NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505594 | 2ytd | 10307 | 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 -0.235 -28.264 4.971 2 HA2 GLY 1 1HA GLY 1 0.933 -26.561 2.905 3 HA3 GLY 1 2HA GLY 1 -0.806 -26.806 2.842 4 H SER 2 H SER 2 -0.937 -24.479 3.106 5 HA SER 2 HA SER 2 -0.330 -23.534 5.818 6 HB2 SER 2 1HB SER 2 -0.729 -22.159 3.184 7 HB3 SER 2 2HB SER 2 -1.005 -21.267 4.679 8 HG SER 2 HG SER 2 1.294 -21.724 3.505 9 H SER 3 H SER 3 -1.942 -22.067 6.822 10 HA SER 3 HA SER 3 -4.708 -22.670 6.055 11 HB2 SER 3 1HB SER 3 -5.343 -23.319 8.252 12 HB3 SER 3 2HB SER 3 -3.870 -24.222 7.898 13 HG SER 3 HG SER 3 -3.409 -23.392 9.821 14 H GLY 4 H GLY 4 -6.181 -21.058 6.470 15 HA2 GLY 4 1HA GLY 4 -6.188 -18.997 8.203 16 HA3 GLY 4 2HA GLY 4 -5.050 -18.441 6.985 17 H SER 5 H SER 5 -5.945 -17.105 5.579 18 HA SER 5 HA SER 5 -7.646 -15.922 4.549 19 HB2 SER 5 1HB SER 5 -8.529 -17.171 2.653 20 HB3 SER 5 2HB SER 5 -6.833 -17.590 2.899 21 HG SER 5 HG SER 5 -9.129 -19.126 3.289 22 H SER 6 H SER 6 -8.508 -16.618 7.100 23 HA SER 6 HA SER 6 -11.235 -17.628 6.763 24 HB2 SER 6 1HB SER 6 -9.725 -16.965 9.303 25 HB3 SER 6 2HB SER 6 -11.300 -17.753 9.207 26 HG SER 6 HG SER 6 -8.761 -18.765 8.686 27 H GLY 7 H GLY 7 -12.900 -16.285 6.596 28 HA2 GLY 7 1HA GLY 7 -14.245 -14.463 7.253 29 HA3 GLY 7 2HA GLY 7 -12.829 -13.707 7.969 30 H SER 8 H SER 8 -14.217 -14.609 4.825 31 HA SER 8 HA SER 8 -12.570 -13.120 3.177 32 HB2 SER 8 1HB SER 8 -14.254 -14.711 2.341 33 HB3 SER 8 2HB SER 8 -15.540 -13.609 2.834 34 HG SER 8 HG SER 8 -13.848 -13.500 0.654 35 H GLY 9 H GLY 9 -12.687 -11.042 2.282 36 HA2 GLY 9 1HA GLY 9 -14.038 -8.947 2.142 37 HA3 GLY 9 2HA GLY 9 -14.288 -9.132 3.871 38 H GLU 10 H GLU 10 -12.190 -7.999 1.397 39 HA GLU 10 HA GLU 10 -10.426 -6.870 3.455 40 HB2 GLU 10 1HB GLU 10 -9.446 -8.913 2.233 41 HB3 GLU 10 2HB GLU 10 -9.340 -7.860 0.829 42 HG2 GLU 10 1HG GLU 10 -8.176 -6.900 3.383 43 HG3 GLU 10 2HG GLU 10 -7.326 -8.166 2.500 44 H LYS 11 H LYS 11 -9.923 -4.771 3.173 45 HA LYS 11 HA LYS 11 -11.357 -3.022 1.717 46 HB2 LYS 11 1HB LYS 11 -8.544 -2.946 2.705 47 HB3 LYS 11 2HB LYS 11 -9.083 -1.652 1.642 48 HG2 LYS 11 1HG LYS 11 -10.538 -0.802 3.182 49 HG3 LYS 11 2HG LYS 11 -10.783 -2.360 3.975 50 HD2 LYS 11 1HD LYS 11 -8.096 -1.062 4.093 51 HD3 LYS 11 2HD LYS 11 -9.387 -0.475 5.144 52 HE2 LYS 11 1HE LYS 11 -8.860 -3.405 5.004 53 HE3 LYS 11 2HE LYS 11 -7.753 -2.387 5.923 54 HZ1 LYS 11 3HZ LYS 11 -9.191 -2.498 7.586 55 HZ2 LYS 11 1HZ LYS 11 -10.336 -3.303 6.635 56 HZ3 LYS 11 2HZ LYS 11 -10.297 -1.612 6.663 57 HA PRO 12 HA PRO 12 -10.475 -3.598 -2.557 58 HB2 PRO 12 1HB PRO 12 -11.169 -1.141 -3.479 59 HB3 PRO 12 2HB PRO 12 -12.357 -2.343 -2.961 60 HG2 PRO 12 1HG PRO 12 -11.269 0.010 -1.466 61 HG3 PRO 12 2HG PRO 12 -12.940 -0.573 -1.571 62 HD2 PRO 12 1HD PRO 12 -11.350 -1.085 0.560 63 HD3 PRO 12 2HD PRO 12 -12.597 -2.219 0.006 64 H TYR 13 H TYR 13 -9.158 -0.776 -0.893 65 HA TYR 13 HA TYR 13 -6.990 -0.638 -2.871 66 HB2 TYR 13 1HB TYR 13 -7.603 1.402 -0.734 67 HB3 TYR 13 2HB TYR 13 -6.599 1.606 -2.165 68 HD1 TYR 13 HD1 TYR 13 -7.707 1.625 -4.431 69 HD2 TYR 13 HD2 TYR 13 -9.922 1.830 -0.804 70 HE1 TYR 13 HE1 TYR 13 -9.644 2.497 -5.671 71 HE2 TYR 13 HE2 TYR 13 -11.866 2.701 -2.034 72 HH TYR 13 HH TYR 13 -12.472 2.407 -4.965 73 H LYS 14 H LYS 14 -4.980 -1.218 -2.347 74 HA LYS 14 HA LYS 14 -4.219 -1.385 0.477 75 HB2 LYS 14 1HB LYS 14 -5.020 -3.635 -0.478 76 HB3 LYS 14 2HB LYS 14 -3.543 -3.612 -1.433 77 HG2 LYS 14 1HG LYS 14 -2.457 -3.168 0.943 78 HG3 LYS 14 2HG LYS 14 -3.918 -4.000 1.481 79 HD2 LYS 14 1HD LYS 14 -3.387 -5.931 0.189 80 HD3 LYS 14 2HD LYS 14 -2.077 -5.089 -0.642 81 HE2 LYS 14 1HE LYS 14 -0.953 -4.846 1.589 82 HE3 LYS 14 2HE LYS 14 -2.191 -5.910 2.255 83 HZ1 LYS 14 3HZ LYS 14 -1.295 -7.277 0.095 84 HZ2 LYS 14 1HZ LYS 14 -0.806 -7.544 1.693 85 HZ3 LYS 14 2HZ LYS 14 0.120 -6.557 0.679 86 H CYS 15 H CYS 15 -2.170 -0.757 0.883 87 HA CYS 15 HA CYS 15 -0.670 0.454 -1.233 88 HB2 CYS 15 1HB CYS 15 -0.627 1.532 0.902 89 HB3 CYS 15 2HB CYS 15 -0.112 0.053 1.707 90 H SER 16 H SER 16 0.678 -0.559 -2.549 91 HA SER 16 HA SER 16 1.748 -3.168 -1.778 92 HB2 SER 16 1HB SER 16 0.583 -2.866 -3.983 93 HB3 SER 16 2HB SER 16 1.904 -1.806 -4.475 94 HG SER 16 HG SER 16 2.478 -4.375 -3.499 95 H GLU 17 H GLU 17 2.899 -1.091 -0.394 96 HA GLU 17 HA GLU 17 5.613 -1.068 -1.527 97 HB2 GLU 17 1HB GLU 17 4.203 1.233 -0.167 98 HB3 GLU 17 2HB GLU 17 5.920 1.206 -0.543 99 HG2 GLU 17 1HG GLU 17 3.680 1.048 -2.547 100 HG3 GLU 17 2HG GLU 17 4.651 2.475 -2.190 101 H CYS 18 H CYS 18 3.625 -0.729 1.385 102 HA CYS 18 HA CYS 18 5.869 -1.834 2.944 103 HB2 CYS 18 1HB CYS 18 4.996 -0.600 4.892 104 HB3 CYS 18 2HB CYS 18 5.446 0.484 3.580 105 H GLY 19 H GLY 19 2.337 -1.638 2.664 106 HA2 GLY 19 1HA GLY 19 1.304 -3.949 2.659 107 HA3 GLY 19 2HA GLY 19 2.164 -4.169 4.176 108 H LYS 20 H LYS 20 0.575 -1.196 3.184 109 HA LYS 20 HA LYS 20 -1.167 -1.425 5.529 110 HB2 LYS 20 1HB LYS 20 -0.253 0.901 3.852 111 HB3 LYS 20 2HB LYS 20 -1.614 1.049 4.956 112 HG2 LYS 20 1HG LYS 20 -0.222 0.537 6.837 113 HG3 LYS 20 2HG LYS 20 1.143 0.165 5.782 114 HD2 LYS 20 1HD LYS 20 0.947 2.562 4.949 115 HD3 LYS 20 2HD LYS 20 -0.130 2.838 6.320 116 HE2 LYS 20 1HE LYS 20 2.549 1.588 6.759 117 HE3 LYS 20 2HE LYS 20 2.425 3.332 6.533 118 HZ1 LYS 20 3HZ LYS 20 2.345 2.759 8.868 119 HZ2 LYS 20 1HZ LYS 20 1.016 1.744 8.610 120 HZ3 LYS 20 2HZ LYS 20 0.862 3.413 8.385 121 H ALA 21 H ALA 21 -3.399 -0.516 5.293 122 HA ALA 21 HA ALA 21 -4.555 -0.725 2.632 123 HB1 ALA 21 3HB ALA 21 -5.122 -2.662 4.843 124 HB2 ALA 21 1HB ALA 21 -6.345 -2.295 3.626 125 HB3 ALA 21 2HB ALA 21 -4.793 -2.979 3.140 126 H PHE 22 H PHE 22 -6.486 0.368 2.403 127 HA PHE 22 HA PHE 22 -7.701 1.550 4.786 128 HB2 PHE 22 1HB PHE 22 -7.105 3.281 2.397 129 HB3 PHE 22 2HB PHE 22 -7.561 3.775 4.024 130 HD1 PHE 22 HD1 PHE 22 -4.826 2.277 2.032 131 HD2 PHE 22 HD2 PHE 22 -5.936 4.232 5.646 132 HE1 PHE 22 HE1 PHE 22 -2.449 2.559 2.605 133 HE2 PHE 22 HE2 PHE 22 -3.561 4.517 6.225 134 HZ PHE 22 HZ PHE 22 -1.815 3.681 4.703 135 H HIS 23 H HIS 23 -9.829 2.478 4.373 136 HA HIS 23 HA HIS 23 -11.262 0.907 2.391 137 HB2 HIS 23 1HB HIS 23 -12.095 1.069 4.725 138 HB3 HIS 23 2HB HIS 23 -12.339 2.798 4.493 139 HD1 HIS 23 HD1 HIS 23 -13.831 -0.515 3.734 140 HD2 HIS 23 HD2 HIS 23 -14.519 3.478 2.817 141 HE1 HIS 23 HE1 HIS 23 -16.143 -0.441 2.749 142 H ARG 24 H ARG 24 -10.511 4.266 3.106 143 HA ARG 24 HA ARG 24 -11.979 5.114 0.712 144 HB2 ARG 24 1HB ARG 24 -10.825 6.702 3.009 145 HB3 ARG 24 2HB ARG 24 -11.591 7.422 1.599 146 HG2 ARG 24 1HG ARG 24 -13.363 7.409 3.013 147 HG3 ARG 24 2HG ARG 24 -13.565 5.808 2.300 148 HD2 ARG 24 1HD ARG 24 -12.370 4.817 4.192 149 HD3 ARG 24 2HD ARG 24 -12.166 6.419 4.901 150 HE ARG 24 HE ARG 24 -14.895 5.984 4.461 151 HH11 ARG 24 1HH1 ARG 24 -12.303 4.793 6.456 152 HH12 ARG 24 2HH1 ARG 24 -13.342 4.348 7.769 153 HH21 ARG 24 1HH2 ARG 24 -16.274 5.403 6.182 154 HH22 ARG 24 2HH2 ARG 24 -15.601 4.695 7.612 155 H HIS 25 H HIS 25 -10.766 4.971 -1.067 156 HA HIS 25 HA HIS 25 -8.117 4.747 -1.430 157 HB2 HIS 25 1HB HIS 25 -9.414 4.656 -3.378 158 HB3 HIS 25 2HB HIS 25 -10.155 6.224 -3.072 159 HD1 HIS 25 HD1 HIS 25 -8.318 8.298 -3.227 160 HD2 HIS 25 HD2 HIS 25 -7.437 4.759 -5.217 161 HE1 HIS 25 HE1 HIS 25 -6.573 8.903 -4.933 162 H THR 26 H THR 26 -9.817 7.809 -0.918 163 HA THR 26 HA THR 26 -7.894 9.670 -1.370 164 HB THR 26 HB THR 26 -9.743 9.630 1.024 165 HG1 THR 26 HG1 THR 26 -10.815 9.494 -1.015 166 HG21 THR 26 3HG2 THR 26 -8.021 11.286 1.346 167 HG22 THR 26 1HG2 THR 26 -9.517 12.106 0.900 168 HG23 THR 26 2HG2 THR 26 -8.239 11.891 -0.296 169 H HIS 27 H HIS 27 -8.371 8.151 1.827 170 HA HIS 27 HA HIS 27 -6.153 9.158 3.103 171 HB2 HIS 27 1HB HIS 27 -7.474 6.458 3.406 172 HB3 HIS 27 2HB HIS 27 -6.240 7.063 4.507 173 HD1 HIS 27 HD1 HIS 27 -9.079 6.417 5.508 174 HD2 HIS 27 HD2 HIS 27 -7.829 10.188 4.293 175 HE1 HIS 27 HE1 HIS 27 -10.631 8.038 6.642 176 H LEU 28 H LEU 28 -6.335 6.015 1.423 177 HA LEU 28 HA LEU 28 -3.784 5.125 1.685 178 HB2 LEU 28 1HB LEU 28 -5.319 3.764 0.538 179 HB3 LEU 28 2HB LEU 28 -5.642 5.007 -0.668 180 HG LEU 28 HG LEU 28 -3.278 4.669 -1.481 181 HD11 LEU 28 1HD1 LEU 28 -2.845 2.038 -0.700 182 HD12 LEU 28 2HD1 LEU 28 -3.269 2.884 0.787 183 HD13 LEU 28 3HD1 LEU 28 -1.927 3.459 -0.200 184 HD21 LEU 28 3HD2 LEU 28 -5.620 3.357 -2.095 185 HD22 LEU 28 1HD2 LEU 28 -4.462 2.043 -1.887 186 HD23 LEU 28 2HD2 LEU 28 -4.135 3.331 -3.047 187 H ASN 29 H ASN 29 -4.896 7.292 -0.919 188 HA ASN 29 HA ASN 29 -2.447 7.688 -2.165 189 HB2 ASN 29 1HB ASN 29 -4.703 8.437 -3.000 190 HB3 ASN 29 2HB ASN 29 -4.603 9.787 -1.874 191 HD21 ASN 29 1HD2 ASN 29 -4.526 11.400 -3.355 192 HD22 ASN 29 2HD2 ASN 29 -3.218 11.629 -4.460 193 H GLU 30 H GLU 30 -3.946 9.594 0.439 194 HA GLU 30 HA GLU 30 -1.976 11.530 0.719 195 HB2 GLU 30 1HB GLU 30 -4.306 11.198 1.903 196 HB3 GLU 30 2HB GLU 30 -3.330 10.434 3.149 197 HG2 GLU 30 1HG GLU 30 -2.568 13.130 2.134 198 HG3 GLU 30 2HG GLU 30 -3.893 12.969 3.285 199 H HIS 31 H HIS 31 -2.050 8.220 1.828 200 HA HIS 31 HA HIS 31 0.149 8.441 3.631 201 HB2 HIS 31 1HB HIS 31 -1.197 6.602 4.091 202 HB3 HIS 31 2HB HIS 31 -1.358 6.167 2.392 203 HD1 HIS 31 HD1 HIS 31 1.407 6.255 5.010 204 HD2 HIS 31 HD2 HIS 31 0.180 4.055 1.706 205 HE1 HIS 31 HE1 HIS 31 3.018 4.330 4.848 206 H ARG 32 H ARG 32 -0.143 6.974 0.392 207 HA ARG 32 HA ARG 32 2.382 6.175 -0.111 208 HB2 ARG 32 1HB ARG 32 0.343 7.487 -1.862 209 HB3 ARG 32 2HB ARG 32 1.942 7.156 -2.513 210 HG2 ARG 32 1HG ARG 32 1.653 4.887 -2.449 211 HG3 ARG 32 2HG ARG 32 0.481 4.964 -1.132 212 HD2 ARG 32 1HD ARG 32 -1.050 6.130 -2.826 213 HD3 ARG 32 2HD ARG 32 0.073 5.538 -4.050 214 HE ARG 32 HE ARG 32 -1.840 3.992 -2.549 215 HH11 ARG 32 1HH1 ARG 32 1.099 3.920 -4.415 216 HH12 ARG 32 2HH1 ARG 32 0.940 2.249 -4.843 217 HH21 ARG 32 1HH2 ARG 32 -2.060 1.791 -3.106 218 HH22 ARG 32 2HH2 ARG 32 -0.857 1.039 -4.099 219 H ARG 33 H ARG 33 1.289 9.481 0.134 220 HA ARG 33 HA ARG 33 3.211 10.953 -1.088 221 HB2 ARG 33 1HB ARG 33 1.797 11.342 1.529 222 HB3 ARG 33 2HB ARG 33 3.007 12.503 0.999 223 HG2 ARG 33 1HG ARG 33 1.745 12.966 -1.005 224 HG3 ARG 33 2HG ARG 33 0.567 11.722 -0.581 225 HD2 ARG 33 1HD ARG 33 -0.494 13.640 0.137 226 HD3 ARG 33 2HD ARG 33 0.306 13.096 1.611 227 HE ARG 33 HE ARG 33 1.488 15.039 1.589 228 HH11 ARG 33 1HH1 ARG 33 0.453 14.351 -1.663 229 HH12 ARG 33 2HH1 ARG 33 1.099 15.819 -2.318 230 HH21 ARG 33 1HH2 ARG 33 2.342 16.976 0.739 231 HH22 ARG 33 2HH2 ARG 33 2.174 17.311 -0.951 232 H ILE 34 H ILE 34 3.520 9.304 2.027 233 HA ILE 34 HA ILE 34 6.158 10.263 2.545 234 HB ILE 34 HB ILE 34 6.187 8.852 4.430 235 HG12 ILE 34 1HG1 ILE 34 4.156 7.124 4.557 236 HG13 ILE 34 2HG1 ILE 34 4.332 7.179 2.807 237 HG21 ILE 34 1HG2 ILE 34 3.564 10.063 3.768 238 HG22 ILE 34 2HG2 ILE 34 3.644 9.023 5.190 239 HG23 ILE 34 3HG2 ILE 34 4.691 10.438 5.072 240 HD11 ILE 34 3HD1 ILE 34 5.976 5.876 4.807 241 HD12 ILE 34 1HD1 ILE 34 5.860 5.591 3.071 242 HD13 ILE 34 2HD1 ILE 34 6.915 6.863 3.687 243 H HIS 35 H HIS 35 4.816 7.548 0.831 244 HA HIS 35 HA HIS 35 7.195 5.979 0.764 245 HB2 HIS 35 1HB HIS 35 4.545 5.914 -0.591 246 HB3 HIS 35 2HB HIS 35 5.869 5.038 -1.354 247 HD1 HIS 35 HD1 HIS 35 7.228 3.515 0.673 248 HD2 HIS 35 HD2 HIS 35 3.154 4.258 1.008 249 HE1 HIS 35 HE1 HIS 35 6.348 1.747 2.230 250 H THR 36 H THR 36 5.881 8.550 -1.200 251 HA THR 36 HA THR 36 7.789 8.163 -3.337 252 HB THR 36 HB THR 36 5.502 9.054 -3.768 253 HG1 THR 36 HG1 THR 36 6.463 11.018 -4.965 254 HG21 THR 36 3HG2 THR 36 5.478 11.670 -3.327 255 HG22 THR 36 1HG2 THR 36 6.513 11.204 -1.978 256 HG23 THR 36 2HG2 THR 36 4.892 10.523 -2.122 257 H GLY 37 H GLY 37 8.930 8.571 -0.730 258 HA2 GLY 37 1HA GLY 37 10.361 9.981 0.441 259 HA3 GLY 37 2HA GLY 37 11.111 10.065 -1.146 260 H TYR 38 H TYR 38 8.996 11.671 1.124 261 HA TYR 38 HA TYR 38 8.742 14.007 -0.592 262 HB2 TYR 38 1HB TYR 38 6.830 13.158 0.800 263 HB3 TYR 38 2HB TYR 38 7.732 13.638 2.233 264 HD1 TYR 38 HD2 TYR 38 8.229 16.058 2.616 265 HD2 TYR 38 HD1 TYR 38 5.623 14.750 -0.483 266 HE1 TYR 38 HE2 TYR 38 7.300 18.329 2.447 267 HE2 TYR 38 HE1 TYR 38 4.688 17.018 -0.662 268 HH TYR 38 HH TYR 38 5.026 19.331 1.624 269 H ARG 39 H ARG 39 10.792 14.874 -0.706 270 HA ARG 39 HA ARG 39 11.972 15.780 1.836 271 HB2 ARG 39 1HB ARG 39 13.328 15.364 -0.835 272 HB3 ARG 39 2HB ARG 39 14.115 15.889 0.647 273 HG2 ARG 39 1HG ARG 39 13.990 13.805 1.614 274 HG3 ARG 39 2HG ARG 39 12.627 13.306 0.611 275 HD2 ARG 39 1HD ARG 39 13.978 12.867 -1.227 276 HD3 ARG 39 2HD ARG 39 15.290 13.879 -0.625 277 HE ARG 39 HE ARG 39 14.718 11.567 1.001 278 HH11 ARG 39 1HH1 ARG 39 16.547 12.842 -1.673 279 HH12 ARG 39 2HH1 ARG 39 17.795 11.646 -1.559 280 HH21 ARG 39 1HH2 ARG 39 16.354 9.986 1.161 281 HH22 ARG 39 2HH2 ARG 39 17.684 10.021 0.052 282 HA PRO 40 HA PRO 40 11.136 19.946 0.688 283 HB2 PRO 40 1HB PRO 40 13.041 21.195 2.164 284 HB3 PRO 40 2HB PRO 40 11.590 20.481 2.876 285 HG2 PRO 40 1HG PRO 40 14.363 19.366 2.711 286 HG3 PRO 40 2HG PRO 40 13.228 19.347 4.074 287 HD2 PRO 40 1HD PRO 40 13.609 17.203 2.464 288 HD3 PRO 40 2HD PRO 40 12.046 17.559 3.227 289 H SER 41 H SER 41 14.619 19.169 0.820 290 HA SER 41 HA SER 41 15.266 21.134 -1.170 291 HB2 SER 41 1HB SER 41 16.933 18.912 0.037 292 HB3 SER 41 2HB SER 41 17.556 20.187 -1.010 293 HG SER 41 HG SER 41 16.984 20.255 1.644 294 H GLY 42 H GLY 42 15.420 20.894 -3.316 295 HA2 GLY 42 1HA GLY 42 14.826 18.237 -4.421 296 HA3 GLY 42 2HA GLY 42 14.610 19.768 -5.257 297 HA PRO 43 HA PRO 43 18.491 17.788 -6.839 298 HB2 PRO 43 1HB PRO 43 17.932 18.240 -9.457 299 HB3 PRO 43 2HB PRO 43 17.365 16.810 -8.587 300 HG2 PRO 43 1HG PRO 43 15.900 19.340 -9.231 301 HG3 PRO 43 2HG PRO 43 15.334 17.663 -9.333 302 HD2 PRO 43 1HD PRO 43 14.701 19.290 -7.263 303 HD3 PRO 43 2HD PRO 43 14.905 17.537 -7.072 304 H SER 44 H SER 44 16.925 20.849 -7.157 305 HA SER 44 HA SER 44 19.526 22.094 -7.746 306 HB2 SER 44 1HB SER 44 17.854 22.081 -9.702 307 HB3 SER 44 2HB SER 44 16.926 23.242 -8.753 308 HG SER 44 HG SER 44 18.368 24.734 -9.157 309 H SER 45 H SER 45 19.477 24.495 -7.187 310 HA SER 45 HA SER 45 17.952 24.878 -4.693 311 HB2 SER 45 1HB SER 45 20.422 24.531 -4.379 312 HB3 SER 45 2HB SER 45 20.691 26.013 -5.296 313 HG SER 45 HG SER 45 20.448 26.970 -3.447 314 H GLY 46 H GLY 46 16.494 26.440 -4.848 315 HA2 GLY 46 1HA GLY 46 17.185 28.973 -6.078 316 HA3 GLY 46 2HA GLY 46 15.914 28.080 -6.898 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.036 -16.588 18.384 2 HA2 GLY 1 1HA GLY 1 -2.627 -16.033 16.599 3 HA3 GLY 1 2HA GLY 1 -1.046 -15.368 16.211 4 H SER 2 H SER 2 -2.316 -18.687 16.042 5 HA SER 2 HA SER 2 -1.096 -19.092 13.479 6 HB2 SER 2 1HB SER 2 -1.298 -20.914 15.143 7 HB3 SER 2 2HB SER 2 -3.053 -20.854 14.975 8 HG SER 2 HG SER 2 -1.560 -21.149 12.644 9 H SER 3 H SER 3 -4.482 -19.137 14.600 10 HA SER 3 HA SER 3 -5.589 -19.251 11.998 11 HB2 SER 3 1HB SER 3 -7.724 -18.759 13.091 12 HB3 SER 3 2HB SER 3 -6.822 -19.956 14.020 13 HG SER 3 HG SER 3 -7.641 -18.383 15.406 14 H GLY 4 H GLY 4 -7.144 -17.516 11.198 15 HA2 GLY 4 1HA GLY 4 -5.853 -14.874 11.496 16 HA3 GLY 4 2HA GLY 4 -6.481 -15.473 9.968 17 H SER 5 H SER 5 -8.589 -15.163 9.467 18 HA SER 5 HA SER 5 -10.656 -14.213 9.539 19 HB2 SER 5 1HB SER 5 -10.528 -15.037 12.450 20 HB3 SER 5 2HB SER 5 -11.992 -14.621 11.560 21 HG SER 5 HG SER 5 -11.005 -16.420 10.085 22 H SER 6 H SER 6 -8.648 -12.375 9.657 23 HA SER 6 HA SER 6 -9.427 -10.465 11.744 24 HB2 SER 6 1HB SER 6 -7.026 -10.548 9.905 25 HB3 SER 6 2HB SER 6 -7.370 -9.220 11.015 26 HG SER 6 HG SER 6 -6.100 -11.457 11.546 27 H GLY 7 H GLY 7 -11.335 -9.652 10.904 28 HA2 GLY 7 1HA GLY 7 -12.504 -8.012 9.767 29 HA3 GLY 7 2HA GLY 7 -11.027 -7.616 8.899 30 H SER 8 H SER 8 -11.819 -7.528 6.851 31 HA SER 8 HA SER 8 -12.469 -10.071 5.615 32 HB2 SER 8 1HB SER 8 -14.570 -9.458 4.721 33 HB3 SER 8 2HB SER 8 -14.646 -8.968 6.413 34 HG SER 8 HG SER 8 -15.172 -7.103 5.593 35 H GLY 9 H GLY 9 -12.710 -9.783 3.181 36 HA2 GLY 9 1HA GLY 9 -10.425 -8.407 2.212 37 HA3 GLY 9 2HA GLY 9 -11.642 -9.207 1.229 38 H GLU 10 H GLU 10 -12.056 -7.730 -0.315 39 HA GLU 10 HA GLU 10 -12.770 -5.815 -1.318 40 HB2 GLU 10 1HB GLU 10 -14.230 -5.669 1.313 41 HB3 GLU 10 2HB GLU 10 -14.461 -4.470 0.049 42 HG2 GLU 10 1HG GLU 10 -15.492 -5.967 -1.372 43 HG3 GLU 10 2HG GLU 10 -14.785 -7.370 -0.573 44 H LYS 11 H LYS 11 -10.237 -5.601 -0.329 45 HA LYS 11 HA LYS 11 -10.159 -2.807 0.601 46 HB2 LYS 11 1HB LYS 11 -8.638 -5.191 1.559 47 HB3 LYS 11 2HB LYS 11 -7.826 -3.631 1.549 48 HG2 LYS 11 1HG LYS 11 -10.484 -4.072 2.878 49 HG3 LYS 11 2HG LYS 11 -8.942 -4.296 3.707 50 HD2 LYS 11 1HD LYS 11 -8.399 -1.913 2.924 51 HD3 LYS 11 2HD LYS 11 -10.126 -1.774 2.584 52 HE2 LYS 11 1HE LYS 11 -9.759 -0.901 4.768 53 HE3 LYS 11 2HE LYS 11 -10.554 -2.463 4.954 54 HZ1 LYS 11 3HZ LYS 11 -7.832 -1.669 5.651 55 HZ2 LYS 11 1HZ LYS 11 -8.054 -3.250 5.092 56 HZ3 LYS 11 2HZ LYS 11 -8.895 -2.710 6.456 57 HA PRO 12 HA PRO 12 -7.943 -3.296 -3.467 58 HB2 PRO 12 1HB PRO 12 -9.143 -1.170 -4.655 59 HB3 PRO 12 2HB PRO 12 -9.835 -2.797 -4.671 60 HG2 PRO 12 1HG PRO 12 -10.502 -0.472 -2.908 61 HG3 PRO 12 2HG PRO 12 -11.593 -1.618 -3.709 62 HD2 PRO 12 1HD PRO 12 -10.936 -1.819 -1.089 63 HD3 PRO 12 2HD PRO 12 -11.275 -3.238 -2.101 64 H TYR 13 H TYR 13 -8.328 -0.897 -1.054 65 HA TYR 13 HA TYR 13 -6.269 0.829 -2.205 66 HB2 TYR 13 1HB TYR 13 -7.542 1.350 0.452 67 HB3 TYR 13 2HB TYR 13 -6.975 2.496 -0.758 68 HD1 TYR 13 HD2 TYR 13 -9.672 0.057 -0.018 69 HD2 TYR 13 HD1 TYR 13 -8.458 3.410 -2.338 70 HE1 TYR 13 HE2 TYR 13 -11.973 0.306 -0.851 71 HE2 TYR 13 HE1 TYR 13 -10.755 3.669 -3.177 72 HH TYR 13 HH TYR 13 -13.191 2.921 -2.132 73 H LYS 14 H LYS 14 -5.379 -1.706 -1.488 74 HA LYS 14 HA LYS 14 -3.997 -1.362 1.070 75 HB2 LYS 14 1HB LYS 14 -4.915 -3.508 0.975 76 HB3 LYS 14 2HB LYS 14 -4.517 -3.708 -0.726 77 HG2 LYS 14 1HG LYS 14 -2.377 -4.354 -0.296 78 HG3 LYS 14 2HG LYS 14 -2.275 -3.417 1.196 79 HD2 LYS 14 1HD LYS 14 -3.469 -5.032 2.418 80 HD3 LYS 14 2HD LYS 14 -4.056 -5.825 0.954 81 HE2 LYS 14 1HE LYS 14 -1.667 -6.414 0.443 82 HE3 LYS 14 2HE LYS 14 -1.249 -5.822 2.050 83 HZ1 LYS 14 3HZ LYS 14 -2.489 -7.511 3.063 84 HZ2 LYS 14 1HZ LYS 14 -1.659 -8.291 1.811 85 HZ3 LYS 14 2HZ LYS 14 -3.298 -7.915 1.634 86 H CYS 15 H CYS 15 -1.942 -0.744 1.174 87 HA CYS 15 HA CYS 15 -0.456 -0.303 -1.267 88 HB2 CYS 15 1HB CYS 15 -0.387 1.408 0.454 89 HB3 CYS 15 2HB CYS 15 0.224 0.248 1.628 90 H SER 16 H SER 16 1.177 -1.498 -2.040 91 HA SER 16 HA SER 16 1.807 -3.987 -0.664 92 HB2 SER 16 1HB SER 16 2.251 -2.967 -3.459 93 HB3 SER 16 2HB SER 16 3.111 -4.390 -2.870 94 HG SER 16 HG SER 16 1.366 -5.441 -3.350 95 H GLU 17 H GLU 17 3.229 -0.920 -1.399 96 HA GLU 17 HA GLU 17 5.943 -1.495 -1.266 97 HB2 GLU 17 1HB GLU 17 4.513 0.962 -0.235 98 HB3 GLU 17 2HB GLU 17 6.238 0.846 -0.551 99 HG2 GLU 17 1HG GLU 17 4.076 0.525 -2.619 100 HG3 GLU 17 2HG GLU 17 5.013 1.992 -2.342 101 H CYS 18 H CYS 18 3.842 -0.416 1.410 102 HA CYS 18 HA CYS 18 5.830 -1.451 3.306 103 HB2 CYS 18 1HB CYS 18 4.608 -0.111 4.995 104 HB3 CYS 18 2HB CYS 18 5.210 0.870 3.663 105 H GLY 19 H GLY 19 2.388 -1.602 2.495 106 HA2 GLY 19 1HA GLY 19 1.296 -3.775 2.604 107 HA3 GLY 19 2HA GLY 19 2.243 -4.110 4.046 108 H LYS 20 H LYS 20 0.274 -1.304 3.086 109 HA LYS 20 HA LYS 20 -1.210 -1.619 5.611 110 HB2 LYS 20 1HB LYS 20 -0.248 0.769 4.108 111 HB3 LYS 20 2HB LYS 20 -1.758 0.911 4.999 112 HG2 LYS 20 1HG LYS 20 -0.409 -0.052 6.980 113 HG3 LYS 20 2HG LYS 20 1.003 0.420 6.032 114 HD2 LYS 20 1HD LYS 20 0.404 2.697 6.081 115 HD3 LYS 20 2HD LYS 20 -1.238 2.336 6.619 116 HE2 LYS 20 1HE LYS 20 -0.307 1.497 8.753 117 HE3 LYS 20 2HE LYS 20 1.299 1.979 8.211 118 HZ1 LYS 20 3HZ LYS 20 0.851 3.927 9.153 119 HZ2 LYS 20 1HZ LYS 20 -0.795 3.575 9.325 120 HZ3 LYS 20 2HZ LYS 20 -0.215 4.218 7.872 121 H ALA 21 H ALA 21 -3.461 -0.616 5.500 122 HA ALA 21 HA ALA 21 -4.729 -0.890 2.885 123 HB1 ALA 21 3HB ALA 21 -4.920 -3.122 3.683 124 HB2 ALA 21 1HB ALA 21 -5.443 -2.574 5.276 125 HB3 ALA 21 2HB ALA 21 -6.500 -2.364 3.879 126 H PHE 22 H PHE 22 -6.328 0.545 2.592 127 HA PHE 22 HA PHE 22 -7.398 1.920 4.968 128 HB2 PHE 22 1HB PHE 22 -6.953 3.216 2.277 129 HB3 PHE 22 2HB PHE 22 -7.392 4.005 3.789 130 HD1 PHE 22 HD1 PHE 22 -4.676 2.220 2.033 131 HD2 PHE 22 HD2 PHE 22 -5.749 4.699 5.323 132 HE1 PHE 22 HE1 PHE 22 -2.294 2.605 2.516 133 HE2 PHE 22 HE2 PHE 22 -3.369 5.088 5.810 134 HZ PHE 22 HZ PHE 22 -1.638 4.041 4.405 135 H HIS 23 H HIS 23 -9.545 2.812 4.731 136 HA HIS 23 HA HIS 23 -11.278 1.022 3.284 137 HB2 HIS 23 1HB HIS 23 -11.932 1.702 5.511 138 HB3 HIS 23 2HB HIS 23 -11.861 3.402 5.056 139 HD1 HIS 23 HD1 HIS 23 -14.234 4.131 5.224 140 HD2 HIS 23 HD2 HIS 23 -13.836 0.555 3.147 141 HE1 HIS 23 HE1 HIS 23 -16.529 3.608 4.340 142 H ARG 24 H ARG 24 -10.650 4.525 3.247 143 HA ARG 24 HA ARG 24 -12.077 4.713 0.691 144 HB2 ARG 24 1HB ARG 24 -11.130 6.878 2.578 145 HB3 ARG 24 2HB ARG 24 -11.990 7.160 1.070 146 HG2 ARG 24 1HG ARG 24 -13.958 6.108 1.909 147 HG3 ARG 24 2HG ARG 24 -13.107 5.549 3.350 148 HD2 ARG 24 1HD ARG 24 -12.691 7.984 3.888 149 HD3 ARG 24 2HD ARG 24 -13.830 8.372 2.600 150 HE ARG 24 HE ARG 24 -14.458 7.434 5.224 151 HH11 ARG 24 1HH1 ARG 24 -15.516 7.441 1.907 152 HH12 ARG 24 2HH1 ARG 24 -17.186 7.205 2.303 153 HH21 ARG 24 1HH2 ARG 24 -16.654 7.124 5.757 154 HH22 ARG 24 2HH2 ARG 24 -17.833 7.026 4.493 155 H HIS 25 H HIS 25 -11.124 6.109 -0.992 156 HA HIS 25 HA HIS 25 -8.430 5.325 -1.525 157 HB2 HIS 25 1HB HIS 25 -10.232 5.622 -3.262 158 HB3 HIS 25 2HB HIS 25 -10.076 7.361 -3.034 159 HD1 HIS 25 HD1 HIS 25 -9.524 6.654 -5.777 160 HD2 HIS 25 HD2 HIS 25 -6.575 6.259 -2.878 161 HE1 HIS 25 HE1 HIS 25 -7.345 6.653 -7.032 162 H THR 26 H THR 26 -10.004 8.426 -0.811 163 HA THR 26 HA THR 26 -7.972 10.203 -1.088 164 HB THR 26 HB THR 26 -9.825 10.162 1.301 165 HG1 THR 26 HG1 THR 26 -10.226 10.746 -1.403 166 HG21 THR 26 3HG2 THR 26 -8.460 11.914 1.804 167 HG22 THR 26 1HG2 THR 26 -9.544 12.749 0.693 168 HG23 THR 26 2HG2 THR 26 -7.979 12.164 0.126 169 H HIS 27 H HIS 27 -8.510 8.112 1.734 170 HA HIS 27 HA HIS 27 -6.366 9.036 3.283 171 HB2 HIS 27 1HB HIS 27 -7.975 6.518 3.215 172 HB3 HIS 27 2HB HIS 27 -6.517 6.565 4.200 173 HD1 HIS 27 HD1 HIS 27 -8.069 6.325 6.309 174 HD2 HIS 27 HD2 HIS 27 -8.578 9.831 4.139 175 HE1 HIS 27 HE1 HIS 27 -9.372 7.863 7.812 176 H LEU 28 H LEU 28 -6.528 6.136 1.211 177 HA LEU 28 HA LEU 28 -3.911 5.296 1.467 178 HB2 LEU 28 1HB LEU 28 -5.539 3.941 0.351 179 HB3 LEU 28 2HB LEU 28 -5.759 5.156 -0.907 180 HG LEU 28 HG LEU 28 -3.320 4.714 -1.521 181 HD11 LEU 28 1HD1 LEU 28 -3.728 2.074 -0.179 182 HD12 LEU 28 2HD1 LEU 28 -3.016 3.424 0.704 183 HD13 LEU 28 3HD1 LEU 28 -2.238 2.819 -0.758 184 HD21 LEU 28 3HD2 LEU 28 -5.736 3.434 -2.236 185 HD22 LEU 28 1HD2 LEU 28 -4.476 2.200 -2.199 186 HD23 LEU 28 2HD2 LEU 28 -4.275 3.634 -3.206 187 H ASN 29 H ASN 29 -5.216 7.399 -1.103 188 HA ASN 29 HA ASN 29 -2.956 7.945 -2.520 189 HB2 ASN 29 1HB ASN 29 -5.398 8.862 -2.750 190 HB3 ASN 29 2HB ASN 29 -4.777 10.222 -1.818 191 HD21 ASN 29 1HD2 ASN 29 -4.665 11.801 -3.275 192 HD22 ASN 29 2HD2 ASN 29 -3.781 11.725 -4.757 193 H GLU 30 H GLU 30 -4.008 9.608 0.440 194 HA GLU 30 HA GLU 30 -1.884 11.431 0.588 195 HB2 GLU 30 1HB GLU 30 -3.701 10.247 2.676 196 HB3 GLU 30 2HB GLU 30 -2.448 11.408 3.093 197 HG2 GLU 30 1HG GLU 30 -4.452 12.026 0.963 198 HG3 GLU 30 2HG GLU 30 -4.845 12.244 2.668 199 H HIS 31 H HIS 31 -2.303 8.326 2.292 200 HA HIS 31 HA HIS 31 0.087 8.213 3.640 201 HB2 HIS 31 1HB HIS 31 -1.293 6.452 4.180 202 HB3 HIS 31 2HB HIS 31 -1.736 6.144 2.503 203 HD1 HIS 31 HD1 HIS 31 0.777 5.260 5.101 204 HD2 HIS 31 HD2 HIS 31 0.039 4.468 1.089 205 HE1 HIS 31 HE1 HIS 31 2.280 3.333 4.508 206 H ARG 32 H ARG 32 -0.540 6.985 0.354 207 HA ARG 32 HA ARG 32 1.822 5.919 -0.367 208 HB2 ARG 32 1HB ARG 32 0.131 7.824 -1.991 209 HB3 ARG 32 2HB ARG 32 1.440 6.863 -2.665 210 HG2 ARG 32 1HG ARG 32 0.279 4.816 -2.021 211 HG3 ARG 32 2HG ARG 32 -1.031 5.776 -1.331 212 HD2 ARG 32 1HD ARG 32 -1.866 5.254 -3.420 213 HD3 ARG 32 2HD ARG 32 -1.146 6.840 -3.698 214 HE ARG 32 HE ARG 32 0.419 5.862 -5.066 215 HH11 ARG 32 1HH1 ARG 32 -1.273 3.398 -3.280 216 HH12 ARG 32 2HH1 ARG 32 -0.599 2.090 -4.194 217 HH21 ARG 32 1HH2 ARG 32 1.312 4.148 -6.276 218 HH22 ARG 32 2HH2 ARG 32 0.872 2.517 -5.897 219 H ARG 33 H ARG 33 1.259 9.254 0.379 220 HA ARG 33 HA ARG 33 3.319 10.564 -0.879 221 HB2 ARG 33 1HB ARG 33 2.137 10.943 1.866 222 HB3 ARG 33 2HB ARG 33 3.370 12.021 1.226 223 HG2 ARG 33 1HG ARG 33 1.964 12.824 -0.457 224 HG3 ARG 33 2HG ARG 33 0.836 11.479 -0.276 225 HD2 ARG 33 1HD ARG 33 -0.157 12.380 1.579 226 HD3 ARG 33 2HD ARG 33 1.297 13.252 2.065 227 HE ARG 33 HE ARG 33 -0.802 14.208 0.365 228 HH11 ARG 33 1HH1 ARG 33 2.582 14.490 1.133 229 HH12 ARG 33 2HH1 ARG 33 2.717 16.110 0.533 230 HH21 ARG 33 1HH2 ARG 33 -0.637 16.340 -0.429 231 HH22 ARG 33 2HH2 ARG 33 0.885 17.161 -0.354 232 H ILE 34 H ILE 34 3.471 8.885 2.257 233 HA ILE 34 HA ILE 34 6.102 9.364 2.915 234 HB ILE 34 HB ILE 34 6.057 7.369 4.266 235 HG12 ILE 34 1HG1 ILE 34 3.414 6.513 3.173 236 HG13 ILE 34 2HG1 ILE 34 4.865 6.097 2.267 237 HG21 ILE 34 1HG2 ILE 34 4.760 8.556 5.622 238 HG22 ILE 34 2HG2 ILE 34 3.964 9.329 4.252 239 HG23 ILE 34 3HG2 ILE 34 3.353 7.798 4.878 240 HD11 ILE 34 3HD1 ILE 34 5.612 5.305 4.718 241 HD12 ILE 34 1HD1 ILE 34 3.869 5.062 4.832 242 HD13 ILE 34 2HD1 ILE 34 4.789 4.261 3.558 243 H HIS 35 H HIS 35 4.886 7.518 0.310 244 HA HIS 35 HA HIS 35 7.434 6.118 -0.060 245 HB2 HIS 35 1HB HIS 35 4.784 5.803 -1.483 246 HB3 HIS 35 2HB HIS 35 6.231 4.863 -1.834 247 HD1 HIS 35 HD1 HIS 35 7.193 3.768 0.663 248 HD2 HIS 35 HD2 HIS 35 3.124 4.343 0.050 249 HE1 HIS 35 HE1 HIS 35 6.044 2.234 2.291 250 H THR 36 H THR 36 5.376 8.567 -1.475 251 HA THR 36 HA THR 36 7.224 8.886 -3.729 252 HB THR 36 HB THR 36 5.527 10.406 -4.675 253 HG1 THR 36 HG1 THR 36 3.681 9.613 -2.714 254 HG21 THR 36 3HG2 THR 36 4.295 7.793 -3.802 255 HG22 THR 36 1HG2 THR 36 5.467 7.950 -5.110 256 HG23 THR 36 2HG2 THR 36 3.892 8.734 -5.238 257 H GLY 37 H GLY 37 8.963 9.976 -2.894 258 HA2 GLY 37 1HA GLY 37 8.924 12.736 -2.742 259 HA3 GLY 37 2HA GLY 37 8.727 12.169 -1.090 260 H TYR 38 H TYR 38 10.574 12.212 -0.014 261 HA TYR 38 HA TYR 38 12.951 11.018 -1.179 262 HB2 TYR 38 1HB TYR 38 12.926 13.508 -1.752 263 HB3 TYR 38 2HB TYR 38 13.144 13.800 -0.030 264 HD1 TYR 38 HD2 TYR 38 15.102 12.085 0.941 265 HD2 TYR 38 HD1 TYR 38 14.860 13.741 -2.971 266 HE1 TYR 38 HE2 TYR 38 17.533 11.816 0.682 267 HE2 TYR 38 HE1 TYR 38 17.290 13.474 -3.241 268 HH TYR 38 HH TYR 38 19.368 12.887 -0.700 269 H ARG 39 H ARG 39 13.910 9.795 0.299 270 HA ARG 39 HA ARG 39 13.899 10.607 3.102 271 HB2 ARG 39 1HB ARG 39 12.802 7.980 2.093 272 HB3 ARG 39 2HB ARG 39 13.239 8.269 3.772 273 HG2 ARG 39 1HG ARG 39 11.234 9.945 2.289 274 HG3 ARG 39 2HG ARG 39 10.802 8.507 3.216 275 HD2 ARG 39 1HD ARG 39 11.357 9.484 5.238 276 HD3 ARG 39 2HD ARG 39 12.429 10.666 4.487 277 HE ARG 39 HE ARG 39 10.615 12.034 4.092 278 HH11 ARG 39 1HH1 ARG 39 9.544 8.911 5.197 279 HH12 ARG 39 2HH1 ARG 39 7.907 9.418 5.453 280 HH21 ARG 39 1HH2 ARG 39 8.463 12.713 4.424 281 HH22 ARG 39 2HH2 ARG 39 7.293 11.581 5.012 282 HA PRO 40 HA PRO 40 18.006 9.054 3.056 283 HB2 PRO 40 1HB PRO 40 18.311 8.349 5.660 284 HB3 PRO 40 2HB PRO 40 18.262 10.031 5.120 285 HG2 PRO 40 1HG PRO 40 16.086 8.365 6.325 286 HG3 PRO 40 2HG PRO 40 16.523 10.051 6.663 287 HD2 PRO 40 1HD PRO 40 14.446 9.376 5.062 288 HD3 PRO 40 2HD PRO 40 15.413 10.842 4.804 289 H SER 41 H SER 41 15.341 7.056 3.796 290 HA SER 41 HA SER 41 16.277 4.664 4.629 291 HB2 SER 41 1HB SER 41 13.921 5.107 3.986 292 HB3 SER 41 2HB SER 41 14.387 5.010 2.288 293 HG SER 41 HG SER 41 15.299 2.830 3.171 294 H GLY 42 H GLY 42 16.005 5.337 1.133 295 HA2 GLY 42 1HA GLY 42 18.636 4.700 0.449 296 HA3 GLY 42 2HA GLY 42 17.706 3.210 0.383 297 HA PRO 43 HA PRO 43 17.213 5.989 -3.492 298 HB2 PRO 43 1HB PRO 43 19.077 4.862 -5.113 299 HB3 PRO 43 2HB PRO 43 19.422 6.248 -4.071 300 HG2 PRO 43 1HG PRO 43 20.014 3.348 -3.624 301 HG3 PRO 43 2HG PRO 43 21.042 4.760 -3.316 302 HD2 PRO 43 1HD PRO 43 19.668 3.502 -1.351 303 HD3 PRO 43 2HD PRO 43 19.991 5.247 -1.323 304 H SER 44 H SER 44 15.236 4.764 -3.476 305 HA SER 44 HA SER 44 15.150 2.796 -5.581 306 HB2 SER 44 1HB SER 44 15.595 1.211 -3.896 307 HB3 SER 44 2HB SER 44 14.594 2.056 -2.715 308 HG SER 44 HG SER 44 13.718 0.077 -3.789 309 H SER 45 H SER 45 13.454 3.323 -6.771 310 HA SER 45 HA SER 45 11.145 4.591 -5.452 311 HB2 SER 45 1HB SER 45 12.586 5.812 -7.283 312 HB3 SER 45 2HB SER 45 11.636 4.830 -8.398 313 HG SER 45 HG SER 45 10.521 6.714 -8.102 314 H GLY 46 H GLY 46 9.156 3.724 -5.682 315 HA2 GLY 46 1HA GLY 46 8.960 1.297 -7.355 316 HA3 GLY 46 2HA GLY 46 8.079 1.537 -5.853 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.500 -23.722 10.161 2 HA2 GLY 1 1HA GLY 1 -1.542 -22.985 12.071 3 HA3 GLY 1 2HA GLY 1 -0.603 -21.628 11.469 4 H SER 2 H SER 2 -3.140 -23.830 10.830 5 HA SER 2 HA SER 2 -3.526 -22.599 8.181 6 HB2 SER 2 1HB SER 2 -4.541 -24.713 7.416 7 HB3 SER 2 2HB SER 2 -2.866 -24.946 7.915 8 HG SER 2 HG SER 2 -4.308 -26.558 8.737 9 H SER 3 H SER 3 -5.322 -21.443 8.048 10 HA SER 3 HA SER 3 -7.832 -22.317 9.042 11 HB2 SER 3 1HB SER 3 -6.797 -21.584 11.180 12 HB3 SER 3 2HB SER 3 -6.594 -19.969 10.500 13 HG SER 3 HG SER 3 -8.490 -19.938 11.625 14 H GLY 4 H GLY 4 -9.377 -21.435 7.817 15 HA2 GLY 4 1HA GLY 4 -8.625 -19.224 6.054 16 HA3 GLY 4 2HA GLY 4 -10.011 -20.287 5.853 17 H SER 5 H SER 5 -10.238 -17.545 5.568 18 HA SER 5 HA SER 5 -11.537 -15.789 6.203 19 HB2 SER 5 1HB SER 5 -12.795 -17.700 8.181 20 HB3 SER 5 2HB SER 5 -13.512 -16.238 7.504 21 HG SER 5 HG SER 5 -12.972 -17.536 5.409 22 H SER 6 H SER 6 -9.086 -15.692 7.272 23 HA SER 6 HA SER 6 -9.375 -15.168 10.137 24 HB2 SER 6 1HB SER 6 -6.777 -14.700 9.734 