12 ARG 32 1HH1 ARG 32 -1.711 2.429 13.450 207 HH21 ARG 32 2HH2 ARG 32 -3.033 5.638 13.874 208 HH22 ARG 32 1HH2 ARG 32 -2.329 4.269 14.666 209 H LEU 33 H LEU 33 -1.887 7.081 5.403 210 HA LEU 33 HA LEU 33 -1.063 9.701 6.389 211 HB2 LEU 33 1HB LEU 33 -0.064 7.858 4.249 212 HB3 LEU 33 2HB LEU 33 0.441 9.546 4.297 213 HG LEU 33 HG LEU 33 0.905 7.498 6.465 214 HD11 LEU 33 1HD1 LEU 33 3.255 7.699 5.829 215 HD12 LEU 33 2HD1 LEU 33 2.810 8.785 4.513 216 HD13 LEU 33 3HD1 LEU 33 2.275 7.104 4.489 217 HD21 LEU 33 1HD2 LEU 33 1.277 9.204 7.831 218 HD22 LEU 33 2HD2 LEU 33 0.868 10.346 6.550 219 HD23 LEU 33 3HD2 LEU 33 2.532 9.793 6.741 220 H CYS 34 H CYS 34 -2.385 8.264 3.412 221 HA CYS 34 HA CYS 34 -3.361 10.940 2.658 222 HB2 CYS 34 1HB CYS 34 -3.400 10.100 0.332 223 HB3 CYS 34 2HB CYS 34 -1.785 10.047 1.033 224 H GLY 35 H GLY 35 -4.197 7.528 2.938 225 HA2 GLY 35 1HA GLY 35 -6.386 6.914 3.744 226 HA3 GLY 35 2HA GLY 35 -7.036 8.317 2.910 227 H ARG 36 H ARG 36 -4.704 6.189 1.420 228 HA ARG 36 HA ARG 36 -6.775 5.377 -0.500 229 HB2 ARG 36 1HB ARG 36 -3.823 5.810 -0.703 230 HB3 ARG 36 2HB ARG 36 -4.597 4.683 -1.809 231 HG2 ARG 36 1HG ARG 36 -6.236 6.655 -2.244 232 HG3 ARG 36 2HG ARG 36 -4.931 7.637 -1.575 233 HD2 ARG 36 1HD ARG 36 -3.424 6.396 -3.249 234 HD3 ARG 36 2HD ARG 36 -4.929 5.923 -4.036 235 HE ARG 36 HE ARG 36 -5.209 8.584 -3.839 236 HH11 ARG 36 2HH1 ARG 36 -2.595 6.592 -4.987 237 HH12 ARG 36 1HH1 ARG 36 -2.032 7.763 -6.134 238 HH21 ARG 36 2HH2 ARG 36 -4.478 10.134 -5.345 239 HH22 ARG 36 1HH2 ARG 36 -3.104 9.778 -6.336 240 H GLN 37 H GLN 37 -7.022 3.227 -1.105 241 HA GLN 37 HA GLN 37 -6.205 1.309 0.910 242 HB2 GLN 37 1HB GLN 37 -8.074 1.175 -1.449 243 HB3 GLN 37 2HB GLN 37 -7.648 -0.251 -0.513 244 HG2 GLN 37 1HG GLN 37 -8.414 1.179 1.516 245 HG3 GLN 37 2HG GLN 37 -9.253 2.129 0.290 246 HE21 GLN 37 1HE2 GLN 37 -9.904 0.010 2.502 247 HE22 GLN 37 2HE2 GLN 37 -11.093 -0.974 1.726 248 H VAL 38 H VAL 38 -4.655 -0.184 0.695 249 HA VAL 38 HA VAL 38 -3.511 -0.636 -1.981 250 HB VAL 38 HB VAL 38 -1.964 -0.318 0.594 251 HG11 VAL 38 1HG1 VAL 38 0.032 -0.666 -0.748 252 HG12 VAL 38 2HG1 VAL 38 -1.031 -2.070 -0.853 253 HG13 VAL 38 3HG1 VAL 38 -0.957 -0.918 -2.186 254 HG21 VAL 38 1HG2 VAL 38 -0.974 1.426 -1.322 255 HG22 VAL 38 2HG2 VAL 38 -2.725 1.524 -1.508 256 HG23 VAL 38 3HG2 VAL 38 -1.986 1.846 0.060 257 H SER 39 H SER 39 -4.357 -2.629 -2.357 258 HA SER 39 HA SER 39 -4.747 -4.658 -0.478 259 HB2 SER 39 1HB SER 39 -4.871 -6.181 -2.440 260 HB3 SER 39 2HB SER 39 -5.830 -4.717 -2.657 261 HG SER 39 HG SER 39 -4.564 -4.119 -4.238 262 H ARG 40 H ARG 40 -3.276 -5.652 0.717 263 HA ARG 40 HA ARG 40 -0.528 -5.556 0.372 264 HB2 ARG 40 1HB ARG 40 -2.018 -6.344 2.390 265 HB3 ARG 40 2HB ARG 40 -1.777 -7.937 1.684 266 HG2 ARG 40 1HG ARG 40 0.597 -7.759 1.932 267 HG3 ARG 40 2HG ARG 40 0.461 -6.075 2.443 268 HD2 ARG 40 1HD ARG 40 0.804 -7.442 4.385 269 HD3 ARG 40 2HD ARG 40 -0.851 -6.835 4.408 270 HE ARG 40 HE ARG 40 -0.002 -9.589 4.037 271 HH11 ARG 40 2HH1 ARG 40 -2.588 -7.261 3.933 272 HH12 ARG 40 1HH1 ARG 40 -3.841 -8.454 4.031 273 HH21 ARG 40 2HH2 ARG 40 -1.641 -11.169 4.167 274 HH22 ARG 40 1HH2 ARG 40 -3.301 -10.676 4.166 275 H GLY 41 H GLY 41 -2.611 -8.399 -0.228 276 HA2 GLY 41 1HA GLY 41 -2.467 -9.631 -2.298 277 HA3 GLY 41 2HA GLY 41 -0.783 -9.144 -2.417 278 HA PRO 42 HA PRO 42 -0.887 -13.484 -0.821 279 HB2 PRO 42 1HB PRO 42 1.121 -14.362 -2.424 280 HB3 PRO 42 2HB PRO 42 -0.570 -14.327 -2.935 281 HG2 PRO 42 1HG PRO 42 1.627 -12.381 -3.525 282 HG3 PRO 42 2HG PRO 42 0.386 -13.032 -4.613 283 HD2 PRO 42 1HD PRO 42 0.199 -10.573 -3.494 284 HD3 PRO 42 2HD PRO 42 -1.226 -11.570 -3.853 285 H GLY 43 H GLY 43 1.504 -14.785 -0.612 286 HA2 GLY 43 1HA GLY 43 2.658 -14.062 1.680 287 HA3 GLY 43 2HA GLY 43 3.612 -14.758 0.378 288 H VAL 44 H VAL 44 2.787 -11.868 2.105 289 HA VAL 44 HA VAL 44 4.644 -10.294 0.463 290 HB VAL 44 HB VAL 44 2.334 -9.400 0.951 291 HG11 VAL 44 1HG1 VAL 44 2.968 -8.298 3.520 292 HG12 VAL 44 2HG1 VAL 44 1.574 -9.265 3.034 293 HG13 VAL 44 3HG1 VAL 44 3.049 -10.058 3.588 294 HG21 VAL 44 1HG2 VAL 44 4.194 -7.443 2.145 295 HG22 VAL 44 2HG2 VAL 44 4.661 -8.107 0.579 296 HG23 VAL 44 3HG2 VAL 44 3.112 -7.284 0.761 297 H ASN 45 H ASN 45 5.693 -12.268 2.212 298 HA ASN 45 HA ASN 45 6.684 -10.844 4.546 299 HB2 ASN 45 1HB ASN 45 7.327 -13.645 3.597 300 HB3 ASN 45 2HB ASN 45 7.703 -12.962 5.176 301 HD21 ASN 45 1HD2 ASN 45 6.286 -13.232 6.756 302 HD22 ASN 45 2HD2 ASN 45 4.660 -13.783 6.564 303 H VAL 46 H VAL 46 7.762 -9.240 3.110 304 HA VAL 46 HA VAL 46 10.484 -10.156 2.490 305 HB VAL 46 HB VAL 46 9.163 -9.927 0.380 306 HG11 VAL 46 1HG1 VAL 46 9.078 -7.022 1.188 307 HG12 VAL 46 2HG1 VAL 46 8.641 -7.645 -0.404 308 HG13 VAL 46 3HG1 VAL 46 7.700 -8.108 1.014 309 HG21 VAL 46 1HG2 VAL 46 11.524 -9.752 0.215 310 HG22 VAL 46 2HG2 VAL 46 10.853 -8.439 -0.752 311 HG23 VAL 46 3HG2 VAL 46 11.514 -8.106 0.848 312 H GLY 47 H GLY 47 12.122 -8.626 2.796 313 HA2 GLY 47 1HA GLY 47 12.009 -6.948 4.929 314 HA3 GLY 47 2HA GLY 47 13.115 -6.697 3.587 315 H THR 48 H THR 48 11.014 -6.188 1.648 316 HA THR 48 HA THR 48 10.354 -3.450 2.486 317 HB THR 48 HB THR 48 10.564 -4.653 -0.280 318 HG1 THR 48 1HG THR 48 12.518 -3.826 -0.257 319 HG21 THR 48 1HG2 THR 48 8.952 -2.530 0.491 320 HG22 THR 48 2HG2 THR 48 9.509 -2.882 -1.145 321 HG23 THR 48 3HG2 THR 48 10.412 -1.759 -0.128 322 H THR 49 H THR 49 8.473 -4.050 3.663 323 HA THR 49 HA THR 49 6.359 -5.598 2.819 324 HB THR 49 HB THR 49 5.928 -3.012 4.304 325 HG1 THR 49 1HG THR 49 7.620 -3.959 5.384 326 HG21 THR 49 1HG2 THR 49 3.885 -3.836 4.623 327 HG22 THR 49 2HG2 THR 49 4.576 -5.260 5.402 328 HG23 THR 49 3HG2 THR 49 4.303 -5.252 3.659 329 H ALA 50 H ALA 50 4.818 -5.439 1.315 330 HA ALA 50 HA ALA 50 4.819 -3.894 -0.867 331 HB1 ALA 50 1HB ALA 50 2.231 -4.098 -0.801 332 HB2 ALA 50 2HB ALA 50 3.217 -5.558 -0.896 333 HB3 ALA 50 3HB ALA 50 2.523 -5.062 0.648 334 H LEU 51 H LEU 51 3.726 -2.883 2.293 335 HA LEU 51 HA LEU 51 2.349 -0.547 1.553 336 HB2 LEU 51 1HB LEU 51 3.927 -0.931 4.086 337 HB3 LEU 51 2HB LEU 51 2.536 0.121 3.833 338 HG LEU 51 HG LEU 51 2.358 -2.879 3.667 339 HD11 LEU 51 1HD1 LEU 51 1.788 -1.142 6.063 340 HD12 LEU 51 2HD1 LEU 51 3.185 -2.204 5.890 341 HD13 LEU 51 3HD1 LEU 51 1.560 -2.887 5.944 342 HD21 LEU 51 1HD2 LEU 51 0.329 -0.674 3.990 343 HD22 LEU 51 2HD2 LEU 51 -0.035 -2.394 4.131 344 HD23 LEU 51 3HD2 LEU 51 0.539 -1.736 2.598 345 H TRP 52 H TRP 52 5.698 -0.934 2.716 346 HA TRP 52 HA TRP 52 6.631 1.598 2.635 347 HB2 TRP 52 1HB TRP 52 7.976 -0.935 1.700 348 HB3 TRP 52 2HB TRP 52 8.829 0.603 1.799 349 HD1 TRP 52 HD TRP 52 7.752 -2.311 3.885 350 HE1 TRP 52 1HE TRP 52 8.439 -1.932 6.337 351 HE3 TRP 52 3HE TRP 52 9.077 2.619 3.604 352 HZ2 TRP 52 2HZ TRP 52 9.413 0.178 7.939 353 HZ3 TRP 52 3HZ TRP 52 9.875 3.743 5.642 354 HH2 TRP 52 HH TRP 52 10.039 2.546 7.764 355 H LYS 53 H LYS 53 6.577 -0.556 -0.207 356 HA LYS 53 HA LYS 53 7.576 1.004 -2.161 357 HB2 LYS 53 1HB LYS 53 5.228 -0.861 -2.170 358 HB3 LYS 53 2HB LYS 53 5.657 0.016 -3.633 359 HG2 LYS 53 1HG LYS 53 7.965 -0.940 -3.412 360 HG3 LYS 53 2HG LYS 53 7.338 -1.964 -2.119 361 HD2 LYS 53 1HD LYS 53 5.698 -2.913 -3.674 362 HD3 LYS 53 2HD LYS 53 6.334 -1.892 -4.966 363 HE2 LYS 53 1HE LYS 53 8.560 -2.987 -4.608 364 HE3 LYS 53 2HE LYS 53 7.763 -4.107 -3.504 365 HZ1 LYS 53 1HZ LYS 53 7.690 -5.262 -5.462 366 HZ2 LYS 53 2HZ LYS 53 7.510 -3.880 -6.420 367 HZ3 LYS 53 3HZ LYS 53 6.197 -4.468 -5.530 368 H HIS 54 H HIS 54 4.302 1.274 -0.834 369 HA HIS 54 HA HIS 54 3.536 3.417 -2.560 370 HB2 HIS 54 1HB HIS 54 1.857 1.948 -1.566 371 HB3 HIS 54 2HB HIS 54 2.333 2.466 0.049 372 HD1 HIS 54 1HD HIS 54 0.828 3.933 -3.112 373 HD2 HIS 54 2HD HIS 54 0.955 4.614 0.984 374 HE1 HIS 54 1HE HIS 54 -0.778 5.822 -2.695 375 H LEU 55 H LEU 55 4.650 3.216 0.799 376 HA LEU 55 HA LEU 55 4.391 5.918 1.461 377 HB2 LEU 55 1HB LEU 55 6.385 3.877 2.430 378 HB3 LEU 55 2HB LEU 55 6.127 5.453 3.175 379 HG LEU 55 HG LEU 55 3.960 3.375 2.938 380 HD11 LEU 55 1HD1 LEU 55 5.724 2.391 4.241 381 HD12 LEU 55 2HD1 LEU 55 4.425 2.893 5.322 382 HD13 LEU 55 3HD1 LEU 55 5.893 3.862 5.198 383 HD21 LEU 55 1HD2 LEU 55 2.826 4.688 4.579 384 HD22 LEU 55 2HD2 LEU 55 3.327 5.766 3.277 385 HD23 LEU 55 3HD2 LEU 55 4.230 5.734 4.792 386 H LYS 56 H LYS 56 6.910 4.198 -0.267 387 HA LYS 56 HA LYS 56 8.589 6.580 -0.381 388 HB2 LYS 56 1HB LYS 56 9.085 3.892 -1.664 389 HB3 LYS 56 2HB LYS 56 10.259 5.172 -1.385 390 HG2 LYS 56 1HG LYS 56 10.502 4.663 0.817 391 HG3 LYS 56 2HG LYS 56 8.849 4.064 0.976 392 HD2 LYS 56 1HD LYS 56 9.965 2.078 1.074 393 HD3 LYS 56 2HD LYS 56 9.768 2.200 -0.675 394 HE2 LYS 56 1HE LYS 56 12.043 3.414 -0.619 395 HE3 LYS 56 2HE LYS 56 12.205 2.719 0.993 396 HZ1 LYS 56 1HZ LYS 56 13.024 1.479 -1.186 397 HZ2 LYS 56 2HZ LYS 56 11.436 0.900 -1.149 398 HZ3 LYS 56 3HZ LYS 56 12.460 0.644 0.173 399 H SER 57 H SER 57 6.043 5.263 -2.093 400 HA SER 57 HA SER 57 6.916 6.053 -4.732 401 HB2 SER 57 1HB SER 57 5.451 4.132 -4.553 402 HB3 SER 57 2HB SER 57 4.239 5.088 -3.700 403 HG SER 57 HG SER 57 4.030 6.351 -5.611 404 H MET 58 H MET 58 4.801 7.289 -2.203 405 HA MET 58 HA MET 58 4.643 9.829 -3.681 406 HB2 MET 58 1HB MET 58 2.369 10.159 -2.899 407 HB3 MET 58 2HB MET 58 2.479 8.647 -3.789 408 HG2 MET 58 1HG MET 58 2.336 7.358 -1.836 409 HG3 MET 58 2HG MET 58 2.668 8.745 -0.800 410 HE1 MET 58 1HE MET 58 0.549 9.118 -3.867 411 HE2 MET 58 2HE MET 58 -0.148 7.535 -3.523 412 HE3 MET 58 3HE MET 58 -1.126 8.991 -3.330 413 H HIS 59 H HIS 59 4.596 8.203 -0.550 414 HA HIS 59 HA HIS 59 4.933 10.719 0.866 415 HB2 HIS 59 1HB HIS 59 4.854 7.878 1.907 416 HB3 HIS 59 2HB HIS 59 4.863 9.333 2.900 417 HD1 HIS 59 1HD HIS 59 2.705 10.988 2.354 418 HD2 HIS 59 2HD HIS 59 2.367 6.962 1.386 419 HE1 HIS 59 1HE HIS 59 0.238 10.555 2.134 420 H ARG 60 H ARG 60 6.988 9.546 -1.005 421 HA ARG 60 HA ARG 60 9.189 8.492 0.249 422 HB2 ARG 60 1HB ARG 60 9.209 8.746 -2.122 423 HB3 ARG 60 2HB ARG 60 9.015 10.490 -2.003 424 HG2 ARG 60 1HG ARG 60 11.222 10.817 -1.352 425 HG3 ARG 60 2HG ARG 60 11.428 9.132 -0.869 426 HD2 ARG 60 1HD ARG 60 11.391 8.416 -3.164 427 HD3 ARG 60 2HD ARG 60 10.990 10.044 -3.708 428 HE ARG 60 HE ARG 60 13.349 10.341 -2.376 429 HH11 ARG 60 2HH1 ARG 60 12.255 8.351 -5.015 430 HH12 ARG 60 1HH1 ARG 60 13.810 8.278 -5.776 431 HH21 ARG 60 2HH2 ARG 60 15.401 10.254 -3.370 432 HH22 ARG 60 1HH2 ARG 60 15.598 9.361 -4.839 433 H GLU 61 H GLU 61 8.149 11.864 0.155 434 HA GLU 61 HA GLU 61 10.461 12.894 1.464 435 HB2 GLU 61 1HB GLU 61 7.701 14.019 1.005 436 HB3 GLU 61 2HB GLU 61 8.967 14.914 1.834 437 HG2 GLU 61 1HG GLU 61 9.179 13.844 -0.970 438 HG3 GLU 61 2HG GLU 61 8.747 15.500 -0.550 439 H GLU 62 H GLU 62 7.245 11.902 2.547 440 HA GLU 62 HA GLU 62 7.382 12.769 5.188 441 HB2 GLU 62 1HB GLU 62 5.418 11.708 3.873 442 HB3 GLU 62 2HB GLU 62 6.071 10.174 4.431 443 HG2 GLU 62 1HG GLU 62 5.333 12.423 6.281 444 HG3 GLU 62 2HG GLU 62 4.220 11.137 5.817 445 H LEU 63 H LEU 63 8.281 9.599 3.840 446 HA LEU 63 HA LEU 63 9.168 8.445 6.229 447 HB2 LEU 63 1HB LEU 63 10.138 7.932 3.421 448 HB3 LEU 63 2HB LEU 63 10.405 6.878 4.808 449 HG LEU 63 HG LEU 63 7.729 7.513 3.564 450 HD11 LEU 63 1HD1 LEU 63 8.440 4.755 3.512 451 HD12 LEU 63 2HD1 LEU 63 9.742 5.694 2.782 452 HD13 LEU 63 3HD1 LEU 63 8.097 5.838 2.163 453 HD21 LEU 63 1HD2 LEU 63 8.511 5.708 5.849 454 HD22 LEU 63 2HD2 LEU 63 6.939 5.678 5.048 455 HD23 LEU 63 3HD2 LEU 63 7.461 7.124 5.915 456 H GLU 64 H GLU 64 11.202 9.756 3.602 457 HA GLU 64 HA GLU 64 13.660 9.650 4.692 458 HB2 GLU 64 1HB GLU 64 12.406 11.899 3.127 459 HB3 GLU 64 2HB GLU 64 14.110 11.895 3.559 460 HG2 GLU 64 1HG GLU 64 14.248 9.640 2.413 461 HG3 GLU 64 2HG GLU 64 12.644 9.985 1.770 462 H LYS 65 H LYS 65 11.283 12.201 5.376 463 HA LYS 65 HA LYS 65 12.756 13.812 7.049 464 HB2 LYS 65 1HB LYS 65 9.836 13.069 7.113 465 HB3 LYS 65 2HB LYS 65 10.522 14.265 8.204 466 HG2 LYS 65 1HG LYS 65 11.097 15.702 6.405 467 HG3 LYS 65 2HG LYS 65 10.734 14.454 5.211 468 HD2 LYS 65 1HD LYS 65 8.356 14.549 6.368 469 HD3 LYS 65 2HD LYS 65 8.891 16.178 6.789 470 HE2 LYS 65 1HE LYS 65 9.426 16.519 4.359 471 HE3 LYS 65 2HE LYS 65 8.631 14.979 4.037 472 HZ1 LYS 65 1HZ LYS 65 6.647 15.986 5.217 473 HZ2 LYS 65 2HZ LYS 65 7.005 16.598 3.682 474 HZ3 LYS 65 3HZ LYS 65 7.428 17.478 5.063 475 H SER 66 H SER 66 10.756 11.027 8.024 476 HA SER 66 HA SER 66 11.682 11.122 10.734 477 HB2 SER 66 1HB SER 66 9.879 9.360 9.144 478 HB3 SER 66 2HB SER 66 10.568 8.700 10.627 479 HG SER 66 HG SER 66 8.464 10.136 10.513 480 H GLY 67 H GLY 67 12.306 8.681 11.551 481 HA2 GLY 67 1HA GLY 67 14.962 8.308 10.478 482 HA3 GLY 67 2HA GLY 67 14.266 7.475 11.860 483 H HIS 68 H HIS 68 13.176 7.680 8.483 484 HA HIS 68 HA HIS 68 13.503 4.759 8.294 485 HB2 HIS 68 1HB HIS 68 11.197 6.393 7.212 486 HB3 HIS 68 2HB HIS 68 11.426 4.664 6.972 487 HD1 HIS 68 1HD HIS 68 11.957 3.603 9.693 488 HD2 HIS 68 2HD HIS 68 9.209 6.644 9.016 489 HE1 HIS 68 1HE HIS 68 10.392 3.545 11.660 490 H GLY 69 H GLY 69 15.404 6.646 7.428 491 HA2 GLY 69 1HA GLY 69 15.303 7.540 4.836 492 HA3 GLY 69 2HA GLY 69 16.768 6.941 5.599 493 H GLN 70 H GLN 70 16.576 4.349 5.803 494 HA GLN 70 HA GLN 70 15.716 3.324 3.185 495 HB2 GLN 70 1HB GLN 70 17.791 1.933 3.134 496 HB3 GLN 70 2HB GLN 70 18.082 3.660 2.975 497 HG2 GLN 70 1HG GLN 70 18.854 3.822 5.213 498 HG3 GLN 70 2HG GLN 70 18.319 2.183 5.580 499 HE21 GLN 70 1HE2 GLN 70 20.721 2.414 6.297 500 HE22 GLN 70 2HE2 GLN 70 21.875 1.820 5.156 501 H SER 71 H SER 71 14.637 1.448 3.254 502 HA SER 71 HA SER 71 14.729 -0.110 5.753 503 HB2 SER 71 1HB SER 71 12.595 1.312 5.245 504 HB3 SER 71 2HB SER 71 12.236 0.032 4.087 505 HG SER 71 HG SER 71 11.421 -0.915 5.783 506 H GLY 72 H GLY 72 16.369 -0.649 3.562 507 HA2 GLY 72 1HA GLY 72 16.243 -3.320 3.199 508 HA3 GLY 72 2HA GLY 72 15.141 -2.728 1.965 509 HA PRO 73 HA PRO 73 19.815 -1.675 1.018 510 HB2 PRO 73 1HB PRO 73 21.304 -3.929 1.294 511 HB3 PRO 73 2HB PRO 73 21.116 -2.737 2.586 512 HG2 PRO 73 1HG PRO 73 19.696 -5.343 2.191 513 HG3 PRO 73 2HG PRO 73 20.359 -4.644 3.680 514 HD2 PRO 73 1HD PRO 73 17.723 -4.540 3.071 515 HD3 PRO 73 2HD PRO 73 18.542 -3.261 3.990 516 H SER 74 H SER 74 19.083 -1.560 -1.082 517 HA SER 74 HA SER 74 19.864 -3.635 -2.853 518 HB2 SER 74 1HB SER 74 17.702 -4.571 -1.994 519 HB3 SER 74 2HB SER 74 16.880 -3.165 -2.671 520 HG SER 74 HG SER 74 17.946 -5.380 -3.936 521 H SER 75 H SER 75 20.760 -2.421 -4.375 522 HA SER 75 HA SER 75 20.266 0.248 -4.895 523 HB2 SER 75 1HB SER 75 22.152 -1.402 -5.739 524 HB3 SER 75 2HB SER 75 21.109 -1.521 -7.156 525 HG SER 75 HG SER 75 21.783 1.002 -6.117 526 H GLY 76 H GLY 76 18.397 1.142 -5.468 527 HA2 GLY 76 1HA GLY 76 17.012 0.095 -7.823 528 HA3 GLY 76 2HA GLY 76 16.089 0.212 -6.332 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.133 -12.649 16.316 2 HA2 GLY 1 1HA GLY 1 6.444 -14.354 16.577 3 HA3 GLY 1 2HA GLY 1 5.083 -14.596 15.491 4 H SER 2 H SER 2 6.843 -15.249 14.009 5 HA SER 2 HA SER 2 8.438 -13.062 12.931 6 HB2 SER 2 1HB SER 2 8.365 -15.968 12.084 7 HB3 SER 2 2HB SER 2 9.570 -14.767 11.619 8 HG SER 2 HG SER 2 10.475 -14.897 13.550 9 H SER 3 H SER 3 5.714 -12.688 12.573 10 HA SER 3 HA SER 3 4.525 -13.619 10.276 11 HB2 SER 3 1HB SER 3 4.342 -11.069 11.810 12 HB3 SER 3 2HB SER 3 3.590 -11.123 10.215 13 HG SER 3 HG SER 3 2.975 -12.585 12.530 14 H GLY 4 H GLY 4 6.811 -10.923 10.596 15 HA2 GLY 4 1HA GLY 4 7.189 -11.044 7.667 16 HA3 GLY 4 2HA GLY 4 7.159 -9.520 8.542 17 H SER 5 H SER 5 9.236 -8.978 7.810 18 HA SER 5 HA SER 5 11.414 -10.612 8.935 19 HB2 SER 5 1HB SER 5 11.325 -10.289 6.413 20 HB3 SER 5 2HB SER 5 11.691 -8.590 6.708 21 HG SER 5 HG SER 5 13.466 -9.825 8.091 22 H SER 6 H SER 6 10.045 -8.847 10.593 23 HA SER 6 HA SER 6 10.431 -7.231 12.147 24 HB2 SER 6 1HB SER 6 12.621 -8.318 12.405 25 HB3 SER 6 2HB SER 6 13.267 -7.340 11.087 26 HG SER 6 HG SER 6 13.579 -6.624 13.391 27 H GLY 7 H GLY 7 9.360 -6.439 9.695 28 HA2 GLY 7 1HA GLY 7 10.341 -3.668 9.590 29 HA3 GLY 7 2HA GLY 7 10.139 -4.563 8.091 30 H SER 8 H SER 8 8.045 -4.684 10.932 31 HA SER 8 HA SER 8 5.769 -4.040 9.248 32 HB2 SER 8 1HB SER 8 4.429 -4.611 11.256 33 HB3 SER 8 2HB SER 8 5.547 -5.900 10.810 34 HG SER 8 HG SER 8 6.918 -5.229 12.463 35 H GLU 9 H GLU 9 7.591 -1.912 9.639 36 HA GLU 9 HA GLU 9 6.453 -0.144 11.629 37 HB2 GLU 9 1HB GLU 9 8.775 -0.072 9.777 38 HB3 GLU 9 2HB GLU 9 8.089 1.474 10.256 39 HG2 GLU 9 1HG GLU 9 9.614 1.240 11.908 40 HG3 GLU 9 2HG GLU 9 8.266 0.390 12.663 41 H ALA 10 H ALA 10 6.687 -0.253 8.083 42 HA ALA 10 HA ALA 10 5.382 2.060 7.407 43 HB1 ALA 10 1HB ALA 10 6.217 0.918 5.593 44 HB2 ALA 10 2HB ALA 10 5.537 -0.624 6.113 45 HB3 ALA 10 3HB ALA 10 4.488 0.614 5.424 46 H TRP 11 H TRP 11 4.037 -0.827 8.791 47 HA TRP 11 HA TRP 11 1.368 -0.630 8.097 48 HB2 TRP 11 1HB TRP 11 2.845 -1.744 10.426 49 HB3 TRP 11 2HB TRP 11 1.105 -1.534 10.602 50 HD1 TRP 11 HD TRP 11 3.520 -4.030 9.517 51 HE1 TRP 11 1HE TRP 11 2.406 -5.855 8.085 52 HE3 TRP 11 3HE TRP 11 -0.908 -1.682 8.512 53 HZ2 TRP 11 2HZ TRP 11 -0.028 -6.247 6.710 54 HZ3 TRP 11 3HZ TRP 11 -2.576 -2.850 7.130 55 HH2 TRP 11 HH TRP 11 -2.143 -5.085 6.248 56 H GLU 12 H GLU 12 3.206 1.244 10.411 57 HA GLU 12 HA GLU 12 1.138 2.388 11.883 58 HB2 GLU 12 1HB GLU 12 3.766 3.634 11.057 59 HB3 GLU 12 2HB GLU 12 2.713 4.240 12.328 60 HG2 GLU 12 1HG GLU 12 2.991 1.968 13.428 61 HG3 GLU 12 2HG GLU 12 4.302 1.697 12.281 62 H TYR 13 H TYR 13 1.928 2.779 8.599 63 HA TYR 13 HA TYR 13 0.370 5.270 8.428 64 HB2 TYR 13 1HB TYR 13 2.141 4.076 6.291 65 HB3 TYR 13 2HB TYR 13 1.434 5.688 6.314 66 HD1 TYR 13 2HD TYR 13 4.068 3.538 7.689 67 HD2 TYR 13 1HD TYR 13 2.400 7.452 7.660 68 HE1 TYR 13 2HE TYR 13 6.093 4.402 8.785 69 HE2 TYR 13 1HE TYR 13 4.421 8.328 8.755 70 HH TYR 13 HH TYR 13 6.752 6.329 10.179 71 H PHE 14 H PHE 14 -0.501 2.341 8.590 72 HA PHE 14 HA PHE 14 -2.566 2.572 6.570 73 HB2 PHE 14 1HB PHE 14 -0.685 0.205 6.644 74 HB3 PHE 14 2HB PHE 14 -2.182 0.265 5.720 75 HD1 PHE 14 2HD PHE 14 -2.366 1.646 3.736 76 HD2 PHE 14 1HD PHE 14 1.262 1.441 5.951 77 HE1 PHE 14 2HE PHE 14 -1.160 2.663 1.848 78 HE2 PHE 14 1HE PHE 14 2.474 2.459 4.067 79 HZ PHE 14 HZ PHE 14 1.263 3.070 2.012 80 H HIS 15 H HIS 15 -4.351 1.128 6.925 81 HA HIS 15 HA HIS 15 -4.349 -0.362 9.435 82 HB2 HIS 15 1HB HIS 15 -5.973 0.851 10.500 83 HB3 HIS 15 2HB HIS 15 -5.218 2.153 9.586 84 HD1 HIS 15 1HD HIS 15 -8.024 -0.348 8.936 85 HD2 HIS 15 2HD HIS 15 -7.077 3.654 8.344 86 HE1 HIS 15 1HE HIS 15 -10.038 0.662 7.818 87 H LEU 16 H LEU 16 -5.387 -2.239 9.231 88 HA LEU 16 HA LEU 16 -6.555 -2.997 6.758 89 HB2 LEU 16 1HB LEU 16 -6.405 -4.315 9.453 90 HB3 LEU 16 2HB LEU 16 -7.229 -5.063 8.086 91 HG LEU 16 HG LEU 16 -4.309 -4.305 8.113 92 HD11 LEU 16 1HD1 LEU 16 -5.276 -7.119 8.185 93 HD12 LEU 16 2HD1 LEU 16 -5.216 -6.199 9.687 94 HD13 LEU 16 3HD1 LEU 16 -3.748 -6.434 8.739 95 HD21 LEU 16 1HD2 LEU 16 -5.041 -4.347 5.882 96 HD22 LEU 16 2HD2 LEU 16 -6.081 -5.745 6.159 97 HD23 LEU 16 3HD2 LEU 16 -4.327 -5.936 6.157 98 H ALA 17 H ALA 17 -8.668 -3.302 6.175 99 HA ALA 17 HA ALA 17 -10.656 -1.999 7.889 100 HB1 ALA 17 1HB ALA 17 -10.790 -0.993 5.824 101 HB2 ALA 17 2HB ALA 17 -10.453 -2.490 4.953 102 HB3 ALA 17 3HB ALA 17 -12.036 -2.234 5.688 103 HA PRO 18 HA PRO 18 -12.710 -5.746 8.906 104 HB2 PRO 18 1HB PRO 18 -15.274 -4.875 9.108 105 HB3 PRO 18 2HB PRO 18 -14.031 -4.491 10.306 106 HG2 PRO 18 1HG PRO 18 -15.065 -2.820 8.047 107 HG3 PRO 18 2HG PRO 18 -14.703 -2.344 9.716 108 HD2 PRO 18 1HD PRO 18 -13.009 -1.853 7.661 109 HD3 PRO 18 2HD PRO 18 -12.440 -2.178 9.311 110 H ALA 19 H ALA 19 -13.657 -7.452 7.905 111 HA ALA 19 HA ALA 19 -14.269 -7.213 5.106 112 HB1 ALA 19 1HB ALA 19 -14.810 -9.722 5.436 113 HB2 ALA 19 2HB ALA 19 -13.139 -9.177 5.591 114 HB3 ALA 19 3HB ALA 19 -14.101 -9.494 7.035 115 H ARG 20 H ARG 20 -16.145 -6.079 4.807 116 HA ARG 20 HA ARG 20 -18.568 -7.106 6.121 117 HB2 ARG 20 1HB ARG 20 -18.159 -4.462 4.712 118 HB3 ARG 20 2HB ARG 20 -19.600 -4.962 5.588 119 HG2 ARG 20 1HG ARG 20 -18.127 -5.149 7.636 120 HG3 ARG 20 2HG ARG 20 -16.887 -4.315 6.697 121 HD2 ARG 20 1HD ARG 20 -18.075 -2.343 6.628 122 HD3 ARG 20 2HD ARG 20 -19.627 -3.149 6.853 123 HE ARG 20 HE ARG 20 -17.831 -2.231 8.908 124 HH11 ARG 20 2HH1 ARG 20 -20.433 -4.407 8.121 125 HH12 ARG 20 1HH1 ARG 20 -20.977 -4.557 9.759 126 HH21 ARG 20 2HH2 ARG 20 -18.538 -2.421 11.068 127 HH22 ARG 20 1HH2 ARG 20 -19.898 -3.426 11.435 128 H ALA 21 H ALA 21 -17.267 -6.082 2.987 129 HA ALA 21 HA ALA 21 -19.437 -6.503 1.354 130 HB1 ALA 21 1HB ALA 21 -16.517 -6.555 0.992 131 HB2 ALA 21 2HB ALA 21 -17.454 -7.388 -0.249 132 HB3 ALA 21 3HB ALA 21 -17.761 -5.686 0.093 133 H GLY 22 H GLY 22 -16.963 -8.923 2.231 134 HA2 GLY 22 1HA GLY 22 -18.681 -11.050 2.643 135 HA3 GLY 22 2HA GLY 22 -18.308 -11.068 0.926 136 H HIS 23 H HIS 23 -15.933 -10.990 0.390 137 HA HIS 23 HA HIS 23 -14.605 -13.187 1.330 138 HB2 HIS 23 1HB HIS 23 -13.729 -10.699 -0.052 139 HB3 HIS 23 2HB HIS 23 -12.479 -11.747 0.611 140 HD1 HIS 23 1HD HIS 23 -15.567 -12.198 -1.579 141 HD2 HIS 23 2HD HIS 23 -11.671 -13.587 -1.184 142 HE1 HIS 23 1HE HIS 23 -15.225 -13.795 -3.491 143 H HIS 24 H HIS 24 -12.991 -13.599 2.839 144 HA HIS 24 HA HIS 24 -13.215 -12.499 5.346 145 HB2 HIS 24 1HB HIS 24 -11.547 -13.924 5.959 146 HB3 HIS 24 2HB HIS 24 -11.843 -14.585 4.354 147 HD1 HIS 24 1HD HIS 24 -10.314 -12.577 2.630 148 HD2 HIS 24 2HD HIS 24 -8.851 -14.154 6.184 149 HE1 HIS 24 1HE HIS 24 -7.813 -12.357 2.484 150 HA PRO 25 HA PRO 25 -11.097 -8.658 5.433 151 HB2 PRO 25 1HB PRO 25 -9.920 -8.715 7.879 152 HB3 PRO 25 2HB PRO 25 -11.662 -8.515 7.656 153 HG2 PRO 25 1HG PRO 25 -10.111 -10.982 8.343 154 HG3 PRO 25 2HG PRO 25 -11.641 -10.397 9.022 155 HD2 PRO 25 1HD PRO 25 -11.530 -12.353 7.153 156 HD3 PRO 25 2HD PRO 25 -12.880 -11.204 7.254 157 H ASN 26 H ASN 26 -8.782 -7.836 6.484 158 HA ASN 26 HA ASN 26 -6.547 -7.689 6.086 159 HB2 ASN 26 1HB ASN 26 -7.000 -10.590 6.557 160 HB3 ASN 26 2HB ASN 26 -5.451 -10.125 5.860 161 HD21 ASN 26 1HD2 ASN 26 -7.617 -8.827 8.358 162 HD22 ASN 26 2HD2 ASN 26 -6.393 -8.651 9.565 163 H GLN 27 H GLN 27 -8.196 -7.428 3.855 164 HA GLN 27 HA GLN 27 -6.724 -8.820 1.726 165 HB2 GLN 27 1HB GLN 27 -8.630 -8.005 0.270 166 HB3 GLN 27 2HB GLN 27 -9.048 -9.208 1.483 167 HG2 GLN 27 1HG GLN 27 -9.942 -7.471 2.926 168 HG3 GLN 27 2HG GLN 27 -9.484 -6.242 1.749 169 HE21 GLN 27 1HE2 GLN 27 -10.258 -7.243 -0.599 170 HE22 GLN 27 2HE2 GLN 27 -11.965 -7.504 -0.634 171 H TYR 28 H TYR 28 -7.897 -5.624 2.712 172 HA TYR 28 HA TYR 28 -5.783 -4.434 1.044 173 HB2 TYR 28 1HB TYR 28 -8.677 -3.671 1.252 174 HB3 TYR 28 2HB TYR 28 -7.470 -2.450 0.866 175 HD1 TYR 28 2HD TYR 28 -8.844 -5.712 -0.259 176 HD2 TYR 28 1HD TYR 28 -6.658 -2.221 -1.324 177 HE1 TYR 28 2HE TYR 28 -8.921 -6.392 -2.622 178 HE2 TYR 28 1HE TYR 28 -6.730 -2.890 -3.690 179 HH TYR 28 HH TYR 28 -8.538 -4.540 -5.080 180 H ALA 29 H ALA 29 -4.842 -2.521 1.835 181 HA ALA 29 HA ALA 29 -5.317 -2.052 4.706 182 HB1 ALA 29 1HB ALA 29 -3.063 -1.742 5.058 183 HB2 ALA 29 2HB ALA 29 -3.053 -2.991 3.812 184 HB3 ALA 29 3HB ALA 29 -2.750 -1.309 3.377 185 H THR 30 H THR 30 -6.022 -0.108 5.293 186 HA THR 30 HA THR 30 -6.259 1.982 3.291 187 HB THR 30 HB THR 30 -7.214 2.005 6.160 188 HG1 THR 30 1HG THR 30 -8.237 0.340 5.004 189 HG21 THR 30 1HG2 THR 30 -8.265 3.973 5.726 190 HG22 THR 30 2HG2 THR 30 -8.534 3.579 4.028 191 HG23 THR 30 3HG2 THR 30 -6.951 4.142 4.563 192 H CYS 31 H CYS 31 -4.611 3.326 2.995 193 HA CYS 31 HA CYS 31 -2.504 3.715 4.825 194 HB2 CYS 31 1HB CYS 31 -2.485 4.089 2.298 195 HB3 CYS 31 2HB CYS 31 -3.251 5.640 2.627 196 H ARG 32 H ARG 32 -2.287 5.030 6.517 197 HA ARG 32 HA ARG 32 -4.497 6.748 7.255 198 HB2 ARG 32 1HB ARG 32 -1.923 6.022 8.659 199 HB3 ARG 32 2HB ARG 32 -3.127 7.110 9.336 200 HG2 ARG 32 1HG ARG 32 -4.783 5.303 9.270 201 HG3 ARG 32 2HG ARG 32 -3.550 4.215 8.628 202 HD2 ARG 32 1HD ARG 32 -2.223 4.505 10.649 203 HD3 ARG 32 2HD ARG 32 -3.416 5.637 11.285 204 HE ARG 32 HE ARG 32 -4.917 3.473 10.902 205 HH11 ARG 32 2HH1 ARG 32 -1.769 3.823 12.347 206 HH12 ARG 32 1HH1 ARG 32 -1.973 2.485 13.428 207 HH21 ARG 32 2HH2 ARG 32 -5.198 1.710 12.321 208 HH22 ARG 32 1HH2 ARG 32 -3.923 1.283 13.412 209 H LEU 33 H LEU 33 -1.747 7.105 5.423 210 HA LEU 33 HA LEU 33 -1.096 9.804 6.241 211 HB2 LEU 33 1HB LEU 33 -0.100 7.959 4.097 212 HB3 LEU 33 2HB LEU 33 0.360 9.660 4.126 213 HG LEU 33 HG LEU 33 0.902 7.688 6.345 214 HD11 LEU 33 1HD1 LEU 33 3.109 7.517 5.580 215 HD12 LEU 33 2HD1 LEU 33 2.920 8.868 4.462 216 HD13 LEU 33 3HD1 LEU 33 2.117 7.332 4.134 217 HD21 LEU 33 1HD2 LEU 33 2.608 9.909 6.458 218 HD22 LEU 33 2HD2 LEU 33 1.308 9.491 7.573 219 HD23 LEU 33 3HD2 LEU 33 0.987 10.553 6.202 220 H CYS 34 H CYS 34 -2.299 8.293 3.240 221 HA CYS 34 HA CYS 34 -3.418 10.899 2.465 222 HB2 CYS 34 1HB CYS 34 -3.527 9.965 0.181 223 HB3 CYS 34 2HB CYS 34 -1.889 9.942 0.827 224 H GLY 35 H GLY 35 -4.210 7.451 2.715 225 HA2 GLY 35 1HA GLY 35 -6.359 6.845 3.683 226 HA3 GLY 35 2HA GLY 35 -7.055 8.229 2.853 227 H ARG 36 H ARG 36 -4.772 6.028 1.361 228 HA ARG 36 HA ARG 36 -6.923 5.144 -0.444 229 HB2 ARG 36 1HB ARG 36 -4.047 5.798 -0.869 230 HB3 ARG 36 2HB ARG 36 -4.758 4.536 -1.865 231 HG2 ARG 36 1HG ARG 36 -6.626 6.340 -2.253 232 HG3 ARG 36 2HG ARG 36 -5.331 7.451 -1.799 233 HD2 ARG 36 1HD ARG 36 -3.940 6.081 -3.531 234 HD3 ARG 36 2HD ARG 36 -5.525 5.615 -4.148 235 HE ARG 36 HE ARG 36 -5.157 8.456 -3.797 236 HH11 ARG 36 2HH1 ARG 36 -4.851 5.741 -5.955 237 HH12 ARG 36 1HH1 ARG 36 -4.892 6.710 -7.390 238 HH21 ARG 36 2HH2 ARG 36 -5.213 9.743 -5.680 239 HH22 ARG 36 1HH2 ARG 36 -5.097 8.986 -7.233 240 H GLN 37 H GLN 37 -7.148 2.983 -0.947 241 HA GLN 37 HA GLN 37 -6.095 1.141 1.010 242 HB2 GLN 37 1HB GLN 37 -7.945 0.694 -1.339 243 HB3 GLN 37 2HB GLN 37 -7.549 -0.514 -0.123 244 HG2 GLN 37 1HG GLN 37 -8.503 1.023 1.598 245 HG3 GLN 37 2HG GLN 37 -9.051 2.058 0.280 246 HE21 GLN 37 1HE2 GLN 37 -10.076 -0.159 2.381 247 HE22 GLN 37 2HE2 GLN 37 -11.358 -0.886 1.479 248 H VAL 38 H VAL 38 -4.404 -0.166 0.765 249 HA VAL 38 HA VAL 38 -3.376 -0.636 -1.957 250 HB VAL 38 HB VAL 38 -1.733 -0.158 0.533 251 HG11 VAL 38 1HG1 VAL 38 -0.368 -1.604 -0.571 252 HG12 VAL 38 2HG1 VAL 38 -1.071 -1.240 -2.148 253 HG13 VAL 38 3HG1 VAL 38 0.077 -0.120 -1.413 254 HG21 VAL 38 1HG2 VAL 38 -0.872 1.705 -1.142 255 HG22 VAL 38 2HG2 VAL 38 -2.505 1.532 -1.785 256 HG23 VAL 38 3HG2 VAL 38 -2.266 1.971 -0.094 257 H SER 39 H SER 39 -3.950 -2.701 -2.319 258 HA SER 39 HA SER 39 -3.994 -4.697 -0.275 259 HB2 SER 39 1HB SER 39 -4.370 -6.259 -2.236 260 HB3 SER 39 2HB SER 39 -5.543 -4.951 -2.077 261 HG SER 39 HG SER 39 -4.725 -5.264 -4.239 262 H ARG 40 H ARG 40 -2.581 -6.366 0.110 263 HA ARG 40 HA ARG 40 0.130 -5.944 -0.149 264 HB2 ARG 40 1HB ARG 40 -1.314 -8.589 0.109 265 HB3 ARG 40 2HB ARG 40 0.403 -8.344 0.403 266 HG2 ARG 40 1HG ARG 40 -1.700 -6.827 1.912 267 HG3 ARG 40 2HG ARG 40 -1.131 -8.417 2.425 268 HD2 ARG 40 1HD ARG 40 0.742 -6.128 1.892 269 HD3 ARG 40 2HD ARG 40 0.000 -6.391 3.470 270 HE ARG 40 HE ARG 40 2.091 -7.970 2.236 271 HH11 ARG 40 2HH1 ARG 40 -0.326 -7.760 4.733 272 HH12 ARG 40 1HH1 ARG 40 0.425 -8.952 5.741 273 HH21 ARG 40 2HH2 ARG 40 3.089 -9.542 3.554 274 HH22 ARG 40 1HH2 ARG 40 2.367 -9.965 5.070 275 H GLY 41 H GLY 41 -1.754 -8.338 -2.020 276 HA2 GLY 41 1HA GLY 41 -1.432 -8.143 -4.508 277 HA3 GLY 41 2HA GLY 41 0.287 -8.098 -4.143 278 HA PRO 42 HA PRO 42 -1.127 -12.496 -4.980 279 HB2 PRO 42 1HB PRO 42 0.535 -12.941 -7.080 280 HB3 PRO 42 2HB PRO 42 -1.087 -12.264 -7.266 281 HG2 PRO 42 1HG PRO 42 1.556 -10.860 -7.208 282 HG3 PRO 42 2HG PRO 42 0.169 -10.590 -8.280 283 HD2 PRO 42 1HD PRO 42 0.688 -9.010 -6.142 284 HD3 PRO 42 2HD PRO 42 -0.962 -9.340 -6.707 285 H GLY 43 H GLY 43 2.159 -11.143 -5.324 286 HA2 GLY 43 1HA GLY 43 3.094 -13.088 -3.338 287 HA3 GLY 43 2HA GLY 43 3.885 -13.064 -4.907 288 H VAL 44 H VAL 44 2.771 -10.522 -2.669 289 HA VAL 44 HA VAL 44 4.788 -8.700 -3.222 290 HB VAL 44 HB VAL 44 2.742 -8.165 -1.936 291 HG11 VAL 44 1HG1 VAL 44 2.957 -8.583 0.595 292 HG12 VAL 44 2HG1 VAL 44 2.444 -9.922 -0.434 293 HG13 VAL 44 3HG1 VAL 44 4.110 -9.838 0.141 294 HG21 VAL 44 1HG2 VAL 44 4.259 -6.999 0.013 295 HG22 VAL 44 2HG2 VAL 44 5.459 -7.334 -1.235 296 HG23 VAL 44 3HG2 VAL 44 4.037 -6.363 -1.617 297 H ASN 45 H ASN 45 6.778 -8.236 -2.337 298 HA ASN 45 HA ASN 45 8.236 -10.462 -1.275 299 HB2 ASN 45 1HB ASN 45 9.302 -7.654 -1.369 300 HB3 ASN 45 2HB ASN 45 10.164 -9.172 -1.597 301 HD21 ASN 45 1HD2 ASN 45 8.896 -10.485 -3.475 302 HD22 ASN 45 2HD2 ASN 45 8.798 -9.585 -4.946 303 H VAL 46 H VAL 46 8.461 -10.995 0.788 304 HA VAL 46 HA VAL 46 7.234 -9.758 2.919 305 HB VAL 46 HB VAL 46 9.751 -11.428 3.013 306 HG11 VAL 46 1HG1 VAL 46 8.664 -9.972 5.061 307 HG12 VAL 46 2HG1 VAL 46 7.904 -11.551 5.273 308 HG13 VAL 46 3HG1 VAL 46 9.663 -11.413 5.249 309 HG21 VAL 46 1HG2 VAL 46 8.471 -13.142 2.418 310 HG22 VAL 46 2HG2 VAL 46 7.457 -12.864 3.835 311 HG23 VAL 46 3HG2 VAL 46 7.067 -12.081 2.304 312 H GLY 47 H GLY 47 10.662 -9.484 1.976 313 HA2 GLY 47 1HA GLY 47 11.632 -7.843 3.926 314 HA3 GLY 47 2HA GLY 47 12.129 -7.725 2.244 315 H THR 48 H THR 48 10.649 -6.418 0.823 316 HA THR 48 HA THR 48 10.105 -3.903 2.165 317 HB THR 48 HB THR 48 9.843 -4.555 -0.776 318 HG1 THR 48 1HG THR 48 11.940 -3.876 -0.971 319 HG21 THR 48 1HG2 THR 48 10.516 -1.832 0.076 320 HG22 THR 48 2HG2 THR 48 8.912 -2.369 0.575 321 HG23 THR 48 3HG2 THR 48 9.357 -2.388 -1.131 322 H THR 49 H THR 49 8.242 -4.443 3.369 323 HA THR 49 HA THR 49 5.944 -5.677 2.590 324 HB THR 49 HB THR 49 5.762 -3.114 4.148 325 HG1 THR 49 1HG THR 49 7.511 -4.102 5.089 326 HG21 THR 49 1HG2 THR 49 4.277 -4.771 5.523 327 HG22 THR 49 2HG2 THR 49 4.290 -5.714 4.033 328 HG23 THR 49 3HG2 THR 49 3.660 -4.068 4.029 329 H ALA 50 H ALA 50 4.433 -5.358 1.094 330 HA ALA 50 HA ALA 50 4.458 -3.692 -0.991 331 HB1 ALA 50 1HB ALA 50 1.740 -3.732 -0.369 332 HB2 ALA 50 2HB ALA 50 2.622 -4.885 -1.372 333 HB3 ALA 50 3HB ALA 50 2.400 -5.201 0.349 334 H LEU 51 H LEU 51 3.325 -2.829 2.227 335 HA LEU 51 HA LEU 51 2.115 -0.389 1.683 336 HB2 LEU 51 1HB LEU 51 3.794 -0.990 4.109 337 HB3 LEU 51 2HB LEU 51 2.469 0.166 3.984 338 HG LEU 51 HG LEU 51 2.121 -2.818 3.731 339 HD11 LEU 51 1HD1 LEU 51 2.275 -1.056 6.101 340 HD12 LEU 51 2HD1 LEU 51 2.660 -2.768 5.929 341 HD13 LEU 51 3HD1 LEU 51 0.980 -2.253 6.076 342 HD21 LEU 51 1HD2 LEU 51 -0.077 -2.436 3.456 343 HD22 LEU 51 2HD2 LEU 51 0.460 -0.849 2.903 344 HD23 LEU 51 3HD2 LEU 51 -0.086 -1.065 4.566 345 H TRP 52 H TRP 52 5.504 -0.987 2.612 346 HA TRP 52 HA TRP 52 6.498 1.555 2.569 347 HB2 TRP 52 1HB TRP 52 7.752 -1.032 1.662 348 HB3 TRP 52 2HB TRP 52 8.655 0.479 1.705 349 HD1 TRP 52 HD TRP 52 7.597 -2.366 3.868 350 HE1 TRP 52 1HE TRP 52 8.316 -1.940 6.302 351 HE3 TRP 52 3HE TRP 52 8.904 2.560 3.477 352 HZ2 TRP 52 2HZ TRP 52 9.306 0.201 7.852 353 HZ3 TRP 52 3HZ TRP 52 9.728 3.725 5.482 354 HH2 TRP 52 HH TRP 52 9.923 2.568 7.623 355 H LYS 53 H LYS 53 6.311 -0.619 -0.250 356 HA LYS 53 HA LYS 53 7.351 0.884 -2.232 357 HB2 LYS 53 1HB LYS 53 4.939 -0.895 -2.190 358 HB3 LYS 53 2HB LYS 53 5.370 -0.042 -3.666 359 HG2 LYS 53 1HG LYS 53 7.401 -1.185 -3.869 360 HG3 LYS 53 2HG LYS 53 7.354 -1.743 -2.195 361 HD2 LYS 53 1HD LYS 53 5.747 -3.360 -2.649 362 HD3 LYS 53 2HD LYS 53 5.215 -2.556 -4.128 363 HE2 LYS 53 1HE LYS 53 8.018 -3.538 -3.988 364 HE3 LYS 53 2HE LYS 53 6.730 -4.727 -4.182 365 HZ1 LYS 53 1HZ LYS 53 5.948 -3.355 -6.101 366 HZ2 LYS 53 2HZ LYS 53 7.443 -4.111 -6.334 367 HZ3 LYS 53 3HZ LYS 53 7.377 -2.458 -5.977 368 H HIS 54 H HIS 54 4.102 1.284 -0.873 369 HA HIS 54 HA HIS 54 3.416 3.456 -2.603 370 HB2 HIS 54 1HB HIS 54 1.664 2.067 -1.657 371 HB3 HIS 54 2HB HIS 54 2.166 2.492 -0.023 372 HD1 HIS 54 1HD HIS 54 0.596 4.055 -3.087 373 HD2 HIS 54 2HD HIS 54 1.030 4.773 0.982 374 HE1 HIS 54 1HE HIS 54 -0.882 6.028 -2.591 375 H LEU 55 H LEU 55 4.600 3.175 0.716 376 HA LEU 55 HA LEU 55 4.393 5.877 1.432 377 HB2 LEU 55 1HB LEU 55 6.329 3.758 2.346 378 HB3 LEU 55 2HB LEU 55 6.154 5.337 3.109 379 HG LEU 55 HG LEU 55 3.876 3.383 2.892 380 HD11 LEU 55 1HD1 LEU 55 4.594 3.228 5.475 381 HD12 LEU 55 2HD1 LEU 55 6.181 3.413 4.731 382 HD13 LEU 55 3HD1 LEU 55 5.129 2.084 4.244 383 HD21 LEU 55 1HD2 LEU 55 4.185 5.414 5.038 384 HD22 LEU 55 2HD2 LEU 55 2.725 4.786 4.274 385 HD23 LEU 55 3HD2 LEU 55 3.725 5.969 3.428 386 H LYS 56 H LYS 56 6.832 4.123 -0.369 387 HA LYS 56 HA LYS 56 8.582 6.454 -0.459 388 HB2 LYS 56 1HB LYS 56 8.961 3.770 -1.793 389 HB3 LYS 56 2HB LYS 56 10.181 5.013 -1.548 390 HG2 LYS 56 1HG LYS 56 10.483 4.484 0.642 391 HG3 LYS 56 2HG LYS 56 8.820 3.932 0.854 392 HD2 LYS 56 1HD LYS 56 9.269 1.850 -0.126 393 HD3 LYS 56 2HD LYS 56 10.774 2.419 -0.851 394 HE2 LYS 56 1HE LYS 56 10.319 2.175 2.118 395 HE3 LYS 56 2HE LYS 56 11.063 0.917 1.131 396 HZ1 LYS 56 1HZ LYS 56 12.141 3.660 1.108 397 HZ2 LYS 56 2HZ LYS 56 12.922 2.206 0.741 398 HZ3 LYS 56 3HZ LYS 56 12.562 2.590 2.349 399 H SER 57 H SER 57 5.963 5.265 -2.151 400 HA SER 57 HA SER 57 6.814 6.079 -4.789 401 HB2 SER 57 1HB SER 57 5.239 4.192 -4.469 402 HB3 SER 57 2HB SER 57 4.054 5.315 -3.802 403 HG SER 57 HG SER 57 5.129 5.936 -6.292 404 H MET 58 H MET 58 4.678 7.303 -2.250 405 HA MET 58 HA MET 58 4.639 9.894 -3.651 406 HB2 MET 58 1HB MET 58 2.386 10.285 -2.865 407 HB3 MET 58 2HB MET 58 2.435 8.765 -3.748 408 HG2 MET 58 1HG MET 58 2.216 7.492 -1.812 409 HG3 MET 58 2HG MET 58 2.690 8.830 -0.768 410 HE1 MET 58 1HE MET 58 -1.141 9.405 -3.176 411 HE2 MET 58 2HE MET 58 0.514 9.281 -3.773 412 HE3 MET 58 3HE MET 58 -0.379 7.822 -3.341 413 H HIS 59 H HIS 59 4.623 8.189 -0.569 414 HA HIS 59 HA HIS 59 5.042 10.665 0.904 415 HB2 HIS 59 1HB HIS 59 4.927 7.817 1.918 416 HB3 HIS 59 2HB HIS 59 4.905 9.275 2.905 417 HD1 HIS 59 1HD HIS 59 2.749 10.933 2.185 418 HD2 HIS 59 2HD HIS 59 2.449 6.847 1.495 419 HE1 HIS 59 1HE HIS 59 0.288 10.468 1.960 420 H ARG 60 H ARG 60 7.036 9.532 -1.021 421 HA ARG 60 HA ARG 60 9.220 8.379 0.239 422 HB2 ARG 60 1HB ARG 60 9.364 8.467 -2.085 423 HB3 ARG 60 2HB ARG 60 8.935 10.171 -2.146 424 HG2 ARG 60 1HG ARG 60 11.257 9.875 -2.727 425 HG3 ARG 60 2HG ARG 60 11.125 10.741 -1.194 426 HD2 ARG 60 1HD ARG 60 11.966 8.999 0.020 427 HD3 ARG 60 2HD ARG 60 11.356 7.783 -1.101 428 HE ARG 60 HE ARG 60 13.914 9.083 -1.181 429 HH11 ARG 60 2HH1 ARG 60 11.476 7.458 -3.061 430 HH12 ARG 60 1HH1 ARG 60 12.579 6.958 -4.300 431 HH21 ARG 60 2HH2 ARG 60 15.376 8.431 -2.806 432 HH22 ARG 60 1HH2 ARG 60 14.798 7.511 -4.153 433 H GLU 61 H GLU 61 8.179 11.729 0.160 434 HA GLU 61 HA GLU 61 10.580 12.762 1.338 435 HB2 GLU 61 1HB GLU 61 7.849 14.047 1.158 436 HB3 GLU 61 2HB GLU 61 9.368 14.866 1.496 437 HG2 GLU 61 1HG GLU 61 9.190 15.340 -0.708 438 HG3 GLU 61 2HG GLU 61 10.040 13.800 -0.827 439 H GLU 62 H GLU 62 7.366 11.873 2.511 440 HA GLU 62 HA GLU 62 7.621 12.818 5.134 441 HB2 GLU 62 1HB GLU 62 5.461 12.179 4.368 442 HB3 GLU 62 2HB GLU 62 6.009 10.560 3.955 443 HG2 GLU 62 1HG GLU 62 4.885 10.157 5.901 444 HG3 GLU 62 2HG GLU 62 6.524 10.392 6.505 445 H LEU 63 H LEU 63 8.503 9.708 3.697 446 HA LEU 63 HA LEU 63 9.223 8.373 6.048 447 HB2 LEU 63 1HB LEU 63 10.347 8.078 3.267 448 HB3 LEU 63 2HB LEU 63 10.592 6.934 4.584 449 HG LEU 63 HG LEU 63 7.986 7.571 3.205 450 HD11 LEU 63 1HD1 LEU 63 9.041 4.830 3.331 451 HD12 LEU 63 2HD1 LEU 63 9.958 5.952 2.327 452 HD13 LEU 63 3HD1 LEU 63 8.244 5.684 2.011 453 HD21 LEU 63 1HD2 LEU 63 7.380 5.457 4.684 454 HD22 LEU 63 2HD2 LEU 63 7.198 7.104 5.290 455 HD23 LEU 63 3HD2 LEU 63 8.615 6.151 5.735 456 H GLU 64 H GLU 64 11.381 9.972 3.695 457 HA GLU 64 HA GLU 64 13.775 9.745 4.951 458 HB2 GLU 64 1HB GLU 64 12.693 12.184 3.532 459 HB3 GLU 64 2HB GLU 64 14.386 11.947 3.943 460 HG2 GLU 64 1HG GLU 64 14.069 9.712 2.610 461 HG3 GLU 64 2HG GLU 64 12.725 10.591 1.884 462 H LYS 65 H LYS 65 11.262 12.130 5.679 463 HA LYS 65 HA LYS 65 12.610 13.686 7.532 464 HB2 LYS 65 1HB LYS 65 10.356 14.191 6.651 465 HB3 LYS 65 2HB LYS 65 9.697 12.873 7.611 466 HG2 LYS 65 1HG LYS 65 9.229 14.633 8.975 467 HG3 LYS 65 2HG LYS 65 10.825 14.194 9.588 468 HD2 LYS 65 1HD LYS 65 10.958 16.506 9.334 469 HD3 LYS 65 2HD LYS 65 11.715 15.889 7.864 470 HE2 LYS 65 1HE LYS 65 9.454 16.121 6.758 471 HE3 LYS 65 2HE LYS 65 8.938 17.004 8.194 472 HZ1 LYS 65 1HZ LYS 65 9.638 18.724 6.916 473 HZ2 LYS 65 2HZ LYS 65 10.790 17.809 6.082 474 HZ3 LYS 65 3HZ LYS 65 11.116 18.354 7.650 475 H SER 66 H SER 66 10.705 10.737 8.110 476 HA SER 66 HA SER 66 11.499 10.678 10.895 477 HB2 SER 66 1HB SER 66 9.236 9.879 9.762 478 HB3 SER 66 2HB SER 66 10.126 8.367 9.592 479 HG SER 66 HG SER 66 8.870 9.192 11.711 480 H GLY 67 H GLY 67 13.637 10.524 8.998 481 HA2 GLY 67 1HA GLY 67 15.567 9.338 8.630 482 HA3 GLY 67 2HA GLY 67 15.170 8.467 10.104 483 H HIS 68 H HIS 68 14.130 6.476 9.981 484 HA HIS 68 HA HIS 68 14.096 4.366 9.029 485 HB2 HIS 68 1HB HIS 68 12.110 6.054 7.525 486 HB3 HIS 68 2HB HIS 68 12.260 4.327 7.215 487 HD1 HIS 68 1HD HIS 68 12.556 3.283 10.080 488 HD2 HIS 68 2HD HIS 68 9.790 6.166 8.937 489 HE1 HIS 68 1HE HIS 68 10.731 3.187 11.807 490 H GLY 69 H GLY 69 16.330 5.766 8.049 491 HA2 GLY 69 1HA GLY 69 16.500 5.763 5.225 492 HA3 GLY 69 2HA GLY 69 17.861 5.744 6.337 493 H GLN 70 H GLN 70 17.683 3.394 7.611 494 HA GLN 70 HA GLN 70 18.108 1.484 5.435 495 HB2 GLN 70 1HB GLN 70 18.965 1.452 8.331 496 HB3 GLN 70 2HB GLN 70 19.258 0.132 7.207 497 HG2 GLN 70 1HG GLN 70 20.354 2.047 5.772 498 HG3 GLN 70 2HG GLN 70 20.509 2.820 7.349 499 HE21 GLN 70 1HE2 GLN 70 21.724 0.458 5.225 500 HE22 GLN 70 2HE2 GLN 70 22.957 -0.175 6.255 501 H SER 71 H SER 71 15.788 1.199 5.147 502 HA SER 71 HA SER 71 14.438 -0.274 7.285 503 HB2 SER 71 1HB SER 71 12.403 0.020 5.903 504 HB3 SER 71 2HB SER 71 13.179 1.560 6.276 505 HG SER 71 HG SER 71 12.971 0.205 3.844 506 H GLY 72 H GLY 72 16.546 -1.629 6.055 507 HA2 GLY 72 1HA GLY 72 16.515 -4.011 5.656 508 HA3 GLY 72 2HA GLY 72 15.055 -3.784 4.704 509 HA PRO 73 HA PRO 73 18.939 -3.915 2.008 510 HB2 PRO 73 1HB PRO 73 18.407 -6.267 0.760 511 HB3 PRO 73 2HB PRO 73 19.339 -6.164 2.259 512 HG2 PRO 73 1HG PRO 73 16.453 -6.854 1.866 513 HG3 PRO 73 2HG PRO 73 17.650 -7.614 2.930 514 HD2 PRO 73 1HD PRO 73 15.816 -5.840 3.835 515 HD3 PRO 73 2HD PRO 73 17.437 -5.983 4.545 516 H SER 74 H SER 74 18.764 -2.817 0.161 517 HA SER 74 HA SER 74 16.405 -3.249 -1.538 518 HB2 SER 74 1HB SER 74 16.317 -1.124 -0.055 519 HB3 SER 74 2HB SER 74 17.546 -0.492 -1.150 520 HG SER 74 HG SER 74 16.028 -0.128 -2.542 521 H SER 75 H SER 75 17.003 -3.804 -3.515 522 HA SER 75 HA SER 75 19.734 -3.452 -4.382 523 HB2 SER 75 1HB SER 75 18.250 -5.510 -4.804 524 HB3 SER 75 2HB SER 75 17.486 -4.545 -6.067 525 HG SER 75 HG SER 75 19.087 -5.193 -7.256 526 H GLY 76 H GLY 76 18.581 -0.980 -4.019 527 HA2 GLY 76 1HA GLY 76 18.313 1.044 -5.066 528 HA3 GLY 76 2HA GLY 76 19.142 0.317 -6.434 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.669 -9.363 17.620 2 HA2 GLY 1 1HA GLY 1 6.834 -8.944 15.343 3 HA3 GLY 1 2HA GLY 1 8.470 -9.567 15.191 4 H SER 2 H SER 2 5.607 -10.579 14.606 5 HA SER 2 HA SER 2 5.935 -13.200 15.915 6 HB2 SER 2 1HB SER 2 3.843 -11.806 16.459 7 HB3 SER 2 2HB SER 2 3.325 -12.171 14.813 8 HG SER 2 HG SER 2 3.747 -13.938 16.971 9 H SER 3 H SER 3 4.422 -11.772 13.014 10 HA SER 3 HA SER 3 4.722 -14.211 11.528 11 HB2 SER 3 1HB SER 3 3.709 -12.996 9.688 12 HB3 SER 3 2HB SER 3 2.830 -12.625 11.172 13 HG SER 3 HG SER 3 3.171 -10.669 10.331 14 H GLY 4 H GLY 4 5.689 -13.997 9.221 15 HA2 GLY 4 1HA GLY 4 8.479 -13.396 9.567 16 HA3 GLY 4 2HA GLY 4 7.723 -14.050 8.121 17 H SER 5 H SER 5 7.558 -11.007 9.979 18 HA SER 5 HA SER 5 7.875 -9.569 7.425 19 HB2 SER 5 1HB SER 5 5.606 -9.396 8.597 20 HB3 SER 5 2HB SER 5 6.440 -8.461 9.837 21 HG SER 5 HG SER 5 7.104 -7.522 7.422 22 H SER 6 H SER 6 10.074 -9.268 7.532 23 HA SER 6 HA SER 6 11.355 -8.285 9.910 24 HB2 SER 6 1HB SER 6 12.567 -9.748 8.361 25 HB3 SER 6 2HB SER 6 12.400 -8.549 7.079 26 HG SER 6 HG SER 6 14.373 -8.175 7.930 27 H GLY 7 H GLY 7 9.441 -6.512 9.576 28 HA2 GLY 7 1HA GLY 7 10.420 -4.046 9.718 29 HA3 GLY 7 2HA GLY 7 10.398 -4.270 7.976 30 H SER 8 H SER 8 8.113 -5.196 10.545 31 HA SER 8 HA SER 8 5.892 -4.328 8.925 32 HB2 SER 8 1HB SER 8 4.501 -5.341 10.536 33 HB3 SER 8 2HB SER 8 5.943 -6.355 10.513 34 HG SER 8 HG SER 8 6.489 -4.570 12.281 35 H GLU 9 H GLU 9 7.569 -2.188 9.455 36 HA GLU 9 HA GLU 9 6.333 -0.653 11.604 37 HB2 GLU 9 1HB GLU 9 8.883 -0.739 10.924 38 HB3 GLU 9 2HB GLU 9 8.393 0.491 9.768 39 HG2 GLU 9 1HG GLU 9 7.815 2.007 11.433 40 HG3 GLU 9 2HG GLU 9 7.718 0.754 12.670 41 H ALA 10 H ALA 10 6.512 -0.759 8.103 42 HA ALA 10 HA ALA 10 5.444 1.709 7.439 43 HB1 ALA 10 1HB ALA 10 6.262 0.417 5.670 44 HB2 ALA 10 2HB ALA 10 5.266 -0.972 6.105 45 HB3 ALA 10 3HB ALA 10 4.518 0.464 5.406 46 H TRP 11 H TRP 11 3.891 -1.079 8.804 47 HA TRP 11 HA TRP 11 1.242 -0.671 8.108 48 HB2 TRP 11 1HB TRP 11 2.618 -1.920 10.438 49 HB3 TRP 11 2HB TRP 11 0.889 -1.612 10.574 50 HD1 TRP 11 HD TRP 11 3.183 -4.227 9.508 51 HE1 TRP 11 1HE TRP 11 2.004 -5.961 8.016 52 HE3 TRP 11 3HE TRP 11 -1.074 -1.609 8.430 53 HZ2 TRP 11 2HZ TRP 11 -0.411 -6.190 6.573 54 HZ3 TRP 11 3HZ TRP 11 -2.769 -2.657 6.986 55 HH2 TRP 11 HH TRP 11 -2.442 -4.900 6.078 56 H GLU 12 H GLU 12 3.253 1.127 10.284 57 HA GLU 12 HA GLU 12 1.310 2.359 11.876 58 HB2 GLU 12 1HB GLU 12 3.960 3.460 10.924 59 HB3 GLU 12 2HB GLU 12 2.997 4.132 12.233 60 HG2 GLU 12 1HG GLU 12 3.248 2.033 13.477 61 HG3 GLU 12 2HG GLU 12 4.251 1.396 12.174 62 H TYR 13 H TYR 13 2.064 2.762 8.560 63 HA TYR 13 HA TYR 13 0.562 5.289 8.451 64 HB2 TYR 13 1HB TYR 13 2.284 4.070 6.287 65 HB3 TYR 13 2HB TYR 13 1.591 5.688 6.304 66 HD1 TYR 13 2HD TYR 13 4.159 3.507 7.799 67 HD2 TYR 13 1HD TYR 13 2.640 7.471 7.505 68 HE1 TYR 13 2HE TYR 13 6.199 4.362 8.874 69 HE2 TYR 13 1HE TYR 13 4.676 8.337 8.578 70 HH TYR 13 HH TYR 13 7.240 7.336 8.738 71 H PHE 14 H PHE 14 -0.401 2.395 8.597 72 HA PHE 14 HA PHE 14 -2.469 2.704 6.584 73 HB2 PHE 14 1HB PHE 14 -0.667 0.277 6.676 74 HB3 PHE 14 2HB PHE 14 -2.181 0.354 5.781 75 HD1 PHE 14 1HD PHE 14 1.269 1.581 5.967 76 HD2 PHE 14 2HD PHE 14 -2.348 1.568 3.724 77 HE1 PHE 14 1HE PHE 14 2.466 2.530 4.039 78 HE2 PHE 14 2HE PHE 14 -1.157 2.516 1.791 79 HZ PHE 14 HZ PHE 14 1.254 2.998 1.947 80 H HIS 15 H HIS 15 -4.295 1.280 6.934 81 HA HIS 15 HA HIS 15 -4.356 -0.131 9.489 82 HB2 HIS 15 1HB HIS 15 -5.993 1.133 10.481 83 HB3 HIS 15 2HB HIS 15 -5.178 2.395 9.562 84 HD1 HIS 15 1HD HIS 15 -8.041 -0.039 8.909 85 HD2 HIS 15 2HD HIS 15 -6.948 3.908 8.208 86 HE1 HIS 15 1HE HIS 15 -9.992 0.995 7.705 87 H LEU 16 H LEU 16 -5.427 -1.995 9.331 88 HA LEU 16 HA LEU 16 -6.567 -2.814 6.864 89 HB2 LEU 16 1HB LEU 16 -6.476 -4.045 9.602 90 HB3 LEU 16 2HB LEU 16 -7.299 -4.823 8.252 91 HG LEU 16 HG LEU 16 -4.357 -4.161 8.376 92 HD11 LEU 16 1HD1 LEU 16 -4.335 -5.995 9.672 93 HD12 LEU 16 2HD1 LEU 16 -4.539 -6.850 8.144 94 HD13 LEU 16 3HD1 LEU 16 -5.942 -6.508 9.156 95 HD21 LEU 16 1HD2 LEU 16 -4.314 -5.648 6.335 96 HD22 LEU 16 2HD2 LEU 16 -5.024 -4.049 6.110 97 HD23 LEU 16 3HD2 LEU 16 -6.067 -5.463 6.271 98 H ALA 17 H ALA 17 -8.651 -2.977 6.212 99 HA ALA 17 HA ALA 17 -10.641 -1.582 7.822 100 HB1 ALA 17 1HB ALA 17 -10.279 -1.053 5.397 101 HB2 ALA 17 2HB ALA 17 -10.962 -2.635 5.020 102 HB3 ALA 17 3HB ALA 17 -11.946 -1.423 5.840 103 HA PRO 18 HA PRO 18 -12.644 -5.248 9.213 104 HB2 PRO 18 1HB PRO 18 -15.124 -4.240 9.666 105 HB3 PRO 18 2HB PRO 18 -13.742 -3.898 10.714 106 HG2 PRO 18 1HG PRO 18 -14.929 -2.221 8.537 107 HG3 PRO 18 2HG PRO 18 -14.365 -1.731 10.146 108 HD2 PRO 18 1HD PRO 18 -12.882 -1.369 7.910 109 HD3 PRO 18 2HD PRO 18 -12.154 -1.691 9.497 110 H ALA 19 H ALA 19 -14.341 -6.744 8.667 111 HA ALA 19 HA ALA 19 -14.777 -6.956 5.860 112 HB1 ALA 19 1HB ALA 19 -14.897 -9.087 6.466 113 HB2 ALA 19 2HB ALA 19 -15.050 -8.641 8.166 114 HB3 ALA 19 3HB ALA 19 -16.488 -8.760 7.153 115 H ARG 20 H ARG 20 -16.203 -5.747 4.800 116 HA ARG 20 HA ARG 20 -18.839 -5.293 6.036 117 HB2 ARG 20 1HB ARG 20 -18.930 -3.141 4.817 118 HB3 ARG 20 2HB ARG 20 -17.623 -3.200 5.991 119 HG2 ARG 20 1HG ARG 20 -17.011 -3.971 3.192 120 HG3 ARG 20 2HG ARG 20 -17.271 -2.262 3.551 121 HD2 ARG 20 1HD ARG 20 -15.616 -2.735 5.521 122 HD3 ARG 20 2HD ARG 20 -15.136 -4.108 4.525 123 HE ARG 20 HE ARG 20 -14.497 -1.367 4.081 124 HH11 ARG 20 2HH1 ARG 20 -15.151 -4.383 2.471 125 HH12 ARG 20 1HH1 ARG 20 -14.235 -3.977 1.057 126 HH21 ARG 20 2HH2 ARG 20 -13.288 -0.821 2.226 127 HH22 ARG 20 1HH2 ARG 20 -13.175 -1.951 0.919 128 H ALA 21 H ALA 21 -17.061 -6.440 3.362 129 HA ALA 21 HA ALA 21 -19.408 -6.436 1.609 130 HB1 ALA 21 1HB ALA 21 -17.952 -6.160 -0.040 131 HB2 ALA 21 2HB ALA 21 -16.642 -6.149 1.141 132 HB3 ALA 21 3HB ALA 21 -17.139 -7.665 0.391 133 H GLY 22 H GLY 22 -16.978 -8.692 2.913 134 HA2 GLY 22 1HA GLY 22 -18.502 -10.720 3.768 135 HA3 GLY 22 2HA GLY 22 -18.544 -10.975 2.030 136 H HIS 23 H HIS 23 -16.067 -10.502 1.173 137 HA HIS 23 HA HIS 23 -14.650 -12.795 1.688 138 HB2 HIS 23 1HB HIS 23 -14.322 -10.812 -0.063 139 HB3 HIS 23 2HB HIS 23 -13.067 -10.346 1.081 140 HD1 HIS 23 1HD HIS 23 -11.959 -13.112 1.811 141 HD2 HIS 23 2HD HIS 23 -12.851 -11.915 -2.066 142 HE1 HIS 23 1HE HIS 23 -10.563 -14.577 0.318 143 H HIS 24 H HIS 24 -13.131 -13.462 3.124 144 HA HIS 24 HA HIS 24 -13.057 -12.741 5.699 145 HB2 HIS 24 1HB HIS 24 -11.195 -14.052 5.938 146 HB3 HIS 24 2HB HIS 24 -11.654 -14.526 4.305 147 HD1 HIS 24 1HD HIS 24 -8.777 -13.648 6.120 148 HD2 HIS 24 2HD HIS 24 -10.222 -12.617 2.364 149 HE1 HIS 24 1HE HIS 24 -6.778 -12.828 4.833 150 HA PRO 25 HA PRO 25 -11.281 -8.765 6.243 151 HB2 PRO 25 1HB PRO 25 -10.001 -9.070 8.618 152 HB3 PRO 25 2HB PRO 25 -11.761 -8.984 8.479 153 HG2 PRO 25 1HG PRO 25 -9.997 -11.387 8.757 154 HG3 PRO 25 2HG PRO 25 -11.538 -11.032 9.559 155 HD2 PRO 25 1HD PRO 25 -11.355 -12.689 7.425 156 HD3 PRO 25 