25 HB3 SER 6 2HB SER 6 -7.408 -16.334 9.943 26 HG SER 6 HG SER 6 -7.069 -15.077 7.423 27 H GLY 7 H GLY 7 -10.188 -13.488 7.615 28 HA2 GLY 7 1HA GLY 7 -8.939 -10.975 8.542 29 HA3 GLY 7 2HA GLY 7 -9.454 -11.258 6.886 30 H SER 8 H SER 8 -10.194 -9.217 8.987 31 HA SER 8 HA SER 8 -12.991 -9.751 9.497 32 HB2 SER 8 1HB SER 8 -12.821 -7.255 10.306 33 HB3 SER 8 2HB SER 8 -12.081 -8.543 11.257 34 HG SER 8 HG SER 8 -10.623 -7.177 9.266 35 H GLY 9 H GLY 9 -11.462 -9.008 6.774 36 HA2 GLY 9 1HA GLY 9 -13.178 -8.526 4.960 37 HA3 GLY 9 2HA GLY 9 -13.488 -7.059 5.876 38 H GLU 10 H GLU 10 -11.621 -8.502 3.448 39 HA GLU 10 HA GLU 10 -9.309 -6.868 3.568 40 HB2 GLU 10 1HB GLU 10 -8.934 -7.605 1.236 41 HB3 GLU 10 2HB GLU 10 -9.283 -8.943 2.321 42 HG2 GLU 10 1HG GLU 10 -10.483 -9.364 0.344 43 HG3 GLU 10 2HG GLU 10 -11.666 -8.821 1.532 44 H LYS 11 H LYS 11 -8.721 -5.315 1.794 45 HA LYS 11 HA LYS 11 -11.030 -3.692 0.963 46 HB2 LYS 11 1HB LYS 11 -8.424 -2.567 2.001 47 HB3 LYS 11 2HB LYS 11 -9.852 -1.656 1.529 48 HG2 LYS 11 1HG LYS 11 -10.098 -3.686 3.691 49 HG3 LYS 11 2HG LYS 11 -9.326 -2.139 4.048 50 HD2 LYS 11 1HD LYS 11 -11.467 -1.199 2.805 51 HD3 LYS 11 2HD LYS 11 -12.150 -2.740 3.329 52 HE2 LYS 11 1HE LYS 11 -10.693 -0.947 5.242 53 HE3 LYS 11 2HE LYS 11 -12.399 -0.698 4.876 54 HZ1 LYS 11 3HZ LYS 11 -12.011 -2.083 6.861 55 HZ2 LYS 11 1HZ LYS 11 -11.259 -3.245 5.889 56 HZ3 LYS 11 2HZ LYS 11 -12.897 -2.888 5.665 57 HA PRO 12 HA PRO 12 -9.179 -3.816 -3.029 58 HB2 PRO 12 1HB PRO 12 -10.346 -1.619 -4.117 59 HB3 PRO 12 2HB PRO 12 -11.219 -3.129 -3.832 60 HG2 PRO 12 1HG PRO 12 -11.174 -0.629 -2.186 61 HG3 PRO 12 2HG PRO 12 -12.551 -1.657 -2.622 62 HD2 PRO 12 1HD PRO 12 -11.344 -1.787 -0.201 63 HD3 PRO 12 2HD PRO 12 -12.077 -3.204 -0.980 64 H TYR 13 H TYR 13 -8.751 -1.187 -0.852 65 HA TYR 13 HA TYR 13 -6.646 -0.031 -2.547 66 HB2 TYR 13 1HB TYR 13 -7.882 1.174 -0.066 67 HB3 TYR 13 2HB TYR 13 -6.825 1.975 -1.223 68 HD1 TYR 13 HD1 TYR 13 -7.767 1.824 -3.749 69 HD2 TYR 13 HD2 TYR 13 -10.125 1.663 -0.212 70 HE1 TYR 13 HE1 TYR 13 -9.729 2.572 -5.030 71 HE2 TYR 13 HE2 TYR 13 -12.094 2.410 -1.483 72 HH TYR 13 HH TYR 13 -12.184 3.913 -4.019 73 H LYS 14 H LYS 14 -4.904 -1.321 -2.138 74 HA LYS 14 HA LYS 14 -3.961 -1.388 0.653 75 HB2 LYS 14 1HB LYS 14 -4.710 -3.615 -0.344 76 HB3 LYS 14 2HB LYS 14 -3.317 -3.490 -1.410 77 HG2 LYS 14 1HG LYS 14 -2.883 -3.209 1.516 78 HG3 LYS 14 2HG LYS 14 -3.203 -4.815 0.858 79 HD2 LYS 14 1HD LYS 14 -1.366 -4.213 -0.863 80 HD3 LYS 14 2HD LYS 14 -0.915 -2.961 0.297 81 HE2 LYS 14 1HE LYS 14 0.429 -4.868 0.761 82 HE3 LYS 14 2HE LYS 14 -0.781 -4.760 2.040 83 HZ1 LYS 14 3HZ LYS 14 -0.374 -6.817 0.070 84 HZ2 LYS 14 1HZ LYS 14 -1.988 -6.327 0.201 85 HZ3 LYS 14 2HZ LYS 14 -1.162 -6.892 1.565 86 H CYS 15 H CYS 15 -2.111 -0.354 0.977 87 HA CYS 15 HA CYS 15 -0.672 0.911 -1.078 88 HB2 CYS 15 1HB CYS 15 -0.686 1.708 1.252 89 HB3 CYS 15 2HB CYS 15 0.221 0.281 1.744 90 H SER 16 H SER 16 0.456 -0.104 -2.596 91 HA SER 16 HA SER 16 1.704 -2.666 -2.071 92 HB2 SER 16 1HB SER 16 0.493 -2.097 -4.223 93 HB3 SER 16 2HB SER 16 1.851 -1.043 -4.617 94 HG SER 16 HG SER 16 1.751 -3.840 -4.440 95 H GLU 17 H GLU 17 2.805 -0.612 -0.529 96 HA GLU 17 HA GLU 17 5.534 -0.543 -1.617 97 HB2 GLU 17 1HB GLU 17 4.033 1.741 -0.338 98 HB3 GLU 17 2HB GLU 17 5.781 1.726 -0.522 99 HG2 GLU 17 1HG GLU 17 4.115 1.240 -2.929 100 HG3 GLU 17 2HG GLU 17 4.208 2.880 -2.288 101 H CYS 18 H CYS 18 3.450 -0.345 1.227 102 HA CYS 18 HA CYS 18 5.675 -1.417 2.835 103 HB2 CYS 18 1HB CYS 18 4.841 -0.195 4.760 104 HB3 CYS 18 2HB CYS 18 5.140 0.927 3.437 105 H GLY 19 H GLY 19 2.202 -1.372 2.245 106 HA2 GLY 19 1HA GLY 19 1.016 -3.488 2.253 107 HA3 GLY 19 2HA GLY 19 2.038 -3.992 3.592 108 H LYS 20 H LYS 20 -0.085 -1.214 2.876 109 HA LYS 20 HA LYS 20 -1.432 -1.716 5.446 110 HB2 LYS 20 1HB LYS 20 0.228 0.330 5.228 111 HB3 LYS 20 2HB LYS 20 -1.148 1.079 4.429 112 HG2 LYS 20 1HG LYS 20 -2.510 0.794 6.383 113 HG3 LYS 20 2HG LYS 20 -1.239 -0.133 7.183 114 HD2 LYS 20 1HD LYS 20 0.191 2.010 6.774 115 HD3 LYS 20 2HD LYS 20 -1.379 2.799 6.612 116 HE2 LYS 20 1HE LYS 20 -0.656 1.078 8.971 117 HE3 LYS 20 2HE LYS 20 -0.332 2.810 8.923 118 HZ1 LYS 20 3HZ LYS 20 -2.736 1.497 9.549 119 HZ2 LYS 20 1HZ LYS 20 -2.983 2.432 8.160 120 HZ3 LYS 20 2HZ LYS 20 -2.404 3.156 9.574 121 H ALA 21 H ALA 21 -3.580 -1.857 5.322 122 HA ALA 21 HA ALA 21 -4.864 -1.157 2.779 123 HB1 ALA 21 3HB ALA 21 -5.039 -3.493 3.689 124 HB2 ALA 21 1HB ALA 21 -6.025 -2.832 4.994 125 HB3 ALA 21 2HB ALA 21 -6.576 -2.710 3.323 126 H PHE 22 H PHE 22 -6.482 0.309 2.638 127 HA PHE 22 HA PHE 22 -7.328 1.624 5.136 128 HB2 PHE 22 1HB PHE 22 -6.764 2.862 2.437 129 HB3 PHE 22 2HB PHE 22 -7.555 3.715 3.759 130 HD1 PHE 22 HD2 PHE 22 -6.306 4.207 5.832 131 HD2 PHE 22 HD1 PHE 22 -4.418 2.525 2.408 132 HE1 PHE 22 HE2 PHE 22 -4.109 4.848 6.734 133 HE2 PHE 22 HE1 PHE 22 -2.217 3.163 3.305 134 HZ PHE 22 HZ PHE 22 -2.061 4.327 5.469 135 H HIS 23 H HIS 23 -9.379 3.044 4.616 136 HA HIS 23 HA HIS 23 -11.307 1.224 3.351 137 HB2 HIS 23 1HB HIS 23 -13.007 2.530 4.669 138 HB3 HIS 23 2HB HIS 23 -11.845 1.639 5.648 139 HD1 HIS 23 HD1 HIS 23 -10.039 3.056 6.913 140 HD2 HIS 23 HD2 HIS 23 -12.963 5.282 4.975 141 HE1 HIS 23 HE1 HIS 23 -9.843 5.382 7.848 142 H ARG 24 H ARG 24 -10.165 4.545 3.381 143 HA ARG 24 HA ARG 24 -11.906 5.122 1.075 144 HB2 ARG 24 1HB ARG 24 -10.906 6.807 3.326 145 HB3 ARG 24 2HB ARG 24 -11.166 7.572 1.764 146 HG2 ARG 24 1HG ARG 24 -13.341 5.882 2.876 147 HG3 ARG 24 2HG ARG 24 -13.059 7.471 3.590 148 HD2 ARG 24 1HD ARG 24 -13.357 8.538 1.452 149 HD3 ARG 24 2HD ARG 24 -13.469 6.975 0.645 150 HE ARG 24 HE ARG 24 -15.565 8.359 1.989 151 HH11 ARG 24 1HH1 ARG 24 -14.340 5.187 1.242 152 HH12 ARG 24 2HH1 ARG 24 -15.891 4.422 1.343 153 HH21 ARG 24 1HH2 ARG 24 -17.612 7.363 2.125 154 HH22 ARG 24 2HH2 ARG 24 -17.752 5.660 1.845 155 H HIS 25 H HIS 25 -10.937 5.256 -0.830 156 HA HIS 25 HA HIS 25 -8.336 4.798 -1.422 157 HB2 HIS 25 1HB HIS 25 -10.333 5.135 -3.011 158 HB3 HIS 25 2HB HIS 25 -9.890 6.840 -3.000 159 HD1 HIS 25 HD1 HIS 25 -9.760 5.001 -5.544 160 HD2 HIS 25 HD2 HIS 25 -6.544 5.972 -3.099 161 HE1 HIS 25 HE1 HIS 25 -7.714 4.708 -6.976 162 H THR 26 H THR 26 -9.709 8.090 -1.263 163 HA THR 26 HA THR 26 -7.571 9.660 -1.629 164 HB THR 26 HB THR 26 -9.448 10.078 0.703 165 HG1 THR 26 HG1 THR 26 -9.818 11.086 -1.920 166 HG21 THR 26 3HG2 THR 26 -8.654 12.175 0.855 167 HG22 THR 26 1HG2 THR 26 -8.567 12.368 -0.895 168 HG23 THR 26 2HG2 THR 26 -7.262 11.554 -0.032 169 H HIS 27 H HIS 27 -8.359 8.215 1.535 170 HA HIS 27 HA HIS 27 -6.216 9.139 2.996 171 HB2 HIS 27 1HB HIS 27 -7.728 6.536 3.144 172 HB3 HIS 27 2HB HIS 27 -6.467 6.949 4.302 173 HD1 HIS 27 HD1 HIS 27 -7.680 7.518 6.387 174 HD2 HIS 27 HD2 HIS 27 -9.432 9.257 3.045 175 HE1 HIS 27 HE1 HIS 27 -9.520 8.981 7.278 176 H LEU 28 H LEU 28 -6.366 6.265 0.925 177 HA LEU 28 HA LEU 28 -3.779 5.309 1.480 178 HB2 LEU 28 1HB LEU 28 -5.326 3.847 0.446 179 HB3 LEU 28 2HB LEU 28 -5.611 4.972 -0.880 180 HG LEU 28 HG LEU 28 -3.082 4.543 -1.398 181 HD11 LEU 28 1HD1 LEU 28 -2.417 2.237 -0.851 182 HD12 LEU 28 2HD1 LEU 28 -3.839 2.089 0.180 183 HD13 LEU 28 3HD1 LEU 28 -2.577 3.252 0.582 184 HD21 LEU 28 3HD2 LEU 28 -3.753 3.141 -3.078 185 HD22 LEU 28 1HD2 LEU 28 -5.309 3.816 -2.594 186 HD23 LEU 28 2HD2 LEU 28 -4.828 2.216 -2.030 187 H ASN 29 H ASN 29 -4.920 7.064 -1.414 188 HA ASN 29 HA ASN 29 -2.543 7.477 -2.688 189 HB2 ASN 29 1HB ASN 29 -4.698 8.178 -3.618 190 HB3 ASN 29 2HB ASN 29 -4.809 9.467 -2.422 191 HD21 ASN 29 1HD2 ASN 29 -5.085 10.577 -4.606 192 HD22 ASN 29 2HD2 ASN 29 -3.647 11.228 -5.308 193 H GLU 30 H GLU 30 -3.828 9.276 0.060 194 HA GLU 30 HA GLU 30 -1.687 11.189 0.073 195 HB2 GLU 30 1HB GLU 30 -3.688 12.007 0.980 196 HB3 GLU 30 2HB GLU 30 -3.956 10.555 1.935 197 HG2 GLU 30 1HG GLU 30 -2.495 11.198 3.583 198 HG3 GLU 30 2HG GLU 30 -1.575 12.249 2.507 199 H HIS 31 H HIS 31 -2.363 8.129 1.618 200 HA HIS 31 HA HIS 31 -0.442 8.255 3.672 201 HB2 HIS 31 1HB HIS 31 -2.024 6.545 3.905 202 HB3 HIS 31 2HB HIS 31 -1.815 5.996 2.245 203 HD1 HIS 31 HD1 HIS 31 -0.036 5.932 5.581 204 HD2 HIS 31 HD2 HIS 31 0.015 3.985 1.910 205 HE1 HIS 31 HE1 HIS 31 1.525 3.983 5.875 206 H ARG 32 H ARG 32 -0.247 7.194 0.311 207 HA ARG 32 HA ARG 32 2.340 6.097 0.415 208 HB2 ARG 32 1HB ARG 32 0.857 7.369 -1.892 209 HB3 ARG 32 2HB ARG 32 2.347 6.449 -2.051 210 HG2 ARG 32 1HG ARG 32 1.300 4.440 -1.435 211 HG3 ARG 32 2HG ARG 32 -0.122 5.279 -0.812 212 HD2 ARG 32 1HD ARG 32 -0.861 4.471 -2.855 213 HD3 ARG 32 2HD ARG 32 -0.391 6.127 -3.239 214 HE ARG 32 HE ARG 32 1.272 5.307 -4.582 215 HH11 ARG 32 1HH1 ARG 32 0.100 2.756 -2.525 216 HH12 ARG 32 2HH1 ARG 32 0.997 1.514 -3.334 217 HH21 ARG 32 1HH2 ARG 32 2.458 3.681 -5.656 218 HH22 ARG 32 2HH2 ARG 32 2.338 2.041 -5.114 219 H ARG 33 H ARG 33 1.288 9.309 0.658 220 HA ARG 33 HA ARG 33 3.135 10.868 -0.593 221 HB2 ARG 33 1HB ARG 33 1.871 11.135 2.124 222 HB3 ARG 33 2HB ARG 33 2.973 12.359 1.507 223 HG2 ARG 33 1HG ARG 33 0.433 11.472 0.155 224 HG3 ARG 33 2HG ARG 33 0.619 12.932 1.129 225 HD2 ARG 33 1HD ARG 33 2.012 12.276 -1.463 226 HD3 ARG 33 2HD ARG 33 0.788 13.516 -1.197 227 HE ARG 33 HE ARG 33 3.597 13.662 -0.521 228 HH11 ARG 33 1HH1 ARG 33 0.413 14.991 -0.058 229 HH12 ARG 33 2HH1 ARG 33 0.993 16.533 0.477 230 HH21 ARG 33 1HH2 ARG 33 4.373 15.688 0.182 231 HH22 ARG 33 2HH2 ARG 33 3.245 16.929 0.612 232 H ILE 34 H ILE 34 3.629 8.858 2.230 233 HA ILE 34 HA ILE 34 6.219 9.917 2.855 234 HB ILE 34 HB ILE 34 6.343 8.341 4.566 235 HG12 ILE 34 1HG1 ILE 34 4.416 6.666 2.949 236 HG13 ILE 34 2HG1 ILE 34 6.104 6.310 3.296 237 HG21 ILE 34 1HG2 ILE 34 3.868 9.663 4.121 238 HG22 ILE 34 2HG2 ILE 34 3.537 8.107 4.882 239 HG23 ILE 34 3HG2 ILE 34 4.637 9.250 5.653 240 HD11 ILE 34 3HD1 ILE 34 3.754 5.671 4.807 241 HD12 ILE 34 1HD1 ILE 34 5.414 5.114 5.021 242 HD13 ILE 34 2HD1 ILE 34 4.880 6.612 5.785 243 H HIS 35 H HIS 35 4.973 7.327 0.871 244 HA HIS 35 HA HIS 35 7.608 6.187 0.436 245 HB2 HIS 35 1HB HIS 35 4.997 5.480 -0.915 246 HB3 HIS 35 2HB HIS 35 6.477 4.525 -0.912 247 HD1 HIS 35 HD1 HIS 35 7.066 4.753 2.160 248 HD2 HIS 35 HD2 HIS 35 3.406 3.733 0.479 249 HE1 HIS 35 HE1 HIS 35 5.845 3.462 3.939 250 H THR 36 H THR 36 5.932 8.785 -0.745 251 HA THR 36 HA THR 36 7.409 8.695 -3.294 252 HB THR 36 HB THR 36 4.998 8.467 -3.711 253 HG1 THR 36 HG1 THR 36 6.338 9.690 -5.176 254 HG21 THR 36 3HG2 THR 36 3.808 10.843 -3.264 255 HG22 THR 36 1HG2 THR 36 4.890 10.779 -1.874 256 HG23 THR 36 2HG2 THR 36 3.720 9.486 -2.141 257 H GLY 37 H GLY 37 8.020 10.798 -4.161 258 HA2 GLY 37 1HA GLY 37 8.873 12.927 -3.991 259 HA3 GLY 37 2HA GLY 37 7.800 13.175 -2.622 260 H TYR 38 H TYR 38 10.673 11.176 -3.321 261 HA TYR 38 HA TYR 38 11.613 11.352 -0.634 262 HB2 TYR 38 1HB TYR 38 13.674 10.274 -1.572 263 HB3 TYR 38 2HB TYR 38 12.183 9.404 -1.916 264 HD1 TYR 38 HD1 TYR 38 14.497 11.909 -3.430 265 HD2 TYR 38 HD2 TYR 38 11.724 8.752 -4.096 266 HE1 TYR 38 HE1 TYR 38 15.036 11.950 -5.829 267 HE2 TYR 38 HE2 TYR 38 12.256 8.784 -6.497 268 HH TYR 38 HH TYR 38 13.893 9.503 -8.011 269 H ARG 39 H ARG 39 13.787 12.193 -0.071 270 HA ARG 39 HA ARG 39 14.056 14.905 -1.064 271 HB2 ARG 39 1HB ARG 39 15.500 13.442 1.153 272 HB3 ARG 39 2HB ARG 39 15.706 15.147 0.773 273 HG2 ARG 39 1HG ARG 39 13.022 14.001 1.457 274 HG3 ARG 39 2HG ARG 39 14.155 14.535 2.700 275 HD2 ARG 39 1HD ARG 39 14.075 16.760 1.978 276 HD3 ARG 39 2HD ARG 39 13.386 16.320 0.416 277 HE ARG 39 HE ARG 39 11.699 15.679 2.656 278 HH11 ARG 39 1HH1 ARG 39 12.621 18.133 0.365 279 HH12 ARG 39 2HH1 ARG 39 11.127 19.001 0.497 280 HH21 ARG 39 1HH2 ARG 39 9.729 16.813 2.838 281 HH22 ARG 39 2HH2 ARG 39 9.483 18.250 1.905 282 HA PRO 40 HA PRO 40 17.401 14.102 -3.808 283 HB2 PRO 40 1HB PRO 40 18.534 16.569 -3.845 284 HB3 PRO 40 2HB PRO 40 17.009 16.201 -4.659 285 HG2 PRO 40 1HG PRO 40 17.472 17.506 -2.005 286 HG3 PRO 40 2HG PRO 40 16.322 17.944 -3.282 287 HD2 PRO 40 1HD PRO 40 15.589 16.559 -1.074 288 HD3 PRO 40 2HD PRO 40 14.811 16.322 -2.652 289 H SER 41 H SER 41 17.805 14.883 -0.534 290 HA SER 41 HA SER 41 20.661 14.179 -0.686 291 HB2 SER 41 1HB SER 41 19.439 16.067 1.338 292 HB3 SER 41 2HB SER 41 21.150 15.684 1.140 293 HG SER 41 HG SER 41 20.619 17.662 0.142 294 H GLY 42 H GLY 42 21.035 12.286 0.244 295 HA2 GLY 42 1HA GLY 42 20.499 11.574 2.840 296 HA3 GLY 42 2HA GLY 42 19.100 11.019 1.932 297 HA PRO 43 HA PRO 43 22.253 7.632 1.897 298 HB2 PRO 43 1HB PRO 43 20.471 5.656 2.437 299 HB3 PRO 43 2HB PRO 43 21.262 6.608 3.699 300 HG2 PRO 43 1HG PRO 43 18.522 6.914 2.533 301 HG3 PRO 43 2HG PRO 43 19.033 7.005 4.229 302 HD2 PRO 43 1HD PRO 43 18.562 9.209 2.727 303 HD3 PRO 43 2HD PRO 43 19.783 9.174 4.016 304 H SER 44 H SER 44 22.784 6.751 0.004 305 HA SER 44 HA SER 44 20.658 6.320 -1.987 306 HB2 SER 44 1HB SER 44 22.627 7.981 -2.398 307 HB3 SER 44 2HB SER 44 23.571 6.521 -2.694 308 HG SER 44 HG SER 44 21.732 7.742 -4.277 309 H SER 45 H SER 45 20.091 4.255 -2.116 310 HA SER 45 HA SER 45 22.180 2.232 -2.390 311 HB2 SER 45 1HB SER 45 20.935 0.707 -0.834 312 HB3 SER 45 2HB SER 45 21.669 2.098 -0.037 313 HG SER 45 HG SER 45 19.048 2.369 -0.945 314 H GLY 46 H GLY 46 21.776 1.329 -4.295 315 HA2 GLY 46 1HA GLY 46 19.274 1.436 -5.610 316 HA3 GLY 46 2HA GLY 46 20.649 0.455 -6.095 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -3.217 -24.671 13.834 2 HA2 GLY 1 1HA GLY 1 -5.169 -23.533 11.935 3 HA3 GLY 1 2HA GLY 1 -5.589 -24.274 13.472 4 H SER 2 H SER 2 -5.518 -21.422 11.981 5 HA SER 2 HA SER 2 -5.650 -19.934 14.413 6 HB2 SER 2 1HB SER 2 -3.178 -20.098 14.096 7 HB3 SER 2 2HB SER 2 -3.358 -19.267 12.551 8 HG SER 2 HG SER 2 -2.876 -17.731 14.076 9 H SER 3 H SER 3 -7.076 -18.350 14.127 10 HA SER 3 HA SER 3 -7.853 -17.655 11.396 11 HB2 SER 3 1HB SER 3 -9.221 -16.930 13.998 12 HB3 SER 3 2HB SER 3 -9.885 -16.759 12.373 13 HG SER 3 HG SER 3 -10.364 -18.812 12.355 14 H GLY 4 H GLY 4 -7.425 -15.742 10.488 15 HA2 GLY 4 1HA GLY 4 -7.121 -13.327 11.983 16 HA3 GLY 4 2HA GLY 4 -5.566 -13.957 11.461 17 H SER 5 H SER 5 -8.738 -12.913 10.299 18 HA SER 5 HA SER 5 -7.466 -12.214 7.733 19 HB2 SER 5 1HB SER 5 -9.695 -12.515 6.687 20 HB3 SER 5 2HB SER 5 -9.093 -14.003 7.417 21 HG SER 5 HG SER 5 -10.536 -13.812 9.036 22 H SER 6 H SER 6 -7.195 -10.097 7.571 23 HA SER 6 HA SER 6 -9.233 -8.322 8.749 24 HB2 SER 6 1HB SER 6 -6.258 -8.151 8.638 25 HB3 SER 6 2HB SER 6 -7.172 -6.647 8.541 26 HG SER 6 HG SER 6 -6.753 -8.307 10.674 27 H GLY 7 H GLY 7 -10.522 -7.562 7.205 28 HA2 GLY 7 1HA GLY 7 -11.152 -6.368 5.334 29 HA3 GLY 7 2HA GLY 7 -9.452 -6.042 5.029 30 H SER 8 H SER 8 -12.167 -7.653 3.942 31 HA SER 8 HA SER 8 -10.520 -9.322 2.159 32 HB2 SER 8 1HB SER 8 -12.255 -11.038 2.181 33 HB3 SER 8 2HB SER 8 -11.706 -10.721 3.826 34 HG SER 8 HG SER 8 -13.929 -9.349 2.779 35 H GLY 9 H GLY 9 -12.702 -6.814 2.428 36 HA2 GLY 9 1HA GLY 9 -12.993 -6.593 -0.410 37 HA3 GLY 9 2HA GLY 9 -14.499 -7.064 0.363 38 H