2HD PRO 25 -12.784 -11.681 7.731 157 H ASN 26 H ASN 26 -9.154 -7.651 6.794 158 HA ASN 26 HA ASN 26 -6.966 -7.248 6.323 159 HB2 ASN 26 1HB ASN 26 -6.699 -10.254 6.564 160 HB3 ASN 26 2HB ASN 26 -5.362 -9.108 6.543 161 HD21 ASN 26 1HD2 ASN 26 -4.877 -10.179 8.599 162 HD22 ASN 26 2HD2 ASN 26 -5.634 -9.586 10.035 163 H GLN 27 H GLN 27 -8.679 -7.317 4.173 164 HA GLN 27 HA GLN 27 -7.339 -8.840 2.072 165 HB2 GLN 27 1HB GLN 27 -9.203 -8.015 0.637 166 HB3 GLN 27 2HB GLN 27 -9.740 -8.952 2.025 167 HG2 GLN 27 1HG GLN 27 -10.353 -6.936 3.200 168 HG3 GLN 27 2HG GLN 27 -9.715 -5.946 1.888 169 HE21 GLN 27 1HE2 GLN 27 -12.193 -8.281 2.749 170 HE22 GLN 27 2HE2 GLN 27 -13.327 -7.805 1.535 171 H TYR 28 H TYR 28 -8.030 -5.508 3.013 172 HA TYR 28 HA TYR 28 -5.858 -4.630 1.253 173 HB2 TYR 28 1HB TYR 28 -8.677 -3.583 1.276 174 HB3 TYR 28 2HB TYR 28 -7.336 -2.558 0.777 175 HD1 TYR 28 2HD TYR 28 -8.788 -5.929 0.076 176 HD2 TYR 28 1HD TYR 28 -6.738 -2.531 -1.457 177 HE1 TYR 28 2HE TYR 28 -8.909 -6.884 -2.187 178 HE2 TYR 28 1HE TYR 28 -6.855 -3.476 -3.725 179 HH TYR 28 HH TYR 28 -7.443 -6.580 -4.395 180 H ALA 29 H ALA 29 -4.776 -2.760 1.932 181 HA ALA 29 HA ALA 29 -5.242 -2.078 4.753 182 HB1 ALA 29 1HB ALA 29 -2.768 -1.885 3.046 183 HB2 ALA 29 2HB ALA 29 -2.886 -1.234 4.681 184 HB3 ALA 29 3HB ALA 29 -3.058 -2.968 4.408 185 H THR 30 H THR 30 -5.763 -0.061 5.355 186 HA THR 30 HA THR 30 -6.127 1.931 3.243 187 HB THR 30 HB THR 30 -7.081 2.123 6.101 188 HG1 THR 30 1HG THR 30 -8.289 0.470 5.477 189 HG21 THR 30 1HG2 THR 30 -8.665 3.359 3.994 190 HG22 THR 30 2HG2 THR 30 -7.023 3.997 4.070 191 HG23 THR 30 3HG2 THR 30 -8.056 4.047 5.499 192 H CYS 31 H CYS 31 -4.451 3.238 2.916 193 HA CYS 31 HA CYS 31 -2.348 3.706 4.690 194 HB2 CYS 31 1HB CYS 31 -2.441 4.141 2.170 195 HB3 CYS 31 2HB CYS 31 -3.218 5.668 2.573 196 H ARG 32 H ARG 32 -2.255 4.828 6.511 197 HA ARG 32 HA ARG 32 -4.426 6.573 7.272 198 HB2 ARG 32 1HB ARG 32 -1.872 5.894 8.744 199 HB3 ARG 32 2HB ARG 32 -3.263 6.729 9.424 200 HG2 ARG 32 1HG ARG 32 -4.630 4.751 9.138 201 HG3 ARG 32 2HG ARG 32 -3.285 3.911 8.364 202 HD2 ARG 32 1HD ARG 32 -3.478 3.225 10.681 203 HD3 ARG 32 2HD ARG 32 -1.981 4.124 10.434 204 HE ARG 32 HE ARG 32 -3.504 6.074 11.295 205 HH11 ARG 32 2HH1 ARG 32 -3.369 2.786 12.429 206 HH12 ARG 32 1HH1 ARG 32 -3.826 3.188 14.051 207 HH21 ARG 32 2HH2 ARG 32 -4.106 6.617 13.428 208 HH22 ARG 32 1HH2 ARG 32 -4.246 5.368 14.618 209 H LEU 33 H LEU 33 -1.921 7.062 5.307 210 HA LEU 33 HA LEU 33 -1.165 9.691 6.342 211 HB2 LEU 33 1HB LEU 33 -0.072 7.881 4.226 212 HB3 LEU 33 2HB LEU 33 0.343 9.594 4.232 213 HG LEU 33 HG LEU 33 0.876 7.687 6.509 214 HD11 LEU 33 1HD1 LEU 33 2.790 7.097 5.550 215 HD12 LEU 33 2HD1 LEU 33 3.190 8.771 5.163 216 HD13 LEU 33 3HD1 LEU 33 2.186 7.827 4.062 217 HD21 LEU 33 1HD2 LEU 33 1.796 10.517 6.013 218 HD22 LEU 33 2HD2 LEU 33 2.272 9.494 7.368 219 HD23 LEU 33 3HD2 LEU 33 0.595 10.014 7.202 220 H CYS 34 H CYS 34 -2.505 8.200 3.409 221 HA CYS 34 HA CYS 34 -3.654 10.823 2.715 222 HB2 CYS 34 1HB CYS 34 -3.398 10.288 0.361 223 HB3 CYS 34 2HB CYS 34 -1.836 10.164 1.164 224 H GLY 35 H GLY 35 -4.062 7.340 2.808 225 HA2 GLY 35 1HA GLY 35 -6.233 6.466 3.442 226 HA3 GLY 35 2HA GLY 35 -6.967 7.760 2.507 227 H ARG 36 H ARG 36 -4.243 6.234 1.095 228 HA ARG 36 HA ARG 36 -5.858 5.234 -1.064 229 HB2 ARG 36 1HB ARG 36 -2.936 5.464 -0.505 230 HB3 ARG 36 2HB ARG 36 -3.462 4.321 -1.733 231 HG2 ARG 36 1HG ARG 36 -4.540 7.079 -1.870 232 HG3 ARG 36 2HG ARG 36 -2.849 6.827 -2.308 233 HD2 ARG 36 1HD ARG 36 -4.885 4.985 -3.446 234 HD3 ARG 36 2HD ARG 36 -4.804 6.626 -4.084 235 HE ARG 36 HE ARG 36 -2.878 4.516 -4.459 236 HH11 ARG 36 2HH1 ARG 36 -3.436 7.952 -4.505 237 HH12 ARG 36 1HH1 ARG 36 -2.114 8.285 -5.574 238 HH21 ARG 36 2HH2 ARG 36 -1.135 4.941 -5.867 239 HH22 ARG 36 1HH2 ARG 36 -0.806 6.571 -6.349 240 H GLN 37 H GLN 37 -6.301 3.139 -1.593 241 HA GLN 37 HA GLN 37 -6.039 1.195 0.539 242 HB2 GLN 37 1HB GLN 37 -7.368 0.940 -2.164 243 HB3 GLN 37 2HB GLN 37 -7.507 -0.202 -0.834 244 HG2 GLN 37 1HG GLN 37 -8.475 1.709 0.517 245 HG3 GLN 37 2HG GLN 37 -8.591 2.590 -1.005 246 HE21 GLN 37 1HE2 GLN 37 -10.886 2.337 0.130 247 HE22 GLN 37 2HE2 GLN 37 -11.854 1.081 -0.555 248 H VAL 38 H VAL 38 -4.234 0.047 0.699 249 HA VAL 38 HA VAL 38 -2.895 -0.822 -1.780 250 HB VAL 38 HB VAL 38 -1.674 -0.430 0.956 251 HG11 VAL 38 1HG1 VAL 38 0.354 -0.576 -0.908 252 HG12 VAL 38 2HG1 VAL 38 -0.126 -1.855 0.208 253 HG13 VAL 38 3HG1 VAL 38 -0.776 -1.824 -1.432 254 HG21 VAL 38 1HG2 VAL 38 -1.119 1.162 -1.535 255 HG22 VAL 38 2HG2 VAL 38 -2.334 1.643 -0.350 256 HG23 VAL 38 3HG2 VAL 38 -0.639 1.522 0.124 257 H SER 39 H SER 39 -3.085 -2.908 -2.217 258 HA SER 39 HA SER 39 -3.748 -4.766 -0.048 259 HB2 SER 39 1HB SER 39 -4.386 -6.319 -1.895 260 HB3 SER 39 2HB SER 39 -5.296 -4.809 -1.914 261 HG SER 39 HG SER 39 -4.379 -4.269 -3.745 262 H ARG 40 H ARG 40 -2.185 -5.962 0.788 263 HA ARG 40 HA ARG 40 0.450 -6.011 0.035 264 HB2 ARG 40 1HB ARG 40 -1.031 -8.300 1.342 265 HB3 ARG 40 2HB ARG 40 0.701 -8.002 1.413 266 HG2 ARG 40 1HG ARG 40 0.338 -5.974 2.675 267 HG3 ARG 40 2HG ARG 40 -1.410 -6.169 2.531 268 HD2 ARG 40 1HD ARG 40 0.321 -8.276 3.787 269 HD3 ARG 40 2HD ARG 40 -0.298 -6.912 4.716 270 HE ARG 40 HE ARG 40 -2.537 -7.859 3.621 271 HH11 ARG 40 2HH1 ARG 40 0.086 -9.488 5.228 272 HH12 ARG 40 1HH1 ARG 40 -0.909 -10.767 5.839 273 HH21 ARG 40 2HH2 ARG 40 -3.859 -9.538 4.419 274 HH22 ARG 40 1HH2 ARG 40 -3.153 -10.795 5.378 275 H GLY 41 H GLY 41 -1.626 -8.877 -0.410 276 HA2 GLY 41 1HA GLY 41 -1.950 -9.934 -2.546 277 HA3 GLY 41 2HA GLY 41 -0.425 -9.238 -3.074 278 HA PRO 42 HA PRO 42 0.191 -13.699 -1.802 279 HB2 PRO 42 1HB PRO 42 1.274 -14.506 -4.157 280 HB3 PRO 42 2HB PRO 42 -0.466 -14.527 -3.843 281 HG2 PRO 42 1HG PRO 42 1.166 -12.508 -5.334 282 HG3 PRO 42 2HG PRO 42 -0.414 -13.197 -5.750 283 HD2 PRO 42 1HD PRO 42 -0.143 -10.748 -4.627 284 HD3 PRO 42 2HD PRO 42 -1.545 -11.791 -4.316 285 H GLY 43 H GLY 43 2.323 -11.836 -3.986 286 HA2 GLY 43 1HA GLY 43 4.665 -12.870 -2.592 287 HA3 GLY 43 2HA GLY 43 4.668 -11.889 -4.051 288 H VAL 44 H VAL 44 4.125 -11.765 -0.556 289 HA VAL 44 HA VAL 44 5.053 -8.968 -0.609 290 HB VAL 44 HB VAL 44 3.601 -8.420 1.233 291 HG11 VAL 44 1HG1 VAL 44 2.204 -7.914 -0.432 292 HG12 VAL 44 2HG1 VAL 44 2.580 -9.399 -1.308 293 HG13 VAL 44 3HG1 VAL 44 1.361 -9.410 -0.033 294 HG21 VAL 44 1HG2 VAL 44 3.690 -11.058 1.879 295 HG22 VAL 44 2HG2 VAL 44 2.552 -9.898 2.563 296 HG23 VAL 44 3HG2 VAL 44 2.063 -10.919 1.211 297 H ASN 45 H ASN 45 5.683 -12.069 0.401 298 HA ASN 45 HA ASN 45 7.025 -11.291 2.874 299 HB2 ASN 45 1HB ASN 45 6.647 -14.001 1.581 300 HB3 ASN 45 2HB ASN 45 7.450 -13.728 3.125 301 HD21 ASN 45 1HD2 ASN 45 4.414 -13.645 1.416 302 HD22 ASN 45 2HD2 ASN 45 3.402 -13.627 2.816 303 H VAL 46 H VAL 46 8.192 -10.042 0.786 304 HA VAL 46 HA VAL 46 10.617 -11.611 0.207 305 HB VAL 46 HB VAL 46 11.035 -9.988 -1.618 306 HG11 VAL 46 1HG1 VAL 46 9.981 -11.408 -2.964 307 HG12 VAL 46 2HG1 VAL 46 9.190 -12.086 -1.539 308 HG13 VAL 46 3HG1 VAL 46 8.405 -10.800 -2.458 309 HG21 VAL 46 1HG2 VAL 46 9.777 -8.163 -2.004 310 HG22 VAL 46 2HG2 VAL 46 8.271 -8.991 -1.608 311 HG23 VAL 46 3HG2 VAL 46 9.296 -8.360 -0.318 312 H GLY 47 H GLY 47 9.421 -9.105 2.099 313 HA2 GLY 47 1HA GLY 47 11.123 -8.376 3.795 314 HA3 GLY 47 2HA GLY 47 12.125 -7.954 2.413 315 H THR 48 H THR 48 10.392 -6.684 0.750 316 HA THR 48 HA THR 48 9.917 -4.213 2.216 317 HB THR 48 HB THR 48 9.651 -4.689 -0.757 318 HG1 THR 48 1HG THR 48 11.761 -4.857 -0.654 319 HG21 THR 48 1HG2 THR 48 9.011 -2.482 0.894 320 HG22 THR 48 2HG2 THR 48 9.001 -2.562 -0.867 321 HG23 THR 48 3HG2 THR 48 10.458 -2.051 -0.016 322 H THR 49 H THR 49 8.014 -4.351 3.298 323 HA THR 49 HA THR 49 5.697 -5.659 2.461 324 HB THR 49 HB THR 49 5.615 -3.175 4.159 325 HG1 THR 49 1HG THR 49 7.073 -5.412 4.600 326 HG21 THR 49 1HG2 THR 49 3.469 -4.156 3.682 327 HG22 THR 49 2HG2 THR 49 3.884 -4.508 5.359 328 HG23 THR 49 3HG2 THR 49 4.054 -5.758 4.127 329 H ALA 50 H ALA 50 4.233 -5.221 0.950 330 HA ALA 50 HA ALA 50 4.337 -3.451 -1.041 331 HB1 ALA 50 1HB ALA 50 1.595 -3.472 -0.354 332 HB2 ALA 50 2HB ALA 50 2.432 -4.466 -1.547 333 HB3 ALA 50 3HB ALA 50 2.270 -5.033 0.115 334 H LEU 51 H LEU 51 3.230 -2.715 2.210 335 HA LEU 51 HA LEU 51 2.069 -0.226 1.792 336 HB2 LEU 51 1HB LEU 51 3.751 -0.988 4.170 337 HB3 LEU 51 2HB LEU 51 2.464 0.215 4.115 338 HG LEU 51 HG LEU 51 2.041 -2.750 3.754 339 HD11 LEU 51 1HD1 LEU 51 2.597 -1.301 6.119 340 HD12 LEU 51 2HD1 LEU 51 2.105 -2.986 5.954 341 HD13 LEU 51 3HD1 LEU 51 0.886 -1.726 6.141 342 HD21 LEU 51 1HD2 LEU 51 0.400 -0.465 3.272 343 HD22 LEU 51 2HD2 LEU 51 -0.266 -1.378 4.625 344 HD23 LEU 51 3HD2 LEU 51 0.010 -2.174 3.075 345 H TRP 52 H TRP 52 5.464 -1.002 2.515 346 HA TRP 52 HA TRP 52 6.486 1.571 2.591 347 HB2 TRP 52 1HB TRP 52 7.725 -1.027 1.688 348 HB3 TRP 52 2HB TRP 52 8.644 0.473 1.783 349 HD1 TRP 52 HD TRP 52 7.519 -2.404 3.860 350 HE1 TRP 52 1HE TRP 52 8.164 -2.026 6.322 351 HE3 TRP 52 3HE TRP 52 8.829 2.531 3.606 352 HZ2 TRP 52 2HZ TRP 52 9.103 0.086 7.943 353 HZ3 TRP 52 3HZ TRP 52 9.590 3.656 5.658 354 HH2 TRP 52 HH TRP 52 9.723 2.457 7.781 355 H LYS 53 H LYS 53 6.203 -0.588 -0.225 356 HA LYS 53 HA LYS 53 7.328 0.949 -2.182 357 HB2 LYS 53 1HB LYS 53 4.932 -0.868 -2.245 358 HB3 LYS 53 2HB LYS 53 5.505 -0.064 -3.701 359 HG2 LYS 53 1HG LYS 53 7.728 -1.115 -3.331 360 HG3 LYS 53 2HG LYS 53 7.023 -2.019 -1.989 361 HD2 LYS 53 1HD LYS 53 5.645 -2.129 -4.621 362 HD3 LYS 53 2HD LYS 53 7.157 -3.022 -4.441 363 HE2 LYS 53 1HE LYS 53 5.998 -3.840 -2.214 364 HE3 LYS 53 2HE LYS 53 4.530 -3.428 -3.100 365 HZ1 LYS 53 1HZ LYS 53 4.757 -5.189 -4.429 366 HZ2 LYS 53 2HZ LYS 53 5.840 -5.781 -3.272 367 HZ3 LYS 53 3HZ LYS 53 6.421 -4.964 -4.634 368 H HIS 54 H HIS 54 4.060 1.247 -0.859 369 HA HIS 54 HA HIS 54 3.282 3.351 -2.626 370 HB2 HIS 54 1HB HIS 54 1.602 1.922 -1.593 371 HB3 HIS 54 2HB HIS 54 2.106 2.446 0.011 372 HD1 HIS 54 1HD HIS 54 0.509 3.856 -3.124 373 HD2 HIS 54 2HD HIS 54 0.820 4.663 0.940 374 HE1 HIS 54 1HE HIS 54 -1.059 5.775 -2.698 375 H LEU 55 H LEU 55 4.512 3.213 0.687 376 HA LEU 55 HA LEU 55 4.230 5.919 1.335 377 HB2 LEU 55 1HB LEU 55 6.297 3.923 2.245 378 HB3 LEU 55 2HB LEU 55 6.034 5.501 2.986 379 HG LEU 55 HG LEU 55 3.893 3.389 2.844 380 HD11 LEU 55 1HD1 LEU 55 6.244 3.109 4.243 381 HD12 LEU 55 2HD1 LEU 55 4.717 2.307 4.609 382 HD13 LEU 55 3HD1 LEU 55 5.145 3.804 5.436 383 HD21 LEU 55 1HD2 LEU 55 3.446 5.907 3.265 384 HD22 LEU 55 2HD2 LEU 55 4.139 5.591 4.856 385 HD23 LEU 55 3HD2 LEU 55 2.704 4.711 4.327 386 H LYS 56 H LYS 56 7.001 4.187 -0.068 387 HA LYS 56 HA LYS 56 8.544 6.586 -0.387 388 HB2 LYS 56 1HB LYS 56 8.997 3.893 -1.680 389 HB3 LYS 56 2HB LYS 56 10.179 5.178 -1.470 390 HG2 LYS 56 1HG LYS 56 10.516 4.703 0.728 391 HG3 LYS 56 2HG LYS 56 8.875 4.097 0.963 392 HD2 LYS 56 1HD LYS 56 9.388 2.013 0.028 393 HD3 LYS 56 2HD LYS 56 10.858 2.620 -0.739 394 HE2 LYS 56 1HE LYS 56 12.005 2.724 1.323 395 HE3 LYS 56 2HE LYS 56 10.517 2.524 2.247 396 HZ1 LYS 56 1HZ LYS 56 10.897 0.359 2.260 397 HZ2 LYS 56 2HZ LYS 56 12.267 0.541 1.286 398 HZ3 LYS 56 3HZ LYS 56 10.749 0.316 0.575 399 H SER 57 H SER 57 5.968 5.260 -2.060 400 HA SER 57 HA SER 57 6.777 6.087 -4.707 401 HB2 SER 57 1HB SER 57 5.338 4.165 -4.567 402 HB3 SER 57 2HB SER 57 4.157 5.053 -3.605 403 HG SER 57 HG SER 57 3.514 6.141 -5.362 404 H MET 58 H MET 58 4.665 7.265 -2.140 405 HA MET 58 HA MET 58 4.477 9.826 -3.579 406 HB2 MET 58 1HB MET 58 2.213 10.122 -2.875 407 HB3 MET 58 2HB MET 58 2.327 8.528 -3.609 408 HG2 MET 58 1HG MET 58 2.088 7.434 -1.594 409 HG3 MET 58 2HG MET 58 2.623 8.827 -0.657 410 HE1 MET 58 1HE MET 58 0.380 9.175 -3.607 411 HE2 MET 58 2HE MET 58 -0.562 7.778 -3.087 412 HE3 MET 58 3HE MET 58 -1.251 9.398 -2.975 413 H HIS 59 H HIS 59 4.694 8.130 -0.523 414 HA HIS 59 HA HIS 59 4.986 10.650 0.931 415 HB2 HIS 59 1HB HIS 59 4.918 7.814 1.984 416 HB3 HIS 59 2HB HIS 59 4.892 9.282 2.956 417 HD1 HIS 59 1HD HIS 59 2.710 10.901 2.310 418 HD2 HIS 59 2HD HIS 59 2.449 6.830 1.522 419 HE1 HIS 59 1HE HIS 59 0.252 10.414 2.096 420 H ARG 60 H ARG 60 7.002 9.608 -0.978 421 HA ARG 60 HA ARG 60 9.212 8.467 0.235 422 HB2 ARG 60 1HB ARG 60 9.184 8.737 -2.139 423 HB3 ARG 60 2HB ARG 60 9.026 10.483 -2.001 424 HG2 ARG 60 1HG ARG 60 11.334 10.208 -0.722 425 HG3 ARG 60 2HG ARG 60 11.421 8.765 -1.734 426 HD2 ARG 60 1HD ARG 60 10.887 11.549 -2.760 427 HD3 ARG 60 2HD ARG 60 12.469 10.772 -2.757 428 HE ARG 60 HE ARG 60 10.226 10.167 -4.500 429 HH11 ARG 60 2HH1 ARG 60 13.370 9.251 -3.319 430 HH12 ARG 60 1HH1 ARG 60 13.720 8.222 -4.667 431 HH21 ARG 60 2HH2 ARG 60 10.675 8.814 -6.280 432 HH22 ARG 60 1HH2 ARG 60 12.187 7.974 -6.352 433 H GLU 61 H GLU 61 8.062 11.771 0.352 434 HA GLU 61 HA GLU 61 10.437 12.854 1.521 435 HB2 GLU 61 1HB GLU 61 7.619 13.883 1.239 436 HB3 GLU 61 2HB GLU 61 8.869 14.793 2.075 437 HG2 GLU 61 1HG GLU 61 10.189 14.925 0.076 438 HG3 GLU 61 2HG GLU 61 9.070 13.866 -0.779 439 H GLU 62 H GLU 62 7.262 11.890 2.789 440 HA GLU 62 HA GLU 62 7.612 12.607 5.443 441 HB2 GLU 62 1HB GLU 62 5.959 10.588 4.019 442 HB3 GLU 62 2HB GLU 62 6.116 10.411 5.761 443 HG2 GLU 62 1HG GLU 62 4.143 11.665 5.306 444 HG3 GLU 62 2HG GLU 62 5.336 12.751 6.016 445 H LEU 63 H LEU 63 8.225 9.404 3.995 446 HA LEU 63 HA LEU 63 9.247 8.106 6.189 447 HB2 LEU 63 1HB LEU 63 10.192 7.873 3.336 448 HB3 LEU 63 2HB LEU 63 10.500 6.698 4.613 449 HG LEU 63 HG LEU 63 7.794 7.397 3.474 450 HD11 LEU 63 1HD1 LEU 63 8.410 4.692 3.100 451 HD12 LEU 63 2HD1 LEU 63 9.845 5.589 2.604 452 HD13 LEU 63 3HD1 LEU 63 8.282 5.949 1.869 453 HD21 LEU 63 1HD2 LEU 63 8.688 5.613 5.706 454 HD22 LEU 63 2HD2 LEU 63 7.233 5.236 4.782 455 HD23 LEU 63 3HD2 LEU 63 7.350 6.762 5.660 456 H GLU 64 H GLU 64 11.208 9.775 3.715 457 HA GLU 64 HA GLU 64 13.660 9.563 5.002 458 HB2 GLU 64 1HB GLU 64 12.638 11.732 3.163 459 HB3 GLU 64 2HB GLU 64 14.319 11.562 3.647 460 HG2 GLU 64 1HG GLU 64 14.233 9.235 2.674 461 HG3 GLU 64 2HG GLU 64 12.677 9.684 1.978 462 H LYS 65 H LYS 65 11.133 12.004 5.341 463 HA LYS 65 HA LYS 65 12.510 13.852 6.910 464 HB2 LYS 65 1HB LYS 65 10.269 14.216 5.892 465 HB3 LYS 65 2HB LYS 65 9.578 13.138 7.098 466 HG2 LYS 65 1HG LYS 65 10.175 14.644 8.869 467 HG3 LYS 65 2HG LYS 65 11.050 15.684 7.742 468 HD2 LYS 65 1HD LYS 65 8.994 16.761 8.044 469 HD3 LYS 65 2HD LYS 65 8.814 15.909 6.509 470 HE2 LYS 65 1HE LYS 65 6.819 15.543 7.744 471 HE3 LYS 65 2HE LYS 65 7.736 14.038 7.791 472 HZ1 LYS 65 1HZ LYS 65 8.537 15.529 9.985 473 HZ2 LYS 65 2HZ LYS 65 7.600 14.121 9.986 474 HZ3 LYS 65 3HZ LYS 65 6.849 15.636 9.942 475 H SER 66 H SER 66 10.568 11.046 7.900 476 HA SER 66 HA SER 66 11.000 11.436 10.686 477 HB2 SER 66 1HB SER 66 9.988 9.119 9.045 478 HB3 SER 66 2HB SER 66 10.208 8.989 10.789 479 HG SER 66 HG SER 66 8.074 9.761 9.785 480 H GLY 67 H GLY 67 11.830 9.190 11.825 481 HA2 GLY 67 1HA GLY 67 14.667 9.209 11.270 482 HA3 GLY 67 2HA GLY 67 13.865 8.369 12.589 483 H HIS 68 H HIS 68 13.355 8.135 9.083 484 HA HIS 68 HA HIS 68 13.870 5.247 9.303 485 HB2 HIS 68 1HB HIS 68 12.194 6.839 7.360 486 HB3 HIS 68 2HB HIS 68 12.585 5.139 7.117 487 HD1 HIS 68 1HD HIS 68 10.046 4.565 7.281 488 HD2 HIS 68 2HD HIS 68 11.675 6.213 10.729 489 HE1 HIS 68 1HE HIS 68 8.353 4.142 9.092 490 H GLY 69 H GLY 69 16.167 5.579 9.143 491 HA2 GLY 69 1HA GLY 69 17.153 6.615 6.590 492 HA3 GLY 69 2HA GLY 69 18.131 6.224 7.996 493 H GLN 70 H GLN 70 17.348 5.271 4.934 494 HA GLN 70 HA GLN 70 17.623 3.368 3.710 495 HB2 GLN 70 1HB GLN 70 19.726 3.119 5.842 496 HB3 GLN 70 2HB GLN 70 19.542 1.880 4.607 497 HG2 GLN 70 1HG GLN 70 20.308 4.758 4.260 498 HG3 GLN 70 2HG GLN 70 21.226 3.315 3.832 499 HE21 GLN 70 1HE2 GLN 70 20.244 1.926 2.147 500 HE22 GLN 70 2HE2 GLN 70 19.426 2.702 0.838 501 H SER 71 H SER 71 15.449 3.218 5.410 502 HA SER 71 HA SER 71 15.264 1.087 7.147 503 HB2 SER 71 1HB SER 71 13.395 2.540 6.981 504 HB3 SER 71 2HB SER 71 13.237 2.265 5.246 505 HG SER 71 HG SER 71 13.038 0.041 6.906 506 H GLY 72 H GLY 72 16.065 -0.884 6.754 507 HA2 GLY 72 1HA GLY 72 15.925 -3.049 5.897 508 HA3 GLY 72 2HA GLY 72 14.883 -2.449 4.616 509 HA PRO 73 HA PRO 73 19.438 -1.513 3.252 510 HB2 PRO 73 1HB PRO 73 21.392 -2.704 4.712 511 HB3 PRO 73 2HB PRO 73 20.770 -1.089 5.075 512 HG2 PRO 73 1HG PRO 73 20.087 -3.711 6.348 513 HG3 PRO 73 2HG PRO 73 20.383 -2.139 7.113 514 HD2 PRO 73 1HD PRO 73 17.890 -3.110 6.695 515 HD3 PRO 73 2HD PRO 73 18.259 -1.373 6.652 516 H SER 74 H SER 74 19.020 -4.674 4.831 517 HA SER 74 HA SER 74 20.324 -6.052 2.650 518 HB2 SER 74 1HB SER 74 19.696 -8.108 3.960 519 HB3 SER 74 2HB SER 74 20.679 -6.948 4.854 520 HG SER 74 HG SER 74 19.098 -7.300 6.252 521 H SER 75 H SER 75 18.205 -4.634 1.660 522 HA SER 75 HA SER 75 16.360 -6.787 0.878 523 HB2 SER 75 1HB SER 75 15.697 -4.021 1.832 524 HB3 SER 75 2HB SER 75 14.638 -4.822 0.671 525 HG SER 75 HG SER 75 14.342 -6.491 2.147 526 H GLY 76 H GLY 76 17.578 -3.543 0.070 527 HA2 GLY 76 1HA GLY 76 18.421 -2.811 -1.970 528 HA3 GLY 76 2HA GLY 76 17.996 -4.366 -2.672 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.728 -18.134 15.436 2 HA2 GLY 1 1HA GLY 1 2.857 -19.007 13.034 3 HA3 GLY 1 2HA GLY 1 1.978 -17.524 12.691 4 H SER 2 H SER 2 4.949 -18.648 13.296 5 HA SER 2 HA SER 2 5.972 -16.886 15.250 6 HB2 SER 2 1HB SER 2 7.455 -18.157 12.937 7 HB3 SER 2 2HB SER 2 8.172 -17.516 14.415 8 HG SER 2 HG SER 2 7.735 -19.333 15.359 9 H SER 3 H SER 3 7.878 -15.354 14.544 10 HA SER 3 HA SER 3 6.678 -13.413 12.709 11 HB2 SER 3 1HB SER 3 8.726 -13.191 14.907 12 HB3 SER 3 2HB SER 3 8.495 -11.896 13.732 13 HG SER 3 HG SER 3 6.712 -11.357 14.705 14 H GLY 4 H GLY 4 7.709 -12.633 10.914 15 HA2 GLY 4 1HA GLY 4 10.356 -13.774 10.288 16 HA3 GLY 4 2HA GLY 4 9.047 -13.856 9.118 17 H SER 5 H SER 5 8.057 -11.696 8.544 18 HA SER 5 HA SER 5 9.776 -10.074 7.239 19 HB2 SER 5 1HB SER 5 8.055 -8.286 7.363 20 HB3 SER 5 2HB SER 5 7.364 -9.863 6.982 21 HG SER 5 HG SER 5 7.430 -8.669 9.558 22 H SER 6 H SER 6 11.276 -8.599 7.705 23 HA SER 6 HA SER 6 11.531 -7.740 10.507 24 HB2 SER 6 1HB SER 6 13.502 -8.359 8.361 25 HB3 SER 6 2HB SER 6 13.927 -7.098 9.518 26 HG SER 6 HG SER 6 12.894 -9.246 10.782 27 H GLY 7 H GLY 7 9.673 -6.413 8.910 28 HA2 GLY 7 1HA GLY 7 10.579 -3.720 9.188 29 HA3 GLY 7 2HA GLY 7 10.489 -4.190 7.498 30 H SER 8 H SER 8 8.443 -4.746 10.366 31 HA SER 8 HA SER 8 6.090 -4.177 8.733 32 HB2 SER 8 1HB SER 8 4.841 -5.003 10.759 33 HB3 SER 8 2HB SER 8 5.927 -6.190 10.037 34 HG SER 8 HG SER 8 6.035 -5.977 12.384 35 H GLU 9 H GLU 9 7.721 -1.965 9.296 36 HA GLU 9 HA GLU 9 6.445 -0.510 11.468 37 HB2 GLU 9 1HB GLU 9 8.974 -0.451 10.687 38 HB3 GLU 9 2HB GLU 9 8.369 0.777 9.584 39 HG2 GLU 9 1HG GLU 9 7.818 2.232 11.293 40 HG3 GLU 9 2HG GLU 9 7.759 0.951 12.501 41 H ALA 10 H ALA 10 6.688 -0.389 7.942 42 HA ALA 10 HA ALA 10 5.403 1.959 7.365 43 HB1 ALA 10 1HB ALA 10 4.552 0.765 5.301 44 HB2 ALA 10 2HB ALA 10 6.294 0.707 5.574 45 HB3 ALA 10 3HB ALA 10 5.294 -0.695 5.956 46 H TRP 11 H TRP 11 4.047 -0.934 8.709 47 HA TRP 11 HA TRP 11 1.371 -0.714 8.059 48 HB2 TRP 11 1HB TRP 11 2.872 -1.847 10.364 49 HB3 TRP 11 2HB TRP 11 1.135 -1.629 10.561 50 HD1 TRP 11 HD TRP 11 3.462 -4.191 9.559 51 HE1 TRP 11 1HE TRP 11 2.346 -5.981 8.084 52 HE3 TRP 11 3HE TRP 11 -0.815 -1.677 8.325 53 HZ2 TRP 11 2HZ TRP 11 -0.031 -6.287 6.594 54 HZ3 TRP 11 3HZ TRP 11 -2.459 -2.789 6.870 55 HH2 TRP 11 HH TRP 11 -2.073 -5.046 6.023 56 H GLU 12 H GLU 12 3.248 1.129 10.369 57 HA GLU 12 HA GLU 12 1.211 2.281 11.872 58 HB2 GLU 12 1HB GLU 12 3.824 3.531 11.005 59 HB3 GLU 12 2HB GLU 12 2.799 4.119 12.306 60 HG2 GLU 12 1HG GLU 12 3.108 1.881 13.412 61 HG3 GLU 12 2HG GLU 12 4.339 1.543 12.196 62 H TYR 13 H TYR 13 2.036 2.750 8.583 63 HA TYR 13 HA TYR 13 0.461 5.226 8.448 64 HB2 TYR 13 1HB TYR 13 2.178 4.025 6.272 65 HB3 TYR 13 2HB TYR 13 1.494 5.646 6.320 66 HD1 TYR 13 2HD TYR 13 4.082 3.435 7.719 67 HD2 TYR 13 1HD TYR 13 2.549 7.401 7.572 68 HE1 TYR 13 2HE TYR 13 6.139 4.264 8.784 69 HE2 TYR 13 1HE TYR 13 4.602 8.241 8.635 70 HH TYR 13 HH TYR 13 6.451 7.577 9.849 71 H PHE 14 H PHE 14 -0.436 2.303 8.609 72 HA PHE 14 HA PHE 14 -2.520 2.563 6.606 73 HB2 PHE 14 1HB PHE 14 -0.656 0.183 6.694 74 HB3 PHE 14 2HB PHE 14 -2.182 0.210 5.816 75 HD1 PHE 14 1HD PHE 14 1.192 1.681 6.001 76 HD2 PHE 14 2HD PHE 14 -2.368 1.263 3.706 77 HE1 PHE 14 1HE PHE 14 2.338 2.651 4.052 78 HE2 PHE 14 2HE PHE 14 -1.228 2.232 1.754 79 HZ PHE 14 HZ PHE 14 1.129 2.927 1.925 80 H HIS 15 H HIS 15 -4.401 1.436 7.109 81 HA HIS 15 HA HIS 15 -4.397 -0.083 9.623 82 HB2 HIS 15 1HB HIS 15 -5.988 1.206 10.631 83 HB3 HIS 15 2HB HIS 15 -5.254 2.453 9.627 84 HD1 HIS 15 1HD HIS 15 -8.106 -0.054 9.299 85 HD2 HIS 15 2HD HIS 15 -7.088 3.821 8.198 86 HE1 HIS 15 1HE HIS 15 -10.129 0.864 8.120 87 H LEU 16 H LEU 16 -5.294 -2.011 9.361 88 HA LEU 16 HA LEU 16 -6.552 -2.791 6.949 89 HB2 LEU 16 1HB LEU 16 -6.315 -4.121 9.637 90 HB3 LEU 16 2HB LEU 16 -7.096 -4.886 8.255 91 HG LEU 16 HG LEU 16 -4.270 -3.918 8.046 92 HD11 LEU 16 1HD1 LEU 16 -4.775 -6.739 8.809 93 HD12 LEU 16 2HD1 LEU 16 -4.830 -5.520 10.083 94 HD13 LEU 16 3HD1 LEU 16 -3.371 -5.714 9.110 95 HD21 LEU 16 1HD2 LEU 16 -6.126 -5.298 6.385 96 HD22 LEU 16 2HD2 LEU 16 -4.785 -6.383 6.754 97 HD23 LEU 16 3HD2 LEU 16 -4.470 -4.808 6.025 98 H ALA 17 H ALA 17 -8.682 -3.208 6.465 99 HA ALA 17 HA ALA 17 -10.639 -1.936 8.242 100 HB1 ALA 17 1HB ALA 17 -10.797 -0.969 6.128 101 HB2 ALA 17 2HB ALA 17 -10.611 -2.516 5.301 102 HB3 ALA 17 3HB ALA 17 -12.112 -2.144 6.148 103 HA PRO 18 HA PRO 18 -12.600 -5.705 9.344 104 HB2 PRO 18 1HB PRO 18 -15.202 -4.939 9.474 105 HB3 PRO 18 2HB PRO 18 -13.997 -4.455 10.673 106 HG2 PRO 18 1HG PRO 18 -15.064 -2.920 8.335 107 HG3 PRO 18 2HG PRO 18 -14.750 -2.364 9.989 108 HD2 PRO 18 1HD PRO 18 -13.046 -1.880 7.941 109 HD3 PRO 18 2HD PRO 18 -12.490 -2.115 9.611 110 H ALA 19 H ALA 19 -13.277 -7.487 8.309 111 HA ALA 19 HA ALA 19 -14.270 -7.201 5.574 112 HB1 ALA 19 1HB ALA 19 -12.352 -8.648 5.874 113 HB2 ALA 19 2HB ALA 19 -13.238 -9.621 7.048 114 HB3 ALA 19 3HB ALA 19 -13.748 -9.597 5.360 115 H ARG 20 H ARG 20 -16.364 -7.367 5.154 116 HA ARG 20 HA ARG 20 -18.032 -9.036 6.916 117 HB2 ARG 20 1HB ARG 20 -19.881 -7.401 6.526 118 HB3 ARG 20 2HB ARG 20 -18.540 -6.756 7.462 119 HG2 ARG 20 1HG ARG 20 -18.570 -6.342 4.514 120 HG3 ARG 20 2HG ARG 20 -19.627 -5.364 5.535 121 HD2 ARG 20 1HD ARG 20 -16.676 -5.663 6.041 122 HD3 ARG 20 2HD ARG 20 -17.348 -4.391 5.023 123 HE ARG 20 HE ARG 20 -17.515 -4.590 7.910 124 HH11 ARG 20 2HH1 ARG 20 -18.673 -3.062 5.004 125 HH12 ARG 20 1HH1 ARG 20 -19.286 -1.666 5.828 126 HH21 ARG 20 2HH2 ARG 20 -18.318 -2.758 9.005 127 HH22 ARG 20 1HH2 ARG 20 -19.083 -1.493 8.103 128 H ALA 21 H ALA 21 -17.395 -7.808 3.702 129 HA ALA 21 HA ALA 21 -19.517 -8.692 2.231 130 HB1 ALA 21 1HB ALA 21 -17.559 -7.487 1.324 131 HB2 ALA 21 2HB ALA 21 -16.630 -8.984 1.410 132 HB3 ALA 21 