GLU 10 H GLU 10 -13.919 -5.541 2.801 39 HA GLU 10 HA GLU 10 -15.236 -3.176 2.220 40 HB2 GLU 10 1HB GLU 10 -13.611 -4.154 4.512 41 HB3 GLU 10 2HB GLU 10 -13.964 -2.433 4.446 42 HG2 GLU 10 1HG GLU 10 -16.373 -2.984 4.274 43 HG3 GLU 10 2HG GLU 10 -15.960 -4.683 4.493 44 H LYS 11 H LYS 11 -11.751 -3.579 2.863 45 HA LYS 11 HA LYS 11 -11.289 -1.033 1.456 46 HB2 LYS 11 1HB LYS 11 -8.990 -1.277 2.697 47 HB3 LYS 11 2HB LYS 11 -10.399 -0.662 3.551 48 HG2 LYS 11 1HG LYS 11 -10.782 -2.813 4.565 49 HG3 LYS 11 2HG LYS 11 -9.469 -3.525 3.624 50 HD2 LYS 11 1HD LYS 11 -8.088 -1.575 4.771 51 HD3 LYS 11 2HD LYS 11 -9.363 -1.716 5.983 52 HE2 LYS 11 1HE LYS 11 -7.478 -3.125 6.574 53 HE3 LYS 11 2HE LYS 11 -8.884 -4.115 6.188 54 HZ1 LYS 11 3HZ LYS 11 -6.333 -4.179 5.020 55 HZ2 LYS 11 1HZ LYS 11 -7.447 -3.725 3.830 56 HZ3 LYS 11 2HZ LYS 11 -7.666 -5.166 4.689 57 HA PRO 12 HA PRO 12 -9.602 -4.280 -1.351 58 HB2 PRO 12 1HB PRO 12 -10.341 -2.998 -3.627 59 HB3 PRO 12 2HB PRO 12 -11.427 -4.067 -2.730 60 HG2 PRO 12 1HG PRO 12 -11.264 -1.078 -2.703 61 HG3 PRO 12 2HG PRO 12 -12.698 -2.120 -2.747 62 HD2 PRO 12 1HD PRO 12 -11.818 -0.946 -0.471 63 HD3 PRO 12 2HD PRO 12 -12.625 -2.528 -0.479 64 H TYR 13 H TYR 13 -8.932 -1.072 -0.606 65 HA TYR 13 HA TYR 13 -6.761 -0.838 -2.552 66 HB2 TYR 13 1HB TYR 13 -8.077 1.100 -0.665 67 HB3 TYR 13 2HB TYR 13 -6.527 1.471 -1.414 68 HD1 TYR 13 HD2 TYR 13 -9.377 -0.339 -2.957 69 HD2 TYR 13 HD1 TYR 13 -7.107 3.258 -2.830 70 HE1 TYR 13 HE2 TYR 13 -10.545 0.463 -4.967 71 HE2 TYR 13 HE1 TYR 13 -8.270 4.070 -4.839 72 HH TYR 13 HH TYR 13 -10.869 2.184 -6.345 73 H LYS 14 H LYS 14 -4.904 -1.753 -1.995 74 HA LYS 14 HA LYS 14 -3.929 -1.378 0.755 75 HB2 LYS 14 1HB LYS 14 -4.619 -3.663 0.667 76 HB3 LYS 14 2HB LYS 14 -3.862 -3.898 -0.903 77 HG2 LYS 14 1HG LYS 14 -1.776 -4.124 -0.022 78 HG3 LYS 14 2HG LYS 14 -2.127 -3.088 1.363 79 HD2 LYS 14 1HD LYS 14 -3.212 -4.800 2.520 80 HD3 LYS 14 2HD LYS 14 -3.453 -5.760 1.059 81 HE2 LYS 14 1HE LYS 14 -1.027 -6.146 0.938 82 HE3 LYS 14 2HE LYS 14 -0.817 -5.222 2.424 83 HZ1 LYS 14 3HZ LYS 14 -1.928 -6.847 3.666 84 HZ2 LYS 14 1HZ LYS 14 -0.907 -7.723 2.640 85 HZ3 LYS 14 2HZ LYS 14 -2.558 -7.610 2.294 86 H CYS 15 H CYS 15 -2.015 -0.409 0.835 87 HA CYS 15 HA CYS 15 -0.607 0.378 -1.468 88 HB2 CYS 15 1HB CYS 15 -0.356 1.736 0.451 89 HB3 CYS 15 2HB CYS 15 0.097 0.366 1.461 90 H SER 16 H SER 16 0.736 -0.721 -2.723 91 HA SER 16 HA SER 16 1.776 -3.287 -1.798 92 HB2 SER 16 1HB SER 16 0.599 -2.861 -4.079 93 HB3 SER 16 2HB SER 16 2.155 -2.195 -4.573 94 HG SER 16 HG SER 16 1.666 -4.578 -4.868 95 H GLU 17 H GLU 17 2.929 -0.969 -0.651 96 HA GLU 17 HA GLU 17 5.665 -1.174 -1.720 97 HB2 GLU 17 1HB GLU 17 4.448 1.308 -0.498 98 HB3 GLU 17 2HB GLU 17 6.062 1.154 -1.178 99 HG2 GLU 17 1HG GLU 17 4.951 2.187 -2.888 100 HG3 GLU 17 2HG GLU 17 4.786 0.493 -3.348 101 H CYS 18 H CYS 18 3.564 -0.866 1.057 102 HA CYS 18 HA CYS 18 5.778 -1.765 2.765 103 HB2 CYS 18 1HB CYS 18 5.048 -0.277 4.563 104 HB3 CYS 18 2HB CYS 18 5.480 0.650 3.131 105 H GLY 19 H GLY 19 2.261 -1.302 2.515 106 HA2 GLY 19 1HA GLY 19 1.003 -3.472 2.698 107 HA3 GLY 19 2HA GLY 19 1.929 -3.727 4.170 108 H LYS 20 H LYS 20 0.180 -0.912 2.863 109 HA LYS 20 HA LYS 20 -1.475 -0.926 5.296 110 HB2 LYS 20 1HB LYS 20 0.462 0.852 5.076 111 HB3 LYS 20 2HB LYS 20 -0.694 1.667 4.031 112 HG2 LYS 20 1HG LYS 20 -1.076 2.618 6.108 113 HG3 LYS 20 2HG LYS 20 -2.341 1.393 5.984 114 HD2 LYS 20 1HD LYS 20 -1.081 -0.120 7.369 115 HD3 LYS 20 2HD LYS 20 0.300 0.980 7.383 116 HE2 LYS 20 1HE LYS 20 -2.402 1.787 8.422 117 HE3 LYS 20 2HE LYS 20 -1.216 0.968 9.437 118 HZ1 LYS 20 3HZ LYS 20 -1.144 3.407 9.629 119 HZ2 LYS 20 1HZ LYS 20 -0.717 3.515 7.996 120 HZ3 LYS 20 2HZ LYS 20 0.322 2.756 9.093 121 H ALA 21 H ALA 21 -3.550 -1.112 4.804 122 HA ALA 21 HA ALA 21 -4.477 -0.103 2.195 123 HB1 ALA 21 3HB ALA 21 -6.344 -1.758 2.472 124 HB2 ALA 21 1HB ALA 21 -4.741 -2.464 2.263 125 HB3 ALA 21 2HB ALA 21 -5.475 -2.400 3.866 126 H PHE 22 H PHE 22 -6.427 1.029 2.077 127 HA PHE 22 HA PHE 22 -7.664 1.810 4.619 128 HB2 PHE 22 1HB PHE 22 -6.869 3.762 2.449 129 HB3 PHE 22 2HB PHE 22 -7.699 4.159 3.950 130 HD1 PHE 22 HD1 PHE 22 -4.534 2.753 2.618 131 HD2 PHE 22 HD2 PHE 22 -6.491 4.689 5.865 132 HE1 PHE 22 HE1 PHE 22 -2.362 3.085 3.725 133 HE2 PHE 22 HE2 PHE 22 -4.322 5.025 6.976 134 HZ PHE 22 HZ PHE 22 -2.253 4.223 5.906 135 H HIS 23 H HIS 23 -9.814 1.724 4.559 136 HA HIS 23 HA HIS 23 -11.244 0.733 2.393 137 HB2 HIS 23 1HB HIS 23 -12.333 0.480 4.429 138 HB3 HIS 23 2HB HIS 23 -12.026 2.144 4.917 139 HD1 HIS 23 HD1 HIS 23 -14.074 3.509 4.925 140 HD2 HIS 23 HD2 HIS 23 -14.229 0.532 2.031 141 HE1 HIS 23 HE1 HIS 23 -16.323 3.755 3.827 142 H ARG 24 H ARG 24 -10.222 3.950 3.074 143 HA ARG 24 HA ARG 24 -11.875 4.953 0.849 144 HB2 ARG 24 1HB ARG 24 -10.824 6.380 3.292 145 HB3 ARG 24 2HB ARG 24 -11.499 7.221 1.904 146 HG2 ARG 24 1HG ARG 24 -13.641 6.255 2.256 147 HG3 ARG 24 2HG ARG 24 -13.005 5.143 3.468 148 HD2 ARG 24 1HD ARG 24 -14.211 7.019 4.489 149 HD3 ARG 24 2HD ARG 24 -12.508 7.002 4.947 150 HE ARG 24 HE ARG 24 -12.595 8.658 2.790 151 HH11 ARG 24 1HH1 ARG 24 -14.271 8.534 5.839 152 HH12 ARG 24 2HH1 ARG 24 -14.485 10.250 5.940 153 HH21 ARG 24 1HH2 ARG 24 -12.871 10.919 2.911 154 HH22 ARG 24 2HH2 ARG 24 -13.689 11.606 4.274 155 H HIS 25 H HIS 25 -10.766 5.316 -0.945 156 HA HIS 25 HA HIS 25 -8.073 5.079 -1.330 157 HB2 HIS 25 1HB HIS 25 -9.574 7.122 -2.928 158 HB3 HIS 25 2HB HIS 25 -8.388 5.938 -3.470 159 HD1 HIS 25 HD1 HIS 25 -11.437 6.455 -4.503 160 HD2 HIS 25 HD2 HIS 25 -10.003 3.279 -2.241 161 HE1 HIS 25 HE1 HIS 25 -13.052 4.568 -4.895 162 H THR 26 H THR 26 -9.830 8.131 -0.803 163 HA THR 26 HA THR 26 -7.913 10.006 -0.978 164 HB THR 26 HB THR 26 -9.998 10.815 -0.310 165 HG1 THR 26 HG1 THR 26 -8.776 11.038 2.210 166 HG21 THR 26 3HG2 THR 26 -9.838 8.989 2.091 167 HG22 THR 26 1HG2 THR 26 -10.876 8.773 0.682 168 HG23 THR 26 2HG2 THR 26 -11.137 10.137 1.769 169 H HIS 27 H HIS 27 -8.283 7.741 1.711 170 HA HIS 27 HA HIS 27 -6.226 8.850 3.320 171 HB2 HIS 27 1HB HIS 27 -7.786 6.309 3.303 172 HB3 HIS 27 2HB HIS 27 -6.302 6.359 4.249 173 HD1 HIS 27 HD1 HIS 27 -8.608 5.960 5.956 174 HD2 HIS 27 HD2 HIS 27 -7.558 9.775 4.689 175 HE1 HIS 27 HE1 HIS 27 -9.668 7.532 7.607 176 H LEU 28 H LEU 28 -6.293 5.972 1.219 177 HA LEU 28 HA LEU 28 -3.595 5.285 1.524 178 HB2 LEU 28 1HB LEU 28 -5.188 3.734 0.602 179 HB3 LEU 28 2HB LEU 28 -5.494 4.803 -0.765 180 HG LEU 28 HG LEU 28 -2.887 4.406 -1.146 181 HD11 LEU 28 1HD1 LEU 28 -3.152 1.657 -0.599 182 HD12 LEU 28 2HD1 LEU 28 -3.567 2.516 0.884 183 HD13 LEU 28 3HD1 LEU 28 -2.011 2.803 0.105 184 HD21 LEU 28 3HD2 LEU 28 -4.171 3.905 -2.959 185 HD22 LEU 28 1HD2 LEU 28 -5.309 2.932 -2.025 186 HD23 LEU 28 2HD2 LEU 28 -3.735 2.268 -2.465 187 H ASN 29 H ASN 29 -5.156 7.018 -1.178 188 HA ASN 29 HA ASN 29 -3.009 7.612 -2.731 189 HB2 ASN 29 1HB ASN 29 -5.384 8.274 -3.176 190 HB3 ASN 29 2HB ASN 29 -5.172 9.613 -2.051 191 HD21 ASN 29 1HD2 ASN 29 -5.851 9.794 -4.810 192 HD22 ASN 29 2HD2 ASN 29 -4.587 10.672 -5.595 193 H GLU 30 H GLU 30 -3.840 9.058 0.347 194 HA GLU 30 HA GLU 30 -1.820 11.112 0.147 195 HB2 GLU 30 1HB GLU 30 -3.522 11.901 1.462 196 HB3 GLU 30 2HB GLU 30 -3.880 10.318 2.137 197 HG2 GLU 30 1HG GLU 30 -2.292 10.501 3.778 198 HG3 GLU 30 2HG GLU 30 -1.317 11.645 2.857 199 H HIS 31 H HIS 31 -2.304 8.200 2.138 200 HA HIS 31 HA HIS 31 -0.030 8.221 3.651 201 HB2 HIS 31 1HB HIS 31 -1.393 6.440 4.168 202 HB3 HIS 31 2HB HIS 31 -1.683 6.033 2.479 203 HD1 HIS 31 HD1 HIS 31 0.405 5.163 5.366 204 HD2 HIS 31 HD2 HIS 31 0.481 4.560 1.256 205 HE1 HIS 31 HE1 HIS 31 2.069 3.316 4.988 206 H ARG 32 H ARG 32 -0.331 6.798 0.398 207 HA ARG 32 HA ARG 32 2.132 5.799 -0.049 208 HB2 ARG 32 1HB ARG 32 0.592 7.546 -1.979 209 HB3 ARG 32 2HB ARG 32 1.892 6.446 -2.419 210 HG2 ARG 32 1HG ARG 32 0.539 4.561 -1.580 211 HG3 ARG 32 2HG ARG 32 -0.776 5.691 -1.246 212 HD2 ARG 32 1HD ARG 32 0.439 5.067 -3.934 213 HD3 ARG 32 2HD ARG 32 -1.162 4.597 -3.364 214 HE ARG 32 HE ARG 32 -0.701 7.439 -3.365 215 HH11 ARG 32 1HH1 ARG 32 -1.763 4.695 -5.228 216 HH12 ARG 32 2HH1 ARG 32 -2.715 5.642 -6.322 217 HH21 ARG 32 1HH2 ARG 32 -1.952 8.696 -4.800 218 HH22 ARG 32 2HH2 ARG 32 -2.821 7.917 -6.079 219 H ARG 33 H ARG 33 1.355 9.136 0.430 220 HA ARG 33 HA ARG 33 3.460 10.459 -0.756 221 HB2 ARG 33 1HB ARG 33 2.014 10.987 1.835 222 HB3 ARG 33 2HB ARG 33 3.239 12.080 1.206 223 HG2 ARG 33 1HG ARG 33 1.940 12.532 -0.743 224 HG3 ARG 33 2HG ARG 33 0.780 11.270 -0.323 225 HD2 ARG 33 1HD ARG 33 -0.265 13.264 0.319 226 HD3 ARG 33 2HD ARG 33 0.378 12.599 1.820 227 HE ARG 33 HE ARG 33 1.236 15.010 0.470 228 HH11 ARG 33 1HH1 ARG 33 1.969 12.587 2.860 229 HH12 ARG 33 2HH1 ARG 33 3.090 13.588 3.720 230 HH21 ARG 33 1HH2 ARG 33 2.711 16.338 1.594 231 HH22 ARG 33 2HH2 ARG 33 3.511 15.722 3.000 232 H ILE 34 H ILE 34 3.392 8.858 2.407 233 HA ILE 34 HA ILE 34 5.857 9.573 3.396 234 HB ILE 34 HB ILE 34 5.847 7.550 4.706 235 HG12 ILE 34 1HG1 ILE 34 3.466 6.457 3.276 236 HG13 ILE 34 2HG1 ILE 34 5.052 6.217 2.551 237 HG21 ILE 34 1HG2 ILE 34 4.305 8.672 5.858 238 HG22 ILE 34 2HG2 ILE 34 3.500 9.222 4.389 239 HG23 ILE 34 3HG2 ILE 34 3.109 7.643 5.070 240 HD11 ILE 34 3HD1 ILE 34 4.230 5.367 5.318 241 HD12 ILE 34 1HD1 ILE 34 4.400 4.316 3.912 242 HD13 ILE 34 2HD1 ILE 34 5.816 5.120 4.589 243 H HIS 35 H HIS 35 5.148 7.564 0.692 244 HA HIS 35 HA HIS 35 7.784 6.346 0.635 245 HB2 HIS 35 1HB HIS 35 5.458 6.191 -1.291 246 HB3 HIS 35 2HB HIS 35 6.967 5.303 -1.479 247 HD1 HIS 35 HD1 HIS 35 7.360 4.278 1.378 248 HD2 HIS 35 HD2 HIS 35 3.721 4.210 -0.625 249 HE1 HIS 35 HE1 HIS 35 6.011 2.475 2.497 250 H THR 36 H THR 36 6.001 8.904 -0.972 251 HA THR 36 HA THR 36 7.967 9.359 -3.004 252 HB THR 36 HB THR 36 6.674 11.222 -3.681 253 HG1 THR 36 HG1 THR 36 5.372 11.112 -1.145 254 HG21 THR 36 3HG2 THR 36 4.248 10.017 -2.837 255 HG22 THR 36 1HG2 THR 36 5.424 8.730 -3.097 256 HG23 THR 36 2HG2 THR 36 5.059 9.866 -4.395 257 H GLY 37 H GLY 37 9.516 10.969 -3.130 258 HA2 GLY 37 1HA GLY 37 10.455 11.958 -0.556 259 HA3 GLY 37 2HA GLY 37 11.336 12.005 -2.076 260 H TYR 38 H TYR 38 11.753 14.223 -1.083 261 HA TYR 38 HA TYR 38 9.766 16.189 -0.964 262 HB2 TYR 38 1HB TYR 38 11.516 17.771 -0.844 263 HB3 TYR 38 2HB TYR 38 12.172 16.311 -0.111 264 HD1 TYR 38 HD2 TYR 38 13.535 14.756 -1.707 265 HD2 TYR 38 HD1 TYR 38 12.726 18.857 -2.498 266 HE1 TYR 38 HE2 TYR 38 15.438 14.825 -3.263 267 HE2 TYR 38 HE1 TYR 38 14.627 18.937 -4.058 268 HH TYR 38 HH TYR 38 16.048 17.593 -5.298 269 H ARG 39 H ARG 39 9.910 18.207 -2.463 270 HA ARG 39 HA ARG 39 9.551 17.231 -5.209 271 HB2 ARG 39 1HB ARG 39 8.195 19.257 -5.555 272 HB3 ARG 39 2HB ARG 39 7.582 18.276 -4.231 273 HG2 ARG 39 1HG ARG 39 7.458 20.324 -3.263 274 HG3 ARG 39 2HG ARG 39 9.106 19.895 -2.802 275 HD2 ARG 39 1HD ARG 39 9.845 21.069 -4.929 276 HD3 ARG 39 2HD ARG 39 8.204 21.705 -5.028 277 HE ARG 39 HE ARG 39 10.284 22.597 -3.293 278 HH11 ARG 39 1HH1 ARG 39 6.835 22.215 -3.567 279 HH12 ARG 39 2HH1 ARG 39 6.474 23.490 -2.452 280 HH21 ARG 39 1HH2 ARG 39 9.822 24.278 -1.823 281 HH22 ARG 39 2HH2 ARG 39 8.174 24.664 -1.461 282 HA PRO 40 HA PRO 40 13.108 19.422 -6.593 283 HB2 PRO 40 1HB PRO 40 12.438 19.730 -9.206 284 HB3 PRO 40 2HB PRO 40 12.938 18.181 -8.519 285 HG2 PRO 40 1HG PRO 40 10.181 19.199 -9.089 286 HG3 PRO 40 2HG PRO 40 10.863 17.589 -9.386 287 HD2 PRO 40 1HD PRO 40 9.276 18.130 -7.260 288 HD3 PRO 40 2HD PRO 40 10.581 16.928 -7.196 289 H SER 41 H SER 41 9.993 20.695 -7.773 290 HA SER 41 HA SER 41 10.789 23.371 -6.952 291 HB2 SER 41 1HB SER 41 10.398 22.527 -9.793 292 HB3 SER 41 2HB SER 41 9.856 24.134 -9.309 293 HG SER 41 HG SER 41 12.420 23.120 -9.554 294 H GLY 42 H GLY 42 8.903 24.949 -7.437 295 HA2 GLY 42 1HA GLY 42 6.374 24.674 -7.946 296 HA3 GLY 42 2HA GLY 42 6.447 23.587 -6.567 297 HA PRO 43 HA PRO 43 7.339 28.068 -4.930 298 HB2 PRO 43 1HB PRO 43 6.695 30.086 -6.628 299 HB3 PRO 43 2HB PRO 43 8.306 29.360 -6.565 300 HG2 PRO 43 1HG PRO 43 6.067 28.840 -8.483 301 HG3 PRO 43 2HG PRO 43 7.799 29.030 -8.810 302 HD2 PRO 43 1HD PRO 43 6.597 26.607 -8.686 303 HD3 PRO 43 2HD PRO 43 8.283 26.863 -8.190 304 H SER 44 H SER 44 5.762 28.414 -3.509 305 HA SER 44 HA SER 44 3.091 29.128 -4.492 306 HB2 SER 44 1HB SER 44 2.879 26.797 -3.943 307 HB3 SER 44 2HB SER 44 3.715 27.027 -2.408 308 HG SER 44 HG SER 44 1.534 26.978 -1.988 309 H SER 45 H SER 45 2.854 31.155 -3.808 310 HA SER 45 HA SER 45 4.118 32.160 -1.447 311 HB2 SER 45 1HB SER 45 3.396 33.397 -3.662 312 HB3 SER 45 2HB SER 45 1.879 33.622 -2.792 313 HG SER 45 HG SER 45 4.251 34.214 -1.447 314 H GLY 46 H GLY 46 3.122 32.920 0.456 315 HA2 GLY 46 1HA GLY 46 0.983 33.274 1.659 316 HA3 GLY 46 2HA GLY 46 0.457 31.746 0.969 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -17.632 -22.192 6.953 2 HA2 GLY 1 1HA GLY 1 -18.145 -24.214 5.066 3 HA3 GLY 1 2HA GLY 1 -18.357 -22.655 4.283 4 H SER 2 H SER 2 -16.596 -23.036 2.903 5 HA SER 2 HA SER 2 -13.966 -22.922 4.230 6 HB2 SER 2 1HB SER 2 -14.761 -24.221 1.619 7 HB3 SER 2 2HB SER 2 -13.084 -23.951 2.093 8 HG SER 2 HG SER 2 -13.781 -25.134 4.100 9 H SER 3 H SER 3 -15.718 -21.972 1.282 10 HA SER 3 HA SER 3 -13.771 -20.062 0.472 11 HB2 SER 3 1HB SER 3 -15.463 -19.342 -1.164 12 HB3 SER 3 2HB SER 3 -15.320 -21.100 -1.131 13 HG SER 3 HG SER 3 -17.151 -20.920 0.454 14 H GLY 4 H GLY 4 -16.861 -19.836 2.192 15 HA2 GLY 4 1HA GLY 4 -17.601 -18.230 3.674 16 HA3 GLY 4 2HA GLY 4 -16.019 -17.472 3.568 17 H SER 5 H SER 5 -18.955 -16.547 3.400 18 HA SER 5 HA SER 5 -18.755 -15.094 0.851 19 HB2 SER 5 1HB SER 5 -20.806 -16.452 1.177 20 HB3 SER 5 2HB SER 5 -21.187 -15.497 2.610 21 HG SER 5 HG SER 5 -22.248 -14.394 1.124 22 H SER 6 H SER 6 -19.588 -14.656 4.276 23 HA SER 6 HA SER 6 -20.029 -11.957 4.372 24 HB2 SER 6 1HB SER 6 -19.095 -12.052 6.709 25 HB3 SER 6 2HB SER 6 -20.302 -13.288 6.354 26 HG SER 6 HG SER 6 -18.169 -14.481 5.717 27 H GLY 7 H GLY 7 -18.865 -10.144 4.136 28 HA2 GLY 7 1HA GLY 7 -16.040 -10.441 3.423 29 HA3 GLY 7 2HA GLY 7 -17.048 -9.038 3.098 30 H SER 8 H SER 8 -17.818 -7.871 5.127 31 HA SER 8 HA SER 8 -17.213 -6.528 6.866 32 HB2 SER 8 1HB SER 8 -17.639 -8.660 8.070 33 HB3 SER 8 2HB SER 8 -15.931 -9.068 7.905 34 HG SER 8 HG SER 8 -16.950 -6.771 9.229 35 H GLY 9 H GLY 9 -15.524 -6.263 4.709 36 HA2 GLY 9 1HA GLY 9 -13.369 -4.875 5.694 37 HA3 GLY 9 2HA GLY 9 -12.772 -6.512 5.462 38 H GLU 10 H GLU 10 -14.745 -4.137 3.670 39 HA GLU 10 HA GLU 10 -13.590 -5.078 1.171 40 HB2 GLU 10 1HB GLU 10 -16.061 -4.521 1.508 41 HB3 GLU 10 2HB GLU 10 -15.571 -2.833 1.502 42 HG2 GLU 10 1HG GLU 10 -14.879 -2.923 -0.731 43 HG3 GLU 10 2HG GLU 10 -14.863 -4.685 -0.744 44 H LYS 11 H LYS 11 -11.431 -4.292 1.896 45 HA LYS 11 HA LYS 11 -11.097 -1.457 1.171 46 HB2 LYS 11 1HB LYS 11 -9.518 -3.007 3.233 47 HB3 LYS 11 2HB LYS 11 -9.188 -1.354 2.733 48 HG2 LYS 11 1HG LYS 11 -11.054 -0.515 3.806 49 HG3 LYS 11 2HG LYS 11 -11.873 -2.079 3.822 