3HB ALA 21 -18.028 -8.875 0.341 133 H GLY 22 H GLY 22 -16.737 -10.636 3.298 134 HA2 GLY 22 1HA GLY 22 -17.556 -12.935 4.060 135 HA3 GLY 22 2HA GLY 22 -18.187 -13.051 2.424 136 H HIS 23 H HIS 23 -15.203 -11.390 2.871 137 HA HIS 23 HA HIS 23 -13.774 -13.715 1.760 138 HB2 HIS 23 1HB HIS 23 -13.506 -10.770 1.228 139 HB3 HIS 23 2HB HIS 23 -12.164 -11.865 0.912 140 HD1 HIS 23 1HD HIS 23 -12.150 -11.903 -1.588 141 HD2 HIS 23 2HD HIS 23 -15.933 -12.592 -0.013 142 HE1 HIS 23 1HE HIS 23 -13.590 -12.539 -3.550 143 H HIS 24 H HIS 24 -11.373 -13.658 2.215 144 HA HIS 24 HA HIS 24 -10.802 -13.996 4.847 145 HB2 HIS 24 1HB HIS 24 -9.156 -14.724 3.346 146 HB3 HIS 24 2HB HIS 24 -9.052 -13.155 2.553 147 HD1 HIS 24 1HD HIS 24 -7.350 -11.522 3.440 148 HD2 HIS 24 2HD HIS 24 -7.832 -14.838 5.896 149 HE1 HIS 24 1HE HIS 24 -5.510 -11.368 5.147 150 HA PRO 25 HA PRO 25 -10.994 -9.989 6.697 151 HB2 PRO 25 1HB PRO 25 -9.761 -10.611 9.034 152 HB3 PRO 25 2HB PRO 25 -11.420 -11.096 8.664 153 HG2 PRO 25 1HG PRO 25 -8.892 -12.688 8.468 154 HG3 PRO 25 2HG PRO 25 -10.476 -13.177 9.098 155 HD2 PRO 25 1HD PRO 25 -9.624 -13.851 6.618 156 HD3 PRO 25 2HD PRO 25 -11.335 -13.562 6.994 157 H ASN 26 H ASN 26 -9.677 -8.220 7.070 158 HA ASN 26 HA ASN 26 -7.853 -6.881 6.840 159 HB2 ASN 26 1HB ASN 26 -6.663 -9.372 8.017 160 HB3 ASN 26 2HB ASN 26 -5.620 -8.033 7.546 161 HD21 ASN 26 1HD2 ASN 26 -5.542 -8.692 10.094 162 HD22 ASN 26 2HD2 ASN 26 -6.393 -7.556 11.079 163 H GLN 27 H GLN 27 -8.728 -7.869 4.477 164 HA GLN 27 HA GLN 27 -6.523 -9.030 3.005 165 HB2 GLN 27 1HB GLN 27 -8.029 -9.001 1.097 166 HB3 GLN 27 2HB GLN 27 -8.847 -9.674 2.501 167 HG2 GLN 27 1HG GLN 27 -9.676 -7.219 2.826 168 HG3 GLN 27 2HG GLN 27 -9.290 -7.079 1.112 169 HE21 GLN 27 1HE2 GLN 27 -11.267 -8.721 3.479 170 HE22 GLN 27 2HE2 GLN 27 -12.473 -9.276 2.374 171 H TYR 28 H TYR 28 -8.273 -5.944 3.076 172 HA TYR 28 HA TYR 28 -6.151 -4.764 1.417 173 HB2 TYR 28 1HB TYR 28 -9.015 -3.982 1.911 174 HB3 TYR 28 2HB TYR 28 -7.856 -2.842 1.236 175 HD1 TYR 28 1HD TYR 28 -6.570 -3.640 -0.883 176 HD2 TYR 28 2HD TYR 28 -10.193 -5.396 0.495 177 HE1 TYR 28 1HE TYR 28 -6.973 -4.557 -3.129 178 HE2 TYR 28 2HE TYR 28 -10.606 -6.318 -1.748 179 HH TYR 28 HH TYR 28 -8.515 -5.528 -4.473 180 H ALA 29 H ALA 29 -5.345 -2.655 1.984 181 HA ALA 29 HA ALA 29 -5.544 -2.072 4.868 182 HB1 ALA 29 1HB ALA 29 -3.358 -3.099 4.047 183 HB2 ALA 29 2HB ALA 29 -3.073 -1.555 3.243 184 HB3 ALA 29 3HB ALA 29 -3.248 -1.616 4.997 185 H THR 30 H THR 30 -5.871 0.007 5.462 186 HA THR 30 HA THR 30 -6.280 1.946 3.297 187 HB THR 30 HB THR 30 -7.203 2.212 6.159 188 HG1 THR 30 1HG THR 30 -8.215 0.715 4.059 189 HG21 THR 30 1HG2 THR 30 -7.438 3.818 3.717 190 HG22 THR 30 2HG2 THR 30 -7.609 4.293 5.407 191 HG23 THR 30 3HG2 THR 30 -8.965 3.552 4.558 192 H CYS 31 H CYS 31 -4.559 3.184 2.926 193 HA CYS 31 HA CYS 31 -2.440 3.644 4.683 194 HB2 CYS 31 1HB CYS 31 -2.538 4.012 2.148 195 HB3 CYS 31 2HB CYS 31 -3.255 5.577 2.519 196 H ARG 32 H ARG 32 -2.331 4.795 6.484 197 HA ARG 32 HA ARG 32 -4.447 6.602 7.220 198 HB2 ARG 32 1HB ARG 32 -1.869 5.877 8.625 199 HB3 ARG 32 2HB ARG 32 -3.145 6.869 9.319 200 HG2 ARG 32 1HG ARG 32 -4.587 5.084 9.558 201 HG3 ARG 32 2HG ARG 32 -3.773 4.128 8.318 202 HD2 ARG 32 1HD ARG 32 -3.146 3.095 10.310 203 HD3 ARG 32 2HD ARG 32 -1.770 4.128 9.926 204 HE ARG 32 HE ARG 32 -3.400 5.640 11.543 205 HH11 ARG 32 2HH1 ARG 32 -1.732 2.594 11.791 206 HH12 ARG 32 1HH1 ARG 32 -1.506 2.709 13.505 207 HH21 ARG 32 2HH2 ARG 32 -3.109 5.803 13.799 208 HH22 ARG 32 1HH2 ARG 32 -2.290 4.534 14.646 209 H LEU 33 H LEU 33 -1.805 6.953 5.298 210 HA LEU 33 HA LEU 33 -1.071 9.625 6.181 211 HB2 LEU 33 1HB LEU 33 -0.064 7.750 4.075 212 HB3 LEU 33 2HB LEU 33 0.387 9.454 4.049 213 HG LEU 33 HG LEU 33 0.904 7.630 6.391 214 HD11 LEU 33 1HD1 LEU 33 3.106 8.503 4.620 215 HD12 LEU 33 2HD1 LEU 33 2.059 7.216 4.023 216 HD13 LEU 33 3HD1 LEU 33 2.916 7.017 5.551 217 HD21 LEU 33 1HD2 LEU 33 2.381 10.145 5.760 218 HD22 LEU 33 2HD2 LEU 33 2.115 9.355 7.314 219 HD23 LEU 33 3HD2 LEU 33 0.799 10.236 6.536 220 H CYS 34 H CYS 34 -2.378 8.102 3.238 221 HA CYS 34 HA CYS 34 -3.459 10.731 2.463 222 HB2 CYS 34 1HB CYS 34 -3.430 9.953 0.159 223 HB3 CYS 34 2HB CYS 34 -1.829 9.771 0.868 224 H GLY 35 H GLY 35 -4.171 7.272 2.679 225 HA2 GLY 35 1HA GLY 35 -6.324 6.582 3.545 226 HA3 GLY 35 2HA GLY 35 -7.036 7.971 2.737 227 H ARG 36 H ARG 36 -4.658 5.936 1.187 228 HA ARG 36 HA ARG 36 -6.723 5.094 -0.723 229 HB2 ARG 36 1HB ARG 36 -3.789 5.604 -0.926 230 HB3 ARG 36 2HB ARG 36 -4.510 4.428 -2.017 231 HG2 ARG 36 1HG ARG 36 -6.239 6.401 -2.397 232 HG3 ARG 36 2HG ARG 36 -4.849 7.367 -1.897 233 HD2 ARG 36 1HD ARG 36 -3.501 6.145 -3.625 234 HD3 ARG 36 2HD ARG 36 -5.007 5.426 -4.195 235 HE ARG 36 HE ARG 36 -5.249 8.237 -4.106 236 HH11 ARG 36 2HH1 ARG 36 -3.722 5.690 -5.922 237 HH12 ARG 36 1HH1 ARG 36 -3.682 6.591 -7.401 238 HH21 ARG 36 2HH2 ARG 36 -5.202 9.434 -6.047 239 HH22 ARG 36 1HH2 ARG 36 -4.522 8.721 -7.471 240 H GLN 37 H GLN 37 -7.092 2.970 -1.188 241 HA GLN 37 HA GLN 37 -6.323 1.047 0.778 242 HB2 GLN 37 1HB GLN 37 -7.744 0.633 -1.858 243 HB3 GLN 37 2HB GLN 37 -7.651 -0.531 -0.543 244 HG2 GLN 37 1HG GLN 37 -9.788 0.491 -0.451 245 HG3 GLN 37 2HG GLN 37 -8.842 1.114 0.900 246 HE21 GLN 37 1HE2 GLN 37 -9.107 3.191 1.228 247 HE22 GLN 37 2HE2 GLN 37 -9.425 4.388 0.024 248 H VAL 38 H VAL 38 -4.707 -0.387 0.754 249 HA VAL 38 HA VAL 38 -3.282 -0.864 -1.775 250 HB VAL 38 HB VAL 38 -1.963 -0.354 0.895 251 HG11 VAL 38 1HG1 VAL 38 -0.366 -1.676 0.045 252 HG12 VAL 38 2HG1 VAL 38 -1.034 -1.597 -1.586 253 HG13 VAL 38 3HG1 VAL 38 0.005 -0.300 -0.994 254 HG21 VAL 38 1HG2 VAL 38 -2.635 1.737 0.043 255 HG22 VAL 38 2HG2 VAL 38 -0.937 1.574 -0.406 256 HG23 VAL 38 3HG2 VAL 38 -2.197 1.295 -1.608 257 H SER 39 H SER 39 -3.603 -2.948 -2.203 258 HA SER 39 HA SER 39 -4.036 -4.891 -0.129 259 HB2 SER 39 1HB SER 39 -4.253 -6.496 -1.984 260 HB3 SER 39 2HB SER 39 -5.229 -5.055 -2.270 261 HG SER 39 HG SER 39 -3.109 -4.383 -3.410 262 H ARG 40 H ARG 40 -2.756 -6.763 0.251 263 HA ARG 40 HA ARG 40 0.092 -6.223 0.036 264 HB2 ARG 40 1HB ARG 40 -1.470 -8.346 1.511 265 HB3 ARG 40 2HB ARG 40 0.285 -8.248 1.515 266 HG2 ARG 40 1HG ARG 40 0.187 -6.065 2.566 267 HG3 ARG 40 2HG ARG 40 -1.577 -6.100 2.507 268 HD2 ARG 40 1HD ARG 40 0.120 -8.117 3.970 269 HD3 ARG 40 2HD ARG 40 -0.615 -6.704 4.726 270 HE ARG 40 HE ARG 40 -2.745 -7.874 3.632 271 HH11 ARG 40 2HH1 ARG 40 -0.127 -9.196 5.508 272 HH12 ARG 40 1HH1 ARG 40 -1.087 -10.463 6.197 273 HH21 ARG 40 2HH2 ARG 40 -4.019 -9.538 4.532 274 HH22 ARG 40 1HH2 ARG 40 -3.301 -10.657 5.640 275 H GLY 41 H GLY 41 -2.203 -8.778 -0.879 276 HA2 GLY 41 1HA GLY 41 -2.129 -10.258 -2.645 277 HA3 GLY 41 2HA GLY 41 -0.717 -9.398 -3.241 278 HA PRO 42 HA PRO 42 0.337 -13.626 -1.320 279 HB2 PRO 42 1HB PRO 42 0.767 -15.007 -3.617 280 HB3 PRO 42 2HB PRO 42 -0.806 -14.945 -2.814 281 HG2 PRO 42 1HG PRO 42 0.186 -13.374 -5.161 282 HG3 PRO 42 2HG PRO 42 -1.392 -14.144 -4.917 283 HD2 PRO 42 1HD PRO 42 -0.994 -11.490 -4.555 284 HD3 PRO 42 2HD PRO 42 -2.172 -12.418 -3.604 285 H GLY 43 H GLY 43 2.163 -12.185 -0.786 286 HA2 GLY 43 1HA GLY 43 4.614 -13.035 -1.320 287 HA3 GLY 43 2HA GLY 43 4.312 -12.071 -2.758 288 H VAL 44 H VAL 44 3.356 -11.457 0.602 289 HA VAL 44 HA VAL 44 4.858 -8.926 0.460 290 HB VAL 44 HB VAL 44 2.371 -8.747 0.713 291 HG11 VAL 44 1HG1 VAL 44 2.999 -10.266 3.210 292 HG12 VAL 44 2HG1 VAL 44 1.639 -9.142 3.175 293 HG13 VAL 44 3HG1 VAL 44 1.689 -10.502 2.054 294 HG21 VAL 44 1HG2 VAL 44 2.490 -6.919 2.153 295 HG22 VAL 44 2HG2 VAL 44 3.717 -7.676 3.169 296 HG23 VAL 44 3HG2 VAL 44 4.144 -7.083 1.564 297 H ASN 45 H ASN 45 6.037 -11.451 1.210 298 HA ASN 45 HA ASN 45 6.620 -10.933 4.052 299 HB2 ASN 45 1HB ASN 45 5.532 -13.164 3.416 300 HB3 ASN 45 2HB ASN 45 7.070 -13.569 2.660 301 HD21 ASN 45 1HD2 ASN 45 6.046 -12.048 5.702 302 HD22 ASN 45 2HD2 ASN 45 7.026 -13.040 6.722 303 H VAL 46 H VAL 46 7.949 -11.632 0.882 304 HA VAL 46 HA VAL 46 10.538 -12.165 1.180 305 HB VAL 46 HB VAL 46 9.473 -9.927 -0.548 306 HG11 VAL 46 1HG1 VAL 46 11.500 -10.328 -1.918 307 HG12 VAL 46 2HG1 VAL 46 11.857 -9.676 -0.318 308 HG13 VAL 46 3HG1 VAL 46 12.107 -11.390 -0.649 309 HG21 VAL 46 1HG2 VAL 46 9.193 -11.517 -2.251 310 HG22 VAL 46 2HG2 VAL 46 10.149 -12.729 -1.398 311 HG23 VAL 46 3HG2 VAL 46 8.546 -12.293 -0.805 312 H GLY 47 H GLY 47 9.131 -8.968 1.807 313 HA2 GLY 47 1HA GLY 47 10.556 -8.213 3.966 314 HA3 GLY 47 2HA GLY 47 11.682 -7.890 2.655 315 H THR 48 H THR 48 10.812 -6.515 0.857 316 HA THR 48 HA THR 48 9.951 -4.050 1.854 317 HB THR 48 HB THR 48 9.733 -5.022 -1.002 318 HG1 THR 48 1HG THR 48 11.864 -5.199 -0.355 319 HG21 THR 48 1HG2 THR 48 8.517 -3.022 -0.883 320 HG22 THR 48 2HG2 THR 48 10.123 -2.512 -1.404 321 HG23 THR 48 3HG2 THR 48 9.635 -2.307 0.278 322 H THR 49 H THR 49 8.067 -4.387 3.082 323 HA THR 49 HA THR 49 5.735 -5.648 2.268 324 HB THR 49 HB THR 49 5.654 -3.148 3.938 325 HG1 THR 49 1HG THR 49 6.499 -4.257 5.636 326 HG21 THR 49 1HG2 THR 49 4.072 -5.686 3.735 327 HG22 THR 49 2HG2 THR 49 3.507 -4.015 3.719 328 HG23 THR 49 3HG2 THR 49 4.062 -4.743 5.225 329 H ALA 50 H ALA 50 4.231 -5.209 0.795 330 HA ALA 50 HA ALA 50 4.317 -3.473 -1.227 331 HB1 ALA 50 1HB ALA 50 2.557 -5.185 -0.896 332 HB2 ALA 50 2HB ALA 50 1.744 -4.086 0.219 333 HB3 ALA 50 3HB ALA 50 1.930 -3.642 -1.478 334 H LEU 51 H LEU 51 3.170 -2.679 2.013 335 HA LEU 51 HA LEU 51 2.111 -0.156 1.541 336 HB2 LEU 51 1HB LEU 51 3.701 -0.907 3.983 337 HB3 LEU 51 2HB LEU 51 2.401 0.277 3.864 338 HG LEU 51 HG LEU 51 2.013 -2.692 3.509 339 HD11 LEU 51 1HD1 LEU 51 1.858 -0.947 5.939 340 HD12 LEU 51 2HD1 LEU 51 2.640 -2.515 5.742 341 HD13 LEU 51 3HD1 LEU 51 0.881 -2.409 5.796 342 HD21 LEU 51 1HD2 LEU 51 0.183 -1.767 2.500 343 HD22 LEU 51 2HD2 LEU 51 0.241 -0.302 3.481 344 HD23 LEU 51 3HD2 LEU 51 -0.380 -1.803 4.171 345 H TRP 52 H TRP 52 5.439 -0.978 2.518 346 HA TRP 52 HA TRP 52 6.552 1.526 2.580 347 HB2 TRP 52 1HB TRP 52 7.680 -1.138 1.762 348 HB3 TRP 52 2HB TRP 52 8.678 0.313 1.719 349 HD1 TRP 52 HD TRP 52 7.482 -2.344 4.033 350 HE1 TRP 52 1HE TRP 52 8.225 -1.822 6.442 351 HE3 TRP 52 3HE TRP 52 9.020 2.488 3.380 352 HZ2 TRP 52 2HZ TRP 52 9.317 0.351 7.875 353 HZ3 TRP 52 3HZ TRP 52 9.901 3.718 5.321 354 HH2 TRP 52 HH TRP 52 10.045 2.670 7.521 355 H LYS 53 H LYS 53 6.338 -0.596 -0.274 356 HA LYS 53 HA LYS 53 7.537 0.968 -2.166 357 HB2 LYS 53 1HB LYS 53 5.193 -0.899 -2.309 358 HB3 LYS 53 2HB LYS 53 5.707 -0.019 -3.743 359 HG2 LYS 53 1HG LYS 53 7.875 -1.036 -3.665 360 HG3 LYS 53 2HG LYS 53 7.512 -1.793 -2.112 361 HD2 LYS 53 1HD LYS 53 5.513 -2.846 -3.435 362 HD3 LYS 53 2HD LYS 53 6.511 -2.475 -4.843 363 HE2 LYS 53 1HE LYS 53 8.382 -3.711 -3.739 364 HE3 LYS 53 2HE LYS 53 7.247 -4.200 -2.482 365 HZ1 LYS 53 1HZ LYS 53 7.729 -5.575 -4.748 366 HZ2 LYS 53 2HZ LYS 53 6.327 -4.723 -5.162 367 HZ3 LYS 53 3HZ LYS 53 6.333 -5.732 -3.804 368 H HIS 54 H HIS 54 4.223 1.247 -0.960 369 HA HIS 54 HA HIS 54 3.492 3.358 -2.732 370 HB2 HIS 54 1HB HIS 54 1.785 1.935 -1.745 371 HB3 HIS 54 2HB HIS 54 2.258 2.442 -0.126 372 HD1 HIS 54 1HD HIS 54 0.843 3.985 -3.298 373 HD2 HIS 54 2HD HIS 54 0.847 4.557 0.817 374 HE1 HIS 54 1HE HIS 54 -0.755 5.881 -2.881 375 H LEU 55 H LEU 55 4.570 3.230 0.642 376 HA LEU 55 HA LEU 55 4.306 5.946 1.244 377 HB2 LEU 55 1HB LEU 55 6.252 3.892 2.274 378 HB3 LEU 55 2HB LEU 55 6.070 5.504 2.963 379 HG LEU 55 HG LEU 55 3.759 3.592 2.798 380 HD11 LEU 55 1HD1 LEU 55 5.451 2.390 3.998 381 HD12 LEU 55 2HD1 LEU 55 4.274 3.007 5.156 382 HD13 LEU 55 3HD1 LEU 55 5.834 3.809 4.973 383 HD21 LEU 55 1HD2 LEU 55 4.268 5.740 4.827 384 HD22 LEU 55 2HD2 LEU 55 2.742 4.986 4.366 385 HD23 LEU 55 3HD2 LEU 55 3.540 6.108 3.264 386 H LYS 56 H LYS 56 7.097 4.156 -0.034 387 HA LYS 56 HA LYS 56 8.701 6.526 -0.289 388 HB2 LYS 56 1HB LYS 56 9.180 3.836 -1.574 389 HB3 LYS 56 2HB LYS 56 10.369 5.092 -1.252 390 HG2 LYS 56 1HG LYS 56 10.551 4.555 0.946 391 HG3 LYS 56 2HG LYS 56 8.879 4.002 1.065 392 HD2 LYS 56 1HD LYS 56 10.135 2.042 1.254 393 HD3 LYS 56 2HD LYS 56 9.626 2.057 -0.436 394 HE2 LYS 56 1HE LYS 56 12.218 3.336 0.264 395 HE3 LYS 56 2HE LYS 56 12.133 1.575 0.268 396 HZ1 LYS 56 1HZ LYS 56 11.488 1.564 -1.998 397 HZ2 LYS 56 2HZ LYS 56 12.826 2.591 -1.883 398 HZ3 LYS 56 3HZ LYS 56 11.272 3.242 -2.029 399 H SER 57 H SER 57 6.178 5.237 -2.067 400 HA SER 57 HA SER 57 7.121 6.029 -4.680 401 HB2 SER 57 1HB SER 57 5.647 4.146 -4.632 402 HB3 SER 57 2HB SER 57 4.455 5.023 -3.672 403 HG SER 57 HG SER 57 4.036 6.331 -5.447 404 H MET 58 H MET 58 4.825 7.230 -2.270 405 HA MET 58 HA MET 58 4.787 9.797 -3.713 406 HB2 MET 58 1HB MET 58 2.489 10.138 -3.037 407 HB3 MET 58 2HB MET 58 2.621 8.609 -3.896 408 HG2 MET 58 1HG MET 58 2.311 7.353 -1.975 409 HG3 MET 58 2HG MET 58 2.759 8.687 -0.914 410 HE1 MET 58 1HE MET 58 -0.275 7.694 -3.561 411 HE2 MET 58 2HE MET 58 -0.981 9.306 -3.437 412 HE3 MET 58 3HE MET 58 0.686 9.112 -3.982 413 H HIS 59 H HIS 59 4.742 8.131 -0.622 414 HA HIS 59 HA HIS 59 4.992 10.643 0.836 415 HB2 HIS 59 1HB HIS 59 4.924 7.804 1.880 416 HB3 HIS 59 2HB HIS 59 4.827 9.270 2.851 417 HD1 HIS 59 1HD HIS 59 2.633 10.811 2.271 418 HD2 HIS 59 2HD HIS 59 2.512 6.815 1.141 419 HE1 HIS 59 1HE HIS 59 0.201 10.291 1.902 420 H ARG 60 H ARG 60 7.099 9.510 -0.989 421 HA ARG 60 HA ARG 60 9.266 8.453 0.350 422 HB2 ARG 60 1HB ARG 60 9.351 8.641 -2.024 423 HB3 ARG 60 2HB ARG 60 9.146 10.386 -1.960 424 HG2 ARG 60 1HG ARG 60 11.334 10.746 -1.275 425 HG3 ARG 60 2HG ARG 60 11.533 9.084 -0.716 426 HD2 ARG 60 1HD ARG 60 10.974 9.557 -3.600 427 HD3 ARG 60 2HD ARG 60 12.588 9.916 -2.989 428 HE ARG 60 HE ARG 60 12.101 7.422 -2.051 429 HH11 ARG 60 2HH1 ARG 60 11.944 8.877 -5.210 430 HH12 ARG 60 1HH1 ARG 60 12.340 7.414 -6.048 431 HH21 ARG 60 2HH2 ARG 60 12.624 5.488 -3.143 432 HH22 ARG 60 1HH2 ARG 60 12.726 5.486 -4.871 433 H GLU 61 H GLU 61 8.188 11.802 0.185 434 HA GLU 61 HA GLU 61 10.472 12.911 1.467 435 HB2 GLU 61 1HB GLU 61 7.665 13.960 1.094 436 HB3 GLU 61 2HB GLU 61 8.964 14.898 1.817 437 HG2 GLU 61 1HG GLU 61 10.201 14.906 -0.205 438 HG3 GLU 61 2HG GLU 61 9.133 13.709 -0.937 439 H GLU 62 H GLU 62 7.324 11.785 2.602 440 HA GLU 62 HA GLU 62 7.530 12.679 5.256 441 HB2 GLU 62 1HB GLU 62 5.398 11.977 4.470 442 HB3 GLU 62 2HB GLU 62 6.011 10.397 4.003 443 HG2 GLU 62 1HG GLU 62 4.928 9.863 5.932 444 HG3 GLU 62 2HG GLU 62 6.543 10.191 6.559 445 H LEU 63 H LEU 63 8.327 9.521 3.823 446 HA LEU 63 HA LEU 63 9.190 8.234 6.127 447 HB2 LEU 63 1HB LEU 63 10.319 7.917 3.351 448 HB3 LEU 63 2HB LEU 63 10.438 6.750 4.666 449 HG LEU 63 HG LEU 63 7.878 7.581 3.301 450 HD11 LEU 63 1HD1 LEU 63 7.920 5.451 2.215 451 HD12 LEU 63 2HD1 LEU 63 9.384 4.982 3.079 452 HD13 LEU 63 3HD1 LEU 63 9.445 6.271 1.877 453 HD21 LEU 63 1HD2 LEU 63 7.067 6.862 5.287 454 HD22 LEU 63 2HD2 LEU 63 8.512 5.924 5.665 455 HD23 LEU 63 3HD2 LEU 63 7.309 5.280 4.547 456 H GLU 64 H GLU 64 11.174 9.994 3.743 457 HA GLU 64 HA GLU 64 13.638 9.748 4.944 458 HB2 GLU 64 1HB GLU 64 12.473 12.066 3.401 459 HB3 GLU 64 2HB GLU 64 14.164 11.977 3.873 460 HG2 GLU 64 1HG GLU 64 14.410 9.910 2.588 461 HG3 GLU 64 2HG GLU 64 12.719 10.018 2.103 462 H LYS 65 H LYS 65 11.200 12.268 5.528 463 HA LYS 65 HA LYS 65 12.539 13.850 7.330 464 HB2 LYS 65 1HB LYS 65 10.144 14.060 6.368 465 HB3 LYS 65 2HB LYS 65 9.657 13.122 7.774 466 HG2 LYS 65 1HG LYS 65 10.195 14.808 9.253 467 HG3 LYS 65 2HG LYS 65 11.315 15.579 8.128 468 HD2 LYS 65 1HD LYS 65 9.540 17.025 7.997 469 HD3 LYS 65 2HD LYS 65 9.128 15.906 6.696 470 HE2 LYS 65 1HE LYS 65 7.151 16.236 7.961 471 HE3 LYS 65 2HE LYS 65 7.754 14.633 8.378 472 HZ1 LYS 65 1HZ LYS 65 7.982 15.226 10.491 473 HZ2 LYS 65 2HZ LYS 65 7.117 16.634 10.130 474 HZ3 LYS 65 3HZ LYS 65 8.809 16.649 10.099 475 H SER 66 H SER 66 10.680 10.904 8.027 476 HA SER 66 HA SER 66 11.440 10.977 10.820 477 HB2 SER 66 1HB SER 66 9.687 9.226 9.137 478 HB3 SER 66 2HB SER 66 10.254 8.630 10.697 479 HG SER 66 HG SER 66 9.390 11.121 11.023 480 H GLY 67 H GLY 67 13.581 10.783 8.884 481 HA2 GLY 67 1HA GLY 67 15.453 9.530 8.392 482 HA3 GLY 67 2HA GLY 67 15.321 9.060 10.080 483 H HIS 68 H HIS 68 13.247 8.289 7.300 484 HA HIS 68 HA HIS 68 13.729 5.439 7.868 485 HB2 HIS 68 1HB HIS 68 11.291 6.875 6.828 486 HB3 HIS 68 2HB HIS 68 11.487 5.131 6.672 487 HD1 HIS 68 1HD HIS 68 12.578 4.425 9.429 488 HD2 HIS 68 2HD HIS 68 9.448 7.085 8.807 489 HE1 HIS 68 1HE HIS 68 11.291 4.464 11.589 490 H GLY 69 H GLY 69 12.631 7.445 5.121 491 HA2 GLY 69 1HA GLY 69 13.023 7.202 2.861 492 HA3 GLY 69 2HA GLY 69 14.697 7.077 3.381 493 H GLN 70 H GLN 70 15.749 5.258 2.918 494 HA GLN 70 HA GLN 70 14.242 3.048 1.766 495 HB2 GLN 70 1HB GLN 70 17.160 3.779 1.822 496 HB3 GLN 70 2HB GLN 70 16.625 2.188 1.297 497 HG2 GLN 70 1HG GLN 70 16.749 3.278 -0.702 498 HG3 GLN 70 2HG GLN 70 15.061 3.563 -0.281 499 HE21 GLN 70 1HE2 GLN 70 18.007 4.969 -1.103 500 HE22 GLN 70 2HE2 GLN 70 17.588 6.619 -0.811 501 H SER 71 H SER 71 13.804 3.275 4.473 502 HA SER 71 HA SER 71 15.337 2.071 6.327 503 HB2 SER 71 1HB SER 71 12.422 1.366 5.917 504 HB3 SER 71 2HB SER 71 13.324 1.285 7.430 505 HG SER 71 HG SER 71 13.655 3.718 6.615 506 H GLY 72 H GLY 72 16.721 0.451 5.867 507 HA2 GLY 72 1HA GLY 72 16.417 -2.119 6.092 508 HA3 GLY 72 2HA GLY 72 15.686 -1.938 4.505 509 HA PRO 73 HA PRO 73 20.124 -2.881 3.776 510 HB2 PRO 73 1HB PRO 73 19.656 -4.429 1.596 511 HB3 PRO 73 2HB PRO 73 19.585 -5.052 3.249 512 HG2 PRO 73 1HG PRO 73 17.350 -4.198 1.450 513 HG3 PRO 73 2HG PRO 73 17.452 -5.614 2.513 514 HD2 PRO 73 1HD PRO 73 16.096 -3.372 3.197 515 HD3 PRO 73 2HD PRO 73 16.915 -4.395 4.395 516 H SER 74 H SER 74 21.436 -2.495 1.816 517 HA SER 74 HA SER 74 20.996 0.008 0.710 518 HB2 SER 74 1HB SER 74 22.686 -2.284 -0.312 519 HB3 SER 74 2HB SER 74 22.749 -0.649 -0.970 520 HG SER 74 HG SER 74 23.105 -0.102 1.407 521 H SER 75 H SER 75 20.368 0.718 -1.356 522 HA SER 75 HA SER 75 18.106 -0.592 -2.430 523 HB2 SER 75 1HB SER 75 18.178 1.169 -4.169 524 HB3 SER 75 2HB SER 75 18.352 1.837 -2.546 525 HG SER 75 HG SER 75 20.487 2.178 -2.907 526 H GLY 76 H GLY 76 18.085 -2.333 -3.678 527 HA2 GLY 76 1HA GLY 76 19.662 -2.523 -6.048 528 HA3 GLY 76 2HA GLY 76 20.269 -3.598 -4.797 Start of MODEL 17 1 H1 GLY 1 H GLY 1 24.254 -15.501 -0.386 2 HA2 GLY 1 1HA GLY 1 24.355 -14.966 2.157 3 HA3 GLY 1 2HA GLY 1 24.437 -13.616 1.034 4 H SER 2 H SER 2 21.735 -15.678 2.091 5 HA SER 2 HA SER 2 19.967 -13.447 2.275 6 HB2 SER 2 1HB SER 2 18.346 -15.086 3.158 7 HB3 SER 2 2HB SER 2 19.140 -15.683 1.701 8 HG SER 2 HG SER 2 19.747 -16.379 4.385 9 H SER 3 H SER 3 19.598 -12.128 3.931 10 HA SER 3 HA SER 3 20.495 -12.954 6.613 11 HB2 SER 3 1HB SER 3 22.099 -11.343 5.779 12 HB3 SER 3 2HB SER 3 20.806 -10.238 5.313 13 HG SER 3 HG SER 3 21.678 -10.949 7.902 14 H GLY 4 H GLY 4 18.828 -13.088 7.952 15 HA2 GLY 4 1HA GLY 4 16.234 -12.559 7.602 16 HA3 GLY 4 2HA GLY 4 16.995 -12.328 9.169 17 H SER 5 H SER 5 14.750 -10.893 7.954 18 HA SER 5 HA SER 5 15.821 -8.190 8.287 19 HB2 SER 5 1HB SER 5 13.977 -8.977 6.017 20 HB3 SER 5 2HB SER 5 14.549 -7.347 6.371 21 HG SER 5 HG SER 5 16.473 -9.332 6.042 22 H SER 6 H SER 6 14.593 -6.961 9.571 23 HA SER 6 HA SER 6 11.818 -7.812 10.072 24 HB2 SER 6 1HB SER 6 13.256 -8.434 11.973 25 HB3 SER 6 2HB SER 6 13.785 -6.758 12.120 26 HG SER 6 HG SER 6 11.800 -6.177 12.815 27 H GLY 7 H GLY 7 10.344 -6.284 9.732 28 HA2 GLY 7 1HA GLY 7 10.957 -3.491 10.249 29 HA3 GLY 7 2HA GLY 7 10.650 -3.893 8.566 30 H SER 8 H SER 8 8.564 -4.728 7.988 31 HA SER 8 HA SER 8 6.306 -4.235 7.940 32 HB2 SER 8 1HB SER 8 6.813 -6.468 9.278 33 HB3 SER 8 2HB SER 8 6.124 -5.549 10.617 34 HG SER 8 HG SER 8 4.918 -6.384 8.220 35 H GLU 9 H GLU 9 7.849 -2.102 9.139 36 HA GLU 9 HA GLU 9 6.244 -1.174 11.379 37 HB2 GLU 9 1HB GLU 9 8.652 -0.815 11.470 38 HB3 GLU 9 2HB GLU 9 8.598 0.079 9.957 39 HG2 GLU 9 1HG GLU 9 7.680 1.939 10.923 40 HG3 GLU 9 2HG GLU 9 6.940 1.025 12.237 41 H ALA 10 H ALA 10 6.508 -0.724 7.963 42 HA ALA 10 HA ALA 10 5.418 1.801 7.605 43 HB1 ALA 10 1HB ALA 10 4.690 1.001 5.396 44 HB2 ALA 10 2HB ALA 10 6.347 0.525 5.768 45 HB3 ALA 10 3HB ALA 10 5.042 -0.654 5.895 46 H TRP 11 H TRP 11 3.926 -1.079 8.750 47 HA TRP 11 HA TRP 11 1.275 -0.747 8.035 48 HB2 TRP 11 1HB TRP 11 2.656 -1.999 10.365 49 HB3 TRP 11 2HB TRP 11 0.910 -1.786 10.449 50 HD1 TRP 11 HD TRP 11 3.374 -4.246 9.395 51 HE1 TRP 11 1HE TRP 11 2.340 -5.996 7.816 52 HE3 TRP 11 3HE TRP 11 -0.976 -1.824 8.236 53 HZ2 TRP 11 2HZ TRP 11 -0.009 -6.308 6.282 54 HZ3 TRP 11 3HZ TRP 11 -2.562 -2.916 6.705 55 HH2 TRP 11 HH TRP 11 -2.087 -5.111 5.749 56 H GLU 12 H GLU 12 3.186 1.061 10.291 57 HA GLU 12 HA GLU 12 1.175 2.168 11.890 58 HB2 GLU 12 1HB GLU 12 3.804 3.374 11.012 59 HB3 GLU 12 2HB GLU 12 2.792 4.008 12.302 60 HG2 GLU 12 1HG GLU 12 3.030 1.715 13.386 61 HG3 GLU 12 2HG GLU 12 4.329 1.436 12.228 62 H TYR 13 H TYR 13 1.967 2.708 8.600 63 HA TYR 13 HA TYR 13 0.401 5.193 8.541 64 HB2 TYR 13 1HB TYR 13 2.083 4.044 6.312 65 HB3 TYR 13 2HB TYR 13 1.420 5.670 6.424 66 HD1 TYR 13 2HD TYR 13 4.040 3.400 7.618 67 HD2 TYR 13 1HD TYR 13 2.472 7.351 7.813 68 HE1 TYR 13 2HE TYR 13 6.121 4.168 8.681 69 HE2 TYR 13 1HE TYR 13 4.549 8.129 8.876 70 HH TYR 13 HH TYR 13 6.588 7.579 9.557 71 H PHE 14 H PHE 14 -0.496 2.263 8.632 72 HA PHE 14 HA PHE 14 -2.605 2.582 6.663 73 HB2 PHE 14 1HB PHE 14 -0.796 0.156 6.673 74 HB3 PHE 14 2HB PHE 14 -2.286 0.302 5.746 75 HD1 PHE 14 1HD PHE 14 1.127 1.650 6.145 76 HD2 PHE 14 2HD PHE 14 -2.333 1.425 3.676 77 HE1 PHE 14 1HE PHE 14 2.387 2.670 4.293 78 HE2 PHE 14 2HE PHE 14 -1.079 2.444 1.820 79 HZ PHE 14 HZ PHE 14 1.284 3.067 2.127 80 H HIS 15 H HIS 15 -4.437 1.249 7.062 81 HA HIS 15 HA HIS 15 -4.414 -0.299 9.545 82 HB2 HIS 15 1HB HIS 15 -6.001 0.935 10.638 83 HB3 HIS 15 2HB HIS 15 -5.245 2.230 9.715 84 HD1 HIS 15 1HD HIS 15 -8.165 -0.177 9.289 85 HD2 HIS 15 2HD HIS 15 -7.032 3.702 8.323 86 HE1 HIS 15 1HE HIS 15 -10.166 0.847 8.160 87 H LEU 16 H LEU 16 -5.319 -2.209 9.197 88 HA LEU 16 HA LEU 16 -6.600 -2.890 6.781 89 HB2 LEU 16 1HB LEU 16 -6.447 -4.299 9.436 90 HB3 LEU 16 2HB LEU 16 -7.191 -5.009 8.004 91 HG LEU 16 HG LEU 16 -4.331 -4.093 7.995 92 HD11 LEU 16 1HD1 LEU 16 -4.744 -5.701 9.873 93 HD12 LEU 16 2HD1 LEU 16 -3.605 -6.260 8.649 94 HD13 LEU 16 3HD1 LEU 16 -5.256 -6.878 8.664 95 HD21 LEU 16 1HD2 LEU 16 -4.660 -4.613 5.843 96 HD22 LEU 16 2HD2 LEU 16 -6.150 -5.494 6.184 97 HD23 LEU 16 3HD2 LEU 16 -4.588 -6.288 6.390 98 H ALA 17 H ALA 17 -8.730 -3.216 6.255 99 HA ALA 17 HA ALA 17 -10.671 -1.906 8.007 100 HB1 ALA 17 1HB ALA 17 -10.722 -1.044 5.808 101 HB2 ALA 17 2HB ALA 17 -10.735 -2.657 5.096 102 HB3 ALA 17 3HB ALA 17 -12.152 -2.065 5.964 103 HA PRO 18 HA PRO 18 -12.485 -5.704 9.304 104 HB2 PRO 18 1HB PRO 18 -14.955 -4.790 9.964 105 HB3 PRO 18 2HB PRO 18 -13.519 -4.473 10.945 106 HG2 PRO 18 1HG PRO 18 -14.877 -2.705 8.947 107 HG3 PRO 18 2HG PRO 18 -14.227 -2.294 10.545 108 HD2 