50 HD2 LYS 11 1HD LYS 11 -10.504 -2.890 5.564 51 HD3 LYS 11 2HD LYS 11 -9.346 -1.571 5.372 52 HE2 LYS 11 1HE LYS 11 -11.013 0.020 6.166 53 HE3 LYS 11 2HE LYS 11 -12.198 -1.277 6.315 54 HZ1 LYS 11 3HZ LYS 11 -10.350 -0.432 8.213 55 HZ2 LYS 11 1HZ LYS 11 -9.868 -1.979 7.728 56 HZ3 LYS 11 2HZ LYS 11 -11.430 -1.729 8.326 57 HA PRO 12 HA PRO 12 -8.662 -4.202 -1.692 58 HB2 PRO 12 1HB PRO 12 -9.486 -2.967 -3.965 59 HB3 PRO 12 2HB PRO 12 -10.381 -4.292 -3.214 60 HG2 PRO 12 1HG PRO 12 -10.864 -1.343 -3.041 61 HG3 PRO 12 2HG PRO 12 -12.035 -2.658 -3.254 62 HD2 PRO 12 1HD PRO 12 -11.600 -1.468 -0.861 63 HD3 PRO 12 2HD PRO 12 -12.047 -3.179 -1.009 64 H TYR 13 H TYR 13 -8.695 -1.023 -0.679 65 HA TYR 13 HA TYR 13 -6.675 -0.043 -2.512 66 HB2 TYR 13 1HB TYR 13 -8.026 1.163 -0.098 67 HB3 TYR 13 2HB TYR 13 -6.734 1.977 -0.973 68 HD1 TYR 13 HD2 TYR 13 -9.752 0.054 -2.065 69 HD2 TYR 13 HD1 TYR 13 -7.589 3.715 -2.223 70 HE1 TYR 13 HE2 TYR 13 -11.401 0.953 -3.652 71 HE2 TYR 13 HE1 TYR 13 -9.233 4.624 -3.811 72 HH TYR 13 HH TYR 13 -10.975 3.323 -5.603 73 H LYS 14 H LYS 14 -5.365 -2.029 -1.754 74 HA LYS 14 HA LYS 14 -3.993 -1.661 0.775 75 HB2 LYS 14 1HB LYS 14 -4.620 -3.921 -0.101 76 HB3 LYS 14 2HB LYS 14 -3.452 -3.693 -1.396 77 HG2 LYS 14 1HG LYS 14 -1.632 -3.727 0.103 78 HG3 LYS 14 2HG LYS 14 -2.690 -3.561 1.506 79 HD2 LYS 14 1HD LYS 14 -3.705 -5.812 0.534 80 HD3 LYS 14 2HD LYS 14 -2.084 -5.952 -0.153 81 HE2 LYS 14 1HE LYS 14 -1.101 -5.748 2.051 82 HE3 LYS 14 2HE LYS 14 -2.692 -5.489 2.766 83 HZ1 LYS 14 3HZ LYS 14 -2.576 -7.689 3.122 84 HZ2 LYS 14 1HZ LYS 14 -1.427 -7.951 1.907 85 HZ3 LYS 14 2HZ LYS 14 -3.065 -7.810 1.507 86 H CYS 15 H CYS 15 -1.902 -1.012 1.051 87 HA CYS 15 HA CYS 15 -0.713 0.449 -1.154 88 HB2 CYS 15 1HB CYS 15 -0.677 1.626 0.900 89 HB3 CYS 15 2HB CYS 15 -0.079 0.226 1.783 90 H SER 16 H SER 16 0.685 -0.450 -2.499 91 HA SER 16 HA SER 16 2.028 -2.926 -1.760 92 HB2 SER 16 1HB SER 16 0.844 -2.372 -4.038 93 HB3 SER 16 2HB SER 16 2.376 -1.589 -4.421 94 HG SER 16 HG SER 16 2.553 -3.685 -5.091 95 H GLU 17 H GLU 17 2.890 -0.595 -0.395 96 HA GLU 17 HA GLU 17 5.651 -0.412 -1.400 97 HB2 GLU 17 1HB GLU 17 4.148 1.821 -0.027 98 HB3 GLU 17 2HB GLU 17 5.778 1.896 -0.683 99 HG2 GLU 17 1HG GLU 17 4.567 2.937 -2.326 100 HG3 GLU 17 2HG GLU 17 4.623 1.280 -2.925 101 H CYS 18 H CYS 18 3.474 -0.503 1.343 102 HA CYS 18 HA CYS 18 5.762 -1.209 3.057 103 HB2 CYS 18 1HB CYS 18 4.717 -0.060 4.931 104 HB3 CYS 18 2HB CYS 18 4.952 1.064 3.596 105 H GLY 19 H GLY 19 2.236 -1.421 2.655 106 HA2 GLY 19 1HA GLY 19 1.393 -3.775 2.581 107 HA3 GLY 19 2HA GLY 19 2.347 -4.034 4.034 108 H LYS 20 H LYS 20 0.223 -1.335 3.128 109 HA LYS 20 HA LYS 20 -1.359 -1.906 5.549 110 HB2 LYS 20 1HB LYS 20 -0.662 0.723 4.242 111 HB3 LYS 20 2HB LYS 20 -1.912 0.568 5.469 112 HG2 LYS 20 1HG LYS 20 -0.279 -0.211 7.078 113 HG3 LYS 20 2HG LYS 20 0.987 -0.157 5.849 114 HD2 LYS 20 1HD LYS 20 1.352 1.862 6.847 115 HD3 LYS 20 2HD LYS 20 0.161 2.353 5.640 116 HE2 LYS 20 1HE LYS 20 -0.823 1.415 8.284 117 HE3 LYS 20 2HE LYS 20 -0.077 3.009 8.197 118 HZ1 LYS 20 3HZ LYS 20 -2.341 2.102 6.503 119 HZ2 LYS 20 1HZ LYS 20 -1.659 3.651 6.518 120 HZ3 LYS 20 2HZ LYS 20 -2.490 3.079 7.876 121 H ALA 21 H ALA 21 -3.617 -0.852 5.388 122 HA ALA 21 HA ALA 21 -4.718 -1.013 2.682 123 HB1 ALA 21 3HB ALA 21 -6.448 -2.556 3.298 124 HB2 ALA 21 1HB ALA 21 -4.888 -3.272 3.708 125 HB3 ALA 21 2HB ALA 21 -5.899 -2.573 4.974 126 H PHE 22 H PHE 22 -6.306 0.427 2.311 127 HA PHE 22 HA PHE 22 -7.490 1.801 4.630 128 HB2 PHE 22 1HB PHE 22 -6.895 3.211 2.038 129 HB3 PHE 22 2HB PHE 22 -7.248 3.914 3.613 130 HD1 PHE 22 HD1 PHE 22 -4.703 1.992 1.728 131 HD2 PHE 22 HD2 PHE 22 -5.526 4.467 5.092 132 HE1 PHE 22 HE1 PHE 22 -2.291 2.175 2.180 133 HE2 PHE 22 HE2 PHE 22 -3.116 4.655 5.548 134 HZ PHE 22 HZ PHE 22 -1.495 3.509 4.091 135 H HIS 23 H HIS 23 -9.576 2.800 4.219 136 HA HIS 23 HA HIS 23 -11.163 1.175 2.383 137 HB2 HIS 23 1HB HIS 23 -11.816 1.438 4.799 138 HB3 HIS 23 2HB HIS 23 -12.144 3.135 4.464 139 HD1 HIS 23 HD1 HIS 23 -14.012 0.334 5.036 140 HD2 HIS 23 HD2 HIS 23 -13.957 2.998 1.848 141 HE1 HIS 23 HE1 HIS 23 -16.253 0.095 3.920 142 H ARG 24 H ARG 24 -10.560 4.583 3.163 143 HA ARG 24 HA ARG 24 -11.992 5.382 0.736 144 HB2 ARG 24 1HB ARG 24 -11.175 6.777 3.246 145 HB3 ARG 24 2HB ARG 24 -11.369 7.733 1.782 146 HG2 ARG 24 1HG ARG 24 -13.666 6.955 1.562 147 HG3 ARG 24 2HG ARG 24 -13.474 5.964 3.010 148 HD2 ARG 24 1HD ARG 24 -14.437 7.804 3.948 149 HD3 ARG 24 2HD ARG 24 -12.744 8.284 4.053 150 HE ARG 24 HE ARG 24 -13.458 9.294 1.678 151 HH11 ARG 24 1HH1 ARG 24 -14.971 9.440 4.810 152 HH12 ARG 24 2HH1 ARG 24 -15.697 10.989 4.531 153 HH21 ARG 24 1HH2 ARG 24 -14.409 11.333 1.299 154 HH22 ARG 24 2HH2 ARG 24 -15.377 12.064 2.533 155 H HIS 25 H HIS 25 -10.938 5.900 -1.061 156 HA HIS 25 HA HIS 25 -8.338 5.504 -1.631 157 HB2 HIS 25 1HB HIS 25 -10.223 6.250 -3.198 158 HB3 HIS 25 2HB HIS 25 -9.765 7.898 -2.780 159 HD1 HIS 25 HD1 HIS 25 -6.786 7.869 -2.943 160 HD2 HIS 25 HD2 HIS 25 -9.176 5.810 -5.646 161 HE1 HIS 25 HE1 HIS 25 -5.367 7.561 -4.996 162 H THR 26 H THR 26 -9.613 8.721 -0.754 163 HA THR 26 HA THR 26 -7.461 10.289 -0.711 164 HB THR 26 HB THR 26 -9.412 10.079 1.591 165 HG1 THR 26 HG1 THR 26 -9.533 12.051 -0.402 166 HG21 THR 26 3HG2 THR 26 -7.188 11.930 1.010 167 HG22 THR 26 1HG2 THR 26 -7.935 11.504 2.549 168 HG23 THR 26 2HG2 THR 26 -8.708 12.683 1.489 169 H HIS 27 H HIS 27 -8.178 7.931 1.850 170 HA HIS 27 HA HIS 27 -5.946 8.482 3.460 171 HB2 HIS 27 1HB HIS 27 -7.594 5.974 3.124 172 HB3 HIS 27 2HB HIS 27 -6.327 6.138 4.336 173 HD1 HIS 27 HD1 HIS 27 -7.752 6.133 6.408 174 HD2 HIS 27 HD2 HIS 27 -9.004 8.932 3.605 175 HE1 HIS 27 HE1 HIS 27 -9.500 7.516 7.573 176 H LEU 28 H LEU 28 -6.418 5.926 1.021 177 HA LEU 28 HA LEU 28 -3.870 4.806 1.172 178 HB2 LEU 28 1HB LEU 28 -5.572 3.637 0.013 179 HB3 LEU 28 2HB LEU 28 -5.849 4.989 -1.083 180 HG LEU 28 HG LEU 28 -3.487 4.551 -1.949 181 HD11 LEU 28 1HD1 LEU 28 -3.361 1.811 -1.505 182 HD12 LEU 28 2HD1 LEU 28 -3.694 2.508 0.080 183 HD13 LEU 28 3HD1 LEU 28 -2.289 3.044 -0.842 184 HD21 LEU 28 3HD2 LEU 28 -5.751 3.901 -2.987 185 HD22 LEU 28 1HD2 LEU 28 -5.358 2.266 -2.457 186 HD23 LEU 28 2HD2 LEU 28 -4.294 3.105 -3.585 187 H ASN 29 H ASN 29 -5.083 7.304 -1.058 188 HA ASN 29 HA ASN 29 -2.678 7.737 -2.422 189 HB2 ASN 29 1HB ASN 29 -4.853 8.567 -3.220 190 HB3 ASN 29 2HB ASN 29 -4.910 9.708 -1.879 191 HD21 ASN 29 1HD2 ASN 29 -5.195 11.084 -3.897 192 HD22 ASN 29 2HD2 ASN 29 -3.754 11.777 -4.552 193 H GLU 30 H GLU 30 -4.113 9.803 0.112 194 HA GLU 30 HA GLU 30 -2.013 11.517 0.516 195 HB2 GLU 30 1HB GLU 30 -4.069 10.413 2.408 196 HB3 GLU 30 2HB GLU 30 -2.849 11.548 2.966 197 HG2 GLU 30 1HG GLU 30 -4.483 12.224 0.569 198 HG3 GLU 30 2HG GLU 30 -5.186 12.389 2.177 199 H HIS 31 H HIS 31 -2.327 8.206 1.568 200 HA HIS 31 HA HIS 31 -0.161 8.256 3.425 201 HB2 HIS 31 1HB HIS 31 -1.690 6.520 3.794 202 HB3 HIS 31 2HB HIS 31 -1.736 6.073 2.091 203 HD1 HIS 31 HD1 HIS 31 0.253 5.590 5.216 204 HD2 HIS 31 HD2 HIS 31 0.304 4.347 1.252 205 HE1 HIS 31 HE1 HIS 31 1.914 3.705 5.124 206 H ARG 32 H ARG 32 -0.479 6.865 0.155 207 HA ARG 32 HA ARG 32 1.980 5.888 -0.322 208 HB2 ARG 32 1HB ARG 32 0.169 7.493 -2.101 209 HB3 ARG 32 2HB ARG 32 1.713 6.902 -2.699 210 HG2 ARG 32 1HG ARG 32 1.071 4.650 -2.426 211 HG3 ARG 32 2HG ARG 32 -0.335 5.092 -1.456 212 HD2 ARG 32 1HD ARG 32 -1.261 4.618 -3.531 213 HD3 ARG 32 2HD ARG 32 -1.098 6.374 -3.561 214 HE ARG 32 HE ARG 32 1.214 5.507 -4.675 215 HH11 ARG 32 1HH1 ARG 32 -2.150 4.869 -5.306 216 HH12 ARG 32 2HH1 ARG 32 -1.914 4.594 -7.001 217 HH21 ARG 32 1HH2 ARG 32 1.537 5.147 -6.905 218 HH22 ARG 32 2HH2 ARG 32 0.183 4.752 -7.909 219 H ARG 33 H ARG 33 1.202 9.226 0.180 220 HA ARG 33 HA ARG 33 3.294 10.568 -0.990 221 HB2 ARG 33 1HB ARG 33 1.984 11.066 1.686 222 HB3 ARG 33 2HB ARG 33 3.083 12.198 0.909 223 HG2 ARG 33 1HG ARG 33 1.456 12.063 -1.086 224 HG3 ARG 33 2HG ARG 33 0.327 11.385 0.088 225 HD2 ARG 33 1HD ARG 33 1.746 14.032 0.364 226 HD3 ARG 33 2HD ARG 33 0.081 13.826 -0.178 227 HE ARG 33 HE ARG 33 0.019 12.597 2.189 228 HH11 ARG 33 1HH1 ARG 33 1.350 15.671 1.241 229 HH12 ARG 33 2HH1 ARG 33 1.090 16.408 2.787 230 HH21 ARG 33 1HH2 ARG 33 -0.329 13.555 4.229 231 HH22 ARG 33 2HH2 ARG 33 0.136 15.203 4.486 232 H ILE 34 H ILE 34 3.269 9.139 2.275 233 HA ILE 34 HA ILE 34 5.835 9.771 3.059 234 HB ILE 34 HB ILE 34 5.749 7.912 4.590 235 HG12 ILE 34 1HG1 ILE 34 3.210 6.869 3.416 236 HG13 ILE 34 2HG1 ILE 34 4.728 6.420 2.645 237 HG21 ILE 34 1HG2 ILE 34 3.359 9.586 4.146 238 HG22 ILE 34 2HG2 ILE 34 3.173 8.233 5.260 239 HG23 ILE 34 3HG2 ILE 34 4.410 9.455 5.556 240 HD11 ILE 34 3HD1 ILE 34 4.845 4.766 4.110 241 HD12 ILE 34 1HD1 ILE 34 5.180 5.985 5.340 242 HD13 ILE 34 2HD1 ILE 34 3.527 5.432 5.073 243 H HIS 35 H HIS 35 4.859 7.677 0.551 244 HA HIS 35 HA HIS 35 7.447 6.304 0.498 245 HB2 HIS 35 1HB HIS 35 4.877 5.820 -1.014 246 HB3 HIS 35 2HB HIS 35 6.370 4.940 -1.327 247 HD1 HIS 35 HD1 HIS 35 7.351 4.082 1.308 248 HD2 HIS 35 HD2 HIS 35 3.288 4.214 0.451 249 HE1 HIS 35 HE1 HIS 35 6.267 2.515 2.949 250 H THR 36 H THR 36 5.552 8.688 -1.173 251 HA THR 36 HA THR 36 7.682 8.937 -3.197 252 HB THR 36 HB THR 36 5.578 8.348 -4.253 253 HG1 THR 36 HG1 THR 36 6.786 9.799 -5.449 254 HG21 THR 36 3HG2 THR 36 4.412 10.860 -3.057 255 HG22 THR 36 1HG2 THR 36 4.123 9.242 -2.420 256 HG23 THR 36 2HG2 THR 36 3.582 9.659 -4.045 257 H GLY 37 H GLY 37 8.947 10.643 -2.894 258 HA2 GLY 37 1HA GLY 37 7.788 13.230 -2.282 259 HA3 GLY 37 2HA GLY 37 8.845 12.582 -1.036 260 H TYR 38 H TYR 38 9.405 14.977 -2.295 261 HA TYR 38 HA TYR 38 11.407 14.435 -4.338 262 HB2 TYR 38 1HB TYR 38 11.382 16.705 -4.814 263 HB3 TYR 38 2HB TYR 38 9.731 16.438 -4.265 264 HD1 TYR 38 HD2 TYR 38 9.203 16.969 -1.812 265 HD2 TYR 38 HD1 TYR 38 12.729 18.311 -3.779 266 HE1 TYR 38 HE2 TYR 38 9.485 18.715 -0.103 267 HE2 TYR 38 HE1 TYR 38 13.021 20.060 -2.075 268 HH TYR 38 HH TYR 38 10.921 20.241 0.750 269 H ARG 39 H ARG 39 13.601 15.054 -4.141 270 HA ARG 39 HA ARG 39 14.547 15.178 -1.353 271 HB2 ARG 39 1HB ARG 39 16.487 13.945 -1.989 272 HB3 ARG 39 2HB ARG 39 15.097 13.089 -2.644 273 HG2 ARG 39 1HG ARG 39 15.528 14.136 -4.837 274 HG3 ARG 39 2HG ARG 39 16.973 14.889 -4.160 275 HD2 ARG 39 1HD ARG 39 17.965 12.742 -3.744 276 HD3 ARG 39 2HD ARG 39 16.479 11.917 -4.212 277 HE ARG 39 HE ARG 39 17.589 13.575 -6.282 278 HH11 ARG 39 1HH1 ARG 39 17.633 10.427 -4.797 279 HH12 ARG 39 2HH1 ARG 39 18.232 9.624 -6.211 280 HH21 ARG 39 1HH2 ARG 39 18.377 12.530 -8.150 281 HH22 ARG 39 2HH2 ARG 39 18.655 10.822 -8.118 282 HA PRO 40 HA PRO 40 16.413 19.063 -2.222 283 HB2 PRO 40 1HB PRO 40 18.426 19.024 -0.401 284 HB3 PRO 40 2HB PRO 40 16.731 19.256 0.045 285 HG2 PRO 40 1HG PRO 40 18.396 16.770 0.155 286 HG3 PRO 40 2HG PRO 40 17.242 17.398 1.346 287 HD2 PRO 40 1HD PRO 40 16.615 15.408 -0.379 288 HD3 PRO 40 2HD PRO 40 15.418 16.586 0.195 289 H SER 41 H SER 41 17.287 18.904 -4.272 290 HA SER 41 HA SER 41 19.414 17.341 -5.101 291 HB2 SER 41 1HB SER 41 18.287 19.949 -6.060 292 HB3 SER 41 2HB SER 41 19.761 19.314 -6.792 293 HG SER 41 HG SER 41 18.507 18.075 -7.916 294 H GLY 42 H GLY 42 21.545 17.363 -4.767 295 HA2 GLY 42 1HA GLY 42 23.018 19.769 -4.278 296 HA3 GLY 42 2HA GLY 42 22.809 18.820 -2.814 297 HA PRO 43 HA PRO 43 26.252 17.197 -5.775 298 HB2 PRO 43 1HB PRO 43 28.388 18.675 -4.985 299 HB3 PRO 43 2HB PRO 43 27.342 19.142 -6.331 300 HG2 PRO 43 1HG PRO 43 27.331 20.112 -3.498 301 HG3 PRO 43 2HG PRO 43 27.162 21.040 -5.000 302 HD2 PRO 43 1HD PRO 43 25.040 20.357 -3.463 303 HD3 PRO 43 2HD PRO 43 24.932 20.503 -5.229 304 H SER 44 H SER 44 25.779 17.875 -2.458 305 HA SER 44 HA SER 44 27.944 16.780 -1.174 306 HB2 SER 44 1HB SER 44 25.672 17.763 -0.264 307 HB3 SER 44 2HB SER 44 25.208 16.063 -0.193 308 HG SER 44 HG SER 44 26.149 16.343 1.719 309 H SER 45 H SER 45 28.794 14.806 -0.903 310 HA SER 45 HA SER 45 27.921 12.659 -2.554 311 HB2 SER 45 1HB SER 45 30.315 13.191 -1.758 312 HB3 SER 45 2HB SER 45 29.861 12.369 -0.266 313 HG SER 45 HG SER 45 29.431 11.134 -2.758 314 H GLY 46 H GLY 46 27.238 10.554 -1.883 315 HA2 GLY 46 1HA GLY 46 26.627 9.662 0.634 316 HA3 GLY 46 2HA GLY 46 25.248 10.653 0.181 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.326 -30.452 5.511 2 HA2 GLY 1 1HA GLY 1 -0.359 -28.854 6.421 3 HA3 GLY 1 2HA GLY 1 0.113 -29.440 8.010 4 H SER 2 H SER 2 0.184 -26.724 6.799 5 HA SER 2 HA SER 2 3.000 -26.155 7.414 6 HB2 SER 2 1HB SER 2 2.674 -26.089 4.949 7 HB3 SER 2 2HB SER 2 1.447 -24.843 5.170 8 HG SER 2 HG SER 2 3.052 -23.510 6.070 9 H SER 3 H SER 3 2.980 -24.987 9.210 10 HA SER 3 HA SER 3 0.711 -23.435 10.015 11 HB2 SER 3 1HB SER 3 2.006 -24.516 11.732 12 HB3 SER 3 2HB SER 3 3.486 -23.730 11.183 13 HG SER 3 HG SER 3 2.352 -22.786 13.067 14 H GLY 4 H GLY 4 0.545 -21.961 8.232 15 HA2 GLY 4 1HA GLY 4 2.523 -19.770 8.383 16 HA3 GLY 4 2HA GLY 4 1.775 -20.270 6.873 17 H SER 5 H SER 5 1.493 -17.743 7.207 18 HA SER 5 HA SER 5 -1.307 -17.405 7.957 19 HB2 SER 5 1HB SER 5 -0.131 -16.731 9.975 20 HB3 SER 5 2HB SER 5 0.928 -15.674 9.042 21 HG SER 5 HG SER 5 -1.877 -15.401 9.384 22 H SER 6 H SER 6 -2.376 -15.812 6.812 23 HA SER 6 HA SER 6 -0.837 -14.622 4.601 24 HB2 SER 6 1HB SER 6 -2.817 -16.314 4.229 25 HB3 SER 6 2HB SER 6 -3.820 -14.893 4.521 26 HG SER 6 HG SER 6 -3.080 -13.974 2.717 27 H GLY 7 H GLY 7 -1.228 -12.471 3.996 28 HA2 GLY 7 1HA GLY 7 -2.596 -10.869 6.070 29 HA3 GLY 7 2HA GLY 7 -1.140 -10.341 5.241 30 H SER 8 H SER 8 -4.539 -11.189 4.703 31 HA SER 8 HA SER 8 -4.544 -9.331 2.415 32 HB2 SER 8 1HB SER 8 -6.343 -11.720 2.895 33 HB3 SER 8 2HB SER 8 -6.429 -10.632 1.510 34 HG SER 8 HG SER 8 -4.165 -11.276 1.140 35 H GLY 9 H GLY 9 -5.665 -7.524 2.690 36 HA2 GLY 9 1HA GLY 9 -7.523 -7.347 4.949 37 HA3 GLY 9 2HA GLY 9 -6.826 -5.991 4.074 38 H GLU 10 H GLU 10 -9.661 -7.207 4.739 39 HA GLU 10 HA GLU 10 -11.017 -7.796 2.411 40 HB2 GLU 10 1HB GLU 10 -11.835 -6.454 4.963 41 HB3 GLU 10 2HB GLU 10 -12.980 -6.568 3.634 42 HG2 GLU 10 1HG GLU 10 -13.023 -8.902 3.715 43 HG3 GLU 10 2HG GLU 10 -11.548 -8.983 4.676 44 H LYS 11 H LYS 11 -9.801 -4.738 3.519 45 HA LYS 11 HA LYS 11 -11.360 -2.988 1.992 46 HB2 LYS 11 1HB LYS 11 -8.664 -2.869 3.250 47 HB3 LYS 11 2HB LYS 11 -9.060 -1.639 2.058 48 HG2 LYS 11 1HG LYS 11 -9.583 -0.784 4.219 49 HG3 LYS 11 2HG LYS 11 -11.100 -1.105 3.375 50 HD2 LYS 11 1HD LYS 11 -11.580 -2.049 5.400 51 HD3 LYS 11 2HD LYS 11 -10.865 -3.443 4.588 52 HE2 LYS 11 1HE LYS 11 -8.639 -2.553 5.592 53 HE3 LYS 11 2HE LYS 11 -9.694 -1.667 6.692 54 HZ1 LYS 11 3HZ LYS 11 -10.245 -3.525 7.786 55 HZ2 LYS 11 1HZ LYS 11 -8.838 -4.171 7.103 56 HZ3 LYS 11 2HZ LYS 11 -10.340 -4.468 6.385 57 HA PRO 12 HA PRO 12 -10.097 -3.723 -2.158 58 HB2 PRO 12 1HB PRO 12 -10.636 -1.287 -3.228 59 HB3 PRO 12 2HB PRO 12 -11.898 -2.439 -2.779 60 HG2 PRO 12 1HG PRO 12 -10.887 -0.057 -1.274 61 HG3 PRO 12 2HG PRO 12 -12.557 -0.604 -1.513 62 HD2 PRO 