PRO 18 1HD PRO 18 -12.892 -1.764 8.249 109 HD3 PRO 18 2HD PRO 18 -12.061 -2.157 9.767 110 H ALA 19 H ALA 19 -13.970 -7.289 8.653 111 HA ALA 19 HA ALA 19 -15.474 -6.701 6.190 112 HB1 ALA 19 1HB ALA 19 -14.922 -9.073 5.496 113 HB2 ALA 19 2HB ALA 19 -13.594 -7.913 5.439 114 HB3 ALA 19 3HB ALA 19 -13.705 -9.062 6.773 115 H ARG 20 H ARG 20 -17.572 -6.978 6.523 116 HA ARG 20 HA ARG 20 -18.506 -8.632 8.718 117 HB2 ARG 20 1HB ARG 20 -20.732 -7.714 8.150 118 HB3 ARG 20 2HB ARG 20 -19.536 -6.457 8.436 119 HG2 ARG 20 1HG ARG 20 -19.315 -6.044 6.088 120 HG3 ARG 20 2HG ARG 20 -20.340 -7.428 5.704 121 HD2 ARG 20 1HD ARG 20 -22.074 -6.157 7.209 122 HD3 ARG 20 2HD ARG 20 -21.080 -4.758 6.807 123 HE ARG 20 HE ARG 20 -21.926 -6.359 4.552 124 HH11 ARG 20 2HH1 ARG 20 -22.606 -3.635 6.610 125 HH12 ARG 20 1HH1 ARG 20 -23.629 -2.850 5.453 126 HH21 ARG 20 2HH2 ARG 20 -23.271 -5.335 3.020 127 HH22 ARG 20 1HH2 ARG 20 -24.007 -3.818 3.412 128 H ALA 21 H ALA 21 -17.270 -9.985 6.505 129 HA ALA 21 HA ALA 21 -19.448 -11.809 5.860 130 HB1 ALA 21 1HB ALA 21 -19.472 -11.540 3.629 131 HB2 ALA 21 2HB ALA 21 -18.820 -9.943 4.000 132 HB3 ALA 21 3HB ALA 21 -17.734 -11.254 3.540 133 H GLY 22 H GLY 22 -18.494 -13.761 4.594 134 HA2 GLY 22 1HA GLY 22 -16.628 -15.039 6.215 135 HA3 GLY 22 2HA GLY 22 -17.057 -15.551 4.590 136 H HIS 23 H HIS 23 -16.123 -13.349 3.141 137 HA HIS 23 HA HIS 23 -13.589 -13.974 2.470 138 HB2 HIS 23 1HB HIS 23 -14.964 -11.299 2.477 139 HB3 HIS 23 2HB HIS 23 -13.323 -11.476 1.864 140 HD1 HIS 23 1HD HIS 23 -13.186 -13.554 -0.029 141 HD2 HIS 23 2HD HIS 23 -16.804 -11.590 0.530 142 HE1 HIS 23 1HE HIS 23 -14.526 -14.008 -2.108 143 H HIS 24 H HIS 24 -11.565 -13.729 3.230 144 HA HIS 24 HA HIS 24 -10.956 -13.410 5.857 145 HB2 HIS 24 1HB HIS 24 -9.469 -13.978 3.733 146 HB3 HIS 24 2HB HIS 24 -8.995 -12.291 3.906 147 HD1 HIS 24 1HD HIS 24 -7.048 -11.930 5.379 148 HD2 HIS 24 2HD HIS 24 -9.077 -15.427 6.337 149 HE1 HIS 24 1HE HIS 24 -5.711 -13.000 7.220 150 HA PRO 25 HA PRO 25 -11.599 -9.173 6.879 151 HB2 PRO 25 1HB PRO 25 -10.055 -9.051 9.108 152 HB3 PRO 25 2HB PRO 25 -11.623 -9.866 9.069 153 HG2 PRO 25 1HG PRO 25 -8.874 -11.036 8.866 154 HG3 PRO 25 2HG PRO 25 -10.273 -11.618 9.788 155 HD2 PRO 25 1HD PRO 25 -9.552 -12.684 7.405 156 HD3 PRO 25 2HD PRO 25 -11.243 -12.596 7.939 157 H ASN 26 H ASN 26 -8.375 -10.489 6.483 158 HA ASN 26 HA ASN 26 -7.250 -7.800 6.198 159 HB2 ASN 26 1HB ASN 26 -5.601 -10.285 5.954 160 HB3 ASN 26 2HB ASN 26 -5.159 -8.710 6.606 161 HD21 ASN 26 1HD2 ASN 26 -7.101 -8.246 8.432 162 HD22 ASN 26 2HD2 ASN 26 -7.033 -9.430 9.690 163 H GLN 27 H GLN 27 -8.634 -7.693 4.178 164 HA GLN 27 HA GLN 27 -7.467 -9.109 1.903 165 HB2 GLN 27 1HB GLN 27 -9.369 -8.189 0.630 166 HB3 GLN 27 2HB GLN 27 -9.891 -9.109 2.034 167 HG2 GLN 27 1HG GLN 27 -10.110 -6.927 3.255 168 HG3 GLN 27 2HG GLN 27 -9.841 -6.124 1.709 169 HE21 GLN 27 1HE2 GLN 27 -11.292 -7.058 -0.089 170 HE22 GLN 27 2HE2 GLN 27 -12.959 -7.240 0.328 171 H TYR 28 H TYR 28 -8.214 -5.785 2.924 172 HA TYR 28 HA TYR 28 -6.007 -4.860 1.216 173 HB2 TYR 28 1HB TYR 28 -8.826 -3.850 1.320 174 HB3 TYR 28 2HB TYR 28 -7.516 -2.735 0.946 175 HD1 TYR 28 2HD TYR 28 -9.427 -5.634 -0.227 176 HD2 TYR 28 1HD TYR 28 -6.298 -2.900 -1.144 177 HE1 TYR 28 2HE TYR 28 -9.484 -6.364 -2.575 178 HE2 TYR 28 1HE TYR 28 -6.348 -3.622 -3.494 179 HH TYR 28 HH TYR 28 -7.677 -4.717 -5.056 180 H ALA 29 H ALA 29 -5.369 -2.558 1.808 181 HA ALA 29 HA ALA 29 -5.613 -2.152 4.717 182 HB1 ALA 29 1HB ALA 29 -3.191 -1.119 4.298 183 HB2 ALA 29 2HB ALA 29 -3.445 -2.817 4.701 184 HB3 ALA 29 3HB ALA 29 -3.193 -2.338 3.023 185 H THR 30 H THR 30 -5.857 -0.074 5.430 186 HA THR 30 HA THR 30 -6.349 1.938 3.350 187 HB THR 30 HB THR 30 -7.187 2.082 6.248 188 HG1 THR 30 1HG THR 30 -8.724 1.220 4.005 189 HG21 THR 30 1HG2 THR 30 -7.089 4.200 4.911 190 HG22 THR 30 2HG2 THR 30 -8.694 3.797 5.520 191 HG23 THR 30 3HG2 THR 30 -8.293 3.504 3.828 192 H CYS 31 H CYS 31 -4.668 3.226 2.976 193 HA CYS 31 HA CYS 31 -2.509 3.632 4.727 194 HB2 CYS 31 1HB CYS 31 -2.725 4.035 2.152 195 HB3 CYS 31 2HB CYS 31 -3.242 5.649 2.631 196 H ARG 32 H ARG 32 -2.612 4.613 6.632 197 HA ARG 32 HA ARG 32 -4.646 6.487 7.318 198 HB2 ARG 32 1HB ARG 32 -2.080 5.804 8.766 199 HB3 ARG 32 2HB ARG 32 -3.431 6.700 9.446 200 HG2 ARG 32 1HG ARG 32 -4.864 4.731 9.173 201 HG3 ARG 32 2HG ARG 32 -3.490 3.835 8.524 202 HD2 ARG 32 1HD ARG 32 -3.665 3.238 10.809 203 HD3 ARG 32 2HD ARG 32 -2.291 4.335 10.681 204 HE ARG 32 HE ARG 32 -4.812 4.838 12.020 205 HH11 ARG 32 2HH1 ARG 32 -1.849 6.160 10.758 206 HH12 ARG 32 1HH1 ARG 32 -1.919 7.591 11.732 207 HH21 ARG 32 2HH2 ARG 32 -4.916 6.718 13.308 208 HH22 ARG 32 1HH2 ARG 32 -3.664 7.907 13.183 209 H LEU 33 H LEU 33 -1.937 6.838 5.466 210 HA LEU 33 HA LEU 33 -1.214 9.498 6.378 211 HB2 LEU 33 1HB LEU 33 -0.176 7.589 4.340 212 HB3 LEU 33 2HB LEU 33 0.212 9.300 4.177 213 HG LEU 33 HG LEU 33 0.870 7.588 6.573 214 HD11 LEU 33 1HD1 LEU 33 2.852 8.718 4.637 215 HD12 LEU 33 2HD1 LEU 33 2.078 7.163 4.332 216 HD13 LEU 33 3HD1 LEU 33 3.043 7.397 5.790 217 HD21 LEU 33 1HD2 LEU 33 1.128 9.533 7.618 218 HD22 LEU 33 2HD2 LEU 33 0.830 10.440 6.135 219 HD23 LEU 33 3HD2 LEU 33 2.458 9.875 6.511 220 H CYS 34 H CYS 34 -2.390 8.061 3.331 221 HA CYS 34 HA CYS 34 -3.491 10.695 2.614 222 HB2 CYS 34 1HB CYS 34 -3.484 9.866 0.282 223 HB3 CYS 34 2HB CYS 34 -1.874 9.870 0.996 224 H GLY 35 H GLY 35 -4.223 7.272 2.933 225 HA2 GLY 35 1HA GLY 35 -6.388 6.561 3.679 226 HA3 GLY 35 2HA GLY 35 -7.083 7.964 2.882 227 H ARG 36 H ARG 36 -4.688 5.956 1.327 228 HA ARG 36 HA ARG 36 -6.704 5.195 -0.658 229 HB2 ARG 36 1HB ARG 36 -3.734 5.523 -0.708 230 HB3 ARG 36 2HB ARG 36 -4.482 4.424 -1.859 231 HG2 ARG 36 1HG ARG 36 -6.019 6.403 -2.432 232 HG3 ARG 36 2HG ARG 36 -4.811 7.386 -1.601 233 HD2 ARG 36 1HD ARG 36 -3.083 6.541 -3.107 234 HD3 ARG 36 2HD ARG 36 -4.280 5.539 -3.927 235 HE ARG 36 HE ARG 36 -5.249 8.102 -4.082 236 HH11 ARG 36 2HH1 ARG 36 -2.343 6.457 -5.067 237 HH12 ARG 36 1HH1 ARG 36 -2.067 7.488 -6.432 238 HH21 ARG 36 2HH2 ARG 36 -4.896 9.466 -5.875 239 HH22 ARG 36 1HH2 ARG 36 -3.519 9.200 -6.890 240 H GLN 37 H GLN 37 -7.017 3.068 -1.303 241 HA GLN 37 HA GLN 37 -6.423 1.090 0.721 242 HB2 GLN 37 1HB GLN 37 -7.916 0.763 -1.886 243 HB3 GLN 37 2HB GLN 37 -7.904 -0.368 -0.539 244 HG2 GLN 37 1HG GLN 37 -8.972 2.441 -0.389 245 HG3 GLN 37 2HG GLN 37 -9.957 1.010 -0.693 246 HE21 GLN 37 1HE2 GLN 37 -9.356 -0.810 0.992 247 HE22 GLN 37 2HE2 GLN 37 -9.420 -0.286 2.637 248 H VAL 38 H VAL 38 -4.721 -0.208 0.687 249 HA VAL 38 HA VAL 38 -3.468 -0.827 -1.909 250 HB VAL 38 HB VAL 38 -2.075 -0.288 0.716 251 HG11 VAL 38 1HG1 VAL 38 0.012 -0.649 -0.613 252 HG12 VAL 38 2HG1 VAL 38 -0.941 -2.108 -0.339 253 HG13 VAL 38 3HG1 VAL 38 -0.992 -1.302 -1.907 254 HG21 VAL 38 1HG2 VAL 38 -1.917 1.803 -0.011 255 HG22 VAL 38 2HG2 VAL 38 -1.028 1.232 -1.423 256 HG23 VAL 38 3HG2 VAL 38 -2.784 1.381 -1.487 257 H SER 39 H SER 39 -3.245 -2.924 -2.347 258 HA SER 39 HA SER 39 -4.030 -4.868 -0.339 259 HB2 SER 39 1HB SER 39 -4.760 -4.844 -2.825 260 HB3 SER 39 2HB SER 39 -3.171 -5.539 -3.145 261 HG SER 39 HG SER 39 -4.514 -7.247 -2.836 262 H ARG 40 H ARG 40 -2.768 -6.913 -0.144 263 HA ARG 40 HA ARG 40 0.087 -6.270 0.069 264 HB2 ARG 40 1HB ARG 40 -1.503 -8.473 1.397 265 HB3 ARG 40 2HB ARG 40 0.198 -8.124 1.676 266 HG2 ARG 40 1HG ARG 40 -0.464 -5.874 2.504 267 HG3 ARG 40 2HG ARG 40 -2.150 -6.373 2.362 268 HD2 ARG 40 1HD ARG 40 -0.099 -7.849 4.002 269 HD3 ARG 40 2HD ARG 40 -1.159 -6.600 4.656 270 HE ARG 40 HE ARG 40 -2.713 -8.541 3.345 271 HH11 ARG 40 2HH1 ARG 40 -0.754 -8.138 6.194 272 HH12 ARG 40 1HH1 ARG 40 -1.629 -9.312 7.121 273 HH21 ARG 40 2HH2 ARG 40 -3.872 -10.089 4.554 274 HH22 ARG 40 1HH2 ARG 40 -3.402 -10.422 6.186 275 H GLY 41 H GLY 41 -1.898 -9.168 -0.593 276 HA2 GLY 41 1HA GLY 41 -1.708 -10.703 -2.319 277 HA3 GLY 41 2HA GLY 41 -0.417 -9.726 -3.001 278 HA PRO 42 HA PRO 42 1.233 -13.669 -0.993 279 HB2 PRO 42 1HB PRO 42 2.133 -14.845 -3.269 280 HB3 PRO 42 2HB PRO 42 0.500 -15.094 -2.640 281 HG2 PRO 42 1HG PRO 42 1.432 -13.266 -4.819 282 HG3 PRO 42 2HG PRO 42 -0.002 -14.308 -4.770 283 HD2 PRO 42 1HD PRO 42 -0.118 -11.645 -4.291 284 HD3 PRO 42 2HD PRO 42 -1.204 -12.806 -3.500 285 H GLY 43 H GLY 43 3.105 -13.093 -0.077 286 HA2 GLY 43 1HA GLY 43 5.563 -13.182 -0.637 287 HA3 GLY 43 2HA GLY 43 5.196 -11.921 -1.804 288 H VAL 44 H VAL 44 3.256 -10.669 0.073 289 HA VAL 44 HA VAL 44 4.885 -8.718 1.180 290 HB VAL 44 HB VAL 44 2.421 -8.517 0.822 291 HG11 VAL 44 1HG1 VAL 44 2.423 -10.605 2.854 292 HG12 VAL 44 2HG1 VAL 44 1.326 -9.273 3.225 293 HG13 VAL 44 3HG1 VAL 44 1.170 -10.147 1.701 294 HG21 VAL 44 1HG2 VAL 44 4.034 -7.413 2.873 295 HG22 VAL 44 2HG2 VAL 44 2.643 -6.690 2.064 296 HG23 VAL 44 3HG2 VAL 44 2.413 -7.644 3.529 297 H ASN 45 H ASN 45 4.120 -11.864 2.365 298 HA ASN 45 HA ASN 45 4.440 -11.574 5.105 299 HB2 ASN 45 1HB ASN 45 5.459 -13.993 4.859 300 HB3 ASN 45 2HB ASN 45 3.756 -13.700 4.517 301 HD21 ASN 45 1HD2 ASN 45 3.108 -14.760 2.803 302 HD22 ASN 45 2HD2 ASN 45 4.020 -15.034 1.362 303 H VAL 46 H VAL 46 6.916 -12.127 2.620 304 HA VAL 46 HA VAL 46 8.924 -11.119 4.519 305 HB VAL 46 HB VAL 46 9.463 -13.380 4.559 306 HG11 VAL 46 1HG1 VAL 46 8.518 -13.382 1.733 307 HG12 VAL 46 2HG1 VAL 46 9.655 -14.626 2.256 308 HG13 VAL 46 3HG1 VAL 46 8.095 -14.459 3.064 309 HG21 VAL 46 1HG2 VAL 46 11.214 -11.651 3.410 310 HG22 VAL 46 2HG2 VAL 46 11.605 -13.306 3.876 311 HG23 VAL 46 3HG2 VAL 46 11.167 -12.941 2.208 312 H GLY 47 H GLY 47 9.594 -9.239 3.713 313 HA2 GLY 47 1HA GLY 47 11.188 -8.485 1.884 314 HA3 GLY 47 2HA GLY 47 9.919 -9.010 0.788 315 H THR 48 H THR 48 10.693 -6.510 0.454 316 HA THR 48 HA THR 48 9.789 -4.427 1.939 317 HB THR 48 HB THR 48 9.573 -4.688 -1.066 318 HG1 THR 48 1HG THR 48 11.682 -4.647 -0.799 319 HG21 THR 48 1HG2 THR 48 8.880 -2.558 -1.211 320 HG22 THR 48 2HG2 THR 48 9.971 -2.024 0.067 321 HG23 THR 48 3HG2 THR 48 8.412 -2.736 0.479 322 H THR 49 H THR 49 7.914 -4.444 3.038 323 HA THR 49 HA THR 49 5.516 -5.626 2.257 324 HB THR 49 HB THR 49 5.552 -3.161 3.975 325 HG1 THR 49 1HG THR 49 7.237 -4.320 4.824 326 HG21 THR 49 1HG2 THR 49 3.783 -5.449 3.507 327 HG22 THR 49 2HG2 THR 49 3.416 -3.843 4.137 328 HG23 THR 49 3HG2 THR 49 4.055 -5.088 5.210 329 H ALA 50 H ALA 50 4.014 -5.100 0.814 330 HA ALA 50 HA ALA 50 4.134 -3.307 -1.161 331 HB1 ALA 50 1HB ALA 50 2.236 -4.404 -1.556 332 HB2 ALA 50 2HB ALA 50 1.955 -4.695 0.162 333 HB3 ALA 50 3HB ALA 50 1.441 -3.175 -0.571 334 H LEU 51 H LEU 51 3.270 -2.566 2.146 335 HA LEU 51 HA LEU 51 2.199 -0.001 1.761 336 HB2 LEU 51 1HB LEU 51 3.801 -0.916 4.139 337 HB3 LEU 51 2HB LEU 51 2.585 0.359 4.095 338 HG LEU 51 HG LEU 51 1.975 -2.557 3.635 339 HD11 LEU 51 1HD1 LEU 51 2.012 -0.918 6.143 340 HD12 LEU 51 2HD1 LEU 51 2.688 -2.520 5.853 341 HD13 LEU 51 3HD1 LEU 51 0.941 -2.308 5.968 342 HD21 LEU 51 1HD2 LEU 51 0.469 -0.093 3.425 343 HD22 LEU 51 2HD2 LEU 51 -0.259 -1.212 4.577 344 HD23 LEU 51 3HD2 LEU 51 0.039 -1.726 2.916 345 H TRP 52 H TRP 52 5.526 -1.028 2.484 346 HA TRP 52 HA TRP 52 6.711 1.480 2.621 347 HB2 TRP 52 1HB TRP 52 7.817 -1.171 1.688 348 HB3 TRP 52 2HB TRP 52 8.813 0.267 1.889 349 HD1 TRP 52 HD TRP 52 7.483 -2.639 3.776 350 HE1 TRP 52 1HE TRP 52 8.015 -2.395 6.283 351 HE3 TRP 52 3HE TRP 52 8.963 2.254 3.820 352 HZ2 TRP 52 2HZ TRP 52 8.939 -0.394 8.045 353 HZ3 TRP 52 3HZ TRP 52 9.656 3.258 5.957 354 HH2 TRP 52 HH TRP 52 9.643 1.960 8.025 355 H LYS 53 H LYS 53 6.230 -0.610 -0.211 356 HA LYS 53 HA LYS 53 7.517 0.945 -2.116 357 HB2 LYS 53 1HB LYS 53 5.000 -0.676 -2.539 358 HB3 LYS 53 2HB LYS 53 6.161 -0.205 -3.773 359 HG2 LYS 53 1HG LYS 53 7.795 -1.675 -2.954 360 HG3 LYS 53 2HG LYS 53 6.941 -1.904 -1.426 361 HD2 LYS 53 1HD LYS 53 6.401 -3.851 -2.525 362 HD3 LYS 53 2HD LYS 53 5.040 -2.823 -2.981 363 HE2 LYS 53 1HE LYS 53 5.667 -3.739 -5.010 364 HE3 LYS 53 2HE LYS 53 6.523 -2.198 -5.015 365 HZ1 LYS 53 1HZ LYS 53 8.343 -3.753 -3.875 366 HZ2 LYS 53 2HZ LYS 53 8.250 -3.518 -5.547 367 HZ3 LYS 53 3HZ LYS 53 7.574 -4.902 -4.849 368 H HIS 54 H HIS 54 4.323 1.287 -0.711 369 HA HIS 54 HA HIS 54 3.486 3.324 -2.562 370 HB2 HIS 54 1HB HIS 54 1.830 1.865 -1.512 371 HB3 HIS 54 2HB HIS 54 2.303 2.447 0.081 372 HD1 HIS 54 1HD HIS 54 0.752 3.762 -3.122 373 HD2 HIS 54 2HD HIS 54 0.917 4.627 0.938 374 HE1 HIS 54 1HE HIS 54 -0.872 5.649 -2.770 375 H LEU 55 H LEU 55 4.822 3.212 0.694 376 HA LEU 55 HA LEU 55 4.467 5.935 1.332 377 HB2 LEU 55 1HB LEU 55 6.486 3.917 2.296 378 HB3 LEU 55 2HB LEU 55 6.298 5.528 2.987 379 HG LEU 55 HG LEU 55 4.035 3.551 2.915 380 HD11 LEU 55 1HD1 LEU 55 5.667 2.369 4.120 381 HD12 LEU 55 2HD1 LEU 55 4.674 3.160 5.344 382 HD13 LEU 55 3HD1 LEU 55 6.251 3.826 4.923 383 HD21 LEU 55 1HD2 LEU 55 4.445 5.651 4.983 384 HD22 LEU 55 2HD2 LEU 55 2.948 4.979 4.335 385 HD23 LEU 55 3HD2 LEU 55 3.880 6.137 3.384 386 H LYS 56 H LYS 56 7.289 4.190 0.041 387 HA LYS 56 HA LYS 56 8.823 6.582 -0.310 388 HB2 LYS 56 1HB LYS 56 9.333 3.927 -1.645 389 HB3 LYS 56 2HB LYS 56 10.500 5.185 -1.257 390 HG2 LYS 56 1HG LYS 56 10.748 4.484 0.861 391 HG3 LYS 56 2HG LYS 56 9.038 4.087 1.042 392 HD2 LYS 56 1HD LYS 56 9.315 1.953 0.300 393 HD3 LYS 56 2HD LYS 56 10.637 2.387 -0.786 394 HE2 LYS 56 1HE LYS 56 11.230 0.957 1.230 395 HE3 LYS 56 2HE LYS 56 12.209 2.398 0.962 396 HZ1 LYS 56 1HZ LYS 56 11.704 3.035 3.005 397 HZ2 LYS 56 2HZ LYS 56 10.678 1.708 3.222 398 HZ3 LYS 56 3HZ LYS 56 10.072 3.148 2.572 399 H SER 57 H SER 57 6.282 5.208 -2.015 400 HA SER 57 HA SER 57 7.133 6.062 -4.646 401 HB2 SER 57 1HB SER 57 4.837 4.567 -3.517 402 HB3 SER 57 2HB SER 57 4.507 5.506 -4.972 403 HG SER 57 HG SER 57 6.801 3.911 -4.920 404 H MET 58 H MET 58 4.852 7.110 -2.158 405 HA MET 58 HA MET 58 4.579 9.663 -3.601 406 HB2 MET 58 1HB MET 58 2.306 9.860 -2.693 407 HB3 MET 58 2HB MET 58 2.477 8.427 -3.699 408 HG2 MET 58 1HG MET 58 2.248 6.993 -1.945 409 HG3 MET 58 2HG MET 58 2.904 8.139 -0.778 410 HE1 MET 58 1HE MET 58 -0.665 7.626 -2.977 411 HE2 MET 58 2HE MET 58 -1.020 9.327 -2.676 412 HE3 MET 58 3HE MET 58 0.485 8.868 -3.474 413 H HIS 59 H HIS 59 4.814 8.024 -0.503 414 HA HIS 59 HA HIS 59 5.016 10.569 0.911 415 HB2 HIS 59 1HB HIS 59 5.077 7.739 1.981 416 HB3 HIS 59 2HB HIS 59 5.018 9.206 2.953 417 HD1 HIS 59 1HD HIS 59 2.777 10.760 2.301 418 HD2 HIS 59 2HD HIS 59 2.633 6.668 1.598 419 HE1 HIS 59 1HE HIS 59 0.333 10.192 2.136 420 H ARG 60 H ARG 60 7.078 9.569 -0.993 421 HA ARG 60 HA ARG 60 9.344 8.558 0.194 422 HB2 ARG 60 1HB ARG 60 9.397 8.837 -2.143 423 HB3 ARG 60 2HB ARG 60 8.977 10.541 -2.035 424 HG2 ARG 60 1HG ARG 60 11.194 10.953 -0.981 425 HG3 ARG 60 2HG ARG 60 11.601 9.266 -1.302 426 HD2 ARG 60 1HD ARG 60 12.488 10.751 -3.033 427 HD3 ARG 60 2HD ARG 60 11.296 9.630 -3.689 428 HE ARG 60 HE ARG 60 11.051 12.508 -3.461 429 HH11 ARG 60 2HH1 ARG 60 9.442 9.467 -3.999 430 HH12 ARG 60 1HH1 ARG 60 8.079 10.181 -4.796 431 HH21 ARG 60 2HH2 ARG 60 9.261 13.459 -4.508 432 HH22 ARG 60 1HH2 ARG 60 7.977 12.451 -5.085 433 H GLU 61 H GLU 61 8.104 11.848 0.285 434 HA GLU 61 HA GLU 61 10.411 12.969 1.541 435 HB2 GLU 61 1HB GLU 61 7.573 13.982 1.313 436 HB3 GLU 61 2HB GLU 61 8.907 14.917 1.974 437 HG2 GLU 61 1HG GLU 61 9.940 15.147 -0.080 438 HG3 GLU 61 2HG GLU 61 9.103 13.758 -0.770 439 H GLU 62 H GLU 62 7.244 11.870 2.698 440 HA GLU 62 HA GLU 62 7.443 12.615 5.357 441 HB2 GLU 62 1HB GLU 62 5.493 11.498 4.059 442 HB3 GLU 62 2HB GLU 62 6.230 9.985 4.564 443 HG2 GLU 62 1HG GLU 62 5.237 12.172 6.376 444 HG3 GLU 62 2HG GLU 62 4.454 10.622 6.076 445 H LEU 63 H LEU 63 8.604 9.655 3.787 446 HA LEU 63 HA LEU 63 9.568 8.413 6.130 447 HB2 LEU 63 1HB LEU 63 10.498 8.077 3.282 448 HB3 LEU 63 2HB LEU 63 10.843 6.977 4.616 449 HG LEU 63 HG LEU 63 8.107 7.533 3.469 450 HD11 LEU 63 1HD1 LEU 63 8.624 6.055 1.900 451 HD12 LEU 63 2HD1 LEU 63 8.838 4.843 3.162 452 HD13 LEU 63 3HD1 LEU 63 10.217 5.794 2.610 453 HD21 LEU 63 1HD2 LEU 63 8.029 6.976 5.837 454 HD22 LEU 63 2HD2 LEU 63 9.028 5.551 5.550 455 HD23 LEU 63 3HD2 LEU 63 7.406 5.644 4.863 456 H GLU 64 H GLU 64 11.395 10.040 3.529 457 HA GLU 64 HA GLU 64 13.900 10.012 4.598 458 HB2 GLU 64 1HB GLU 64 12.483 12.110 2.977 459 HB3 GLU 64 2HB GLU 64 14.155 12.328 3.475 460 HG2 GLU 64 1HG GLU 64 14.604 10.070 2.394 461 HG3 GLU 64 2HG GLU 64 13.010 10.236 1.659 462 H LYS 65 H LYS 65 11.302 12.285 5.372 463 HA LYS 65 HA LYS 65 12.820 13.920 7.110 464 HB2 LYS 65 1HB LYS 65 9.929 13.517 6.536 465 HB3 LYS 65 2HB LYS 65 10.347 14.311 8.048 466 HG2 LYS 65 1HG LYS 65 11.560 16.027 6.854 467 HG3 LYS 65 2HG LYS 65 11.261 15.205 5.321 468 HD2 LYS 65 1HD LYS 65 9.013 16.098 7.102 469 HD3 LYS 65 2HD LYS 65 9.753 17.185 5.924 470 HE2 LYS 65 1HE LYS 65 9.135 15.763 4.113 471 HE3 LYS 65 2HE LYS 65 8.633 14.481 5.215 472 HZ1 LYS 65 1HZ LYS 65 6.622 15.366 5.359 473 HZ2 LYS 65 2HZ LYS 65 7.047 16.462 4.143 474 HZ3 LYS 65 3HZ LYS 65 7.238 16.887 5.770 475 H SER 66 H SER 66 10.600 11.213 7.735 476 HA SER 66 HA SER 66 11.494 11.158 10.525 477 HB2 SER 66 1HB SER 66 9.201 9.741 9.148 478 HB3 SER 66 2HB SER 66 9.600 9.575 10.857 479 HG SER 66 HG SER 66 9.223 11.818 11.083 480 H GLY 67 H GLY 67 13.599 10.313 9.945 481 HA2 GLY 67 1HA GLY 67 15.093 8.636 9.325 482 HA3 GLY 67 2HA GLY 67 14.138 7.764 10.515 483 H HIS 68 H HIS 68 13.356 5.887 9.851 484 HA HIS 68 HA HIS 68 12.937 4.132 8.431 485 HB2 HIS 68 1HB HIS 68 11.225 6.332 7.261 486 HB3 HIS 68 2HB HIS 68 11.060 4.629 6.845 487 HD1 HIS 68 1HD HIS 68 8.769 4.254 7.839 488 HD2 HIS 68 2HD HIS 68 11.468 5.868 10.554 489 HE1 HIS 68 1HE HIS 68 7.621 4.143 10.074 490 H GLY 69 H GLY 69 15.342 5.374 7.745 491 HA2 GLY 69 1HA GLY 69 15.315 5.675 4.839 492 HA3 GLY 69 2HA GLY 69 16.678 5.986 5.903 493 H GLN 70 H GLN 70 15.419 3.896 3.642 494 HA GLN 70 HA GLN 70 16.028 1.850 2.856 495 HB2 GLN 70 1HB GLN 70 18.519 2.420 4.472 496 HB3 GLN 70 2HB GLN 70 18.365 1.141 3.275 497 HG2 GLN 70 1HG GLN 70 17.756 3.920 2.434 498 HG3 GLN 70 2HG GLN 70 19.441 3.475 2.695 499 HE21 GLN 70 1HE2 GLN 70 19.789 3.824 0.455 500 HE22 GLN 70 2HE2 GLN 70 19.330 2.630 -0.706 501 H SER 71 H SER 71 14.315 1.733 4.977 502 HA SER 71 HA SER 71 15.322 -0.143 6.939 503 HB2 SER 71 1HB SER 71 13.710 1.567 7.633 504 HB3 SER 71 2HB SER 71 12.527 0.934 6.489 505 HG SER 71 HG SER 71 12.202 -0.784 7.742 506 H GLY 72 H GLY 72 13.016 -0.161 4.242 507 HA2 GLY 72 1HA GLY 72 12.245 -2.874 4.543 508 HA3 GLY 72 2HA GLY 72 12.025 -1.893 3.102 509 HA PRO 73 HA PRO 73 15.250 -3.954 0.970 510 HB2 PRO 73 1HB PRO 73 16.815 -1.982 -0.047 511 HB3 PRO 73 2HB PRO 73 15.189 -2.326 -0.651 512 HG2 PRO 73 1HG PRO 73 16.091 -0.206 1.261 513 HG3 PRO 73 2HG PRO 73 14.947 -0.082 -0.088 514 HD2 PRO 73 1HD PRO 73 14.144 -0.311 2.487 515 HD3 PRO 73 2HD PRO 73 13.215 -0.987 1.134 516 H SER 74 H SER 74 16.008 -2.137 3.701 517 HA SER 74 HA SER 74 17.804 -2.009 5.103 518 HB2 SER 74 1HB SER 74 18.330 -4.774 3.984 519 HB3 SER 74 2HB SER 74 18.977 -4.130 5.493 520 HG SER 74 HG SER 74 16.277 -4.701 4.854 521 H SER 75 H SER 75 18.250 -0.749 2.658 522 HA SER 75 HA SER 75 19.866 -0.127 1.137 523 HB2 SER 75 1HB SER 75 20.449 1.030 3.267 524 HB3 SER 75 2HB SER 75 21.552 -0.294 3.647 525 HG SER 75 HG SER 75 22.767 1.266 2.674 526 H GLY 76 H GLY 76 19.505 -2.835 0.884 527 HA2 GLY 76 1HA GLY 76 20.568 -4.853 0.418 528 HA3 GLY 76 2HA GLY 76 21.505 -3.781 -0.612 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.445 -17.889 12.434 2 HA2 GLY 1 1HA GLY 1 6.603 -20.033 14.068 3 HA3 GLY 1 2HA GLY 1 6.056 -20.186 12.405 4 H SER 2 H SER 2 7.646 -20.484 11.010 5 HA SER 2 HA SER 2 10.348 -19.635 11.714 6 HB2 SER 2 1HB SER 2 9.267 -21.474 9.574 7 HB3 SER 2 2HB SER 2 10.963 -21.000 9.660 8 HG SER 2 HG SER 2 9.599 -22.152 11.854 9 H SER 3 H SER 3 10.831 -17.610 11.165 10 HA SER 3 HA SER 3 10.731 -16.812 8.408 11 HB2 SER 3 1HB SER 3 8.418 -16.286 9.574 12 HB3 SER 3 2HB SER 3 9.308 -14.911 10.227 13 HG SER 3 HG SER 3 8.718 -14.071 8.370 14 H GLY 4 H GLY 4 11.882 -14.819 8.007 15 HA2 GLY 4 1HA GLY 4 13.915 -14.351 10.065 16 HA3 GLY 4 2HA GLY 4 14.046 -13.921 8.366 17 H SER 5 H SER 5 14.627 -12.221 10.591 18 HA SER 5 HA SER 5 12.810 -10.472 11.514 19 HB2 SER 5 1HB SER 5 14.513 -8.732 11.467 20 HB3 SER 5 2HB SER 5 15.261 -10.278 11.867 21 HG SER 5 HG SER 5 16.406 -9.035 10.261 22 H SER 6 H SER 6 11.519 -8.852 10.801 23 HA SER 6 HA SER 6 11.679 -8.065 7.981 24 HB2 SER 6 1HB SER 6 9.958 -9.909 8.335 25 HB3 SER 6 2HB SER 6 9.043 -8.743 9.290 26 HG SER 6 HG SER 6 9.282 -8.966 6.590 27 H GLY 7 H GLY 7 10.471 -6.085 7.499 28 HA2 GLY 7 1HA GLY 7 10.508 -4.286 9.827 29 HA3 GLY 7 2HA GLY 7 10.680 -3.789 8.150 30 H SER 8 H SER 8 8.384 -5.049 10.522 31 HA SER 8 HA SER 8 6.131 -4.355 8.823 32 HB2 SER 8 1HB SER 8 6.353 -5.650 11.541 33 HB3 SER 8 2HB SER 8 4.802 -5.201 10.832 34 HG SER 8 HG SER 8 5.962 -6.491 8.942 35 H GLU 9 H GLU 9 7.671 -2.140 9.466 36 HA GLU 9 HA GLU 9 6.269 -0.752 11.619 37 HB2 GLU 9 1HB GLU 9 8.794 -0.645 11.295 38 HB3 GLU 9 2HB GLU 9 8.473 0.355 9.884 39 HG2 GLU 9 1HG GLU 9 8.859 1.924 11.517 40 HG3 GLU 9 2HG GLU 9 7.100 1.806 11.527 41 H ALA 10 H ALA 10 6.416 -0.911 8.162 42 HA ALA 10 HA ALA 10 5.379 1.579 7.455 43 HB1 ALA 10 1HB ALA 10 4.580 0.438 5.395 44 HB2 ALA 10 2HB ALA 10 6.270 0.111 5.780 45 HB3 ALA 10 3HB ALA 10 5.037 -1.103 6.122 46 H TRP 11 H TRP 11 3.841 -1.181 8.879 47 HA TRP 11 HA TRP 11 1.193 -0.831 8.164 48 HB2 TRP 11 1HB TRP 11 2.556 -1.935 10.583 49 HB3 TRP 11 2HB TRP 11 0.812 -1.691 10.637 50 HD1 TRP 11 HD TRP 11 3.171 -4.313 9.909 51 HE1 TRP 11 1HE TRP 11 2.150 -6.139 8.410 52 HE3 TRP 11 3HE TRP 11 -0.955 -1.789 8.250 53 HZ2 TRP 11 2HZ TRP 11 -0.104 -6.466 6.743 54 HZ3 TRP 11 3HZ TRP 11 -2.492 -2.930 6.705 55 HH2 TRP 11 HH TRP 11 -2.074 -5.220 5.968 56 H GLU 12 H GLU 12 3.140 0.988 10.426 57 HA GLU 12 HA GLU 12 1.152 2.292 11.874 58 HB2 GLU 12 1HB GLU 12 3.829 3.388 10.996 59 HB3 GLU 12 2HB GLU 12 2.828 4.045 12.283 60 HG2 GLU 12 1HG GLU 12 3.852 1.226 12.328 61 HG3 GLU 12 2HG GLU 12 4.777 2.583 12.970 62 H TYR 13 H TYR 13 1.950 2.550 8.576 63 HA TYR 13 HA TYR 13 0.517 5.110 8.344 64 HB2 TYR 13 1HB TYR 13 2.227 3.800 6.228 65 HB3 TYR 13 2HB TYR 13 1.618 5.451 6.244 66 HD1 TYR 13 2HD TYR 13 4.127 3.156 7.612 67 HD2 TYR 13 1HD TYR 13 2.682 7.158 7.597 68 HE1 TYR 13 2HE TYR 13 6.201 3.903 8.702 69 HE2 TYR 13 1HE TYR 13 4.752 7.916 8.686 70 HH TYR 13 HH TYR 13 6.943 7.285 9.118 71 H PHE 14 H PHE 14 -0.504 2.244 8.574 72 HA PHE 14 HA PHE 14 -2.529 2.517 6.517 73 HB2 PHE 14 1HB PHE 14 -0.757 0.073 6.694 74 HB3 PHE 14 2HB PHE 14 -2.256 0.145 5.775 75 HD1 PHE 14 1HD PHE 14 1.215 1.288 5.966 76 HD2 PHE 14 2HD PHE 14 -2.390 1.361 3.703 77 HE1 PHE 14 1HE PHE 14 2.450 2.177 4.033 78 HE2 PHE 14 2HE PHE 14 -1.160 2.249 1.766 79 HZ PHE 14 HZ PHE 14 1.264 2.657 1.929 80 H HIS 15 H HIS 15 -4.394 1.185 6.895 81 HA HIS 15 HA HIS 15 -4.504 -0.194 9.469 82 HB2 HIS 15 1HB HIS 15 -6.101 1.133 10.431 83 HB3 HIS 15 2HB HIS 15 -5.280 2.357 9.468 84 HD1 HIS 15 1HD HIS 15 -8.162 -0.073 8.884 85 HD2 HIS 15 2HD HIS 15 -7.056 3.856 8.110 86 HE1 HIS 15 1HE HIS 15 -10.113 0.948 7.670 87 H LEU 16 H LEU 16 -5.604 -2.041 9.326 88 HA LEU 16 HA LEU 16 -6.733 -2.888 6.868 89 HB2 LEU 16 1HB LEU 16 -6.891 -4.083 9.630 90 HB3 LEU 16 2HB LEU 16 -7.451 -4.883 8.163 91 HG LEU 16 HG LEU 16 -4.592 -4.046 8.625 92 HD11 LEU 16 1HD1 LEU 16 -5.595 -6.859 8.823 93 HD12 LEU 16 2HD1 LEU 16 -5.589 -5.799 10.232 94 HD13 LEU 16 3HD1 LEU 16 -4.078 -6.171 9.401 95 HD21 LEU 16 1HD2 LEU 16 -5.805 -4.603 6.286 96 HD22 LEU 16 2HD2 LEU 16 -5.326 -6.227 6.783 97 HD23 LEU 16 3HD2 LEU 16 -4.110 -4.959 6.620 98 H ALA 17 H ALA 17 -8.827 -3.090 6.210 99 HA ALA 17 HA ALA 17 -10.798 -1.548 7.707 100 HB1 ALA 17 1HB ALA 17 -12.172 -1.855 5.615 101 HB2 ALA 17 2HB ALA 17 -10.671 -0.949 5.420 102 HB3 ALA 17 3HB ALA 17 -10.759 -2.632 4.901 103 HA PRO 18 HA PRO 18 -13.003 -5.015 9.264 104 HB2 PRO 18 1HB PRO 18 -15.518 -3.996 9.348 105 HB3 PRO 18 2HB PRO 18 -14.246 -3.511 10.476 106 HG2 PRO 18 1HG PRO 18 -15.218 -2.125 8.007 107 HG3 PRO 18 2HG PRO 18 -14.816 -1.437 9.592 108 HD2 PRO 18 1HD PRO 18 -13.121 -1.326 7.483 109 HD3 PRO 18 2HD PRO 18 -12.552 -1.444 9.160 110 H ALA 19 H ALA 19 -14.268 -6.739 8.616 111 HA ALA 19 HA ALA 19 -15.263 -6.624 5.844 112 HB1 ALA 19 1HB ALA 19 -14.634 -9.242 7.085 113 HB2 ALA 19 2HB ALA 19 -14.442 -8.700 5.417 114 HB3 ALA 19 3HB ALA 19 -13.280 -8.201 6.645 115 H ARG 20 H ARG 20 -17.374 -6.044 6.300 116 HA ARG 20 HA ARG 20 -18.911 -7.832 8.049 117 HB2 ARG 20 1HB ARG 20 -19.438 -5.052 7.011 118 HB3 ARG 20 2HB ARG 20 -20.693 -6.022 7.771 119 HG2 ARG 20 1HG ARG 20 -19.281 -6.184 9.797 120 HG3 ARG 20 2HG ARG 20 -18.119 -5.100 9.029 121 HD2 ARG 20 1HD ARG 20 -19.594 -3.884 10.546 122 HD3 ARG 20 2HD ARG 20 -19.828 -3.366 8.877 123 HE ARG 20 HE ARG 20 -21.730 -4.757 10.556 124 HH11 ARG 20 2HH1 ARG 20 -20.836 -3.806 7.328 125 HH12 ARG 20 1HH1 ARG 20 -22.441 -3.965 6.697 126 HH21 ARG 20 2HH2 ARG 20 -23.847 -4.970 9.736 127 HH22 ARG 20 1HH2 ARG 20 -24.154 -4.626 8.067 128 H ALA 21 H ALA 21 -18.973 -6.351 4.826 129 HA ALA 21 HA ALA 21 -20.622 -8.604 3.911 130 HB1 ALA 21 1HB ALA 21 -22.209 -7.303 2.903 131 HB2 ALA 21 2HB ALA 21 -21.825 -6.291 4.296 132 HB3 ALA 21 3HB ALA 21 -21.123 -5.925 2.720 133 H GLY 22 H GLY 22 -18.511 -9.389 3.196 134 HA2 GLY 22 1HA GLY 22 -18.078 -8.997 0.464 135 HA3 GLY 22 2HA GLY 22 -16.916 -8.000 1.326 136 H HIS 23 H HIS 23 -15.113 -9.144 0.687 137 HA HIS 23 HA HIS 23 -14.957 -11.997 1.064 138 HB2 HIS 23 1HB HIS 23 -12.912 -9.930 0.244 139 HB3 HIS 23 2HB HIS 23 -12.549 -11.647 0.386 140 HD1 HIS 23 1HD HIS 23 -13.138 -13.108 -1.569 141 HD2 HIS 23 2HD HIS 23 -14.808 -9.314 -1.848 142 HE1 HIS 23 1HE HIS 23 -14.124 -12.975 -3.879 143 H HIS 24 H HIS 24 -12.832 -12.789 2.191 144 HA HIS 24 HA HIS 24 -13.113 -12.502 4.915 145 HB2 HIS 24 1HB HIS 24 -11.263 -13.857 5.129 146 HB3 HIS 24 2HB HIS 24 -11.682 -14.167 3.447 147 HD1 HIS 24 1HD HIS 24 -8.987 -12.910 5.590 148 HD2 HIS 24 2HD HIS 24 -9.990 -12.773 1.561 149 HE1 HIS 24 1HE HIS 24 -6.889 -12.200 4.399 150 HA PRO 25 HA PRO 25 -11.308 -8.675 6.082 151 HB2 PRO 25 1HB PRO 25 -10.290 -9.303 8.519 152 HB3 PRO 25 2HB PRO 25 -12.023 -9.130 8.218 153 HG2 PRO 25 1HG PRO 25 -10.368 -11.619 8.383 154 HG3 PRO 25 2HG PRO 25 -11.973 -11.295 9.065 155 HD2 PRO 25 1HD PRO 25 -11.618 -12.702 6.778 156 HD3 PRO 25 2HD PRO 25 -13.041 -11.678 7.058 157 H ASN 26 H ASN 26 -9.240 -7.672 6.850 158 HA ASN 26 HA ASN 26 -7.018 -7.276 6.577 159 HB2 ASN 26 1HB ASN 26 -6.906 -10.276 6.938 160 HB3 ASN 26 2HB ASN 26 -5.478 -9.247 6.866 161 HD21 ASN 26 1HD2 ASN 26 -4.761 -9.538 8.908 162 HD22 ASN 26 2HD2 ASN 26 -5.628 -9.042 10.318 163 H GLN 27 H GLN 27 -8.604 -7.508 4.249 164 HA GLN 27 HA GLN 27 -6.963 -8.946 2.315 165 HB2 GLN 27 1HB GLN 27 -8.713 -8.317 0.695 166 HB3 GLN 27 2HB GLN 27 -9.370 -9.165 2.088 167 HG2 GLN 27 1HG GLN 27 -9.985 -6.950 3.053 168 HG3 GLN 27 2HG GLN 27 -9.489 -6.213 1.530 169 HE21 GLN 27 1HE2 GLN 27 -10.542 -7.192 -0.437 170 HE22 GLN 27 2HE2 GLN 27 -12.227 -7.553 -0.317 171 H TYR 28 H TYR 28 -8.175 -5.637 2.823 172 HA TYR 28 HA TYR 28 -5.891 -4.664 1.233 173 HB2 TYR 28 1HB TYR 28 -8.743 -3.756 1.351 174 HB3 TYR 28 2HB TYR 28 -7.480 -2.592 0.966 175 HD1 TYR 28 2HD TYR 28 -8.221 -6.126 -0.027 176 HD2 TYR 28 1HD TYR 28 -7.327 -2.162 -1.287 177 HE1 TYR 28 2HE TYR 28 -8.259 -6.869 -2.371 178 HE2 TYR 28 1HE TYR 28 -7.364 -2.894 -3.635 179 HH TYR 28 HH TYR 28 -8.181 -6.233 -4.506 180 H ALA 29 H ALA 29 -4.913 -2.692 1.900 181 HA ALA 29 HA ALA 29 -5.308 -2.115 4.763 182 HB1 ALA 29 1HB ALA 29 -3.121 -3.115 4.174 183 HB2 ALA 29 2HB ALA 29 -2.794 -1.719 3.146 184 HB3 ALA 29 3HB ALA 29 -2.981 -1.508 4.887 185 H THR 30 H THR 30 -5.993 -0.152 5.301 186 HA THR 30 HA THR 30 -6.203 1.889 3.231 187 HB THR 30 HB THR 30 -7.274 1.967 6.057 188 HG1 THR 30 1HG THR 30 -8.197 0.251 4.835 189 HG21 THR 30 1HG2 THR 30 -8.265 3.935 5.549 190 HG22 THR 30 2HG2 THR 30 -8.569 3.469 3.876 191 HG23 THR 30 3HG2 THR 30 -6.974 4.048 4.354 192 H CYS 31 H CYS 31 -4.468 3.142 2.974 193 HA CYS 31 HA CYS 31 -2.419 3.573 4.792 194 HB2 CYS 31 1HB CYS 31 -2.388 4.090 2.326 195 HB3 CYS 31 2HB CYS 31 -3.305 5.550 2.685 196 H ARG 32 H ARG 32 -2.068 4.946 6.447 197 HA ARG 32 HA ARG 32 -4.338 6.523 7.372 198 HB2 ARG 32 1HB ARG 32 -1.712 5.902 8.737 199 HB3 ARG 32 2HB ARG 32 -3.091 6.704 9.477 200 HG2 ARG 32 1HG ARG 32 -4.429 4.686 9.194 201 HG3 ARG 32 2HG ARG 32 -3.056 3.880 8.430 202 HD2 ARG 32 1HD ARG 32 -1.759 4.216 10.512 203 HD3 ARG 32 2HD ARG 32 -3.197 4.908 11.262 204 HE ARG 32 HE ARG 32 -3.520 2.247 10.169 205 HH11 ARG 32 2HH1 ARG 32 -2.788 4.187 12.965 206 HH12 ARG 32 1HH1 ARG 32 -3.190 2.940 14.098 207 HH21 ARG 32 2HH2 ARG 32 -4.053 0.596 11.650 208 HH22 ARG 32 1HH2 ARG 32 -3.909 0.897 13.349 209 H LEU 33 H LEU 33 -1.765 7.046 5.414 210 HA LEU 33 HA LEU 33 -1.105 9.705 6.405 211 HB2 LEU 33 1HB LEU 33 -0.069 8.053 4.114 212 HB3 LEU 33 2HB LEU 33 0.431 9.719 4.403 213 HG LEU 33 HG LEU 33 0.820 7.475 6.380 214 HD11 LEU 33 1HD1 LEU 33 2.084 7.047 4.328 215 HD12 LEU 33 2HD1 LEU 33 3.146 7.452 5.676 216 HD13 LEU 33 3HD1 LEU 33 2.799 8.656 4.435 217 HD21 LEU 33 1HD2 LEU 33 2.465 9.930 6.386 218 HD22 LEU 33 2HD2 LEU 33 1.847 8.970 7.731 219 HD23 LEU 33 3HD2 LEU 33 0.785 10.105 6.896 220 H CYS 34 H CYS 34 -2.394 8.228 3.433 221 HA CYS 34 HA CYS 34 -3.600 10.836 2.772 222 HB2 CYS 34 1HB CYS 34 -3.500 10.185 0.421 223 HB3 CYS 34 2HB CYS 34 -1.896 10.116 1.144 224 H GLY 35 H GLY 35 -4.076 7.340 2.845 225 HA2 GLY 35 1HA GLY 35 -6.202 6.481 3.625 226 HA3 GLY 35 2HA GLY 35 -6.984 7.835 2.822 227 H ARG 36 H ARG 36 -4.417 6.095 1.251 228 HA ARG 36 HA ARG 36 -6.262 5.290 -0.841 229 HB2 ARG 36 1HB ARG 36 -3.280 5.406 -0.576 230 HB3 ARG 36 2HB ARG 36 -4.004 4.423 -1.841 231 HG2 ARG 36 1HG ARG 36 -4.913 7.236 -1.565 232 HG3 ARG 36 2HG ARG 36 -3.316 6.932 -2.252 233 HD2 ARG 36 1HD ARG 36 -4.692 6.952 -4.121 234 HD3 ARG 36 2HD ARG 36 -4.539 5.233 -3.760 235 HE ARG 36 HE ARG 36 -6.779 5.169 -3.300 236 HH11 ARG 36 2HH1 ARG 36 -5.714 8.483 -3.315 237 HH12 ARG 36 1HH1 ARG 36 -7.315 9.135 -3.188 238 HH21 ARG 36 2HH2 ARG 36 -8.891 6.014 -3.133 239 HH22 ARG 36 1HH2 ARG 36 -9.121 7.729 -3.083 240 H GLN 37 H GLN 37 -6.747 3.210 -1.416 241 HA GLN 37 HA GLN 37 -6.356 1.200 0.622 242 HB2 GLN 37 1HB GLN 37 -7.793 1.011 -2.031 243 HB3 GLN 37 2HB GLN 37 -7.873 -0.166 -0.726 244 HG2 GLN 37 1HG GLN 37 -8.739 2.691 -0.401 245 HG3 GLN 37 2HG GLN 37 -9.825 1.409 -0.934 246 HE21 GLN 37 1HE2 GLN 37 -9.330 3.167 1.597 247 HE22 GLN 37 2HE2 GLN 37 -9.540 2.033 2.883 248 H VAL 38 H VAL 38 -4.517 0.094 0.672 249 HA VAL 38 HA VAL 38 -3.344 -0.786 -1.886 250 HB VAL 38 HB VAL 38 -1.903 -0.181 0.700 251 HG11 VAL 38 1HG1 VAL 38 -1.165 -2.037 -1.145 252 HG12 VAL 38 2HG1 VAL 38 -0.349 -0.595 -1.753 253 HG13 VAL 38 3HG1 VAL 38 -0.047 -1.153 -0.107 254 HG21 VAL 38 1HG2 VAL 38 -2.461 1.374 -1.733 255 HG22 VAL 38 2HG2 VAL 38 -2.087 1.918 -0.098 256 HG23 VAL 38 3HG2 VAL 38 -0.787 1.416 -1.179 257 H SER 39 H SER 39 -3.749 -2.874 -2.183 258 HA SER 39 HA SER 39 -4.031 -4.651 0.113 259 HB2 SER 39 1HB SER 39 -4.792 -6.309 -1.600 260 HB3 SER 39 2HB SER 39 -5.760 -4.835 -1.567 261 HG SER 39 HG SER 39 -4.141 -5.839 -3.550 262 H ARG 40 H ARG 40 -2.730 -6.400 0.520 263 HA ARG 40 HA ARG 40 -0.060 -6.266 -0.565 264 HB2 ARG 40 1HB ARG 40 -1.135 -8.335 1.349 265 HB3 ARG 40 2HB ARG 40 0.538 -7.842 1.120 266 HG2 ARG 40 1HG ARG 40 0.303 -5.957 2.374 267 HG3 ARG 40 2HG ARG 40 -1.408 -5.776 1.981 268 HD2 ARG 40 1HD ARG 40 -1.495 -6.419 4.196 269 HD3 ARG 40 2HD ARG 40 -1.682 -7.961 3.362 270 HE ARG 40 HE ARG 40 1.046 -7.324 3.995 271 HH11 ARG 40 2HH1 ARG 40 -1.910 -8.729 5.183 272 HH12 ARG 40 1HH1 ARG 40 -1.117 -9.725 6.358 273 HH21 ARG 40 2HH2 ARG 40 2.101 -8.630 5.539 274 HH22 ARG 40 1HH2 ARG 40 1.164 -9.668 6.560 275 H GLY 41 H GLY 41 -2.740 -8.592 -0.583 276 HA2 GLY 41 1HA GLY 41 -3.243 -10.277 -2.064 277 HA3 GLY 41 2HA GLY 41 -2.053 -9.579 -3.154 278 HA PRO 42 HA PRO 42 -0.496 -13.724 -1.800 279 HB2 PRO 42 1HB PRO 42 0.265 -14.507 -4.286 280 HB3 PRO 42 2HB PRO 42 -1.375 -14.736 -3.666 281 HG2 PRO 42 1HG PRO 42 -0.316 -12.603 -5.481 282 HG3 PRO 42 2HG PRO 42 -1.835 -13.512 -5.589 283 HD2 PRO 42 1HD PRO 42 -1.712 -10.993 -4.604 284 HD3 PRO 42 2HD PRO 42 -2.884 -12.191 -4.018 285 H GLY 43 H GLY 43 0.803 -11.105 -3.714 286 HA2 GLY 43 1HA GLY 43 3.540 -12.057 -3.430 287 HA3 GLY 43 2HA GLY 43 3.022 -10.607 -4.277 288 H VAL 44 H VAL 44 2.341 -11.606 -0.944 289 HA VAL 44 HA VAL 44 3.293 -9.015 -0.014 290 HB VAL 44 HB VAL 44 1.134 -9.853 0.816 291 HG11 VAL 44 1HG1 VAL 44 2.000 -12.285 0.800 292 HG12 VAL 44 2HG1 VAL 44 2.595 -11.918 2.420 293 HG13 VAL 44 3HG1 VAL 44 0.872 -11.795 2.064 294 HG21 VAL 44 1HG2 VAL 44 1.420 -8.889 2.836 295 HG22 VAL 44 2HG2 VAL 44 2.762 -9.948 3.271 296 HG23 VAL 44 3HG2 VAL 44 3.040 -8.558 2.222 297 H ASN 45 H ASN 45 4.087 -12.427 0.242 298 HA ASN 45 HA ASN 45 5.765 -12.687 2.301 299 HB2 ASN 45 1HB ASN 45 6.255 -13.588 -0.541 300 HB3 ASN 45 2HB ASN 45 7.240 -14.117 0.820 301 HD21 ASN 45 1HD2 ASN 45 4.321 -14.516 -0.896 302 HD22 ASN 45 2HD2 ASN 45 3.650 -15.773 0.081 303 H VAL 46 H VAL 46 6.497 -10.885 -0.639 304 HA VAL 46 HA VAL 46 9.150 -10.379 -0.477 305 HB VAL 46 HB VAL 46 7.050 -8.271 -1.004 306 HG11 VAL 46 1HG1 VAL 46 9.993 -8.407 -1.608 307 HG12 VAL 46 2HG1 VAL 46 8.894 -7.317 -2.455 308 HG13 VAL 46 3HG1 VAL 46 9.117 -7.167 -0.711 309 HG21 VAL 46 1HG2 VAL 46 6.516 -9.771 -2.622 310 HG22 VAL 46 2HG2 VAL 46 7.869 -8.989 -3.440 311 HG23 VAL 46 3HG2 VAL 46 8.111 -10.524 -2.607 312 H GLY 47 H GLY 47 10.333 -9.999 1.285 313 HA2 GLY 47 1HA GLY 47 9.691 -9.130 3.739 314 HA3 GLY 47 2HA GLY 47 11.217 -8.690 2.988 315 H THR 48 H THR 48 10.119 -7.022 0.945 316 HA THR 48 HA THR 48 9.771 -4.619 2.500 317 HB THR 48 HB THR 48 9.842 -5.035 -0.494 318 HG1 THR 48 1HG THR 48 11.765 -4.368 1.467 319 HG21 THR 48 1HG2 THR 48 9.654 -2.547 1.184 320 HG22 THR 48 2HG2 THR 48 8.658 -3.026 -0.191 321 HG23 THR 48 3HG2 THR 48 10.329 -2.523 -0.444 322 H THR 49 H THR 49 7.698 -5.279 3.446 323 HA THR 49 HA THR 49 5.349 -5.924 2.386 324 HB THR 49 HB THR 49 4.463 -3.819 3.880 325 HG1 THR 49 1HG THR 49 6.173 -4.051 5.694 326 HG21 THR 49 1HG2 THR 49 5.295 -6.610 4.522 327 HG22 THR 49 2HG2 THR 49 3.688 -5.885 4.528 328 HG23 THR 49 3HG2 THR 49 4.814 -5.545 5.841 329 H ALA 50 H ALA 50 3.890 -5.204 0.948 330 HA ALA 50 HA ALA 50 4.478 -3.341 -0.990 331 HB1 ALA 50 1HB ALA 50 2.762 -4.847 -1.482 332 HB2 ALA 50 2HB ALA 50 1.858 -4.436 -0.024 333 HB3 ALA 50 3HB ALA 50 1.946 -3.288 -1.360 334 H LEU 51 H LEU 51 3.523 -2.765 2.226 335 HA LEU 51 HA LEU 51 2.155 -0.324 1.972 336 HB2 LEU 51 1HB LEU 51 3.965 -1.081 4.251 337 HB3 LEU 51 2HB LEU 51 2.572 -0.002 4.291 338 HG LEU 51 HG LEU 51 2.352 -2.955 3.741 339 HD11 LEU 51 1HD1 LEU 51 1.559 -3.079 6.117 340 HD12 LEU 51 2HD1 LEU 51 2.226 -1.464 6.352 341 HD13 LEU 51 3HD1 LEU 51 3.289 -2.802 5.917 342 HD21 LEU 51 1HD2 LEU 51 0.484 -1.574 2.981 343 HD22 LEU 51 2HD2 LEU 51 0.331 -0.884 4.597 344 HD23 LEU 51 3HD2 LEU 51 0.014 -2.600 4.336 345 H TRP 52 H TRP 52 5.603 -1.046 2.366 346 HA TRP 52 HA TRP 52 6.504 1.607 2.549 347 HB2 TRP 52 1HB TRP 52 7.884 -0.893 1.559 348 HB3 TRP 52 2HB TRP 52 8.707 0.648 1.786 349 HD1 TRP 52 HD TRP 52 7.528 -2.387 3.661 350 HE1 TRP 52 1HE TRP 52 8.153 -2.163 6.148 351 HE3 TRP 52 3HE TRP 52 8.965 2.519 3.698 352 HZ2 TRP 52 2HZ TRP 52 9.126 -0.170 7.894 353 HZ3 TRP 52 3HZ TRP 52 9.729 3.508 5.818 354 HH2 TRP 52 HH TRP 52 9.806 2.190 7.871 355 H LYS 53 H LYS 53 6.528 -0.570 -0.280 356 HA LYS 53 HA LYS 53 7.481 1.013 -2.234 357 HB2 LYS 53 1HB LYS 53 5.190 -0.925 -2.260 358 HB3 LYS 53 2HB LYS 53 5.628 -0.054 -3.724 359 HG2 LYS 53 1HG LYS 53 7.632 -1.148 -3.942 360 HG3 LYS 53 2HG LYS 53 7.748 -1.506 -2.217 361 HD2 LYS 53 1HD LYS 53 5.999 -3.173 -2.416 362 HD3 LYS 53 2HD LYS 53 5.773 -2.769 -4.119 363 HE2 LYS 53 1HE LYS 53 8.177 -3.417 -4.479 364 HE3 LYS 53 2HE LYS 53 8.184 -4.032 -2.827 365 HZ1 LYS 53 1HZ LYS 53 7.609 -5.558 -4.879 366 HZ2 LYS 53 2HZ LYS 53 6.054 -4.955 -4.601 367 HZ3 LYS 53 3HZ LYS 53 6.872 -5.782 -3.373 368 H HIS 54 H HIS 54 4.273 1.264 -0.797 369 HA HIS 54 HA HIS 54 3.403 3.333 -2.591 370 HB2 HIS 54 1HB HIS 54 1.738 1.879 -1.621 371 HB3 HIS 54 2HB HIS 54 2.258 2.298 0.008 372 HD1 HIS 54 1HD HIS 54 0.592 3.886 -3.001 373 HD2 HIS 54 2HD HIS 54 0.979 4.451 1.097 374 HE1 HIS 54 1HE HIS 54 -0.983 5.761 -2.429 375 H LEU 55 H LEU 55 4.676 3.185 0.699 376 HA LEU 55 HA LEU 55 4.303 5.898 1.352 377 HB2 LEU 55 1HB LEU 55 6.302 3.874 2.341 378 HB3 LEU 55 2HB LEU 55 6.104 5.480 3.041 379 HG LEU 55 HG LEU 55 3.811 3.548 2.899 380 HD11 LEU 55 1HD1 LEU 55 5.379 2.259 4.065 381 HD12 LEU 55 2HD1 LEU 55 4.435 3.057 5.323 382 HD13 LEU 55 3HD1 LEU 55 6.039 3.661 4.908 383 HD21 LEU 55 1HD2 LEU 55 4.186 5.448 5.122 384 HD22 LEU 55 2HD2 LEU 55 2.727 5.007 4.235 385 HD23 LEU 55 3HD2 LEU 55 3.866 6.162 3.541 386 H LYS 56 H LYS 56 7.150 4.177 0.088 387 HA LYS 56 HA LYS 56 8.687 6.578 -0.195 388 HB2 LYS 56 1HB LYS 56 9.224 3.930 -1.535 389 HB3 LYS 56 2HB LYS 56 10.383 5.193 -1.146 390 HG2 LYS 56 1HG LYS 56 10.495 4.607 1.059 391 HG3 LYS 56 2HG LYS 56 8.862 3.937 1.078 392 HD2 LYS 56 1HD LYS 56 10.036 1.989 1.129 393 HD3 LYS 56 2HD LYS 56 9.976 2.217 -0.620 394 HE2 LYS 56 1HE LYS 56 12.225 3.454 0.878 395 HE3 LYS 56 2HE LYS 56 12.243 1.705 0.653 396 HZ1 LYS 56 1HZ LYS 56 12.000 2.083 -1.746 397 HZ2 LYS 56 2HZ LYS 56 13.418 2.773 -1.134 398 HZ3 LYS 56 3HZ LYS 56 12.087 3.753 -1.492 399 H SER 57 H SER 57 6.164 5.269 -1.947 400 HA SER 57 HA SER 57 7.071 6.126 -4.561 401 HB2 SER 57 1HB SER 57 5.706 4.211 -4.664 402 HB3 SER 57 2HB SER 57 4.536 4.875 -3.523 403 HG SER 57 HG SER 57 3.625 6.007 -5.086 404 H MET 58 H MET 58 4.739 7.168 -2.114 405 HA MET 58 HA MET 58 4.537 9.746 -3.527 406 HB2 MET 58 1HB MET 58 2.252 9.955 -2.888 407 HB3 MET 58 2HB MET 58 2.439 8.352 -3.588 408 HG2 MET 58 1HG MET 58 2.118 7.288 -1.595 409 HG3 MET 58 2HG MET 58 2.713 8.648 -0.647 410 HE1 MET 58 1HE MET 58 0.393 9.354 -3.525 411 HE2 MET 58 2HE MET 58 -0.360 7.801 -3.160 412 HE3 MET 58 3HE MET 58 -1.239 9.301 -2.859 413 H HIS 59 H HIS 59 4.816 8.052 -0.485 414 HA HIS 59 HA HIS 59 4.973 10.582 0.980 415 HB2 HIS 59 1HB HIS 59 4.918 7.732 1.992 416 HB3 HIS 59 2HB HIS 59 4.937 9.171 3.007 417 HD1 HIS 59 1HD HIS 59 2.777 10.837 2.501 418 HD2 HIS 59 2HD HIS 59 2.425 6.824 1.484 419 HE1 HIS 59 1HE HIS 59 0.308 10.410 2.297 420 H ARG 60 H ARG 60 7.057 9.627 -0.887 421 HA ARG 60 HA ARG 60 9.278 8.565 0.412 422 HB2 ARG 60 1HB ARG 60 9.219 8.757 -1.995 423 HB3 ARG 60 2HB ARG 60 9.127 10.511 -1.894 424 HG2 ARG 60 1HG ARG 60 11.403 10.259 -0.633 425 HG3 ARG 60 2HG ARG 60 11.455 8.706 -1.469 426 HD2 ARG 60 1HD ARG 60 10.868 11.244 -2.951 427 HD3 ARG 60 2HD ARG 60 12.527 10.761 -2.599 428 HE ARG 60 HE ARG 60 10.944 8.712 -3.859 429 HH11 ARG 60 2HH1 ARG 60 13.025 11.458 -4.359 430 HH12 ARG 60 1HH1 ARG 60 13.500 10.972 -5.952 431 HH21 ARG 60 2HH2 ARG 60 11.562 8.062 -5.956 432 HH22 ARG 60 1HH2 ARG 60 12.667 9.041 -6.861 433 H GLU 61 H GLU 61 8.068 11.859 0.291 434 HA GLU 61 HA GLU 61 10.376 13.047 1.480 435 HB2 GLU 61 1HB GLU 61 7.613 13.944 0.810 436 HB3 GLU 61 2HB GLU 61 8.529 14.892 1.972 437 HG2 GLU 61 1HG GLU 61 10.391 14.802 0.151 438 HG3 GLU 61 2HG GLU 61 9.044 14.437 -0.926 439 H GLU 62 H GLU 62 7.361 11.713 2.684 440 HA GLU 62 HA GLU 62 7.568 12.699 5.329 441 HB2 GLU 62 1HB GLU 62 5.436 11.941 4.601 442 HB3 GLU 62 2HB GLU 62 6.076 10.375 4.124 443 HG2 GLU 62 1HG GLU 62 5.017 9.857 6.085 444 HG3 GLU 62 2HG GLU 62 6.663 10.147 6.646 445 H LEU 63 H LEU 63 8.525 9.626 3.836 446 HA LEU 63 HA LEU 63 9.467 8.395 6.184 447 HB2 LEU 63 1HB LEU 63 10.465 7.945 3.378 448 HB3 LEU 63 2HB LEU 63 10.575 6.827 4.736 449 HG LEU 63 HG LEU 63 8.004 7.693 3.414 450 HD11 LEU 63 1HD1 LEU 63 8.627 4.913 3.142 451 HD12 LEU 63 2HD1 LEU 63 9.949 5.885 2.498 452 HD13 LEU 63 3HD1 LEU 63 8.309 6.114 1.890 453 HD21 LEU 63 1HD2 LEU 63 8.109 6.938 5.904 454 HD22 LEU 63 2HD2 LEU 63 8.336 5.331 5.214 455 HD23 LEU 63 3HD2 LEU 63 6.885 6.258 4.831 456 H GLU 64 H GLU 64 11.327 9.939 3.556 457 HA GLU 64 HA GLU 64 13.837 9.805 4.673 458 HB2 GLU 64 1HB GLU 64 14.428 11.729 3.280 459 HB3 GLU 64 2HB GLU 64 13.426 10.589 2.393 460 HG2 GLU 64 1HG GLU 64 11.469 12.011 2.805 461 HG3 GLU 64 2HG GLU 64 12.504 13.166 3.643 462 H LYS 65 H LYS 65 11.391 12.333 5.138 463 HA LYS 65 HA LYS 65 12.834 14.097 6.703 464 HB2 LYS 65 1HB LYS 65 10.572 14.552 5.853 465 HB3 LYS 65 2HB LYS 65 9.911 13.370 6.974 466 HG2 LYS 65 1HG LYS 65 9.507 15.326 8.093 467 HG3 LYS 65 2HG LYS 65 11.064 14.858 8.779 468 HD2 LYS 65 1HD LYS 65 11.329 17.123 8.275 469 HD3 LYS 65 2HD LYS 65 12.092 16.296 6.915 470 HE2 LYS 65 1HE LYS 65 10.064 16.597 5.590 471 HE3 LYS 65 2HE LYS 65 9.282 17.396 6.952 472 HZ1 LYS 65 1HZ LYS 65 10.076 19.065 5.488 473 HZ2 LYS 65 2HZ LYS 65 11.614 18.368 5.399 474 HZ3 LYS 65 3HZ LYS 65 11.092 19.081 6.841 475 H SER 66 H SER 66 10.841 11.357 7.804 476 HA SER 66 HA SER 66 11.553 11.671 10.543 477 HB2 SER 66 1HB SER 66 10.161 9.539 8.953 478 HB3 SER 66 2HB SER 66 10.639 9.222 10.620 479 HG SER 66 HG SER 66 9.195 11.546 9.946 480 H GLY 67 H GLY 67 12.342 9.394 11.602 481 HA2 GLY 67 1HA GLY 67 15.094 9.183 10.722 482 HA3 GLY 67 2HA GLY 67 14.398 8.456 12.163 483 H HIS 68 H HIS 68 13.427 8.147 8.762 484 HA HIS 68 HA HIS 68 13.685 5.236 9.050 485 HB2 HIS 68 1HB HIS 68 12.004 6.974 7.257 486 HB3 HIS 68 2HB HIS 68 12.263 5.269 6.900 487 HD1 HIS 68 1HD HIS 68 9.729 4.807 7.258 488 HD2 HIS 68 2HD HIS 68 11.710 6.234 10.620 489 HE1 HIS 68 1HE HIS 68 8.164 4.400 9.184 490 H GLY 69 H GLY 69 16.038 6.692 8.651 491 HA2 GLY 69 1HA GLY 69 16.768 6.836 5.903 492 HA3 GLY 69 2HA GLY 69 17.871 6.864 7.271 493 H GLN 70 H GLN 70 17.697 4.508 8.442 494 HA GLN 70 HA GLN 70 19.251 2.779 7.080 495 HB2 GLN 70 1HB GLN 70 17.067 2.177 9.067 496 HB3 GLN 70 2HB GLN 70 18.142 0.929 8.451 497 HG2 GLN 70 1HG GLN 70 20.038 2.478 9.238 498 HG3 GLN 70 2HG GLN 70 18.784 3.279 10.184 499 HE21 GLN 70 1HE2 GLN 70 20.336 2.512 11.891 500 HE22 GLN 70 2HE2 GLN 70 20.041 0.951 12.570 501 H SER 71 H SER 71 15.712 2.875 6.935 502 HA SER 71 HA SER 71 15.584 0.704 5.044 503 HB2 SER 71 1HB SER 71 13.765 1.055 6.657 504 HB3 SER 71 2HB SER 71 13.441 2.641 5.957 505 HG SER 71 HG SER 71 12.236 1.658 4.561 506 H GLY 72 H GLY 72 15.462 0.814 2.873 507 HA2 GLY 72 1HA GLY 72 15.846 1.747 0.795 508 HA3 GLY 72 2HA GLY 72 14.467 2.742 1.238 509 HA PRO 73 HA PRO 73 18.338 5.331 2.509 510 HB2 PRO 73 1HB PRO 73 20.774 4.309 1.885 511 HB3 PRO 73 2HB PRO 73 19.962 3.986 3.421 512 HG2 PRO 73 1HG PRO 73 20.114 2.283 0.964 513 HG3 PRO 73 2HG PRO 73 20.280 1.810 2.665 514 HD2 PRO 73 1HD PRO 73 17.990 1.441 1.267 515 HD3 PRO 73 2HD PRO 73 18.001 1.781 3.009 516 H SER 74 H SER 74 18.296 3.472 -0.441 517 HA SER 74 HA SER 74 19.004 5.906 -1.934 518 HB2 SER 74 1HB SER 74 19.910 3.093 -2.595 519 HB3 SER 74 2HB SER 74 20.210 4.524 -3.581 520 HG SER 74 HG SER 74 20.983 4.866 -0.993 521 H SER 75 H SER 75 17.792 2.594 -2.489 522 HA SER 75 HA SER 75 16.416 2.826 -4.771 523 HB2 SER 75 1HB SER 75 15.668 1.422 -2.223 524 HB3 SER 75 2HB SER 75 14.594 1.358 -3.620 525 HG SER 75 HG SER 75 16.270 0.437 -4.813 526 H GLY 76 H GLY 76 14.599 3.764 -5.574 527 HA2 GLY 76 1HA GLY 76 12.982 5.381 -3.707 528 HA3 GLY 76 2HA GLY 76 13.563 6.052 -5.223 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.560 -16.886 18.319 2 HA2 GLY 1 1HA GLY 1 10.756 -17.550 17.880 3 HA3 GLY 1 2HA GLY 1 9.869 -18.851 17.100 4 H SER 2 H SER 2 9.303 -18.529 14.801 5 HA SER 2 HA SER 2 11.601 -17.744 13.328 6 HB2 SER 2 1HB SER 2 8.830 -18.615 12.510 7 HB3 SER 2 2HB SER 2 10.066 -18.181 11.329 8 HG SER 2 HG SER 2 11.404 -19.800 12.423 9 H SER 3 H SER 3 12.165 -15.737 12.853 10 HA SER 3 HA SER 3 10.427 -13.516 13.125 11 HB2 SER 3 1HB SER 3 12.980 -13.552 13.346 12 HB3 SER 3 2HB SER 3 13.021 -13.492 11.584 13 HG SER 3 HG SER 3 12.640 -11.441 11.715 14 H GLY 4 H GLY 4 10.093 -11.891 11.346 15 HA2 GLY 4 1HA GLY 4 10.177 -12.530 8.631 16 HA3 GLY 4 2HA GLY 4 8.624 -13.079 9.244 17 H SER 5 H SER 5 8.026 -11.098 11.070 18 HA SER 5 HA SER 5 7.555 -8.835 9.264 19 HB2 SER 5 1HB SER 5 5.683 -8.264 10.702 20 HB3 SER 5 2HB SER 5 5.580 -9.971 10.273 21 HG SER 5 HG SER 5 6.771 -10.268 12.364 22 H SER 6 H SER 6 10.089 -8.888 10.264 23 HA SER 6 HA SER 6 10.362 -7.428 12.699 24 HB2 SER 6 1HB SER 6 12.727 -7.284 12.124 25 HB3 SER 6 2HB SER 6 12.137 -8.915 11.807 26 HG SER 6 HG SER 6 12.034 -7.067 9.720 27 H GLY 7 H GLY 7 9.678 -6.557 9.461 28 HA2 GLY 7 1HA GLY 7 10.289 -3.731 10.072 29 HA3 GLY 7 2HA GLY 7 10.318 -4.410 8.451 30 H SER 8 H SER 8 7.913 -4.752 11.043 31 HA SER 8 HA SER 8 5.804 -4.142 9.153 32 HB2 SER 8 1HB SER 8 4.289 -4.702 11.037 33 HB3 SER 8 2HB SER 8 5.462 -5.980 10.718 34 HG SER 8 HG SER 8 5.074 -4.549 12.968 35 H GLU 9 H GLU 9 7.699 -2.037 9.976 36 HA GLU 9 HA GLU 9 6.328 -0.249 11.732 37 HB2 GLU 9 1HB GLU 9 8.833 -0.309 11.236 38 HB3 GLU 9 2HB GLU 9 8.449 0.518 9.733 39 HG2 GLU 9 1HG GLU 9 8.974 2.282 11.085 40 HG3 GLU 9 2HG GLU 9 7.227 2.202 11.302 41 H ALA 10 H ALA 10 6.585 -0.603 8.232 42 HA ALA 10 HA ALA 10 5.404 1.751 7.391 43 HB1 ALA 10 1HB ALA 10 5.560 -0.997 6.255 44 HB2 ALA 10 2HB ALA 10 4.506 0.187 5.481 45 HB3 ALA 10 3HB ALA 10 6.230 0.518 5.646 46 H TRP 11 H TRP 11 3.927 -1.104 8.766 47 HA TRP 11 HA TRP 11 1.281 -0.768 8.025 48 HB2 TRP 11 1HB TRP 11 2.661 -2.011 10.351 49 HB3 TRP 11 2HB TRP 11 0.928 -1.731 10.495 50 HD1 TRP 11 HD TRP 11 3.273 -4.284 9.365 51 HE1 TRP 11 1HE TRP 11 2.109 -6.025 7.868 52 HE3 TRP 11 3HE TRP 11 -1.063 -1.754 8.396 53 HZ2 TRP 11 2HZ TRP 11 -0.325 -6.290 6.462 54 HZ3 TRP 11 3HZ TRP 11 -2.757 -2.821 6.966 55 HH2 TRP 11 HH TRP 11 -2.393 -5.042 6.019 56 H GLU 12 H GLU 12 3.176 1.001 10.357 57 HA GLU 12 HA GLU 12 1.160 2.179 11.876 58 HB2 GLU 12 1HB GLU 12 3.813 3.353 11.026 59 HB3 GLU 12 2HB GLU 12 2.793 3.992 12.307 60 HG2 GLU 12 1HG GLU 12 3.004 1.688 13.383 61 HG3 GLU 12 2HG GLU 12 4.322 1.417 12.244 62 H TYR 13 H TYR 13 1.940 2.615 8.587 63 HA TYR 13 HA TYR 13 0.430 5.136 8.474 64 HB2 TYR 13 1HB TYR 13 2.145 3.940 6.293 65 HB3 TYR 13 2HB TYR 13 1.483 5.570 6.360 66 HD1 TYR 13 1HD TYR 13 2.493 7.268 7.778 67 HD2 TYR 13 2HD TYR 13 4.095 3.330 7.606 68 HE1 TYR 13 1HE TYR 13 4.550 8.064 8.864 69 HE2 TYR 13 2HE TYR 13 6.157 4.115 8.693 70 HH TYR 13 HH TYR 13 6.848 7.456 9.126 71 H PHE 14 H PHE 14 -0.503 2.223 8.594 72 HA PHE 14 HA PHE 14 -2.580 2.534 6.595 73 HB2 PHE 14 1HB PHE 14 -0.767 0.112 6.634 74 HB3 PHE 14 2HB PHE 14 -2.262 0.232 5.711 75 HD1 PHE 14 1HD PHE 14 1.126 1.661 6.093 76 HD2 PHE 14 2HD PHE 14 -2.311 1.281 3.611 77 HE1 PHE 14 1HE PHE 14 2.369 2.667 4.223 78 HE2 PHE 14 2HE PHE 14 -1.073 2.285 1.737 79 HZ PHE 14 HZ PHE 14 1.270 2.979 2.041 80 H HIS 15 H HIS 15 -4.440 1.280 7.011 81 HA HIS 15 HA HIS 15 -4.448 -0.262 9.505 82 HB2 HIS 15 1HB HIS 15 -6.058 0.988 10.546 83 HB3 HIS 15 2HB HIS 15 -5.285 2.268 9.615 84 HD1 HIS 15 1HD HIS 15 -8.137 -0.197 9.038 85 HD2 HIS 15 2HD HIS 15 -7.104 3.759 8.303 86 HE1 HIS 15 1HE HIS 15 -10.131 0.816 7.888 87 H LEU 16 H LEU 16 -5.468 -2.142 9.284 88 HA LEU 16 HA LEU 16 -6.597 -2.958 6.839 89 HB2 LEU 16 1HB LEU 16 -6.790 -4.168 9.591 90 HB3 LEU 16 2HB LEU 16 -7.340 -4.961 8.117 91 HG LEU 16 HG LEU 16 -4.484 -4.111 8.539 92 HD11 LEU 16 1HD1 LEU 16 -5.947 -6.485 9.536 93 HD12 LEU 16 2HD1 LEU 16 -4.548 -5.646 10.208 94 HD13 LEU 16 3HD1 LEU 16 -4.345 -6.749 8.847 95 HD21 LEU 16 1HD2 LEU 16 -5.844 -6.010 6.633 96 HD22 LEU 16 2HD2 LEU 16 -4.096 -5.843 6.801 97 HD23 LEU 16 3HD2 LEU 16 -5.062 -4.479 6.237 98 H ALA 17 H ALA 17 -8.706 -3.295 6.195 99 HA ALA 17 HA ALA 17 -10.743 -1.903 7.801 100 HB1 ALA 17 1HB ALA 17 -11.927 -1.998 5.430 101 HB2 ALA 17 2HB ALA 17 -10.780 -0.726 5.853 102 HB3 ALA 17 3HB ALA 17 -10.254 -2.101 4.881 103 HA PRO 18 HA PRO 18 -12.880 -5.705 8.400 104 HB2 PRO 18 1HB PRO 18 -15.378 -4.734 8.832 105 HB3 PRO 18 2HB PRO 18 -14.077 -4.603 10.022 106 HG2 PRO 18 1HG PRO 18 -15.080 -2.559 8.078 107 HG3 PRO 18 2HG PRO 18 -14.637 -2.358 9.783 108 HD2 PRO 18 1HD PRO 18 -12.984 -1.658 7.756 109 HD3 PRO 18 2HD PRO 18 -12.382 -2.257 9.315 110 H ALA 19 H ALA 19 -14.421 -7.098 7.431 111 HA ALA 19 HA ALA 19 -15.575 -6.172 4.891 112 HB1 ALA 19 1HB ALA 19 -13.360 -7.506 4.700 113 HB2 ALA 19 2HB ALA 19 -14.371 -8.903 5.072 114 HB3 ALA 19 3HB ALA 19 -14.713 -7.921 3.647 115 H ARG 20 H ARG 20 -17.683 -6.207 5.480 116 HA ARG 20 HA ARG 20 -18.804 -8.290 7.097 117 HB2 ARG 20 1HB ARG 20 -19.948 -5.950 5.596 118 HB3 ARG 20 2HB ARG 20 -20.998 -7.154 6.332 119 HG2 ARG 20 1HG ARG 20 -20.173 -6.652 8.510 120 HG3 ARG 20 2HG ARG 20 -18.899 -5.625 7.849 121 HD2 ARG 20 1HD ARG 20 -20.340 -3.906 7.379 122 HD3 ARG 20 2HD ARG 20 -21.727 -4.978 7.189 123 HE ARG 20 HE ARG 20 -20.711 -4.821 9.880 124 HH11 ARG 20 2HH1 ARG 20 -22.882 -3.443 7.534 125 HH12 ARG 20 1HH1 ARG 20 -23.928 -2.738 8.722 126 HH21 ARG 20 2HH2 ARG 20 -22.080 -3.898 11.454 127 HH22 ARG 20 1HH2 ARG 20 -23.470 -2.997 10.952 128 H ALA 21 H ALA 21 -19.015 -7.398 3.665 129 HA ALA 21 HA ALA 21 -20.005 -10.120 3.116 130 HB1 ALA 21 1HB ALA 21 -21.776 -8.497 2.745 131 HB2 ALA 21 2HB ALA 21 -20.731 -7.583 1.657 132 HB3 ALA 21 3HB ALA 21 -21.256 -9.208 1.216 133 H GLY 22 H GLY 22 -19.680 -10.612 0.652 134 HA2 GLY 22 1HA GLY 22 -18.259 -10.832 -1.158 135 HA3 GLY 22 2HA GLY 22 -17.369 -9.432 -0.578 136 H HIS 23 H HIS 23 -15.300 -10.042 -0.510 137 HA HIS 23 HA HIS 23 -14.546 -12.717 0.282 138 HB2 HIS 23 1HB HIS 23 -12.850 -10.310 -0.413 139 HB3 HIS 23 2HB HIS 23 -12.238 -11.940 -0.150 140 HD1 HIS 23 1HD HIS 23 -14.635 -10.138 -2.486 141 HD2 HIS 23 2HD HIS 23 -12.112 -13.439 -2.406 142 HE1 HIS 23 1HE HIS 23 -14.666 -11.066 -4.823 143 H HIS 24 H HIS 24 -12.980 -13.136 1.987 144 HA HIS 24 HA HIS 24 -13.765 -12.131 4.466 145 HB2 HIS 24 1HB HIS 24 -12.261 -13.600 5.370 146 HB3 HIS 24 2HB HIS 24 -12.335 -14.260 3.738 147 HD1 HIS 24 1HD HIS 24 -9.925 -13.660 6.146 148 HD2 HIS 24 2HD HIS 24 -10.182 -12.643 2.125 149 HE1 HIS 24 1HE HIS 24 -7.559 -13.231 5.408 150 HA PRO 25 HA PRO 25 -11.591 -8.367 5.058 151 HB2 PRO 25 1HB PRO 25 -10.982 -8.490 7.700 152 HB3 PRO 25 2HB PRO 25 -12.624 -8.219 7.105 153 HG2 PRO 25 1HG PRO 25 -11.354 -10.751 8.074 154 HG3 PRO 25 2HG PRO 25 -12.973 -10.111 8.411 155 HD2 PRO 25 1HD PRO 25 -12.527 -12.055 6.580 156 HD3 PRO 25 2HD PRO 25 -13.822 -10.855 6.401 157 H ASN 26 H ASN 26 -9.524 -7.525 6.326 158 HA ASN 26 HA ASN 26 -7.253 -7.467 6.442 159 HB2 ASN 26 1HB ASN 26 -7.471 -9.330 7.992 160 HB3 ASN 26 2HB ASN 26 -7.571 -10.469 6.653 161 HD21 ASN 26 1HD2 ASN 26 -5.475 -8.169 8.281 162 HD22 ASN 26 2HD2 ASN 26 -3.987 -8.896 7.789 163 H GLN 27 H GLN 27 -8.380 -7.308 3.913 164 HA GLN 27 HA GLN 27 -6.464 -8.803 2.248 165 HB2 GLN 27 1HB GLN 27 -8.097 -8.305 0.373 166 HB3 GLN 27 2HB GLN 27 -8.645 -9.449 1.591 167 HG2 GLN 27 1HG GLN 27 -9.824 -7.518 2.701 168 HG3 GLN 27 2HG GLN 27 -9.458 -6.579 1.254 169 HE21 GLN 27 1HE2 GLN 27 -9.927 -8.138 -0.794 170 HE22 GLN 27 2HE2 GLN 27 -11.551 -8.727 -0.812 171 H TYR 28 H TYR 28 -8.059 -5.673 2.694 172 HA TYR 28 HA TYR 28 -5.888 -4.433 1.133 173 HB2 TYR 28 1HB TYR 28 -8.807 -3.850 1.305 174 HB3 TYR 28 2HB TYR 28 -7.707 -2.495 1.074 175 HD1 TYR 28 1HD TYR 28 -6.422 -2.272 -0.985 176 HD2 TYR 28 2HD TYR 28 -9.126 -5.510 -0.431 177 HE1 TYR 28 1HE TYR 28 -6.332 -2.751 -3.395 178 HE2 TYR 28 2HE TYR 28 -9.043 -5.998 -2.840 179 HH TYR 28 HH TYR 28 -6.735 -4.897 -4.862 180 H ALA 29 H ALA 29 -4.946 -2.534 1.914 181 HA ALA 29 HA ALA 29 -5.443 -2.006 4.771 182 HB1 ALA 29 1HB ALA 29 -3.197 -1.757 5.161 183 HB2 ALA 29 2HB ALA 29 -3.176 -2.996 3.905 184 HB3 ALA 29 3HB ALA 29 -2.843 -1.315 3.490 185 H THR 30 H THR 30 -6.055 -0.019 5.336 186 HA THR 30 HA THR 30 -6.252 2.023 3.273 187 HB THR 30 HB THR 30 -7.198 2.267 6.127 188 HG1 THR 30 1HG THR 30 -8.745 0.908 5.663 189 HG21 THR 30 1HG2 THR 30 -7.843 4.286 5.441 190 HG22 THR 30 2HG2 THR 30 -8.923 3.511 4.281 191 HG23 THR 30 3HG2 THR 30 -7.282 3.948 3.804 192 H CYS 31 H CYS 31 -4.597 3.354 2.970 193 HA CYS 31 HA CYS 31 -2.461 3.716 4.750 194 HB2 CYS 31 1HB CYS 31 -2.535 4.173 2.232 195 HB3 CYS 31 2HB CYS 31 -3.267 5.720 2.648 196 H ARG 32 H ARG 32 -2.315 4.845 6.565 197 HA ARG 32 HA ARG 32 -4.451 6.600 7.375 198 HB2 ARG 32 1HB ARG 32 -1.860 5.851 8.740 199 HB3 ARG 32 2HB ARG 32 -3.135 6.816 9.472 200 HG2 ARG 32 1HG ARG 32 -4.558 5.022 9.689 201 HG3 ARG 32 2HG ARG 32 -3.778 4.113 8.393 202 HD2 ARG 32 1HD ARG 32 -2.090 3.361 9.750 203 HD3 ARG 32 2HD ARG 32 -2.198 4.749 10.832 204 HE ARG 32 HE ARG 32 -4.556 3.263 11.064 205 HH11 ARG 32 2HH1 ARG 32 -1.160 2.977 11.774 206 HH12 ARG 32 1HH1 ARG 32 -1.398 1.910 13.119 207 HH21 ARG 32 2HH2 ARG 32 -4.882 1.859 12.832 208 HH22 ARG 32 1HH2 ARG 32 -3.515 1.274 13.719 209 H LEU 33 H LEU 33 -1.766 7.014 5.492 210 HA LEU 33 HA LEU 33 -1.066 9.668 6.438 211 HB2 LEU 33 1HB LEU 33 -0.066 7.885 4.246 212 HB3 LEU 33 2HB LEU 33 0.396 9.585 4.318 213 HG LEU 33 HG LEU 33 0.912 7.591 6.521 214 HD11 LEU 33 1HD1 LEU 33 2.952 8.689 4.614 215 HD12 LEU 33 2HD1 LEU 33 2.101 7.176 4.305 216 HD13 LEU 33 3HD1 LEU 33 3.107 7.344 5.744 217 HD21 LEU 33 1HD2 LEU 33 1.133 9.525 7.652 218 HD22 LEU 33 2HD2 LEU 33 1.318 10.487 6.186 219 HD23 LEU 33 3HD2 LEU 33 2.694 9.594 6.835 220 H CYS 34 H CYS 34 -2.304 8.257 3.405 221 HA CYS 34 HA CYS 34 -3.377 10.903 2.699 222 HB2 CYS 34 1HB CYS 34 -3.506 10.029 0.390 223 HB3 CYS 34 2HB CYS 34 -1.867 9.975 1.030 224 H GLY 35 H GLY 35 -4.218 7.463 2.867 225 HA2 GLY 35 1HA GLY 35 -6.370 6.851 3.812 226 HA3 GLY 35 2HA GLY 35 -7.050 8.276 3.039 227 H ARG 36 H ARG 36 -4.806 6.127 1.429 228 HA ARG 36 HA ARG 36 -6.954 5.403 -0.440 229 HB2 ARG 36 1HB ARG 36 -4.000 5.764 -0.721 230 HB3 ARG 36 2HB ARG 36 -4.827 4.662 -1.814 231 HG2 ARG 36 1HG ARG 36 -6.441 6.715 -2.130 232 HG3 ARG 36 2HG ARG 36 -5.024 7.617 -1.589 233 HD2 ARG 36 1HD ARG 36 -4.727 7.587 -3.878 234 HD3 ARG 36 2HD ARG 36 -3.770 6.197 -3.367 235 HE ARG 36 HE ARG 36 -6.499 5.583 -4.074 236 HH11 ARG 36 2HH1 ARG 36 -3.223 5.918 -5.203 237 HH12 ARG 36 1HH1 ARG 36 -3.455 4.895 -6.582 238 HH21 ARG 36 2HH2 ARG 36 -6.818 4.235 -5.886 239 HH22 ARG 36 1HH2 ARG 36 -5.501 3.939 -6.970 240 H GLN 37 H GLN 37 -6.809 3.217 -1.420 241 HA GLN 37 HA GLN 37 -6.335 1.251 0.681 242 HB2 GLN 37 1HB GLN 37 -7.651 0.893 -2.016 243 HB3 GLN 37 2HB GLN 37 -7.644 -0.270 -0.698 244 HG2 GLN 37 1HG GLN 37 -8.755 2.440 -0.196 245 HG3 GLN 37 2HG GLN 37 -9.705 1.293 -1.139 246 HE21 GLN 37 1HE2 GLN 37 -11.290 0.921 0.327 247 HE22 GLN 37 2HE2 GLN 37 -11.031 0.162 1.857 248 H VAL 38 H VAL 38 -4.638 -0.066 0.704 249 HA VAL 38 HA VAL 38 -3.216 -0.604 -1.811 250 HB VAL 38 HB VAL 38 -1.885 0.122 0.804 251 HG11 VAL 38 1HG1 VAL 38 -0.918 -1.620 -1.025 252 HG12 VAL 38 2HG1 VAL 38 -0.294 -0.096 -1.660 253 HG13 VAL 38 3HG1 VAL 38 0.090 -0.589 -0.010 254 HG21 VAL 38 1HG2 VAL 38 -0.928 1.961 -0.744 255 HG22 VAL 38 2HG2 VAL 38 -2.324 1.605 -1.761 256 HG23 VAL 38 3HG2 VAL 38 -2.559 2.152 -0.101 257 H SER 39 H SER 39 -3.872 -2.700 -1.994 258 HA SER 39 HA SER 39 -4.015 -4.522 0.177 259 HB2 SER 39 1HB SER 39 -5.351 -4.905 -1.806 260 HB3 SER 39 2HB SER 39 -3.905 -4.995 -2.811 261 HG SER 39 HG SER 39 -4.683 -6.800 -0.765 262 H ARG 40 H ARG 40 -2.746 -6.576 0.253 263 HA ARG 40 HA ARG 40 0.098 -5.938 0.026 264 HB2 ARG 40 1HB ARG 40 -1.362 -8.125 1.515 265 HB3 ARG 40 2HB ARG 40 0.389 -7.964 1.471 266 HG2 ARG 40 1HG ARG 40 -0.114 -5.548 2.341 267 HG3 ARG 40 2HG ARG 40 -1.638 -6.277 2.851 268 HD2 ARG 40 1HD ARG 40 1.039 -7.470 3.525 269 HD3 ARG 40 2HD ARG 40 0.253 -6.268 4.547 270 HE ARG 40 HE ARG 40 -1.536 -8.379 4.012 271 HH11 ARG 40 2HH1 ARG 40 1.343 -7.660 5.832 272 HH12 ARG 40 1HH1 ARG 40 1.015 -8.833 7.064 273 HH21 ARG 40 2HH2 ARG 40 -1.980 -9.926 5.628 274 HH22 ARG 40 1HH2 ARG 40 -0.876 -10.122 6.947 275 H GLY 41 H GLY 41 -2.110 -8.645 -0.697 276 HA2 GLY 41 1HA GLY 41 -2.105 -9.813 -2.766 277 HA3 GLY 41 2HA GLY 41 -0.458 -9.265 -3.040 278 HA PRO 42 HA PRO 42 -0.629 -13.689 -1.356 279 HB2 PRO 42 1HB PRO 42 0.206 -14.954 -3.608 280 HB3 PRO 42 2HB PRO 42 -1.499 -14.656 -3.250 281 HG2 PRO 42 1HG PRO 42 0.355 -13.131 -5.039 282 HG3 PRO 42 2HG PRO 42 -1.330 -13.607 -5.318 283 HD2 PRO 42 1HD PRO 42 -0.631 -11.109 -4.541 284 HD3 PRO 42 2HD PRO 42 -2.163 -11.867 -4.057 285 H GLY 43 H GLY 43 1.503 -11.398 -2.400 286 HA2 GLY 43 1HA GLY 43 3.773 -12.953 -1.391 287 HA3 GLY 43 2HA GLY 43 3.922 -12.220 -2.982 288 H VAL 44 H VAL 44 3.330 -11.482 0.430 289 HA VAL 44 HA VAL 44 4.491 -8.812 -0.040 290 HB VAL 44 HB VAL 44 2.111 -8.748 0.659 291 HG11 VAL 44 1HG1 VAL 44 3.174 -10.456 2.822 292 HG12 VAL 44 2HG1 VAL 44 1.988 -9.237 3.292 293 HG13 VAL 44 3HG1 VAL 44 1.580 -10.439 2.067 294 HG21 VAL 44 1HG2 VAL 44 3.058 -7.533 3.026 295 HG22 VAL 44 2HG2 VAL 44 4.322 -7.358 1.808 296 HG23 VAL 44 3HG2 VAL 44 2.693 -6.768 1.479 297 H ASN 45 H ASN 45 6.066 -11.115 0.443 298 HA ASN 45 HA ASN 45 7.192 -10.415 3.069 299 HB2 ASN 45 1HB ASN 45 6.480 -13.091 1.980 300 HB3 ASN 45 2HB ASN 45 7.968 -12.970 2.914 301 HD21 ASN 45 1HD2 ASN 45 4.524 -12.861 2.985 302 HD22 ASN 45 2HD2 ASN 45 4.347 -12.801 4.703 303 H VAL 46 H VAL 46 8.001 -9.237 0.694 304 HA VAL 46 HA VAL 46 10.506 -10.596 -0.010 305 HB VAL 46 HB VAL 46 9.353 -8.161 -1.361 306 HG11 VAL 46 1HG1 VAL 46 11.033 -8.339 -2.840 307 HG12 VAL 46 2HG1 VAL 46 11.827 -9.273 -1.570 308 HG13 VAL 46 3HG1 VAL 46 10.959 -10.100 -2.864 309 HG21 VAL 46 1HG2 VAL 46 8.389 -10.877 -1.412 310 HG22 VAL 46 2HG2 VAL 46 7.713 -9.433 -2.166 311 HG23 VAL 46 3HG2 VAL 46 8.941 -10.375 -3.010 312 H GLY 47 H GLY 47 10.368 -9.413 2.530 313 HA2 GLY 47 1HA GLY 47 11.855 -8.200 3.827 314 HA3 GLY 47 2HA GLY 47 12.621 -7.628 2.353 315 H THR 48 H THR 48 10.698 -6.301 1.043 316 HA THR 48 HA THR 48 10.122 -4.079 2.871 317 HB THR 48 HB THR 48 10.153 -4.106 -0.154 318 HG1 THR 48 1HG THR 48 12.013 -2.573 1.143 319 HG21 THR 48 1HG2 THR 48 8.774 -2.324 0.320 320 HG22 THR 48 2HG2 THR 48 10.352 -1.540 0.397 321 HG23 THR 48 3HG2 THR 48 9.531 -2.016 1.883 322 H THR 49 H THR 49 8.158 -4.333 3.758 323 HA THR 49 HA THR 49 5.985 -5.716 2.827 324 HB THR 49 HB THR 49 5.544 -3.115 4.255 325 HG1 THR 49 1HG THR 49 6.084 -4.388 6.202 326 HG21 THR 49 1HG2 THR 49 4.261 -5.288 5.495 327 HG22 THR 49 2HG2 THR 49 4.061 -5.525 3.759 328 HG23 THR 49 3HG2 THR 49 3.525 -4.023 4.511 329 H ALA 50 H ALA 50 4.605 -5.499 1.193 330 HA ALA 50 HA ALA 50 4.777 -3.877 -0.932 331 HB1 ALA 50 1HB ALA 50 2.240 -4.108 -1.150 332 HB2 ALA 50 2HB ALA 50 3.189 -5.591 -1.055 333 HB3 ALA 50 3HB ALA 50 2.319 -5.009 0.364 334 H LEU 51 H LEU 51 3.526 -2.963 2.185 335 HA LEU 51 HA LEU 51 2.157 -0.619 1.460 336 HB2 LEU 51 1HB LEU 51 3.650 -1.086 4.032 337 HB3 LEU 51 2HB LEU 51 2.289 0.002 3.768 338 HG LEU 51 HG LEU 51 2.081 -2.994 3.534 339 HD11 LEU 51 1HD1 LEU 51 2.726 -2.533 5.792 340 HD12 LEU 51 2HD1 LEU 51 0.996 -2.872 5.769 341 HD13 LEU 51 3HD1 LEU 51 1.566 -1.209 5.906 342 HD21 LEU 51 1HD2 LEU 51 -0.200 -1.222 4.190 343 HD22 LEU 51 2HD2 LEU 51 -0.149 -2.701 3.229 344 HD23 LEU 51 3HD2 LEU 51 0.409 -1.177 2.536 345 H TRP 52 H TRP 52 5.510 -1.098 2.548 346 HA TRP 52 HA TRP 52 6.422 1.471 2.627 347 HB2 TRP 52 1HB TRP 52 7.791 -1.031 1.647 348 HB3 TRP 52 2HB TRP 52 8.639 0.505 1.803 349 HD1 TRP 52 HD TRP 52 7.553 -2.472 3.786 350 HE1 TRP 52 1HE TRP 52 8.186 -2.155 6.260 351 HE3 TRP 52 3HE TRP 52 8.816 2.481 3.673 352 HZ2 TRP 52 2HZ TRP 52 9.098 -0.080 7.942 353 HZ3 TRP 52 3HZ TRP 52 9.558 3.556 5.758 354 HH2 TRP 52 HH TRP 52 9.695 2.301 7.847 355 H LYS 53 H LYS 53 6.396 -0.597 -0.277 356 HA LYS 53 HA LYS 53 7.441 1.022 -2.166 357 HB2 LYS 53 1HB LYS 53 5.199 -0.936 -2.218 358 HB3 LYS 53 2HB LYS 53 5.423 0.080 -3.636 359 HG2 LYS 53 1HG LYS 53 6.660 -1.800 -4.148 360 HG3 LYS 53 2HG LYS 53 7.882 -0.690 -3.521 361 HD2 LYS 53 1HD LYS 53 7.608 -1.786 -1.287 362 HD3 LYS 53 2HD LYS 53 6.567 -2.980 -2.064 363 HE2 LYS 53 1HE LYS 53 9.278 -2.454 -3.193 364 HE3 LYS 53 2HE LYS 53 9.132 -3.436 -1.736 365 HZ1 LYS 53 1HZ LYS 53 9.035 -4.974 -3.443 366 HZ2 LYS 53 2HZ LYS 53 8.095 -3.984 -4.442 367 HZ3 LYS 53 3HZ LYS 53 7.399 -4.725 -3.090 368 H HIS 54 H HIS 54 4.138 1.241 -0.899 369 HA HIS 54 HA HIS 54 3.330 3.376 -2.580 370 HB2 HIS 54 1HB HIS 54 1.709 1.923 -1.453 371 HB3 HIS 54 2HB HIS 54 2.249 2.520 0.114 372 HD1 HIS 54 1HD HIS 54 0.669 3.887 -3.062 373 HD2 HIS 54 2HD HIS 54 0.828 4.642 1.020 374 HE1 HIS 54 1HE HIS 54 -0.949 5.771 -2.663 375 H LEU 55 H LEU 55 4.550 3.266 0.753 376 HA LEU 55 HA LEU 55 4.343 5.975 1.356 377 HB2 LEU 55 1HB LEU 55 6.389 3.956 2.260 378 HB3 LEU 55 2HB LEU 55 6.178 5.551 2.980 379 HG LEU 55 HG LEU 55 3.988 3.486 2.914 380 HD11 LEU 55 1HD1 LEU 55 5.575 2.378 4.183 381 HD12 LEU 55 2HD1 LEU 55 4.664 3.273 5.399 382 HD13 LEU 55 3HD1 LEU 55 6.231 3.872 4.855 383 HD21 LEU 55 1HD2 LEU 55 3.086 4.848 4.748 384 HD22 LEU 55 2HD2 LEU 55 3.255 5.775 3.257 385 HD23 LEU 55 3HD2 LEU 55 4.428 5.976 4.559 386 H LYS 56 H LYS 56 7.100 4.202 -0.028 387 HA LYS 56 HA LYS 56 8.663 6.572 -0.399 388 HB2 LYS 56 1HB LYS 56 9.021 3.833 -1.628 389 HB3 LYS 56 2HB LYS 56 10.226 5.113 -1.581 390 HG2 LYS 56 1HG LYS 56 10.735 4.748 0.598 391 HG3 LYS 56 2HG LYS 56 9.099 4.227 1.008 392 HD2 LYS 56 1HD LYS 56 9.498 2.060 0.429 393 HD3 LYS 56 2HD LYS 56 10.658 2.496 -0.828 394 HE2 LYS 56 1HE LYS 56 12.085 1.610 0.718 395 HE3 LYS 56 2HE LYS 56 12.077 3.289 1.254 396 HZ1 LYS 56 1HZ LYS 56 11.546 1.162 2.821 397 HZ2 LYS 56 2HZ LYS 56 9.989 1.680 2.415 398 HZ3 LYS 56 3HZ LYS 56 11.070 2.750 3.157 399 H SER 57 H SER 57 6.042 5.278 -2.033 400 HA SER 57 HA SER 57 6.824 6.101 -4.691 401 HB2 SER 57 1HB SER 57 5.362 4.183 -4.494 402 HB3 SER 57 2HB SER 57 4.188 5.120 -3.572 403 HG SER 57 HG SER 57 4.801 5.227 -6.310 404 H MET 58 H MET 58 4.698 7.271 -2.121 405 HA MET 58 HA MET 58 4.545 9.848 -3.537 406 HB2 MET 58 1HB MET 58 2.286 10.147 -2.906 407 HB3 MET 58 2HB MET 58 2.388 8.506 -3.530 408 HG2 MET 58 1HG MET 58 2.179 7.555 -1.423 409 HG3 MET 58 2HG MET 58 2.643 9.043 -0.601 410 HE1 MET 58 1HE MET 58 0.434 9.117 -3.620 411 HE2 MET 58 2HE MET 58 -0.377 7.668 -3.024 412 HE3 MET 58 3HE MET 58 -1.223 9.217 -3.021 413 H HIS 59 H HIS 59 4.717 8.136 -0.482 414 HA HIS 59 HA HIS 59 5.013 10.635 0.997 415 HB2 HIS 59 1HB HIS 59 4.999 7.780 1.999 416 HB3 HIS 59 2HB HIS 59 4.973 9.227 3.001 417 HD1 HIS 59 1HD HIS 59 2.768 10.849 2.358 418 HD2 HIS 59 2HD HIS 59 2.530 6.768 1.619 419 HE1 HIS 59 1HE HIS 59 0.312 10.339 2.188 420 H ARG 60 H ARG 60 7.022 9.469 -0.950 421 HA ARG 60 HA ARG 60 9.257 8.409 0.214 422 HB2 ARG 60 1HB ARG 60 9.204 8.748 -2.152 423 HB3 ARG 60 2HB ARG 60 9.036 10.488 -1.960 424 HG2 ARG 60 1HG ARG 60 11.356 10.200 -0.715 425 HG3 ARG 60 2HG ARG 60 11.445 8.777 -1.756 426 HD2 ARG 60 1HD ARG 60 10.785 11.519 -2.801 427 HD3 ARG 60 2HD ARG 60 12.440 10.924 -2.672 428 HE ARG 60 HE ARG 60 11.273 8.972 -4.077 429 HH11 ARG 60 2HH1 ARG 60 11.184 12.434 -4.432 430 HH12 ARG 60 1HH1 ARG 60 10.975 12.383 -6.151 431 HH21 ARG 60 2HH2 ARG 60 10.998 8.892 -6.339 432 HH22 ARG 60 1HH2 ARG 60 10.868 10.368 -7.235 433 H GLU 61 H GLU 61 8.240 11.795 0.217 434 HA GLU 61 HA GLU 61 10.574 12.765 1.532 435 HB2 GLU 61 1HB GLU 61 7.822 13.942 1.145 436 HB3 GLU 61 2HB GLU 61 9.128 14.800 1.950 437 HG2 GLU 61 1HG GLU 61 10.477 14.649 -0.084 438 HG3 GLU 61 2HG GLU 61 9.157 13.804 -0.890 439 H GLU 62 H GLU 62 7.305 11.931 2.633 440 HA GLU 62 HA GLU 62 7.471 12.694 5.276 441 HB2 GLU 62 1HB GLU 62 5.557 11.530 3.864 442 HB3 GLU 62 2HB GLU 62 6.177 10.080 4.641 443 HG2 GLU 62 1HG GLU 62 4.237 11.303 5.756 444 HG3 GLU 62 2HG GLU 62 5.597 10.817 6.766 445 H LEU 63 H LEU 63 8.478 9.604 3.840 446 HA LEU 63 HA LEU 63 9.319 8.361 6.202 447 HB2 LEU 63 1HB LEU 63 10.430 8.012 3.422 448 HB3 LEU 63 2HB LEU 63 10.629 6.888 4.765 449 HG LEU 63 HG LEU 63 7.988 7.573 3.477 450 HD11 LEU 63 1HD1 LEU 63 8.118 5.610 2.235 451 HD12 LEU 63 2HD1 LEU 63 9.450 4.973 3.199 452 HD13 LEU 63 3HD1 LEU 63 9.732 6.306 2.079 453 HD21 LEU 63 1HD2 LEU 63 8.091 6.804 5.918 454 HD22 LEU 63 2HD2 LEU 63 8.601 5.246 5.269 455 HD23 LEU 63 3HD2 LEU 63 7.033 5.918 4.821 456 H GLU 64 H GLU 64 11.436 9.784 3.704 457 HA GLU 64 HA GLU 64 13.811 9.733 5.054 458 HB2 GLU 64 1HB GLU 64 12.827 11.958 3.258 459 HB3 GLU 64 2HB GLU 64 14.506 11.659 3.684 460 HG2 GLU 64 1HG GLU 64 14.250 9.385 2.638 461 HG3 GLU 64 2HG GLU 64 12.692 9.936 2.023 462 H LYS 65 H LYS 65 11.522 12.468 5.062 463 HA LYS 65 HA LYS 65 12.813 14.146 6.810 464 HB2 LYS 65 1HB LYS 65 10.640 14.549 5.555 465 HB3 LYS 65 2HB LYS 65 9.829 13.700 6.865 466 HG2 LYS 65 1HG LYS 65 10.805 15.376 8.443 467 HG3 LYS 65 2HG LYS 65 11.379 16.273 7.036 468 HD2 LYS 65 1HD LYS 65 9.334 17.281 7.615 469 HD3 LYS 65 2HD LYS 65 8.960 16.247 6.234 470 HE2 LYS 65 1HE LYS 65 8.421 14.481 8.089 471 HE3 LYS 65 2HE LYS 65 8.254 15.905 9.116 472 HZ1 LYS 65 1HZ LYS 65 6.370 14.849 7.386 473 HZ2 LYS 65 2HZ LYS 65 6.880 16.298 6.678 474 HZ3 LYS 65 3HZ LYS 65 6.267 16.298 8.254 475 H SER 66 H SER 66 10.598 11.492 7.624 476 HA SER 66 HA SER 66 10.655 11.864 10.412 477 HB2 SER 66 1HB SER 66 8.995 10.463 9.136 478 HB3 SER 66 2HB SER 66 10.251 9.235 8.971 479 HG SER 66 HG SER 66 9.645 8.584 10.864 480 H GLY 67 H GLY 67 12.567 9.746 8.292 481 HA2 GLY 67 1HA GLY 67 14.964 9.566 8.815 482 HA3 GLY 67 2HA GLY 67 14.502 9.469 10.508 483 H HIS 68 H HIS 68 13.255 7.808 7.619 484 HA HIS 68 HA HIS 68 13.752 5.258 9.002 485 HB2 HIS 68 1HB HIS 68 11.708 5.993 6.901 486 HB3 HIS 68 2HB HIS 68 11.992 4.346 7.455 487 HD1 HIS 68 1HD HIS 68 9.553 4.232 8.355 488 HD2 HIS 68 2HD HIS 68 11.923 7.128 10.160 489 HE1 HIS 68 1HE HIS 68 8.294 4.946 10.411 490 H GLY 69 H GLY 69 15.924 6.342 7.768 491 HA2 GLY 69 1HA GLY 69 16.246 5.615 5.052 492 HA3 GLY 69 2HA GLY 69 17.545 5.934 6.192 493 H GLN 70 H GLN 70 17.727 4.071 7.908 494 HA GLN 70 HA GLN 70 18.293 1.691 6.387 495 HB2 GLN 70 1HB GLN 70 19.335 0.868 8.420 496 HB3 GLN 70 2HB GLN 70 19.849 2.521 8.112 497 HG2 GLN 70 1HG GLN 70 18.008 3.219 9.726 498 HG3 GLN 70 2HG GLN 70 17.932 1.519 10.187 499 HE21 GLN 70 1HE2 GLN 70 18.494 2.553 12.290 500 HE22 GLN 70 2HE2 GLN 70 20.170 2.745 12.660 501 H SER 71 H SER 71 15.603 2.076 6.303 502 HA SER 71 HA SER 71 14.490 0.164 8.241 503 HB2 SER 71 1HB SER 71 13.192 2.305 6.553 504 HB3 SER 71 2HB SER 71 12.262 1.069 7.399 505 HG SER 71 HG SER 71 13.277 1.812 9.348 506 H GLY 72 H GLY 72 14.701 0.918 4.795 507 HA2 GLY 72 1HA GLY 72 14.233 -1.910 4.207 508 HA3 GLY 72 2HA GLY 72 13.144 -0.745 3.468 509 HA PRO 73 HA PRO 73 17.645 -0.407 1.605 510 HB2 PRO 73 1HB PRO 73 18.807 -2.848 1.362 511 HB3 PRO 73 2HB PRO 73 19.060 -1.799 2.762 512 HG2 PRO 73 1HG PRO 73 17.219 -4.140 2.456 513 HG3 PRO 73 2HG PRO 73 18.261 -3.708 3.824 514 HD2 PRO 73 1HD PRO 73 15.602 -3.200 3.802 515 HD3 PRO 73 2HD PRO 73 16.768 -2.150 4.632 516 H SER 74 H SER 74 18.576 -1.607 -0.466 517 HA SER 74 HA SER 74 16.250 -2.490 -2.046 518 HB2 SER 74 1HB SER 74 17.492 -0.209 -2.522 519 HB3 SER 74 2HB SER 74 18.647 -1.257 -3.345 520 HG SER 74 HG SER 74 17.226 -1.642 -4.867 521 H SER 75 H SER 75 16.952 -3.733 -4.067 522 HA SER 75 HA SER 75 19.076 -5.637 -3.322 523 HB2 SER 75 1HB SER 75 16.524 -6.339 -3.406 524 HB3 SER 75 2HB SER 75 16.845 -6.454 -5.136 525 HG SER 75 HG SER 75 18.838 -7.678 -4.135 526 H GLY 76 H GLY 76 20.200 -6.675 -5.102 527 HA2 GLY 76 1HA GLY 76 21.459 -5.107 -6.865 528 HA3 GLY 76 2HA GLY 76 21.075 -6.777 -7.255 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.259 -17.046 11.338 2 HA2 GLY 1 1HA GLY 1 14.391 -15.702 10.008 3 HA3 GLY 1 2HA GLY 1 12.899 -14.782 9.885 4 H SER 2 H SER 2 15.084 -16.311 12.219 5 HA SER 2 HA SER 2 15.558 -15.837 14.399 6 HB2 SER 2 1HB SER 2 16.223 -13.692 12.993 7 HB3 SER 2 2HB SER 2 14.925 -12.953 13.931 8 HG SER 2 HG SER 2 17.431 -13.586 14.696 9 H SER 3 H SER 3 12.955 -16.699 14.053 10 HA SER 3 HA SER 3 10.807 -16.584 14.876 11 HB2 SER 3 1HB SER 3 10.795 -16.457 17.364 12 HB3 SER 3 2HB SER 3 12.034 -17.546 16.739 13 HG SER 3 HG SER 3 12.299 -15.241 18.183 14 H GLY 4 H GLY 4 11.428 -14.189 13.584 15 HA2 GLY 4 1HA GLY 4 9.454 -12.469 14.648 16 HA3 GLY 4 2HA GLY 4 11.046 -11.852 15.063 17 H SER 5 H SER 5 8.859 -10.880 13.234 18 HA SER 5 HA SER 5 10.392 -10.780 10.724 19 HB2 SER 5 1HB SER 5 7.452 -10.379 11.289 20 HB3 SER 5 2HB SER 5 8.194 -9.951 9.748 21 HG SER 5 HG SER 5 7.418 -12.023 9.564 22 H SER 6 H SER 6 10.959 -8.842 9.817 23 HA SER 6 HA SER 6 10.531 -6.465 11.504 24 HB2 SER 6 1HB SER 6 12.875 -7.431 9.928 25 HB3 SER 6 2HB SER 6 12.636 -5.691 10.081 26 HG SER 6 HG SER 6 13.705 -7.330 11.845 27 H GLY 7 H GLY 7 11.038 -4.397 10.011 28 HA2 GLY 7 1HA GLY 7 10.290 -3.035 8.318 29 HA3 GLY 7 2HA GLY 7 10.147 -4.478 7.324 30 H SER 8 H SER 8 8.466 -4.022 10.369 31 HA SER 8 HA SER 8 5.928 -4.157 8.904 32 HB2 SER 8 1HB SER 8 4.934 -4.973 10.938 33 HB3 SER 8 2HB SER 8 6.429 -5.870 10.677 34 HG SER 8 HG SER 8 7.396 -4.751 12.285 35 H GLU 9 H GLU 9 7.915 -1.945 10.432 36 HA GLU 9 HA GLU 9 6.215 -0.291 11.863 37 HB2 GLU 9 1HB GLU 9 8.706 -0.066 11.672 38 HB3 GLU 9 2HB GLU 9 8.468 0.644 10.081 39 HG2 GLU 9 1HG GLU 9 8.649 2.526 11.349 40 HG3 GLU 9 2HG GLU 9 6.903 2.287 11.389 41 H ALA 10 H ALA 10 6.498 -0.747 8.432 42 HA ALA 10 HA ALA 10 5.359 1.605 7.472 43 HB1 ALA 10 1HB ALA 10 5.438 -1.202 6.435 44 HB2 ALA 10 2HB ALA 10 4.539 0.049 5.576 45 HB3 ALA 10 3HB ALA 10 6.273 0.233 5.840 46 H TRP 11 H TRP 11 3.866 -1.231 8.891 47 HA TRP 11 HA TRP 11 1.233 -0.912 8.116 48 HB2 TRP 11 1HB TRP 11 2.565 -2.072 10.519 49 HB3 TRP 11 2HB TRP 11 0.821 -1.833 10.575 50 HD1 TRP 11 HD TRP 11 3.195 -4.421 9.762 51 HE1 TRP 11 1HE TRP 11 2.179 -6.206 8.211 52 HE3 TRP 11 3HE TRP 11 -0.952 -1.872 8.201 53 HZ2 TRP 11 2HZ TRP 11 -0.082 -6.494 6.545 54 HZ3 TRP 11 3HZ TRP 11 -2.491 -2.973 6.628 55 HH2 TRP 11 HH TRP 11 -2.062 -5.237 5.818 56 H GLU 12 H GLU 12 3.091 0.913 10.436 57 HA GLU 12 HA GLU 12 1.051 2.125 11.894 58 HB2 GLU 12 1HB GLU 12 3.718 3.280 11.060 59 HB3 GLU 12 2HB GLU 12 2.677 3.948 12.309 60 HG2 GLU 12 1HG GLU 12 3.763 1.151 12.420 61 HG3 GLU 12 2HG GLU 12 4.611 2.540 13.096 62 H TYR 13 H TYR 13 1.987 2.560 8.618 63 HA TYR 13 HA TYR 13 0.438 5.048 8.421 64 HB2 TYR 13 1HB TYR 13 2.198 3.826 6.293 65 HB3 TYR 13 2HB TYR 13 1.550 5.462 6.341 66 HD1 TYR 13 2HD TYR 13 4.113 3.201 7.652 67 HD2 TYR 13 1HD TYR 13 2.550 7.156 7.768 68 HE1 TYR 13 2HE TYR 13 6.160 3.971 8.777 69 HE2 TYR 13 1HE TYR 13 4.593 7.937 8.892 70 HH TYR 13 HH TYR 13 7.220 5.685 9.700 71 H PHE 14 H PHE 14 -0.504 2.145 8.575 72 HA PHE 14 HA PHE 14 -2.544 2.420 6.542 73 HB2 PHE 14 1HB PHE 14 -0.700 0.022 6.581 74 HB3 PHE 14 2HB PHE 14 -2.184 0.135 5.639 75 HD1 PHE 14 1HD PHE 14 1.234 1.436 6.025 76 HD2 PHE 14 2HD PHE 14 -2.266 1.364 3.605 77 HE1 PHE 14 1HE PHE 14 2.492 2.473 4.182 78 HE2 PHE 14 2HE PHE 14 -1.014 2.400 1.758 79 HZ PHE 14 HZ PHE 14 1.368 2.955 2.045 80 H HIS 15 H HIS 15 -4.382 1.110 6.921 81 HA HIS 15 HA HIS 15 -4.392 -0.486 9.372 82 HB2 HIS 15 1HB HIS 15 -5.971 0.742 10.488 83 HB3 HIS 15 2HB HIS 15 -5.178 2.048 9.611 84 HD1 HIS 15 1HD HIS 15 -8.105 -0.313 8.980 85 HD2 HIS 15 2HD HIS 15 -6.960 3.631 8.353 86 HE1 HIS 15 1HE HIS 15 -10.082 0.796 7.891 87 H LEU 16 H LEU 16 -5.432 -2.342 9.071 88 HA LEU 16 HA LEU 16 -6.730 -2.917 6.601 89 HB2 LEU 16 1HB LEU 16 -6.520 -4.484 9.165 90 HB3 LEU 16 2HB LEU 16 -7.232 -5.110 7.680 91 HG LEU 16 HG LEU 16 -4.422 -4.100 7.643 92 HD11 LEU 16 1HD1 LEU 16 -5.413 -6.465 9.096 93 HD12 LEU 16 2HD1 LEU 16 -3.939 -5.523 9.323 94 HD13 LEU 16 3HD1 LEU 16 -4.026 -6.728 8.038 95 HD21 LEU 16 1HD2 LEU 16 -6.162 -5.895 6.040 96 HD22 LEU 16 2HD2 LEU 16 -4.434 -6.248 6.093 97 HD23 LEU 16 3HD2 LEU 16 -4.997 -4.679 5.515 98 H ALA 17 H ALA 17 -8.888 -3.312 6.173 99 HA ALA 17 HA ALA 17 -10.758 -2.043 8.027 100 HB1 ALA 17 1HB ALA 17 -10.910 -1.183 5.823 101 HB2 ALA 17 2HB ALA 17 -10.980 -2.801 5.124 102 HB3 ALA 17 3HB ALA 17 -12.336 -2.191 6.072 103 HA PRO 18 HA PRO 18 -12.459 -5.866 9.397 104 HB2 PRO 18 1HB PRO 18 -14.913 -4.993 10.162 105 HB3 PRO 18 2HB PRO 18 -13.443 -4.651 11.081 106 HG2 PRO 18 1HG PRO 18 -14.913 -2.908 9.142 107 HG3 PRO 18 2HG PRO 18 -14.202 -2.485 10.711 108 HD2 PRO 18 1HD PRO 18 -12.976 -1.935 8.360 109 HD3 PRO 18 2HD PRO 18 -12.075 -2.313 9.842 110 H ALA 19 H ALA 19 -13.911 -7.485 8.789 111 HA ALA 19 HA ALA 19 -15.537 -6.923 6.397 112 HB1 ALA 19 1HB ALA 19 -13.605 -9.152 6.896 113 HB2 ALA 19 2HB ALA 19 -14.969 -9.378 5.800 114 HB3 ALA 19 3HB ALA 19 -13.778 -8.118 5.478 115 H ARG 20 H ARG 20 -17.613 -7.195 6.855 116 HA ARG 20 HA ARG 20 -18.370 -9.182 8.886 117 HB2 ARG 20 1HB ARG 20 -19.962 -6.838 7.830 118 HB3 ARG 20 2HB ARG 20 -20.457 -7.927 9.119 119 HG2 ARG 20 1HG ARG 20 -19.679 -6.163 10.338 120 HG3 ARG 20 2HG ARG 20 -18.211 -7.136 10.219 121 HD2 ARG 20 1HD ARG 20 -17.499 -4.980 9.685 122 HD3 ARG 20 2HD ARG 20 -17.704 -5.759 8.116 123 HE ARG 20 HE ARG 20 -19.442 -4.325 7.657 124 HH11 ARG 20 2HH1 ARG 20 -18.585 -4.094 11.023 125 HH12 ARG 20 1HH1 ARG 20 -19.565 -2.695 11.311 126 HH21 ARG 20 2HH2 ARG 20 -20.737 -2.483 8.024 127 HH22 ARG 20 1HH2 ARG 20 -20.790 -1.780 9.605 128 H ALA 21 H ALA 21 -18.690 -11.062 7.827 129 HA ALA 21 HA ALA 21 -19.669 -12.620 6.487 130 HB1 ALA 21 1HB ALA 21 -21.747 -10.453 6.245 131 HB2 ALA 21 2HB ALA 21 -21.942 -12.082 5.596 132 HB3 ALA 21 3HB ALA 21 -21.760 -11.841 7.334 133 H GLY 22 H GLY 22 -17.619 -11.132 5.339 134 HA2 GLY 22 1HA GLY 22 -18.552 -10.844 2.549 135 HA3 GLY 22 2HA GLY 22 -17.243 -9.893 3.235 136 H HIS 23 H HIS 23 -15.198 -10.721 3.298 137 HA HIS 23 HA HIS 23 -14.835 -13.472 2.322 138 HB2 HIS 23 1HB HIS 23 -13.216 -11.071 1.447 139 HB3 HIS 23 2HB HIS 23 -12.960 -12.736 0.933 140 HD1 HIS 23 1HD HIS 23 -14.107 -13.403 -1.162 141 HD2 HIS 23 2HD HIS 23 -15.854 -10.055 0.571 142 HE1 HIS 23 1HE HIS 23 -15.862 -12.640 -2.793 143 H HIS 24 H HIS 24 -12.960 -10.713 3.593 144 HA HIS 24 HA HIS 24 -12.171 -12.026 5.954 145 HB2 HIS 24 1HB HIS 24 -10.855 -13.189 3.961 146 HB3 HIS 24 2HB HIS 24 -9.803 -11.790 4.154 147 HD1 HIS 24 1HD HIS 24 -7.898 -12.281 5.631 148 HD2 HIS 24 2HD HIS 24 -11.288 -14.406 6.749 149 HE1 HIS 24 1HE HIS 24 -7.206 -13.651 7.623 150 HA PRO 25 HA PRO 25 -11.271 -7.810 6.860 151 HB2 PRO 25 1HB PRO 25 -9.944 -8.168 9.201 152 HB3 PRO 25 2HB PRO 25 -11.696 -8.352 9.052 153 HG2 PRO 25 1HG PRO 25 -9.566 -10.456 9.081 154 HG3 PRO 25 2HG PRO 25 -11.139 -10.445 9.899 155 HD2 PRO 25 1HD PRO 25 -10.704 -11.802 7.596 156 HD3 PRO 25 2HD PRO 25 -12.274 -11.077 7.995 157 H ASN 26 H ASN 26 -9.058 -9.995 5.782 158 HA ASN 26 HA ASN 26 -6.871 -8.024 5.919 159 HB2 ASN 26 1HB ASN 26 -6.562 -10.191 7.264 160 HB3 ASN 26 2HB ASN 26 -6.417 -10.996 5.704 161 HD21 ASN 26 1HD2 ASN 26 -5.187 -8.028 7.221 162 HD22 ASN 26 2HD2 ASN 26 -3.543 -8.268 6.749 163 H GLN 27 H GLN 27 -8.053 -7.325 3.905 164 HA GLN 27 HA GLN 27 -7.040 -8.853 1.599 165 HB2 GLN 27 1HB GLN 27 -9.025 -7.842 0.351 166 HB3 GLN 27 2HB GLN 27 -9.372 -9.140 1.487 167 HG2 GLN 27 1HG GLN 27 -9.799 -7.208 3.164 168 HG3 GLN 27 2HG GLN 27 -9.960 -6.224 1.711 169 HE21 GLN 27 1HE2 GLN 27 -11.265 -7.709 -0.030 170 HE22 GLN 27 2HE2 GLN 27 -12.811 -8.195 0.567 171 H TYR 28 H TYR 28 -8.191 -5.628 2.587 172 HA TYR 28 HA TYR 28 -6.049 -4.469 0.929 173 HB2 TYR 28 1HB TYR 28 -8.914 -3.608 1.236 174 HB3 TYR 28 2HB TYR 28 -7.670 -2.466 0.739 175 HD1 TYR 28 2HD TYR 28 -9.459 -5.551 -0.206 176 HD2 TYR 28 1HD TYR 28 -6.771 -2.505 -1.472 177 HE1 TYR 28 2HE TYR 28 -9.698 -6.314 -2.532 178 HE2 TYR 28 1HE TYR 28 -7.003 -3.260 -3.801 179 HH TYR 28 HH TYR 28 -7.629 -5.327 -5.013 180 H ALA 29 H ALA 29 -5.062 -2.573 1.708 181 HA ALA 29 HA ALA 29 -5.457 -2.121 4.593 182 HB1 ALA 29 1HB ALA 29 -3.237 -3.077 3.695 183 HB2 ALA 29 2HB ALA 29 -2.930 -1.431 3.141 184 HB3 ALA 29 3HB ALA 29 -3.179 -1.751 4.857 185 H THR 30 H THR 30 -5.980 -0.139 5.284 186 HA THR 30 HA THR 30 -6.313 1.964 3.289 187 HB THR 30 HB THR 30 -7.190 1.992 6.181 188 HG1 THR 30 1HG THR 30 -9.291 1.657 4.738 189 HG21 THR 30 1HG2 THR 30 -8.280 3.940 5.744 190 HG22 THR 30 2HG2 THR 30 -8.585 3.518 4.059 191 HG23 THR 30 3HG2 THR 30 -6.996 4.105 4.547 192 H CYS 31 H CYS 31 -4.668 3.308 2.977 193 HA CYS 31 HA CYS 31 -2.482 3.631 4.699 194 HB2 CYS 31 1HB CYS 31 -2.616 4.171 2.212 195 HB3 CYS 31 2HB CYS 31 -3.389 5.682 2.681 196 H ARG 32 H ARG 32 -2.178 4.812 6.472 197 HA ARG 32 HA ARG 32 -4.334 6.504 7.423 198 HB2 ARG 32 1HB ARG 32 -1.728 5.692 8.725 199 HB3 ARG 32 2HB ARG 32 -3.006 6.612 9.509 200 HG2 ARG 32 1HG ARG 32 -4.533 4.724 9.245 201 HG3 ARG 32 2HG ARG 32 -3.251 3.801 8.456 202 HD2 ARG 32 1HD ARG 32 -3.211 3.055 10.669 203 HD3 ARG 32 2HD ARG 32 -1.895 4.226 10.586 204 HE ARG 32 HE ARG 32 -3.941 5.740 11.432 205 HH11 ARG 32 2HH1 ARG 32 -2.730 2.654 12.498 206 HH12 ARG 32 1HH1 ARG 32 -3.215 2.886 14.145 207 HH21 ARG 32 2HH2 ARG 32 -4.584 6.057 13.598 208 HH22 ARG 32 1HH2 ARG 32 -4.270 4.821 14.769 209 H LEU 33 H LEU 33 -1.738 6.966 5.466 210 HA LEU 33 HA LEU 33 -0.949 9.562 6.510 211 HB2 LEU 33 1HB LEU 33 -0.031 7.828 4.251 212 HB3 LEU 33 2HB LEU 33 0.432 9.527 4.316 213 HG LEU 33 HG LEU 33 1.046 7.489 6.454 214 HD11 LEU 33 1HD1 LEU 33 2.181 7.517 4.015 215 HD12 LEU 33 2HD1 LEU 33 3.034 7.059 5.488 216 HD13 LEU 33 3HD1 LEU 33 3.200 8.693 4.846 217 HD21 LEU 33 1HD2 LEU 33 0.938 10.251 6.618 218 HD22 LEU 33 2HD2 LEU 33 2.648 9.903 6.360 219 HD23 LEU 33 3HD2 LEU 33 1.792 9.165 7.715 220 H CYS 34 H CYS 34 -2.384 8.264 3.520 221 HA CYS 34 HA CYS 34 -3.442 10.956 2.962 222 HB2 CYS 34 1HB CYS 34 -3.562 10.269 0.603 223 HB3 CYS 34 2HB CYS 34 -1.920 10.145 1.227 224 H GLY 35 H GLY 35 -4.215 7.501 2.952 225 HA2 GLY 35 1HA GLY 35 -6.352 6.803 3.871 226 HA3 GLY 35 2HA GLY 35 -7.063 8.247 3.165 227 H ARG 36 H ARG 36 -4.779 6.224 1.452 228 HA ARG 36 HA ARG 36 -6.916 5.546 -0.447 229 HB2 ARG 36 1HB ARG 36 -3.954 5.914 -0.713 230 HB3 ARG 36 2HB ARG 36 -4.815 4.918 -1.879 231 HG2 ARG 36 1HG ARG 36 -6.371 6.945 -2.149 232 HG3 ARG 36 2HG ARG 36 -5.085 7.850 -1.347 233 HD2 ARG 36 1HD ARG 36 -3.548 6.745 -3.118 234 HD3 ARG 36 2HD ARG 36 -5.050 6.449 -3.992 235 HE ARG 36 HE ARG 36 -4.870 9.161 -3.189 236 HH11 ARG 36 2HH1 ARG 36 -3.619 6.884 -5.506 237 HH12 ARG 36 1HH1 ARG 36 -3.287 8.089 -6.706 238 HH21 ARG 36 2HH2 ARG 36 -4.438 10.757 -4.761 239 HH22 ARG 36 1HH2 ARG 36 -3.753 10.292 -6.281 240 H GLN 37 H GLN 37 -7.223 3.441 -1.159 241 HA GLN 37 HA GLN 37 -6.466 1.397 0.727 242 HB2 GLN 37 1HB GLN 37 -8.108 1.281 -1.807 243 HB3 GLN 37 2HB GLN 37 -7.867 -0.079 -0.718 244 HG2 GLN 37 1HG GLN 37 -8.847 1.416 1.096 245 HG3 GLN 37 2HG GLN 37 -9.366 2.468 -0.221 246 HE21 GLN 37 1HE2 GLN 37 -10.270 -0.020 1.736 247 HE22 GLN 37 2HE2 GLN 37 -11.556 -0.678 0.788 248 H VAL 38 H VAL 38 -4.786 0.072 0.566 249 HA VAL 38 HA VAL 38 -3.578 -0.367 -2.083 250 HB VAL 38 HB VAL 38 -2.028 -0.012 0.485 251 HG11 VAL 38 1HG1 VAL 38 -1.334 -1.361 -1.833 252 HG12 VAL 38 2HG1 VAL 38 -0.568 0.219 -2.006 253 HG13 VAL 38 3HG1 VAL 38 -0.231 -0.775 -0.588 254 HG21 VAL 38 1HG2 VAL 38 -2.307 2.175 0.129 255 HG22 VAL 38 2HG2 VAL 38 -1.247 1.970 -1.266 256 HG23 VAL 38 3HG2 VAL 38 -2.997 1.910 -1.472 257 H SER 39 H SER 39 -3.583 -2.444 -2.603 258 HA SER 39 HA SER 39 -3.938 -4.453 -0.523 259 HB2 SER 39 1HB SER 39 -4.320 -6.003 -2.434 260 HB3 SER 39 2HB SER 39 -5.404 -4.612 -2.455 261 HG SER 39 HG SER 39 -4.660 -4.245 -4.375 262 H ARG 40 H ARG 40 -2.545 -6.165 -0.160 263 HA ARG 40 HA ARG 40 0.223 -5.640 -0.726 264 HB2 ARG 40 1HB ARG 40 -1.121 -7.943 0.697 265 HB3 ARG 40 2HB ARG 40 0.619 -7.708 0.603 266 HG2 ARG 40 1HG ARG 40 0.531 -5.765 1.933 267 HG3 ARG 40 2HG ARG 40 -1.223 -5.648 1.776 268 HD2 ARG 40 1HD ARG 40 -0.853 -6.505 3.932 269 HD3 ARG 40 2HD ARG 40 -1.323 -7.896 2.956 270 HE ARG 40 HE ARG 40 0.801 -8.763 3.198 271 HH11 ARG 40 2HH1 ARG 40 0.687 -5.504 4.418 272 HH12 ARG 40 1HH1 ARG 40 2.237 -5.597 5.185 273 HH21 ARG 40 2HH2 ARG 40 2.844 -8.898 4.204 274 HH22 ARG 40 1HH2 ARG 40 3.464 -7.528 5.062 275 H GLY 41 H GLY 41 -1.586 -8.689 -1.107 276 HA2 GLY 41 1HA GLY 41 -1.818 -9.571 -3.423 277 HA3 GLY 41 2HA GLY 41 -0.147 -9.079 -3.660 278 HA PRO 42 HA PRO 42 -0.303 -13.577 -2.419 279 HB2 PRO 42 1HB PRO 42 1.169 -14.477 -4.515 280 HB3 PRO 42 2HB PRO 42 -0.588 -14.297 -4.582 281 HG2 PRO 42 1HG PRO 42 1.544 -12.465 -5.612 282 HG3 PRO 42 2HG PRO 42 0.025 -12.959 -6.383 283 HD2 PRO 42 1HD PRO 42 0.318 -10.572 -5.137 284 HD3 PRO 42 2HD PRO 42 -1.226 -11.447 -5.173 285 H GLY 43 H GLY 43 1.563 -14.988 -1.939 286 HA2 GLY 43 1HA GLY 43 3.482 -15.128 -0.631 287 HA3 GLY 43 2HA GLY 43 4.199 -14.603 -2.147 288 H VAL 44 H VAL 44 2.791 -13.413 0.877 289 HA VAL 44 HA VAL 44 4.262 -10.895 0.532 290 HB VAL 44 HB VAL 44 2.775 -9.848 1.958 291 HG11 VAL 44 1HG1 VAL 44 0.592 -10.324 1.175 292 HG12 VAL 44 2HG1 VAL 44 1.692 -10.755 -0.137 293 HG13 VAL 44 3HG1 VAL 44 0.990 -12.016 0.878 294 HG21 VAL 44 1HG2 VAL 44 2.778 -10.995 3.942 295 HG22 VAL 44 2HG2 VAL 44 1.153 -11.371 3.367 296 HG23 VAL 44 3HG2 VAL 44 2.452 -12.548 3.172 297 H ASN 45 H ASN 45 4.894 -9.961 2.827 298 HA ASN 45 HA ASN 45 6.292 -10.064 4.619 299 HB2 ASN 45 1HB ASN 45 4.509 -11.928 5.195 300 HB3 ASN 45 2HB ASN 45 5.873 -13.008 4.924 301 HD21 ASN 45 1HD2 ASN 45 4.342 -12.262 7.361 302 HD22 ASN 45 2HD2 ASN 45 5.537 -11.752 8.500 303 H VAL 46 H VAL 46 7.444 -10.238 2.124 304 HA VAL 46 HA VAL 46 9.672 -12.117 2.578 305 HB VAL 46 HB VAL 46 8.288 -12.636 0.559 306 HG11 VAL 46 1HG1 VAL 46 8.893 -9.821 0.012 307 HG12 VAL 46 2HG1 VAL 46 9.136 -10.903 -1.361 308 HG13 VAL 46 3HG1 VAL 46 7.565 -10.830 -0.561 309 HG21 VAL 46 1HG2 VAL 46 10.819 -13.063 0.877 310 HG22 VAL 46 2HG2 VAL 46 10.119 -13.252 -0.730 311 HG23 VAL 46 3HG2 VAL 46 11.020 -11.790 -0.327 312 H GLY 47 H GLY 47 9.350 -9.352 3.541 313 HA2 GLY 47 1HA GLY 47 11.449 -8.075 3.871 314 HA3 GLY 47 2HA GLY 47 11.646 -8.141 2.126 315 H THR 48 H THR 48 11.119 -6.348 1.090 316 HA THR 48 HA THR 48 10.043 -4.084 2.284 317 HB THR 48 HB THR 48 9.867 -4.741 -0.661 318 HG1 THR 48 1HG THR 48 12.014 -3.938 0.977 319 HG21 THR 48 1HG2 THR 48 10.467 -2.005 0.110 320 HG22 THR 48 2HG2 THR 48 8.917 -2.554 0.748 321 HG23 THR 48 3HG2 THR 48 9.231 -2.622 -0.986 322 H THR 49 H THR 49 8.133 -4.302 3.353 323 HA THR 49 HA THR 49 5.904 -5.762 2.497 324 HB THR 49 HB THR 49 5.635 -3.284 4.177 325 HG1 THR 49 1HG THR 49 6.831 -4.155 5.689 326 HG21 THR 49 1HG2 THR 49 4.210 -5.901 3.902 327 HG22 THR 49 2HG2 THR 49 3.551 -4.265 3.933 328 HG23 THR 49 3HG2 THR 49 4.130 -5.011 5.422 329 H ALA 50 H ALA 50 4.394 -5.393 1.009 330 HA ALA 50 HA ALA 50 4.434 -3.644 -1.008 331 HB1 ALA 50 1HB ALA 50 1.887 -4.443 0.397 332 HB2 ALA 50 2HB ALA 50 2.040 -3.912 -1.278 333 HB3 ALA 50 3HB ALA 50 2.765 -5.436 -0.766 334 H LEU 51 H LEU 51 3.380 -2.900 2.247 335 HA LEU 51 HA LEU 51 2.123 -0.444 1.767 336 HB2 LEU 51 1HB LEU 51 3.735 -1.161 4.207 337 HB3 LEU 51 2HB LEU 51 2.421 0.009 4.099 338 HG LEU 51 HG LEU 51 2.055 -2.956 3.697 339 HD11 LEU 51 1HD1 LEU 51 2.459 -1.455 6.125 340 HD12 LEU 51 2HD1 LEU 51 2.289 -3.195 5.892 341 HD13 LEU 51 3HD1 LEU 51 0.855 -2.188 6.089 342 HD21 LEU 51 1HD2 LEU 51 -0.073 -1.025 4.495 343 HD22 LEU 51 2HD2 LEU 51 -0.205 -2.551 3.620 344 HD23 LEU 51 3HD2 LEU 51 0.421 -1.117 2.804 345 H TRP 52 H TRP 52 5.478 -1.080 2.795 346 HA TRP 52 HA TRP 52 6.468 1.464 2.862 347 HB2 TRP 52 1HB TRP 52 7.756 -1.105 1.956 348 HB3 TRP 52 2HB TRP 52 8.660 0.404 2.048 349 HD1 TRP 52 HD TRP 52 7.475 -2.449 4.151 350 HE1 TRP 52 1HE TRP 52 8.132 -2.058 6.609 351 HE3 TRP 52 3HE TRP 52 8.921 2.444 3.836 352 HZ2 TRP 52 2HZ TRP 52 9.130 0.046 8.203 353 HZ3 TRP 52 3HZ TRP 52 9.714 3.573 5.874 354 HH2 TRP 52 HH TRP 52 9.815 2.397 8.011 355 H LYS 53 H LYS 53 6.447 -0.640 -0.018 356 HA LYS 53 HA LYS 53 7.550 0.942 -1.905 357 HB2 LYS 53 1HB LYS 53 5.063 -0.753 -2.150 358 HB3 LYS 53 2HB LYS 53 5.885 -0.041 -3.532 359 HG2 LYS 53 1HG LYS 53 7.773 -1.384 -3.251 360 HG3 LYS 53 2HG LYS 53 7.337 -1.805 -1.593 361 HD2 LYS 53 1HD LYS 53 6.713 -3.728 -2.664 362 HD3 LYS 53 2HD LYS 53 5.206 -2.816 -2.783 363 HE2 LYS 53 1HE LYS 53 5.653 -2.207 -5.031 364 HE3 LYS 53 2HE LYS 53 7.320 -2.772 -4.925 365 HZ1 LYS 53 1HZ LYS 53 5.181 -4.709 -4.439 366 HZ2 LYS 53 2HZ LYS 53 6.701 -4.934 -5.147 367 HZ3 LYS 53 3HZ LYS 53 5.452 -4.219 -6.036 368 H HIS 54 H HIS 54 4.217 1.210 -0.722 369 HA HIS 54 HA HIS 54 3.497 3.356 -2.436 370 HB2 HIS 54 1HB HIS 54 1.812 1.920 -1.393 371 HB3 HIS 54 2HB HIS 54 2.296 2.488 0.202 372 HD1 HIS 54 1HD HIS 54 0.838 3.897 -3.012 373 HD2 HIS 54 2HD HIS 54 0.894 4.640 1.076 374 HE1 HIS 54 1HE HIS 54 -0.763 5.804 -2.653 375 H LEU 55 H LEU 55 4.608 3.209 0.929 376 HA LEU 55 HA LEU 55 4.395 5.922 1.541 377 HB2 LEU 55 1HB LEU 55 6.448 3.949 2.530 378 HB3 LEU 55 2HB LEU 55 6.052 5.490 3.287 379 HG LEU 55 HG LEU 55 4.043 3.272 2.964 380 HD11 LEU 55 1HD1 LEU 55 4.639 2.324 4.952 381 HD12 LEU 55 2HD1 LEU 55 5.379 3.802 5.565 382 HD13 LEU 55 3HD1 LEU 55 6.228 2.822 4.370 383 HD21 LEU 55 1HD2 LEU 55 4.003 5.357 5.089 384 HD22 LEU 55 2HD2 LEU 55 2.666 4.510 4.311 385 HD23 LEU 55 3HD2 LEU 55 3.510 5.800 3.455 386 H LYS 56 H LYS 56 7.020 4.116 0.013 387 HA LYS 56 HA LYS 56 8.682 6.477 -0.208 388 HB2 LYS 56 1HB LYS 56 9.101 3.759 -1.459 389 HB3 LYS 56 2HB LYS 56 10.307 5.022 -1.247 390 HG2 LYS 56 1HG LYS 56 10.602 4.566 0.960 391 HG3 LYS 56 2HG LYS 56 8.941 4.010 1.182 392 HD2 LYS 56 1HD LYS 56 9.418 1.908 0.201 393 HD3 LYS 56 2HD LYS 56 10.974 2.468 -0.417 394 HE2 LYS 56 1HE LYS 56 11.500 2.875 2.108 395 HE3 LYS 56 2HE LYS 56 10.188 1.727 2.370 396 HZ1 LYS 56 1HZ LYS 56 11.782 0.600 0.431 397 HZ2 LYS 56 2HZ LYS 56 11.675 0.133 2.053 398 HZ3 LYS 56 3HZ LYS 56 12.865 1.232 1.567 399 H SER 57 H SER 57 6.098 5.218 -1.902 400 HA SER 57 HA SER 57 6.975 5.970 -4.550 401 HB2 SER 57 1HB SER 57 5.435 4.085 -4.276 402 HB3 SER 57 2HB SER 57 4.243 5.150 -3.532 403 HG SER 57 HG SER 57 4.545 6.367 -5.652 404 H MET 58 H MET 58 4.702 7.206 -2.124 405 HA MET 58 HA MET 58 4.701 9.775 -3.568 406 HB2 MET 58 1HB MET 58 2.421 10.155 -2.853 407 HB3 MET 58 2HB MET 58 2.513 8.619 -3.703 408 HG2 MET 58 1HG MET 58 2.296 7.384 -1.725 409 HG3 MET 58 2HG MET 58 2.652 8.783 -0.715 410 HE1 MET 58 1HE MET 58 -1.094 9.064 -3.314 411 HE2 MET 58 2HE MET 58 0.593 9.113 -3.828 412 HE3 MET 58 3HE MET 58 -0.166 7.568 -3.438 413 H HIS 59 H HIS 59 4.584 8.147 -0.443 414 HA HIS 59 HA HIS 59 4.900 10.645 1.000 415 HB2 HIS 59 1HB HIS 59 4.906 7.800 2.029 416 HB3 HIS 59 2HB HIS 59 4.823 9.258 3.014 417 HD1 HIS 59 1HD HIS 59 2.600 10.802 2.424 418 HD2 HIS 59 2HD HIS 59 2.478 6.764 1.452 419 HE1 HIS 59 1HE HIS 59 0.162 10.249 2.153 420 H ARG 60 H ARG 60 6.977 9.512 -0.885 421 HA ARG 60 HA ARG 60 9.197 8.537 0.458 422 HB2 ARG 60 1HB ARG 60 9.197 8.570 -1.929 423 HB3 ARG 60 2HB ARG 60 8.988 10.315 -1.969 424 HG2 ARG 60 1HG ARG 60 11.262 10.392 -0.759 425 HG3 ARG 60 2HG ARG 60 11.433 8.725 -1.314 426 HD2 ARG 60 1HD ARG 60 12.474 10.241 -2.892 427 HD3 ARG 60 2HD ARG 60 11.066 9.476 -3.625 428 HE ARG 60 HE ARG 60 10.099 11.812 -2.623 429 HH11 ARG 60 2HH1 ARG 60 12.708 10.974 -4.770 430 HH12 ARG 60 1HH1 ARG 60 12.619 12.454 -5.667 431 HH21 ARG 60 2HH2 ARG 60 9.971 13.764 -3.796 432 HH22 ARG 60 1HH2 ARG 60 11.062 14.040 -5.112 433 H GLU 61 H GLU 61 7.955 11.800 0.251 434 HA GLU 61 HA GLU 61 10.281 13.082 1.291 435 HB2 GLU 61 1HB GLU 61 7.430 13.909 0.862 436 HB3 GLU 61 2HB GLU 61 8.518 14.938 1.784 437 HG2 GLU 61 1HG GLU 61 10.081 14.684 -0.272 438 HG3 GLU 61 2HG GLU 61 8.603 14.208 -1.106 439 H GLU 62 H GLU 62 7.244 11.937 2.703 440 HA GLU 62 HA GLU 62 7.683 12.922 5.305 441 HB2 GLU 62 1HB GLU 62 5.482 12.182 4.528 442 HB3 GLU 62 2HB GLU 62 6.069 10.529 4.405 443 HG2 GLU 62 1HG GLU 62 5.940 10.167 6.626 444 HG3 GLU 62 2HG GLU 62 6.373 11.826 7.035 445 H LEU 63 H LEU 63 8.598 9.912 3.721 446 HA LEU 63 HA LEU 63 9.529 8.587 6.045 447 HB2 LEU 63 1HB LEU 63 10.362 8.190 3.176 448 HB3 LEU 63 2HB LEU 63 10.638 7.062 4.502 449 HG LEU 63 HG LEU 63 7.960 7.826 3.337 450 HD11 LEU 63 1HD1 LEU 63 9.367 6.362 1.918 451 HD12 LEU 63 2HD1 LEU 63 7.894 5.579 2.488 452 HD13 LEU 63 3HD1 LEU 63 9.442 5.203 3.245 453 HD21 LEU 63 1HD2 LEU 63 8.760 6.213 5.722 454 HD22 LEU 63 2HD2 LEU 63 7.312 5.780 4.811 455 HD23 LEU 63 3HD2 LEU 63 7.450 7.380 5.543 456 H GLU 64 H GLU 64 11.344 10.150 3.398 457 HA GLU 64 HA GLU 64 13.886 9.942 4.403 458 HB2 GLU 64 1HB GLU 64 12.568 12.092 2.767 459 HB3 GLU 64 2HB GLU 64 14.261 12.215 3.226 460 HG2 GLU 64 1HG GLU 64 14.490 9.870 2.198 461 HG3 GLU 64 2HG GLU 64 12.938 10.216 1.437 462 H LYS 65 H LYS 65 11.619 12.627 4.991 463 HA LYS 65 HA LYS 65 13.142 14.208 6.629 464 HB2 LYS 65 1HB LYS 65 10.198 13.599 6.633 465 HB3 LYS 65 2HB LYS 65 10.890 14.721 7.798 466 HG2 LYS 65 1HG LYS 65 11.883 15.911 5.747 467 HG3 LYS 65 2HG LYS 65 10.707 14.975 4.822 468 HD2 LYS 65 1HD LYS 65 9.958 16.690 7.181 469 HD3 LYS 65 2HD LYS 65 9.969 17.287 5.520 470 HE2 LYS 65 1HE LYS 65 8.382 15.482 4.914 471 HE3 LYS 65 2HE LYS 65 8.318 15.010 6.611 472 HZ1 LYS 65 1HZ LYS 65 6.583 16.671 5.549 473 HZ2 LYS 65 2HZ LYS 65 7.763 17.805 5.979 474 HZ3 LYS 65 3HZ LYS 65 7.079 16.807 7.161 475 H SER 66 H SER 66 11.252 11.356 7.555 476 HA SER 66 HA SER 66 12.293 11.527 10.280 477 HB2 SER 66 1HB SER 66 10.168 9.803 9.002 478 HB3 SER 66 2HB SER 66 10.735 9.551 10.653 479 HG SER 66 HG SER 66 8.813 11.020 10.158 480 H GLY 67 H GLY 67 12.846 9.287 11.263 481 HA2 GLY 67 1HA GLY 67 15.093 8.281 9.780 482 HA3 GLY 67 2HA GLY 67 14.575 7.757 11.375 483 H HIS 68 H HIS 68 12.981 7.731 8.190 484 HA HIS 68 HA HIS 68 12.708 4.811 8.462 485 HB2 HIS 68 1HB HIS 68 10.632 6.721 7.367 486 HB3 HIS 68 2HB HIS 68 10.482 4.968 7.431 487 HD1 HIS 68 1HD HIS 68 11.062 4.180 10.179 488 HD2 HIS 68 2HD HIS 68 9.145 7.771 9.348 489 HE1 HIS 68 1HE HIS 68 9.852 4.802 12.294 490 H GLY 69 H GLY 69 12.753 7.564 6.225 491 HA2 GLY 69 1HA GLY 69 12.713 6.373 3.784 492 HA3 GLY 69 2HA GLY 69 13.751 7.742 4.151 493 H GLN 70 H GLN 70 15.529 6.544 5.934 494 HA GLN 70 HA GLN 70 17.127 5.005 4.062 495 HB2 GLN 70 1HB GLN 70 17.765 6.097 6.807 496 HB3 GLN 70 2HB GLN 70 18.915 5.261 5.772 497 HG2 GLN 70 1HG GLN 70 18.979 7.002 4.228 498 HG3 GLN 70 2HG GLN 70 17.478 7.709 4.825 499 HE21 GLN 70 1HE2 GLN 70 20.762 7.995 4.808 500 HE22 GLN 70 2HE2 GLN 70 20.968 8.993 6.203 501 H SER 71 H SER 71 14.898 3.594 4.897 502 HA SER 71 HA SER 71 15.941 1.663 6.851 503 HB2 SER 71 1HB SER 71 13.147 2.291 5.904 504 HB3 SER 71 2HB SER 71 13.518 0.820 6.803 505 HG SER 71 HG SER 71 13.903 1.971 8.570 506 H GLY 72 H GLY 72 17.337 0.573 5.420 507 HA2 GLY 72 1HA GLY 72 16.387 -1.716 4.220 508 HA3 GLY 72 2HA GLY 72 16.428 -0.514 2.939 509 HA PRO 73 HA PRO 73 20.796 -2.180 4.280 510 HB2 PRO 73 1HB PRO 73 20.842 -4.774 3.479 511 HB3 PRO 73 2HB PRO 73 20.405 -4.282 5.119 512 HG2 PRO 73 1HG PRO 73 18.628 -5.011 2.823 513 HG3 PRO 73 2HG PRO 73 18.496 -5.473 4.530 514 HD2 PRO 73 1HD PRO 73 17.007 -3.494 3.437 515 HD3 PRO 73 2HD PRO 73 17.540 -3.463 5.130 516 H SER 74 H SER 74 18.763 -2.977 1.523 517 HA SER 74 HA SER 74 21.020 -2.326 -0.251 518 HB2 SER 74 1HB SER 74 20.363 -4.037 -1.804 519 HB3 SER 74 2HB SER 74 20.494 -4.790 -0.215 520 HG SER 74 HG SER 74 18.080 -3.885 -1.406 521 H SER 75 H SER 75 20.617 -0.786 -1.705 522 HA SER 75 HA SER 75 17.928 -0.305 -2.676 523 HB2 SER 75 1HB SER 75 18.209 1.007 -0.503 524 HB3 SER 75 2HB SER 75 19.398 1.983 -1.365 525 HG SER 75 HG SER 75 17.025 2.622 -1.325 526 H GLY 76 H GLY 76 18.378 -0.429 -4.790 527 HA2 GLY 76 1HA GLY 76 20.373 1.454 -5.855 528 HA3 GLY 76 2HA GLY 76 20.427 -0.231 -6.351
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