12 1HD PRO 12 -11.184 -1.072 0.773 63 HD3 PRO 12 2HD PRO 12 -12.406 -2.196 0.146 64 H TYR 13 H TYR 13 -9.069 -0.537 -0.915 65 HA TYR 13 HA TYR 13 -6.737 -0.514 -2.604 66 HB2 TYR 13 1HB TYR 13 -7.348 1.343 -0.303 67 HB3 TYR 13 2HB TYR 13 -6.279 1.643 -1.669 68 HD1 TYR 13 HD1 TYR 13 -7.412 1.617 -4.023 69 HD2 TYR 13 HD2 TYR 13 -9.527 2.137 -0.368 70 HE1 TYR 13 HE1 TYR 13 -9.269 2.658 -5.253 71 HE2 TYR 13 HE2 TYR 13 -11.391 3.178 -1.588 72 HH TYR 13 HH TYR 13 -11.691 3.038 -4.956 73 H LYS 14 H LYS 14 -4.833 -1.383 -2.150 74 HA LYS 14 HA LYS 14 -4.033 -1.708 0.654 75 HB2 LYS 14 1HB LYS 14 -4.918 -3.867 -0.041 76 HB3 LYS 14 2HB LYS 14 -3.890 -3.857 -1.468 77 HG2 LYS 14 1HG LYS 14 -2.738 -5.248 -0.042 78 HG3 LYS 14 2HG LYS 14 -1.947 -3.695 0.237 79 HD2 LYS 14 1HD LYS 14 -3.161 -3.354 2.262 80 HD3 LYS 14 2HD LYS 14 -4.212 -4.734 1.931 81 HE2 LYS 14 1HE LYS 14 -2.441 -6.274 2.282 82 HE3 LYS 14 2HE LYS 14 -1.234 -4.989 2.286 83 HZ1 LYS 14 3HZ LYS 14 -2.459 -4.124 4.312 84 HZ2 LYS 14 1HZ LYS 14 -1.555 -5.539 4.519 85 HZ3 LYS 14 2HZ LYS 14 -3.237 -5.625 4.367 86 H CYS 15 H CYS 15 -2.342 -0.364 0.764 87 HA CYS 15 HA CYS 15 -0.691 0.514 -1.241 88 HB2 CYS 15 1HB CYS 15 -0.593 1.570 0.899 89 HB3 CYS 15 2HB CYS 15 -0.102 0.074 1.687 90 H SER 16 H SER 16 0.858 -0.342 -2.463 91 HA SER 16 HA SER 16 1.824 -3.034 -1.787 92 HB2 SER 16 1HB SER 16 0.675 -2.787 -3.966 93 HB3 SER 16 2HB SER 16 1.884 -1.599 -4.454 94 HG SER 16 HG SER 16 3.436 -3.180 -4.429 95 H GLU 17 H GLU 17 2.973 -0.927 -0.400 96 HA GLU 17 HA GLU 17 5.691 -0.929 -1.525 97 HB2 GLU 17 1HB GLU 17 4.194 1.373 -0.284 98 HB3 GLU 17 2HB GLU 17 5.948 1.350 -0.394 99 HG2 GLU 17 1HG GLU 17 4.312 0.895 -2.844 100 HG3 GLU 17 2HG GLU 17 4.531 2.531 -2.225 101 H CYS 18 H CYS 18 3.652 -0.758 1.344 102 HA CYS 18 HA CYS 18 5.883 -1.875 2.905 103 HB2 CYS 18 1HB CYS 18 5.113 -0.584 4.861 104 HB3 CYS 18 2HB CYS 18 5.617 0.465 3.539 105 H GLY 19 H GLY 19 2.378 -1.514 2.578 106 HA2 GLY 19 1HA GLY 19 1.226 -3.761 2.631 107 HA3 GLY 19 2HA GLY 19 2.058 -3.987 4.162 108 H LYS 20 H LYS 20 0.658 -0.946 3.106 109 HA LYS 20 HA LYS 20 -1.104 -1.012 5.439 110 HB2 LYS 20 1HB LYS 20 0.490 0.942 4.799 111 HB3 LYS 20 2HB LYS 20 -0.754 1.357 3.627 112 HG2 LYS 20 1HG LYS 20 -1.417 2.648 5.377 113 HG3 LYS 20 2HG LYS 20 -2.323 1.176 5.736 114 HD2 LYS 20 1HD LYS 20 -0.312 0.493 7.154 115 HD3 LYS 20 2HD LYS 20 0.216 2.170 7.003 116 HE2 LYS 20 1HE LYS 20 -2.539 1.460 7.962 117 HE3 LYS 20 2HE LYS 20 -1.165 1.524 9.064 118 HZ1 LYS 20 3HZ LYS 20 -2.421 3.615 8.979 119 HZ2 LYS 20 1HZ LYS 20 -2.048 3.771 7.336 120 HZ3 LYS 20 2HZ LYS 20 -0.814 3.817 8.492 121 H ALA 21 H ALA 21 -3.327 -0.376 5.271 122 HA ALA 21 HA ALA 21 -4.509 -0.558 2.595 123 HB1 ALA 21 3HB ALA 21 -4.829 -2.499 4.778 124 HB2 ALA 21 1HB ALA 21 -6.328 -1.977 4.009 125 HB3 ALA 21 2HB ALA 21 -5.042 -2.697 3.039 126 H PHE 22 H PHE 22 -6.348 0.636 2.307 127 HA PHE 22 HA PHE 22 -7.516 1.961 4.648 128 HB2 PHE 22 1HB PHE 22 -6.673 3.394 2.119 129 HB3 PHE 22 2HB PHE 22 -7.526 4.121 3.477 130 HD1 PHE 22 HD1 PHE 22 -4.330 2.733 2.328 131 HD2 PHE 22 HD2 PHE 22 -6.379 4.712 5.490 132 HE1 PHE 22 HE1 PHE 22 -2.174 3.263 3.387 133 HE2 PHE 22 HE2 PHE 22 -4.226 5.247 6.554 134 HZ PHE 22 HZ PHE 22 -2.120 4.523 5.503 135 H HIS 23 H HIS 23 -9.688 2.269 4.548 136 HA HIS 23 HA HIS 23 -11.180 0.786 2.658 137 HB2 HIS 23 1HB HIS 23 -12.277 0.944 4.684 138 HB3 HIS 23 2HB HIS 23 -11.846 2.637 4.906 139 HD1 HIS 23 HD1 HIS 23 -14.160 0.534 2.749 140 HD2 HIS 23 HD2 HIS 23 -13.843 4.374 4.305 141 HE1 HIS 23 HE1 HIS 23 -16.315 1.683 2.148 142 H ARG 24 H ARG 24 -10.434 4.213 2.983 143 HA ARG 24 HA ARG 24 -11.921 4.756 0.507 144 HB2 ARG 24 1HB ARG 24 -11.149 6.417 2.862 145 HB3 ARG 24 2HB ARG 24 -11.311 7.210 1.301 146 HG2 ARG 24 1HG ARG 24 -13.606 6.355 1.122 147 HG3 ARG 24 2HG ARG 24 -13.437 5.614 2.715 148 HD2 ARG 24 1HD ARG 24 -13.387 7.665 3.802 149 HD3 ARG 24 2HD ARG 24 -12.918 8.537 2.343 150 HE ARG 24 HE ARG 24 -15.493 7.375 2.058 151 HH11 ARG 24 1HH1 ARG 24 -13.803 10.026 3.554 152 HH12 ARG 24 2HH1 ARG 24 -15.190 11.064 3.581 153 HH21 ARG 24 1HH2 ARG 24 -17.325 8.733 2.088 154 HH22 ARG 24 2HH2 ARG 24 -17.193 10.328 2.748 155 H HIS 25 H HIS 25 -10.938 5.708 -1.253 156 HA HIS 25 HA HIS 25 -8.249 5.088 -1.738 157 HB2 HIS 25 1HB HIS 25 -10.127 5.500 -3.432 158 HB3 HIS 25 2HB HIS 25 -9.777 7.214 -3.231 159 HD1 HIS 25 HD1 HIS 25 -8.480 7.954 -5.194 160 HD2 HIS 25 HD2 HIS 25 -7.293 4.190 -3.896 161 HE1 HIS 25 HE1 HIS 25 -6.558 7.306 -6.680 162 H THR 26 H THR 26 -9.790 8.211 -1.026 163 HA THR 26 HA THR 26 -7.700 9.939 -1.238 164 HB THR 26 HB THR 26 -8.701 11.196 0.720 165 HG1 THR 26 HG1 THR 26 -9.972 10.089 1.985 166 HG21 THR 26 3HG2 THR 26 -10.961 10.463 -1.057 167 HG22 THR 26 1HG2 THR 26 -9.499 11.078 -1.825 168 HG23 THR 26 2HG2 THR 26 -10.337 12.052 -0.617 169 H HIS 27 H HIS 27 -8.422 7.902 1.586 170 HA HIS 27 HA HIS 27 -6.336 8.768 3.225 171 HB2 HIS 27 1HB HIS 27 -7.922 6.230 3.055 172 HB3 HIS 27 2HB HIS 27 -6.554 6.333 4.159 173 HD1 HIS 27 HD1 HIS 27 -8.172 6.140 6.186 174 HD2 HIS 27 HD2 HIS 27 -8.787 9.490 3.806 175 HE1 HIS 27 HE1 HIS 27 -9.663 7.655 7.530 176 H LEU 28 H LEU 28 -6.431 5.955 1.039 177 HA LEU 28 HA LEU 28 -3.870 5.008 1.433 178 HB2 LEU 28 1HB LEU 28 -5.357 3.722 0.134 179 HB3 LEU 28 2HB LEU 28 -5.624 5.040 -1.005 180 HG LEU 28 HG LEU 28 -3.060 4.697 -1.495 181 HD11 LEU 28 1HD1 LEU 28 -3.518 2.638 0.340 182 HD12 LEU 28 2HD1 LEU 28 -2.091 2.883 -0.667 183 HD13 LEU 28 3HD1 LEU 28 -3.407 1.857 -1.238 184 HD21 LEU 28 3HD2 LEU 28 -5.506 3.492 -2.557 185 HD22 LEU 28 1HD2 LEU 28 -4.029 2.630 -2.987 186 HD23 LEU 28 2HD2 LEU 28 -4.200 4.338 -3.389 187 H ASN 29 H ASN 29 -4.928 7.365 -1.023 188 HA ASN 29 HA ASN 29 -2.433 7.877 -2.147 189 HB2 ASN 29 1HB ASN 29 -4.865 8.687 -2.787 190 HB3 ASN 29 2HB ASN 29 -4.403 10.108 -1.855 191 HD21 ASN 29 1HD2 ASN 29 -4.788 9.330 -4.828 192 HD22 ASN 29 2HD2 ASN 29 -3.428 10.070 -5.595 193 H GLU 30 H GLU 30 -4.067 9.506 0.553 194 HA GLU 30 HA GLU 30 -2.123 11.461 1.033 195 HB2 GLU 30 1HB GLU 30 -4.287 10.203 2.657 196 HB3 GLU 30 2HB GLU 30 -3.089 11.188 3.485 197 HG2 GLU 30 1HG GLU 30 -3.636 13.086 2.088 198 HG3 GLU 30 2HG GLU 30 -4.779 12.107 1.171 199 H HIS 31 H HIS 31 -2.038 8.094 1.541 200 HA HIS 31 HA HIS 31 0.021 8.229 3.595 201 HB2 HIS 31 1HB HIS 31 -1.437 6.446 4.002 202 HB3 HIS 31 2HB HIS 31 -1.516 5.997 2.301 203 HD1 HIS 31 HD1 HIS 31 0.714 5.707 5.318 204 HD2 HIS 31 HD2 HIS 31 0.404 4.192 1.462 205 HE1 HIS 31 HE1 HIS 31 2.388 3.835 5.195 206 H ARG 32 H ARG 32 -0.326 6.986 0.277 207 HA ARG 32 HA ARG 32 2.157 6.018 -0.231 208 HB2 ARG 32 1HB ARG 32 0.400 7.699 -2.020 209 HB3 ARG 32 2HB ARG 32 1.851 6.886 -2.590 210 HG2 ARG 32 1HG ARG 32 0.768 4.752 -1.642 211 HG3 ARG 32 2HG ARG 32 -0.723 5.695 -1.643 212 HD2 ARG 32 1HD ARG 32 -0.718 4.576 -3.704 213 HD3 ARG 32 2HD ARG 32 -0.196 6.218 -4.079 214 HE ARG 32 HE ARG 32 1.789 5.359 -4.795 215 HH11 ARG 32 1HH1 ARG 32 0.273 3.039 -2.689 216 HH12 ARG 32 2HH1 ARG 32 1.469 1.816 -2.960 217 HH21 ARG 32 1HH2 ARG 32 3.371 3.757 -5.160 218 HH22 ARG 32 2HH2 ARG 32 3.232 2.226 -4.365 219 H ARG 33 H ARG 33 1.329 9.299 0.422 220 HA ARG 33 HA ARG 33 3.318 10.754 -0.791 221 HB2 ARG 33 1HB ARG 33 1.896 11.044 1.827 222 HB3 ARG 33 2HB ARG 33 3.215 12.138 1.435 223 HG2 ARG 33 1HG ARG 33 1.860 12.411 -0.811 224 HG3 ARG 33 2HG ARG 33 0.520 11.897 0.217 225 HD2 ARG 33 1HD ARG 33 0.711 13.751 1.605 226 HD3 ARG 33 2HD ARG 33 2.372 14.071 1.110 227 HE ARG 33 HE ARG 33 1.550 15.382 -0.560 228 HH11 ARG 33 1HH1 ARG 33 -0.941 13.158 0.423 229 HH12 ARG 33 2HH1 ARG 33 -2.147 13.847 -0.612 230 HH21 ARG 33 1HH2 ARG 33 -0.029 16.298 -1.928 231 HH22 ARG 33 2HH2 ARG 33 -1.627 15.633 -1.950 232 H ILE 34 H ILE 34 3.508 9.017 2.302 233 HA ILE 34 HA ILE 34 6.159 9.731 2.918 234 HB ILE 34 HB ILE 34 6.148 7.921 4.513 235 HG12 ILE 34 1HG1 ILE 34 3.474 6.950 3.613 236 HG13 ILE 34 2HG1 ILE 34 4.894 6.415 2.721 237 HG21 ILE 34 1HG2 ILE 34 4.907 9.316 5.718 238 HG22 ILE 34 2HG2 ILE 34 4.027 9.856 4.289 239 HG23 ILE 34 3HG2 ILE 34 3.485 8.428 5.171 240 HD11 ILE 34 3HD1 ILE 34 5.633 5.116 4.414 241 HD12 ILE 34 1HD1 ILE 34 5.003 6.189 5.664 242 HD13 ILE 34 2HD1 ILE 34 3.914 5.096 4.808 243 H HIS 35 H HIS 35 4.885 7.563 0.604 244 HA HIS 35 HA HIS 35 7.359 6.031 0.398 245 HB2 HIS 35 1HB HIS 35 4.654 5.801 -0.903 246 HB3 HIS 35 2HB HIS 35 6.041 4.897 -1.504 247 HD1 HIS 35 HD1 HIS 35 7.321 3.882 1.018 248 HD2 HIS 35 HD2 HIS 35 3.203 3.982 0.472 249 HE1 HIS 35 HE1 HIS 35 6.390 2.169 2.607 250 H THR 36 H THR 36 5.709 8.662 -1.118 251 HA THR 36 HA THR 36 7.709 8.679 -3.284 252 HB THR 36 HB THR 36 5.226 8.528 -3.901 253 HG1 THR 36 HG1 THR 36 5.851 9.398 -5.737 254 HG21 THR 36 3HG2 THR 36 3.824 10.325 -3.633 255 HG22 THR 36 1HG2 THR 36 5.148 11.487 -3.555 256 HG23 THR 36 2HG2 THR 36 4.786 10.466 -2.163 257 H GLY 37 H GLY 37 9.194 10.231 -3.216 258 HA2 GLY 37 1HA GLY 37 10.110 12.341 -2.920 259 HA3 GLY 37 2HA GLY 37 8.552 12.898 -2.327 260 H TYR 38 H TYR 38 10.415 10.180 -1.070 261 HA TYR 38 HA TYR 38 10.166 11.116 1.605 262 HB2 TYR 38 1HB TYR 38 11.130 9.108 2.247 263 HB3 TYR 38 2HB TYR 38 10.439 8.683 0.686 264 HD1 TYR 38 HD2 TYR 38 11.910 8.441 -1.293 265 HD2 TYR 38 HD1 TYR 38 13.494 9.100 2.601 266 HE1 TYR 38 HE2 TYR 38 14.119 7.690 -2.071 267 HE2 TYR 38 HE1 TYR 38 15.708 8.352 1.833 268 HH TYR 38 HH TYR 38 16.960 8.144 -0.251 269 H ARG 39 H ARG 39 11.931 11.583 3.069 270 HA ARG 39 HA ARG 39 14.322 12.685 1.761 271 HB2 ARG 39 1HB ARG 39 14.149 14.526 3.585 272 HB3 ARG 39 2HB ARG 39 13.158 14.658 2.138 273 HG2 ARG 39 1HG ARG 39 12.056 13.323 4.568 274 HG3 ARG 39 2HG ARG 39 12.114 15.084 4.476 275 HD2 ARG 39 1HD ARG 39 11.000 13.590 2.160 276 HD3 ARG 39 2HD ARG 39 10.021 13.707 3.622 277 HE ARG 39 HE ARG 39 11.015 16.253 2.892 278 HH11 ARG 39 1HH1 ARG 39 8.653 13.867 1.971 279 HH12 ARG 39 2HH1 ARG 39 7.571 15.021 1.265 280 HH21 ARG 39 1HH2 ARG 39 9.599 17.782 1.965 281 HH22 ARG 39 2HH2 ARG 39 8.111 17.248 1.260 282 HA PRO 40 HA PRO 40 16.563 10.525 4.865 283 HB2 PRO 40 1HB PRO 40 18.822 12.028 4.943 284 HB3 PRO 40 2HB PRO 40 18.437 10.941 3.603 285 HG2 PRO 40 1HG PRO 40 18.073 13.906 3.802 286 HG3 PRO 40 2HG PRO 40 18.683 12.942 2.444 287 HD2 PRO 40 1HD PRO 40 16.143 13.876 2.543 288 HD3 PRO 40 2HD PRO 40 16.566 12.342 1.756 289 H SER 41 H SER 41 16.021 13.974 5.191 290 HA SER 41 HA SER 41 15.435 13.761 7.960 291 HB2 SER 41 1HB SER 41 18.156 14.696 7.155 292 HB3 SER 41 2HB SER 41 17.360 15.500 8.507 293 HG SER 41 HG SER 41 17.655 13.784 9.693 294 H GLY 42 H GLY 42 13.935 15.248 8.344 295 HA2 GLY 42 1HA GLY 42 12.948 17.068 6.569 296 HA3 GLY 42 2HA GLY 42 12.809 17.260 8.311 297 HA PRO 43 HA PRO 43 15.856 20.347 6.184 298 HB2 PRO 43 1HB PRO 43 14.176 22.288 5.302 299 HB3 PRO 43 2HB PRO 43 14.704 20.941 4.287 300 HG2 PRO 43 1HG PRO 43 12.140 21.286 5.794 301 HG3 PRO 43 2HG PRO 43 12.398 20.672 4.150 302 HD2 PRO 43 1HD PRO 43 11.974 19.036 6.266 303 HD3 PRO 43 2HD PRO 43 12.999 18.574 4.893 304 H SER 44 H SER 44 13.283 20.331 8.400 305 HA SER 44 HA SER 44 14.290 22.786 9.681 306 HB2 SER 44 1HB SER 44 11.946 22.987 8.973 307 HB3 SER 44 2HB SER 44 11.537 21.544 9.901 308 HG SER 44 HG SER 44 12.822 23.628 11.238 309 H SER 45 H SER 45 15.945 21.565 10.732 310 HA SER 45 HA SER 45 16.843 20.156 12.311 311 HB2 SER 45 1HB SER 45 15.923 22.197 13.539 312 HB3 SER 45 2HB SER 45 14.571 21.172 14.019 313 HG SER 45 HG SER 45 15.844 20.592 15.583 314 H GLY 46 H GLY 46 15.205 18.691 10.632 315 HA2 GLY 46 1HA GLY 46 13.249 17.163 12.015 316 HA3 GLY 46 2HA GLY 46 14.001 16.737 10.485 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.328 -25.384 9.982 2 HA2 GLY 1 1HA GLY 1 4.146 -22.663 10.389 3 HA3 GLY 1 2HA GLY 1 3.569 -22.953 8.754 4 H SER 2 H SER 2 2.697 -22.321 11.976 5 HA SER 2 HA SER 2 0.040 -23.324 11.939 6 HB2 SER 2 1HB SER 2 1.496 -21.322 13.649 7 HB3 SER 2 2HB SER 2 -0.237 -21.585 13.842 8 HG SER 2 HG SER 2 1.528 -22.937 15.035 9 H SER 3 H SER 3 -1.852 -21.745 12.282 10 HA SER 3 HA SER 3 -1.693 -19.282 10.777 11 HB2 SER 3 1HB SER 3 -3.134 -19.851 9.002 12 HB3 SER 3 2HB SER 3 -2.029 -21.221 9.111 13 HG SER 3 HG SER 3 -4.707 -21.165 9.414 14 H GLY 4 H GLY 4 -3.848 -18.164 10.719 15 HA2 GLY 4 1HA GLY 4 -5.511 -18.964 13.025 16 HA3 GLY 4 2HA GLY 4 -4.986 -17.301 12.807 17 H SER 5 H SER 5 -7.697 -18.413 12.957 18 HA SER 5 HA SER 5 -8.697 -17.891 10.249 19 HB2 SER 5 1HB SER 5 -9.984 -19.149 12.676 20 HB3 SER 5 2HB SER 5 -10.881 -18.747 11.212 21 HG SER 5 HG SER 5 -8.881 -20.679 11.605 22 H SER 6 H SER 6 -7.730 -15.668 11.549 23 HA SER 6 HA SER 6 -10.184 -14.230 12.321 24 HB2 SER 6 1HB SER 6 -8.689 -14.248 14.195 25 HB3 SER 6 2HB SER 6 -7.319 -13.792 13.182 26 HG SER 6 HG SER 6 -9.550 -12.215 13.923 27 H GLY 7 H GLY 7 -10.865 -12.734 10.941 28 HA2 GLY 7 1HA GLY 7 -9.163 -10.887 9.636 29 HA3 GLY 7 2HA GLY 7 -9.627 -12.157 8.513 30 H SER 8 H SER 8 -10.466 -9.182 9.780 31 HA SER 8 HA SER 8 -13.311 -9.386 9.627 32 HB2 SER 8 1HB SER 8 -12.066 -7.678 10.990 33 HB3 SER 8 2HB SER 8 -11.636 -6.871 9.482 34 HG SER 8 HG SER 8 -13.511 -5.954 9.564 35 H GLY 9 H GLY 9 -10.840 -7.933 7.510 36 HA2 GLY 9 1HA GLY 9 -11.796 -8.757 5.092 37 HA3 GLY 9 2HA GLY 9 -12.758 -7.331 5.452 38 H GLU 10 H GLU 10 -10.946 -7.640 3.260 39 HA GLU 10 HA GLU 10 -8.920 -5.622 3.973 40 HB2 GLU 10 1HB GLU 10 -7.781 -7.643 3.390 41 HB3 GLU 10 2HB GLU 10 -8.787 -7.871 1.966 42 HG2 GLU 10 1HG GLU 10 -7.802 -5.748 1.057 43 HG3 GLU 10 2HG GLU 10 -6.662 -5.793 2.401 44 H LYS 11 H LYS 11 -9.156 -3.709 3.037 45 HA LYS 11 HA LYS 11 -11.218 -3.231 1.124 46 HB2 LYS 11 1HB LYS 11 -8.999 -1.396 2.051 47 HB3 LYS 11 2HB LYS 11 -10.446 -0.905 1.181 48 HG2 LYS 11 1HG LYS 11 -10.795 -2.371 3.737 49 HG3 LYS 11 2HG LYS 11 -10.247 -0.694 3.805 50 HD2 LYS 11 1HD LYS 11 -12.493 -0.326 3.827 51 HD3 LYS 11 2HD LYS 11 -12.250 -0.384 2.080 52 HE2 LYS 11 1HE LYS 11 -13.985 -1.848 2.252 53 HE3 LYS 11 2HE LYS 11 -12.648 -2.973 2.488 54 HZ1 LYS 11 3HZ LYS 11 -14.292 -1.717 4.618 55 HZ2 LYS 11 1HZ LYS 11 -12.944 -2.699 4.899 56 HZ3 LYS 11 2HZ LYS 11 -14.318 -3.343 4.152 57 HA PRO 12 HA PRO 12 -9.074 -3.717 -2.677 58 HB2 PRO 12 1HB PRO 12 -10.293 -1.828 -4.200 59 HB3 PRO 12 2HB PRO 12 -11.086 -3.332 -3.718 60 HG2 PRO 12 1HG PRO 12 -11.329 -0.597 -2.526 61 HG3 PRO 12 2HG PRO 12 -12.600 -1.785 -2.868 62 HD2 PRO 12 1HD PRO 12 -11.578 -1.418 -0.388 63 HD3 PRO 12 2HD PRO 12 -12.156 -2.997 -0.958 64 H TYR 13 H TYR 13 -8.708 -1.002 -0.756 65 HA TYR 13 HA TYR 13 -6.740 0.195 -2.590 66 HB2 TYR 13 1HB TYR 13 -8.065 1.466 -0.187 67 HB3 TYR 13 2HB TYR 13 -6.984 2.261 -1.326 68 HD1 TYR 13 HD1 TYR 13 -7.788 2.072 -3.866 69 HD2 TYR 13 HD2 TYR 13 -10.331 1.782 -0.467 70 HE1 TYR 13 HE1 TYR 13 -9.714 2.702 -5.261 71 HE2 TYR 13 HE2 TYR 13 -12.264 2.410 -1.853 72 HH TYR 13 HH TYR 13 -12.110 3.870 -4.669 73 H LYS 14 H LYS 14 -5.327 -1.609 -1.880 74 HA LYS 14 HA LYS 14 -4.150 -1.139 0.775 75 HB2 LYS 14 1HB LYS 14 -4.944 -3.422 0.408 76 HB3 LYS 14 2HB LYS 14 -3.955 -3.550 -1.041 77 HG2 LYS 14 1HG LYS 14 -1.938 -3.267 0.358 78 HG3 LYS 14 2HG LYS 14 -2.970 -3.261 1.790 79 HD2 LYS 14 1HD LYS 14 -3.514 -5.499 1.566 80 HD3 LYS 14 2HD LYS 14 -3.146 -5.521 -0.160 81 HE2 LYS 14 1HE LYS 14 -0.848 -5.631 0.210 82 HE3 LYS 14 2HE LYS 14 -0.991 -5.041 1.865 83 HZ1 LYS 14 3HZ LYS 14 -2.453 -7.366 1.792 84 HZ2 LYS 14 1HZ LYS 14 -0.926 -7.153 2.491 85 HZ3 LYS 14 2HZ LYS 14 -1.058 -7.714 0.900 86 H CYS 15 H CYS 15 -2.016 -0.645 1.004 87 HA CYS 15 HA CYS 15 -0.664 0.401 -1.308 88 HB2 CYS 15 1HB CYS 15 -0.472 1.634 0.745 89 HB3 CYS 15 2HB CYS 15 0.120 0.215 1.603 90 H SER 16 H SER 16 1.467 -0.197 -1.988 91 HA SER 16 HA SER 16 2.019 -3.058 -1.562 92 HB2 SER 16 1HB SER 16 2.640 -1.276 -3.927 93 HB3 SER 16 2HB SER 16 3.197 -2.942 -3.770 94 HG SER 16 HG SER 16 1.275 -3.623 -4.288 95 H GLU 17 H GLU 17 3.350 0.156 -1.477 96 HA GLU 17 HA GLU 17 6.080 -0.429 -1.405 97 HB2 GLU 17 1HB GLU 17 4.449 1.805 -0.221 98 HB3 GLU 17 2HB GLU 17 6.192 1.729 -0.008 99 HG2 GLU 17 1HG GLU 17 5.105 1.503 -2.761 100 HG3 GLU 17 2HG GLU 17 5.088 3.082 -1.979 101 H CYS 18 H CYS 18 3.769 -0.091 1.279 102 HA CYS 18 HA CYS 18 5.720 -1.447 3.021 103 HB2 CYS 18 1HB CYS 18 4.541 -0.386 4.914 104 HB3 CYS 18 2HB CYS 18 5.197 0.803 3.794 105 H GLY 19 H GLY 19 2.242 -1.161 2.326 106 HA2 GLY 19 1HA GLY 19 1.077 -3.310 1.925 107 HA3 GLY 19 2HA GLY 19 1.934 -3.925 3.330 108 H LYS 20 H LYS 20 0.616 -0.697 3.257 109 HA LYS 20 HA LYS 20 -1.208 -1.447 5.419 110 HB2 LYS 20 1HB LYS 20 0.496 0.535 5.465 111 HB3 LYS 20 2HB LYS 20 -0.730 1.374 4.523 112 HG2 LYS 20 1HG LYS 20 -2.339 1.119 6.285 113 HG3 LYS 20 2HG LYS 20 -1.224 0.109 7.209 114 HD2 LYS 20 1HD LYS 20 0.312 1.996 7.428 115 HD3 LYS 20 2HD LYS 20 -0.783 3.005 6.480 116 HE2 LYS 20 1HE LYS 20 -2.424 2.988 8.168 117 HE3 LYS 20 2HE LYS 20 -1.655 1.645 9.013 118 HZ1 LYS 20 3HZ LYS 20 -1.164 3.597 10.221 119 HZ2 LYS 20 1HZ LYS 20 -0.705 4.446 8.831 120 HZ3 LYS 20 2HZ LYS 20 0.261 3.183 9.408 121 H ALA 21 H ALA 21 -3.373 -1.380 5.238 122 HA ALA 21 HA ALA 21 -4.480 -0.514 2.650 123 HB1 ALA 21 3HB ALA 21 -5.396 -2.614 4.597 124 HB2 ALA 21 1HB ALA 21 -6.414 -2.017 3.286 125 HB3 ALA 21 2HB ALA 21 -4.888 -2.823 2.922 126 H PHE 22 H PHE 22 -6.331 0.756 2.583 127 HA PHE 22 HA PHE 22 -7.172 1.930 5.151 128 HB2 PHE 22 1HB PHE 22 -6.805 3.368 2.514 129 HB3 PHE 22 2HB PHE 22 -7.453 4.091 3.982 130 HD1 PHE 22 HD1 PHE 22 -4.432 2.491 2.552 131 HD2 PHE 22 HD2 PHE 22 -6.032 4.997 5.598 132 HE1 PHE 22 HE1 PHE 22 -2.151 3.080 3.261 133 HE2 PHE 22 HE2 PHE 22 -3.754 5.591 6.311 134 HZ PHE 22 HZ PHE 22 -1.809 4.633 5.143 135 H HIS 23 H HIS 23 -9.306 3.213 4.804 136 HA HIS 23 HA HIS 23 -11.218 1.326 3.739 137 HB2 HIS 23 1HB HIS 23 -11.881 4.014 4.922 138 HB3 HIS 23 2HB HIS 23 -12.872 2.558 4.889 139 HD1 HIS 23 HD1 HIS 23 -11.835 0.516 6.410 140 HD2 HIS 23 HD2 HIS 23 -10.552 4.377 7.253 141 HE1 HIS 23 HE1 HIS 23 -10.868 0.412 8.729 142 H ARG 24 H ARG 24 -10.577 4.803 3.261 143 HA ARG 24 HA ARG 24 -11.950 4.624 0.669 144 HB2 ARG 24 1HB ARG 24 -11.247 7.051 2.329 145 HB3 ARG 24 2HB ARG 24 -12.088 7.086 0.785 146 HG2 ARG 24 1HG ARG 24 -13.920 5.777 1.779 147 HG3 ARG 24 2HG ARG 24 -13.083 5.827 3.332 148 HD2 ARG 24 1HD ARG 24 -14.780 7.539 3.282 149 HD3 ARG 24 2HD ARG 24 -13.187 8.294 3.269 150 HE ARG 24 HE ARG 24 -13.690 9.193 1.234 151 HH11 ARG 24 1HH1 ARG 24 -15.819 6.502 1.821 152 HH12 ARG 24 2HH1 ARG 24 -16.774 6.781 0.402 153 HH21 ARG 24 1HH2 ARG 24 -14.940 9.571 -0.636 154 HH22 ARG 24 2HH2 ARG 24 -16.273 8.526 -0.995 155 H HIS 25 H HIS 25 -10.924 5.101 -1.212 156 HA HIS 25 HA HIS 25 -8.256 4.697 -1.569 157 HB2 HIS 25 1HB HIS 25 -9.801 4.767 -3.440 158 HB3 HIS 25 2HB HIS 25 -10.066 6.491 -3.198 159 HD1 HIS 25 HD1 HIS 25 -8.318 8.098 -4.137 160 HD2 HIS 25 HD2 HIS 25 -7.324 4.094 -4.633 161 HE1 HIS 25 HE1 HIS 25 -6.363 8.082 -5.719 162 H THR 26 H THR 26 -9.774 7.925 -1.467 163 HA THR 26 HA THR 26 -7.686 9.592 -1.672 164 HB THR 26 HB THR 26 -9.728 9.891 0.536 165 HG1 THR 26 HG1 THR 26 -10.820 9.547 -1.398 166 HG21 THR 26 3HG2 THR 26 -8.878 12.251 -0.958 167 HG22 THR 26 1HG2 THR 26 -7.564 11.478 -0.072 168 HG23 THR 26 2HG2 THR 26 -9.015 12.003 0.783 169 H HIS 27 H HIS 27 -8.608 8.027 1.395 170 HA HIS 27 HA HIS 27 -6.593 9.028 3.003 171 HB2 HIS 27 1HB HIS 27 -8.079 6.412 3.043 172 HB3 HIS 27 2HB HIS 27 -6.862 6.791 4.257 173 HD1 HIS 27 HD1 HIS 27 -8.773 6.729 6.055 174 HD2 HIS 27 HD2 HIS 27 -9.143 9.728 3.204 175 HE1 HIS 27 HE1 HIS 27 -10.482 8.327 6.977 176 H LEU 28 H LEU 28 -6.552 6.068 1.033 177 HA LEU 28 HA LEU 28 -3.989 5.200 1.708 178 HB2 LEU 28 1HB LEU 28 -5.417 3.713 0.556 179 HB3 LEU 28 2HB LEU 28 -5.650 4.849 -0.771 180 HG LEU 28 HG LEU 28 -3.174 4.509 -1.279 181 HD11 LEU 28 1HD1 LEU 28 -3.640 2.313 0.713 182 HD12 LEU 28 2HD1 LEU 28 -2.339 3.502 0.666 183 HD13 LEU 28 3HD1 LEU 28 -2.392 2.206 -0.528 184 HD21 LEU 28 3HD2 LEU 28 -3.624 2.641 -2.662 185 HD22 LEU 28 1HD2 LEU 28 -5.139 3.533 -2.523 186 HD23 LEU 28 2HD2 LEU 28 -4.895 2.059 -1.586 187 H ASN 29 H ASN 29 -5.018 7.172 -1.076 188 HA ASN 29 HA ASN 29 -2.605 7.576 -2.309 189 HB2 ASN 29 1HB ASN 29 -4.971 8.454 -2.917 190 HB3 ASN 29 2HB ASN 29 -4.523 9.866 -1.965 191 HD21 ASN 29 1HD2 ASN 29 -4.977 9.283 -4.915 192 HD22 ASN 29 2HD2 ASN 29 -3.605 9.993 -5.689 193 H GLU 30 H GLU 30 -4.001 9.678 0.214 194 HA GLU 30 HA GLU 30 -1.878 11.429 0.498 195 HB2 GLU 30 1HB GLU 30 -3.874 10.420 2.521 196 HB3 GLU 30 2HB GLU 30 -2.712 11.688 2.886 197 HG2 GLU 30 1HG GLU 30 -3.652 13.111 1.196 198 HG3 GLU 30 2HG GLU 30 -4.731 11.824 0.660 199 H HIS 31 H HIS 31 -2.310 8.211 1.834 200 HA HIS 31 HA HIS 31 -0.117 8.307 3.635 201 HB2 HIS 31 1HB HIS 31 -1.559 6.599 4.187 202 HB3 HIS 31 2HB HIS 31 -1.860 6.165 2.507 203 HD1 HIS 31 HD1 HIS 31 0.283 5.366 5.405 204 HD2 HIS 31 HD2 HIS 31 0.144 4.489 1.347 205 HE1 HIS 31 HE1 HIS 31 1.846 3.422 5.083 206 H ARG 32 H ARG 32 -0.491 6.975 0.360 207 HA ARG 32 HA ARG 32 1.919 5.805 -0.071 208 HB2 ARG 32 1HB ARG 32 0.397 7.599 -1.969 209 HB3 ARG 32 2HB ARG 32 1.722 6.547 -2.450 210 HG2 ARG 32 1HG ARG 32 0.367 4.628 -1.522 211 HG3 ARG 32 2HG ARG 32 -0.981 5.760 -1.408 212 HD2 ARG 32 1HD ARG 32 -0.303 6.237 -3.926 213 HD3 ARG 32 2HD ARG 32 0.337 4.598 -3.804 214 HE ARG 32 HE ARG 32 -2.132 4.273 -2.846 215 HH11 ARG 32 1HH1 ARG 32 -0.975 5.935 -5.678 216 HH12 ARG 32 2HH1 ARG 32 -2.415 5.644 -6.597 217 HH21 ARG 32 1HH2 ARG 32 -4.033 3.883 -4.046 218 HH22 ARG 32 2HH2 ARG 32 -4.154 4.477 -5.667 219 H ARG 33 H ARG 33 1.335 9.155 0.483 220 HA ARG 33 HA ARG 33 3.466 10.408 -0.728 221 HB2 ARG 33 1HB ARG 33 2.124 10.921 1.920 222 HB3 ARG 33 2HB ARG 33 3.393 11.968 1.300 223 HG2 ARG 33 1HG ARG 33 1.860 12.025 -0.831 224 HG3 ARG 33 2HG ARG 33 0.610 11.580 0.333 225 HD2 ARG 33 1HD ARG 33 1.096 13.529 1.666 226 HD3 ARG 33 2HD ARG 33 2.466 13.937 0.634 227 HE ARG 33 HE ARG 33 -0.066 13.794 -0.739 228 HH11 ARG 33 1HH1 ARG 33 2.160 15.814 1.017 229 HH12 ARG 33 2HH1 ARG 33 1.562 17.290 0.335 230 HH21 ARG 33 1HH2 ARG 33 -0.861 15.731 -1.645 231 HH22 ARG 33 2HH2 ARG 33 -0.157 17.242 -1.179 232 H ILE 34 H ILE 34 3.421 8.837 2.463 233 HA ILE 34 HA ILE 34 5.937 9.356 3.371 234 HB ILE 34 HB ILE 34 5.871 7.316 4.629 235 HG12 ILE 34 1HG1 ILE 34 3.529 6.359 2.997 236 HG13 ILE 34 2HG1 ILE 34 5.183 5.946 2.560 237 HG21 ILE 34 1HG2 ILE 34 2.967 7.947 4.422 238 HG22 ILE 34 2HG2 ILE 34 3.975 7.728 5.852 239 HG23 ILE 34 3HG2 ILE 34 4.088 9.217 4.914 240 HD11 ILE 34 3HD1 ILE 34 5.219 4.315 4.049 241 HD12 ILE 34 1HD1 ILE 34 4.735 5.414 5.340 242 HD13 ILE 34 2HD1 ILE 34 3.509 4.619 4.353 243 H HIS 35 H HIS 35 5.072 7.450 0.630 244 HA HIS 35 HA HIS 35 7.763 6.314 0.430 245 HB2 HIS 35 1HB HIS 35 5.378 5.812 -1.358 246 HB3 HIS 35 2HB HIS 35 6.878 4.891 -1.312 247 HD1 HIS 35 HD1 HIS 35 7.284 4.010 1.412 248 HD2 HIS 35 HD2 HIS 35 3.441 4.422 -0.113 249 HE1 HIS 35 HE1 HIS 35 5.825 2.567 2.866 250 H THR 36 H THR 36 5.708 8.735 -0.948 251 HA THR 36 HA THR 36 7.785 9.339 -2.952 252 HB THR 36 HB THR 36 5.791 8.719 -4.127 253 HG1 THR 36 HG1 THR 36 6.069 11.556 -4.020 254 HG21 THR 36 3HG2 THR 36 3.632 9.584 -3.712 255 HG22 THR 36 1HG2 THR 36 4.256 10.851 -2.657 256 HG23 THR 36 2HG2 THR 36 4.282 9.169 -2.127 257 H GLY 37 H GLY 37 8.782 10.542 -1.131 258 HA2 GLY 37 1HA GLY 37 7.416 13.079 -0.537 259 HA3 GLY 37 2HA GLY 37 8.748 12.398 0.385 260 H TYR 38 H TYR 38 10.593 11.844 -1.553 261 HA TYR 38 HA TYR 38 10.990 14.270 -3.116 262 HB2 TYR 38 1HB TYR 38 12.008 14.842 -0.983 263 HB3 TYR 38 2HB TYR 38 12.934 13.345 -0.991 264 HD1 TYR 38 HD2 TYR 38 14.812 13.058 -2.567 265 HD2 TYR 38 HD1 TYR 38 12.711 16.745 -2.258 266 HE1 TYR 38 HE2 TYR 38 16.652 14.198 -3.735 267 HE2 TYR 38 HE1 TYR 38 14.544 17.895 -3.427 268 HH TYR 38 HH TYR 38 17.437 16.126 -4.494 269 H ARG 39 H ARG 39 11.925 13.849 -5.018 270 HA ARG 39 HA ARG 39 13.460 11.359 -5.315 271 HB2 ARG 39 1HB ARG 39 11.318 12.369 -7.196 272 HB3 ARG 39 2HB ARG 39 12.390 11.015 -7.528 273 HG2 ARG 39 1HG ARG 39 11.468 9.903 -5.481 274 HG3 ARG 39 2HG ARG 39 10.273 11.199 -5.402 275 HD2 ARG 39 1HD ARG 39 9.621 10.600 -7.753 276 HD3 ARG 39 2HD ARG 39 10.662 9.185 -7.607 277 HE ARG 39 HE ARG 39 9.022 9.004 -5.452 278 HH11 ARG 39 1HH1 ARG 39 8.495 9.360 -8.875 279 HH12 ARG 39 2HH1 ARG 39 6.985 8.512 -8.863 280 HH21 ARG 39 1HH2 ARG 39 7.034 7.885 -5.423 281 HH22 ARG 39 2HH2 ARG 39 6.154 7.674 -6.899 282 HA PRO 40 HA PRO 40 16.446 13.844 -7.366 283 HB2 PRO 40 1HB PRO 40 17.581 11.994 -8.999 284 HB3 PRO 40 2HB PRO 40 17.843 12.023 -7.251 285 HG2 PRO 40 1HG PRO 40 15.975 10.323 -8.858 286 HG3 PRO 40 2HG PRO 40 17.021 9.862 -7.502 287 HD2 PRO 40 1HD PRO 40 14.367 10.315 -7.208 288 HD3 PRO 40 2HD PRO 40 15.544 10.668 -5.926 289 H SER 41 H SER 41 17.045 14.736 -9.423 290 HA SER 41 HA SER 41 14.812 15.047 -11.189 291 HB2 SER 41 1HB SER 41 16.283 16.939 -10.713 292 HB3 SER 41 2HB SER 41 17.655 16.071 -11.403 293 HG SER 41 HG SER 41 15.391 17.133 -12.709 294 H GLY 42 H GLY 42 18.182 14.077 -11.877 295 HA2 GLY 42 1HA GLY 42 18.181 11.736 -12.982 296 HA3 GLY 42 2HA GLY 42 17.176 12.544 -14.175 297 HA PRO 43 HA PRO 43 21.912 13.237 -14.754 298 HB2 PRO 43 1HB PRO 43 22.598 11.070 -16.238 299 HB3 PRO 43 2HB PRO 43 22.729 11.108 -14.475 300 HG2 PRO 43 1HG PRO 43 20.582 9.919 -16.190 301 HG3 PRO 43 2HG PRO 43 21.354 9.251 -14.740 302 HD2 PRO 43 1HD PRO 43 18.920 10.437 -14.681 303 HD3 PRO 43 2HD PRO 43 20.051 10.510 -13.314 304 H SER 44 H SER 44 19.190 12.315 -16.650 305 HA SER 44 HA SER 44 20.394 13.274 -19.132 306 HB2 SER 44 1HB SER 44 19.036 11.196 -19.167 307 HB3 SER 44 2HB SER 44 17.631 12.129 -18.651 308 HG SER 44 HG SER 44 19.110 12.515 -21.045 309 H SER 45 H SER 45 20.113 15.272 -19.862 310 HA SER 45 HA SER 45 19.265 17.362 -20.193 311 HB2 SER 45 1HB SER 45 17.061 15.942 -20.304 312 HB3 SER 45 2HB SER 45 16.740 16.669 -18.730 313 HG SER 45 HG SER 45 17.054 18.728 -19.762 314 H GLY 46 H GLY 46 20.940 16.991 -18.069 315 HA2 GLY 46 1HA GLY 46 21.695 18.188 -16.252 316 HA3 GLY 46 2HA GLY 46 20.291 19.230 -16.427 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.827 -31.443 -2.400 2 HA2 GLY 1 1HA GLY 1 -3.233 -31.986 -1.029 3 HA3 GLY 1 2HA GLY 1 -2.073 -31.299 0.099 4 H SER 2 H SER 2 -4.407 -29.980 -0.381 5 HA SER 2 HA SER 2 -3.504 -27.424 -1.168 6 HB2 SER 2 1HB SER 2 -5.045 -27.151 -3.151 7 HB3 SER 2 2HB SER 2 -3.647 -28.189 -3.436 8 HG SER 2 HG SER 2 -6.267 -28.786 -3.604 9 H SER 3 H SER 3 -4.577 -26.158 0.179 10 HA SER 3 HA SER 3 -7.424 -26.724 0.685 11 HB2 SER 3 1HB SER 3 -6.083 -27.340 2.649 12 HB3 SER 3 2HB SER 3 -5.382 -25.722 2.686 13 HG SER 3 HG SER 3 -7.787 -25.117 2.767 14 H GLY 4 H GLY 4 -8.764 -24.907 1.114 15 HA2 GLY 4 1HA GLY 4 -7.991 -22.571 -0.387 16 HA3 GLY 4 2HA GLY 4 -9.545 -22.851 0.384 17 H SER 5 H SER 5 -9.641 -20.762 1.226 18 HA SER 5 HA SER 5 -8.131 -20.416 3.685 19 HB2 SER 5 1HB SER 5 -6.786 -19.292 1.893 20 HB3 SER 5 2HB SER 5 -8.160 -18.229 1.593 21 HG SER 5 HG SER 5 -7.080 -18.491 4.181 22 H SER 6 H SER 6 -8.957 -18.519 4.948 23 HA SER 6 HA SER 6 -11.840 -18.165 4.449 24 HB2 SER 6 1HB SER 6 -12.222 -18.143 6.802 25 HB3 SER 6 2HB SER 6 -11.160 -19.516 6.492 26 HG SER 6 HG SER 6 -9.421 -17.880 6.972 27 H GLY 7 H GLY 7 -12.723 -16.154 5.590 28 HA2 GLY 7 1HA GLY 7 -12.300 -13.905 6.345 29 HA3 GLY 7 2HA GLY 7 -10.782 -13.940 5.459 30 H SER 8 H SER 8 -12.695 -11.879 5.253 31 HA SER 8 HA SER 8 -14.007 -12.317 2.678 32 HB2 SER 8 1HB SER 8 -14.224 -10.177 4.785 33 HB3 SER 8 2HB SER 8 -14.889 -9.939 3.169 34 HG SER 8 HG SER 8 -16.453 -11.280 3.617 35 H GLY 9 H GLY 9 -13.778 -10.744 0.955 36 HA2 GLY 9 1HA GLY 9 -11.026 -9.701 0.845 37 HA3 GLY 9 2HA GLY 9 -12.005 -10.133 -0.549 38 H GLU 10 H GLU 10 -12.806 -8.119 2.264 39 HA GLU 10 HA GLU 10 -13.831 -6.067 0.499 40 HB2 GLU 10 1HB GLU 10 -14.939 -6.794 2.661 41 HB3 GLU 10 2HB GLU 10 -13.641 -5.965 3.508 42 HG2 GLU 10 1HG GLU 10 -15.634 -4.583 3.363 43 HG3 GLU 10 2HG GLU 10 -14.287 -3.861 2.485 44 H LYS 11 H LYS 11 -11.136 -6.350 0.092 45 HA LYS 11 HA LYS 11 -10.093 -3.828 1.196 46 HB2 LYS 11 1HB LYS 11 -8.541 -6.382 0.736 47 HB3 LYS 11 2HB LYS 11 -7.826 -4.838 1.183 48 HG2 LYS 11 1HG LYS 11 -8.810 -4.882 3.319 49 HG3 LYS 11 2HG LYS 11 -9.911 -6.187 2.870 50 HD2 LYS 11 1HD LYS 11 -8.016 -7.717 2.659 51 HD3 LYS 11 2HD LYS 11 -6.908 -6.412 3.089 52 HE2 LYS 11 1HE LYS 11 -9.155 -7.041 4.937 53 HE3 LYS 11 2HE LYS 11 -7.775 -8.137 4.889 54 HZ1 LYS 11 3HZ LYS 11 -6.317 -6.351 5.457 55 HZ2 LYS 11 1HZ LYS 11 -7.584 -6.364 6.578 56 HZ3 LYS 11 2HZ LYS 11 -7.561 -5.212 5.340 57 HA PRO 12 HA PRO 12 -10.099 -3.616 -3.411 58 HB2 PRO 12 1HB PRO 12 -10.831 -1.004 -3.502 59 HB3 PRO 12 2HB PRO 12 -11.999 -2.324 -3.371 60 HG2 PRO 12 1HG PRO 12 -10.902 -0.545 -1.228 61 HG3 PRO 12 2HG PRO 12 -12.570 -1.089 -1.486 62 HD2 PRO 12 1HD PRO 12 -10.936 -2.223 0.352 63 HD3 PRO 12 2HD PRO 12 -12.184 -3.143 -0.513 64 H TYR 13 H TYR 13 -8.894 -1.236 -1.062 65 HA TYR 13 HA TYR 13 -6.599 -0.746 -2.842 66 HB2 TYR 13 1HB TYR 13 -7.272 1.098 -0.588 67 HB3 TYR 13 2HB TYR 13 -6.500 1.452 -2.129 68 HD1 TYR 13 HD1 TYR 13 -7.899 1.582 -4.199 69 HD2 TYR 13 HD2 TYR 13 -9.621 1.284 -0.320 70 HE1 TYR 13 HE1 TYR 13 -10.047 2.372 -5.099 71 HE2 TYR 13 HE2 TYR 13 -11.775 2.072 -1.209 72 HH TYR 13 HH TYR 13 -12.237 2.645 -4.665 73 H LYS 14 H LYS 14 -4.608 -1.232 -2.153 74 HA LYS 14 HA LYS 14 -4.011 -1.474 0.671 75 HB2 LYS 14 1HB LYS 14 -4.923 -3.694 0.103 76 HB3 LYS 14 2HB LYS 14 -3.727 -3.852 -1.177 77 HG2 LYS 14 1HG LYS 14 -2.758 -3.321 1.578 78 HG3 LYS 14 2HG LYS 14 -3.376 -4.932 1.203 79 HD2 LYS 14 1HD LYS 14 -1.812 -5.045 -0.710 80 HD3 LYS 14 2HD LYS 14 -1.159 -3.474 -0.237 81 HE2 LYS 14 1HE LYS 14 0.322 -5.047 0.679 82 HE3 LYS 14 2HE LYS 14 -0.689 -4.536 2.030 83 HZ1 LYS 14 3HZ LYS 14 -2.078 -6.618 1.142 84 HZ2 LYS 14 1HZ LYS 14 -0.876 -6.744 2.327 85 HZ3 LYS 14 2HZ LYS 14 -0.519 -7.120 0.717 86 H CYS 15 H CYS 15 -2.118 -0.516 0.951 87 HA CYS 15 HA CYS 15 -0.385 0.085 -1.235 88 HB2 CYS 15 1HB CYS 15 -0.656 1.602 0.689 89 HB3 CYS 15 2HB CYS 15 0.079 0.395 1.739 90 H SER 16 H SER 16 0.768 -1.482 -2.165 91 HA SER 16 HA SER 16 1.659 -3.812 -0.790 92 HB2 SER 16 1HB SER 16 2.641 -4.471 -2.869 93 HB3 SER 16 2HB SER 16 1.129 -3.654 -3.262 94 HG SER 16 HG SER 16 3.610 -3.038 -4.038 95 H GLU 17 H GLU 17 3.162 -0.775 -1.736 96 HA GLU 17 HA GLU 17 5.817 -1.218 -1.470 97 HB2 GLU 17 1HB GLU 17 4.221 1.105 -0.385 98 HB3 GLU 17 2HB GLU 17 5.977 1.089 -0.465 99 HG2 GLU 17 1HG GLU 17 6.010 1.201 -2.768 100 HG3 GLU 17 2HG GLU 17 4.374 0.563 -2.925 101 H CYS 18 H CYS 18 3.752 -0.308 1.296 102 HA CYS 18 HA CYS 18 5.745 -1.519 3.084 103 HB2 CYS 18 1HB CYS 18 4.680 -0.196 4.871 104 HB3 CYS 18 2HB CYS 18 5.248 0.824 3.553 105 H GLY 19 H GLY 19 2.309 -1.491 2.284 106 HA2 GLY 19 1HA GLY 19 1.129 -3.621 2.338 107 HA3 GLY 19 2HA GLY 19 2.042 -4.019 3.786 108 H LYS 20 H LYS 20 0.476 -0.937 3.088 109 HA LYS 20 HA LYS 20 -1.306 -1.424 5.384 110 HB2 LYS 20 1HB LYS 20 0.540 0.477 5.340 111 HB3 LYS 20 2HB LYS 20 -0.698 1.341 4.438 112 HG2 LYS 20 1HG LYS 20 -2.169 1.366 6.239 113 HG3 LYS 20 2HG LYS 20 -1.325 0.055 7.067 114 HD2 LYS 20 1HD LYS 20 0.666 1.759 7.081 115 HD3 LYS 20 2HD LYS 20 -0.620 2.950 6.873 116 HE2 LYS 20 1HE LYS 20 -0.317 2.798 9.192 117 HE3 LYS 20 2HE LYS 20 -1.750 1.825 8.864 118 HZ1 LYS 20 3HZ LYS 20 -0.490 0.513 10.281 119 HZ2 LYS 20 1HZ LYS 20 0.976 0.919 9.541 120 HZ3 LYS 20 2HZ LYS 20 -0.109 -0.113 8.756 121 H ALA 21 H ALA 21 -3.408 -1.520 4.967 122 HA ALA 21 HA ALA 21 -4.374 -0.497 2.385 123 HB1 ALA 21 3HB ALA 21 -4.626 -2.988 3.283 124 HB2 ALA 21 1HB ALA 21 -6.070 -2.293 4.020 125 HB3 ALA 21 2HB ALA 21 -5.849 -2.219 2.272 126 H PHE 22 H PHE 22 -6.560 0.423 2.343 127 HA PHE 22 HA PHE 22 -7.558 1.499 4.854 128 HB2 PHE 22 1HB PHE 22 -6.865 3.355 2.571 129 HB3 PHE 22 2HB PHE 22 -7.482 3.803 4.158 130 HD1 PHE 22 HD1 PHE 22 -4.582 2.167 2.505 131 HD2 PHE 22 HD2 PHE 22 -6.011 4.374 5.852 132 HE1 PHE 22 HE1 PHE 22 -2.275 2.411 3.326 133 HE2 PHE 22 HE2 PHE 22 -3.707 4.623 6.677 134 HZ PHE 22 HZ PHE 22 -1.835 3.641 5.413 135 H HIS 23 H HIS 23 -9.697 2.346 4.706 136 HA HIS 23 HA HIS 23 -11.263 1.044 2.659 137 HB2 HIS 23 1HB HIS 23 -12.030 1.024 4.986 138 HB3 HIS 23 2HB HIS 23 -12.112 2.783 4.986 139 HD1 HIS 23 HD1 HIS 23 -14.065 -0.206 4.218 140 HD2 HIS 23 HD2 HIS 23 -14.178 3.826 3.222 141 HE1 HIS 23 HE1 HIS 23 -16.373 0.196 3.304 142 H ARG 24 H ARG 24 -10.238 4.286 3.463 143 HA ARG 24 HA ARG 24 -11.916 5.406 1.341 144 HB2 ARG 24 1HB ARG 24 -10.714 7.575 2.317 145 HB3 ARG 24 2HB ARG 24 -12.139 6.874 3.073 146 HG2 ARG 24 1HG ARG 24 -9.449 5.947 3.945 147 HG3 ARG 24 2HG ARG 24 -10.036 7.519 4.490 148 HD2 ARG 24 1HD ARG 24 -11.526 4.916 4.803 149 HD3 ARG 24 2HD ARG 24 -10.554 5.676 6.062 150 HE ARG 24 HE ARG 24 -12.651 7.330 4.951 151 HH11 ARG 24 1HH1 ARG 24 -11.722 5.081 7.440 152 HH12 ARG 24 2HH1 ARG 24 -12.966 5.580 8.538 153 HH21 ARG 24 1HH2 ARG 24 -14.293 7.996 6.387 154 HH22 ARG 24 2HH2 ARG 24 -14.429 7.238 7.937 155 H HIS 25 H HIS 25 -10.929 4.914 -0.562 156 HA HIS 25 HA HIS 25 -8.301 4.650 -1.193 157 HB2 HIS 25 1HB HIS 25 -10.480 4.555 -2.674 158 HB3 HIS 25 2HB HIS 25 -10.010 6.198 -3.099 159 HD1 HIS 25 HD1 HIS 25 -9.927 4.606 -5.463 160 HD2 HIS 25 HD2 HIS 25 -6.778 4.428 -2.759 161 HE1 HIS 25 HE1 HIS 25 -7.972 3.710 -6.766 162 H THR 26 H THR 26 -10.022 7.629 -0.593 163 HA THR 26 HA THR 26 -8.157 9.438 -1.668 164 HB THR 26 HB THR 26 -9.161 11.077 -0.013 165 HG1 THR 26 HG1 THR 26 -10.917 10.343 1.194 166 HG21 THR 26 3HG2 THR 26 -10.261 9.869 -2.319 167 HG22 THR 26 1HG2 THR 26 -10.592 11.475 -1.672 168 HG23 THR 26 2HG2 THR 26 -11.584 10.103 -1.177 169 H HIS 27 H HIS 27 -8.566 8.265 1.672 170 HA HIS 27 HA HIS 27 -6.434 9.652 2.814 171 HB2 HIS 27 1HB HIS 27 -7.905 7.143 3.517 172 HB3 HIS 27 2HB HIS 27 -6.445 7.557 4.412 173 HD1 HIS 27 HD1 HIS 27 -7.975 7.855 6.532 174 HD2 HIS 27 HD2 HIS 27 -8.691 10.548 3.450 175 HE1 HIS 27 HE1 HIS 27 -9.357 9.693 7.551 176 H LEU 28 H LEU 28 -6.507 6.370 1.443 177 HA LEU 28 HA LEU 28 -3.943 5.550 1.937 178 HB2 LEU 28 1HB LEU 28 -5.361 4.000 0.925 179 HB3 LEU 28 2HB LEU 28 -5.770 5.098 -0.392 180 HG LEU 28 HG LEU 28 -3.287 4.812 -1.077 181 HD11 LEU 28 1HD1 LEU 28 -2.752 3.605 1.078 182 HD12 LEU 28 2HD1 LEU 28 -2.200 2.828 -0.406 183 HD13 LEU 28 3HD1 LEU 28 -3.639 2.229 0.420 184 HD21 LEU 28 3HD2 LEU 28 -5.659 3.181 -1.555 185 HD22 LEU 28 1HD2 LEU 28 -4.146 2.348 -1.913 186 HD23 LEU 28 2HD2 LEU 28 -4.514 3.884 -2.699 187 H ASN 29 H ASN 29 -5.002 7.289 -0.995 188 HA ASN 29 HA ASN 29 -2.592 7.604 -2.254 189 HB2 ASN 29 1HB ASN 29 -4.773 8.336 -3.175 190 HB3 ASN 29 2HB ASN 29 -4.762 9.705 -2.067 191 HD21 ASN 29 1HD2 ASN 29 -4.793 11.203 -3.721 192 HD22 ASN 29 2HD2 ASN 29 -3.420 11.504 -4.726 193 H GLU 30 H GLU 30 -3.922 9.587 0.360 194 HA GLU 30 HA GLU 30 -1.838 11.496 0.396 195 HB2 GLU 30 1HB GLU 30 -3.906 10.649 2.408 196 HB3 GLU 30 2HB GLU 30 -2.683 11.847 2.810 197 HG2 GLU 30 1HG GLU 30 -4.301 12.217 0.341 198 HG3 GLU 30 2HG GLU 30 -5.033 12.561 1.908 199 H HIS 31 H HIS 31 -2.133 8.296 1.683 200 HA HIS 31 HA HIS 31 0.013 8.546 3.578 201 HB2 HIS 31 1HB HIS 31 -1.413 6.867 4.244 202 HB3 HIS 31 2HB HIS 31 -1.731 6.335 2.595 203 HD1 HIS 31 HD1 HIS 31 0.614 5.848 5.453 204 HD2 HIS 31 HD2 HIS 31 0.096 4.461 1.570 205 HE1 HIS 31 HE1 HIS 31 2.136 3.857 5.241 206 H ARG 32 H ARG 32 -0.363 6.816 0.482 207 HA ARG 32 HA ARG 32 2.071 5.724 0.113 208 HB2 ARG 32 1HB ARG 32 0.462 7.267 -1.927 209 HB3 ARG 32 2HB ARG 32 1.824 6.229 -2.330 210 HG2 ARG 32 1HG ARG 32 0.681 4.289 -1.726 211 HG3 ARG 32 2HG ARG 32 -0.526 5.182 -0.798 212 HD2 ARG 32 1HD ARG 32 -1.639 5.905 -2.705 213 HD3 ARG 32 2HD ARG 32 -0.241 5.627 -3.743 214 HE ARG 32 HE ARG 32 -1.220 3.203 -2.609 215 HH11 ARG 32 1HH1 ARG 32 -1.780 5.540 -5.128 216 HH12 ARG 32 2HH1 ARG 32 -2.579 4.414 -6.174 217 HH21 ARG 32 1HH2 ARG 32 -2.272 1.712 -3.977 218 HH22 ARG 32 2HH2 ARG 32 -2.860 2.237 -5.518 219 H ARG 33 H ARG 33 1.373 9.111 0.247 220 HA ARG 33 HA ARG 33 3.480 10.266 -1.087 221 HB2 ARG 33 1HB ARG 33 2.215 11.094 1.529 222 HB3 ARG 33 2HB ARG 33 3.322 12.106 0.611 223 HG2 ARG 33 1HG ARG 33 1.745 12.007 -1.301 224 HG3 ARG 33 2HG ARG 33 0.618 11.125 -0.270 225 HD2 ARG 33 1HD ARG 33 1.726 13.843 0.405 226 HD3 ARG 33 2HD ARG 33 0.202 13.595 -0.445 227 HE ARG 33 HE ARG 33 -0.762 12.869 1.528 228 HH11 ARG 33 1HH1 ARG 33 2.670 13.293 1.933 229 HH12 ARG 33 2HH1 ARG 33 2.613 13.171 3.660 230 HH21 ARG 33 1HH2 ARG 33 -0.850 12.706 3.801 231 HH22 ARG 33 2HH2 ARG 33 0.611 12.836 4.722 232 H ILE 34 H ILE 34 3.457 8.958 2.208 233 HA ILE 34 HA ILE 34 5.956 9.703 3.078 234 HB ILE 34 HB ILE 34 5.937 7.813 4.565 235 HG12 ILE 34 1HG1 ILE 34 3.572 6.651 3.114 236 HG13 ILE 34 2HG1 ILE 34 5.216 6.225 2.649 237 HG21 ILE 34 1HG2 ILE 34 3.145 8.844 4.077 238 HG22 ILE 34 2HG2 ILE 34 3.690 8.037 5.546 239 HG23 ILE 34 3HG2 ILE 34 4.380 9.593 5.088 240 HD11 ILE 34 3HD1 ILE 34 5.645 5.205 4.717 241 HD12 ILE 34 1HD1 ILE 34 4.221 5.931 5.462 242 HD13 ILE 34 2HD1 ILE 34 4.033 4.665 4.248 243 H HIS 35 H HIS 35 5.145 7.458 0.590 244 HA HIS 35 HA HIS 35 7.780 6.229 0.571 245 HB2 HIS 35 1HB HIS 35 5.434 5.862 -1.304 246 HB3 HIS 35 2HB HIS 35 6.909 4.899 -1.307 247 HD1 HIS 35 HD1 HIS 35 7.242 4.196 1.599 248 HD2 HIS 35 HD2 HIS 35 3.549 4.203 -0.303 249 HE1 HIS 35 HE1 HIS 35 5.779 2.674 2.966 250 H THR 36 H THR 36 5.941 8.628 -1.190 251 HA THR 36 HA THR 36 8.112 8.946 -3.131 252 HB THR 36 HB THR 36 6.565 10.469 -4.322 253 HG1 THR 36 HG1 THR 36 5.368 10.833 -2.176 254 HG21 THR 36 3HG2 THR 36 6.468 8.285 -5.138 255 HG22 THR 36 1HG2 THR 36 4.780 8.663 -4.796 256 HG23 THR 36 2HG2 THR 36 5.706 7.668 -3.672 257 H GLY 37 H GLY 37 9.594 9.887 -1.609 258 HA2 GLY 37 1HA GLY 37 10.468 12.232 -1.558 259 HA3 GLY 37 2HA GLY 37 8.903 12.669 -0.888 260 H TYR 38 H TYR 38 11.633 10.470 -0.260 261 HA TYR 38 HA TYR 38 11.892 11.425 2.427 262 HB2 TYR 38 1HB TYR 38 11.194 9.550 3.645 263 HB3 TYR 38 2HB TYR 38 9.929 9.748 2.438 264 HD1 TYR 38 HD2 TYR 38 10.138 8.324 0.291 265 HD2 TYR 38 HD1 TYR 38 12.272 7.498 3.878 266 HE1 TYR 38 HE2 TYR 38 10.478 6.004 -0.452 267 HE2 TYR 38 HE1 TYR 38 12.618 5.176 3.145 268 HH TYR 38 HH TYR 38 11.009 3.617 1.153 269 H ARG 39 H ARG 39 13.752 10.578 3.502 270 HA ARG 39 HA ARG 39 15.826 9.794 1.656 271 HB2 ARG 39 1HB ARG 39 15.843 10.408 4.612 272 HB3 ARG 39 2HB ARG 39 17.281 9.941 3.714 273 HG2 ARG 39 1HG ARG 39 15.677 12.217 2.687 274 HG3 ARG 39 2HG ARG 39 16.657 12.468 4.134 275 HD2 ARG 39 1HD ARG 39 18.629 12.201 3.012 276 HD3 ARG 39 2HD ARG 39 17.925 11.116 1.814 277 HE ARG 39 HE ARG 39 16.748 13.430 1.192 278 HH11 ARG 39 1HH1 ARG 39 20.076 12.654 1.858 279 HH12 ARG 39 2HH1 ARG 39 20.708 13.892 0.824 280 HH21 ARG 39 1HH2 ARG 39 17.568 15.064 -0.173 281 HH22 ARG 39 2HH2 ARG 39 19.281 15.262 -0.331 282 HA PRO 40 HA PRO 40 15.681 5.457 2.387 283 HB2 PRO 40 1HB PRO 40 18.239 4.822 1.738 284 HB3 PRO 40 2HB PRO 40 17.021 5.251 0.532 285 HG2 PRO 40 1HG PRO 40 19.173 6.947 1.738 286 HG3 PRO 40 2HG PRO 40 18.650 6.839 0.047 287 HD2 PRO 40 1HD PRO 40 17.873 8.848 1.687 288 HD3 PRO 40 2HD PRO 40 16.837 8.221 0.389 289 H SER 41 H SER 41 15.925 4.157 4.110 290 HA SER 41 HA SER 41 17.943 4.906 6.123 291 HB2 SER 41 1HB SER 41 15.081 4.100 6.388 292 HB3 SER 41 2HB SER 41 16.203 3.613 7.658 293 HG SER 41 HG SER 41 15.029 5.869 7.550 294 H GLY 42 H GLY 42 18.605 3.183 4.045 295 HA2 GLY 42 1HA GLY 42 20.084 1.274 4.446 296 HA3 GLY 42 2HA GLY 42 18.836 0.621 5.497 297 HA PRO 43 HA PRO 43 17.436 0.118 0.861 298 HB2 PRO 43 1HB PRO 43 19.485 0.089 -0.920 299 HB3 PRO 43 2HB PRO 43 18.602 1.560 -0.495 300 HG2 PRO 43 1HG PRO 43 21.244 0.579 0.513 301 HG3 PRO 43 2HG PRO 43 20.768 2.219 0.037 302 HD2 PRO 43 1HD PRO 43 20.894 1.432 2.625 303 HD3 PRO 43 2HD PRO 43 19.722 2.635 2.048 304 H SER 44 H SER 44 18.178 -1.626 -0.916 305 HA SER 44 HA SER 44 18.479 -3.853 -1.283 306 HB2 SER 44 1HB SER 44 20.842 -3.329 0.534 307 HB3 SER 44 2HB SER 44 20.609 -4.820 -0.378 308 HG SER 44 HG SER 44 21.233 -3.834 -2.129 309 H SER 45 H SER 45 16.566 -3.298 0.631 310 HA SER 45 HA SER 45 17.015 -5.267 2.760 311 HB2 SER 45 1HB SER 45 14.951 -3.081 2.440 312 HB3 SER 45 2HB SER 45 14.905 -4.276 3.736 313 HG SER 45 HG SER 45 17.299 -2.908 3.352 314 H GLY 46 H GLY 46 16.631 -7.219 1.798 315 HA2 GLY 46 1HA GLY 46 14.607 -7.764 -0.072 316 HA3 GLY 46 2HA GLY 46 15.419 -8.961 0.926 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.419 -28.933 -0.708 2 HA2 GLY 1 1HA GLY 1 -10.702 -26.108 -0.281 3 HA3 GLY 1 2HA GLY 1 -10.097 -27.462 0.661 4 H SER 2 H SER 2 -9.544 -25.403 -1.983 5 HA SER 2 HA SER 2 -7.223 -27.029 -2.794 6 HB2 SER 2 1HB SER 2 -9.181 -26.569 -4.479 7 HB3 SER 2 2HB SER 2 -8.431 -24.979 -4.618 8 HG SER 2 HG SER 2 -7.000 -27.403 -4.937 9 H SER 3 H SER 3 -7.063 -25.298 -0.632 10 HA SER 3 HA SER 3 -6.057 -23.395 0.178 11 HB2 SER 3 1HB SER 3 -4.065 -24.223 -1.948 12 HB3 SER 3 2HB SER 3 -3.718 -23.200 -0.554 13 HG SER 3 HG SER 3 -3.385 -24.973 0.501 14 H GLY 4 H GLY 4 -8.020 -22.681 -1.654 15 HA2 GLY 4 1HA GLY 4 -6.977 -20.858 -3.613 16 HA3 GLY 4 2HA GLY 4 -8.662 -21.040 -3.149 17 H SER 5 H SER 5 -9.531 -19.726 -1.570 18 HA SER 5 HA SER 5 -7.950 -17.996 0.051 19 HB2 SER 5 1HB SER 5 -8.560 -15.864 -0.963 20 HB3 SER 5 2HB SER 5 -7.700 -16.856 -2.140 21 HG SER 5 HG SER 5 -9.389 -16.342 -3.315 22 H SER 6 H SER 6 -9.097 -17.402 1.789 23 HA SER 6 HA SER 6 -11.629 -18.415 2.309 24 HB2 SER 6 1HB SER 6 -10.216 -16.069 3.600 25 HB3 SER 6 2HB SER 6 -11.650 -16.859 4.258 26 HG SER 6 HG SER 6 -10.172 -18.843 3.962 27 H GLY 7 H GLY 7 -13.509 -16.926 3.063 28 HA2 GLY 7 1HA GLY 7 -14.195 -15.266 0.748 29 HA3 GLY 7 2HA GLY 7 -15.327 -15.924 1.921 30 H SER 8 H SER 8 -15.920 -14.715 3.648 31 HA SER 8 HA SER 8 -15.891 -12.020 3.655 32 HB2 SER 8 1HB SER 8 -16.253 -12.100 6.113 33 HB3 SER 8 2HB SER 8 -17.223 -13.290 5.246 34 HG SER 8 HG SER 8 -15.507 -13.718 7.206 35 H GLY 9 H GLY 9 -14.258 -10.639 3.458 36 HA2 GLY 9 1HA GLY 9 -12.487 -9.662 5.030 37 HA3 GLY 9 2HA GLY 9 -11.732 -11.239 4.854 38 H GLU 10 H GLU 10 -12.998 -8.579 2.849 39 HA GLU 10 HA GLU 10 -10.572 -8.775 1.212 40 HB2 GLU 10 1HB GLU 10 -12.711 -9.928 0.228 41 HB3 GLU 10 2HB GLU 10 -13.205 -8.279 -0.126 42 HG2 GLU 10 1HG GLU 10 -12.178 -8.928 -2.081 43 HG3 GLU 10 2HG GLU 10 -10.889 -8.068 -1.242 44 H LYS 11 H LYS 11 -9.736 -6.855 0.586 45 HA LYS 11 HA LYS 11 -11.281 -4.437 1.263 46 HB2 LYS 11 1HB LYS 11 -8.277 -4.771 1.333 47 HB3 LYS 11 2HB LYS 11 -9.176 -3.332 1.796 48 HG2 LYS 11 1HG LYS 11 -10.162 -4.498 3.663 49 HG3 LYS 11 2HG LYS 11 -9.390 -6.005 3.167 50 HD2 LYS 11 1HD LYS 11 -7.750 -3.562 3.732 51 HD3 LYS 11 2HD LYS 11 -8.306 -4.596 5.050 52 HE2 LYS 11 1HE LYS 11 -6.799 -5.636 2.660 53 HE3 LYS 11 2HE LYS 11 -6.005 -5.101 4.140 54 HZ1 LYS 11 3HZ LYS 11 -6.294 -7.446 4.254 55 HZ2 LYS 11 1HZ LYS 11 -7.935 -7.336 3.856 56 HZ3 LYS 11 2HZ LYS 11 -7.385 -6.753 5.345 57 HA PRO 12 HA PRO 12 -10.932 -3.281 -2.975 58 HB2 PRO 12 1HB PRO 12 -11.376 -0.616 -2.709 59 HB3 PRO 12 2HB PRO 12 -12.658 -1.823 -2.558 60 HG2 PRO 12 1HG PRO 12 -11.122 -0.412 -0.410 61 HG3 PRO 12 2HG PRO 12 -12.859 -0.758 -0.500 62 HD2 PRO 12 1HD PRO 12 -11.152 -2.246 0.985 63 HD3 PRO 12 2HD PRO 12 -12.589 -2.936 0.204 64 H TYR 13 H TYR 13 -9.341 -1.026 -0.708 65 HA TYR 13 HA TYR 13 -7.163 -0.718 -2.659 66 HB2 TYR 13 1HB TYR 13 -7.561 1.057 -0.268 67 HB3 TYR 13 2HB TYR 13 -6.729 1.411 -1.778 68 HD1 TYR 13 HD1 TYR 13 -7.978 2.050 -3.768 69 HD2 TYR 13 HD2 TYR 13 -9.974 1.234 -0.100 70 HE1 TYR 13 HE1 TYR 13 -10.014 3.117 -4.645 71 HE2 TYR 13 HE2 TYR 13 -12.015 2.297 -0.967 72 HH TYR 13 HH TYR 13 -12.834 3.640 -2.613 73 H LYS 14 H LYS 14 -5.011 -0.909 -2.015 74 HA LYS 14 HA LYS 14 -4.240 -1.505 0.661 75 HB2 LYS 14 1HB LYS 14 -5.381 -3.648 -0.206 76 HB3 LYS 14 2HB LYS 14 -3.961 -3.832 -1.227 77 HG2 LYS 14 1HG LYS 14 -2.697 -3.509 1.063 78 HG3 LYS 14 2HG LYS 14 -4.230 -4.088 1.718 79 HD2 LYS 14 1HD LYS 14 -4.083 -6.068 0.269 80 HD3 LYS 14 2HD LYS 14 -2.533 -5.491 -0.347 81 HE2 LYS 14 1HE LYS 14 -2.047 -7.101 1.325 82 HE3 LYS 14 2HE LYS 14 -1.702 -5.522 2.027 83 HZ1 LYS 14 3HZ LYS 14 -4.309 -5.958 2.663 84 HZ2 LYS 14 1HZ LYS 14 -2.990 -6.181 3.698 85 HZ3 LYS 14 2HZ LYS 14 -3.617 -7.492 2.834 86 H CYS 15 H CYS 15 -2.197 -0.869 0.880 87 HA CYS 15 HA CYS 15 -0.651 -0.172 -1.444 88 HB2 CYS 15 1HB CYS 15 -0.547 1.324 0.425 89 HB3 CYS 15 2HB CYS 15 -0.098 0.020 1.519 90 H SER 16 H SER 16 1.498 -0.914 -1.881 91 HA SER 16 HA SER 16 1.917 -3.704 -1.038 92 HB2 SER 16 1HB SER 16 1.504 -3.175 -3.507 93 HB3 SER 16 2HB SER 16 3.099 -2.423 -3.502 94 HG SER 16 HG SER 16 2.880 -4.997 -2.452 95 H GLU 17 H GLU 17 3.482 -0.593 -1.555 96 HA GLU 17 HA GLU 17 6.126 -1.204 -1.146 97 HB2 GLU 17 1HB GLU 17 4.552 1.197 -0.211 98 HB3 GLU 17 2HB GLU 17 6.304 1.092 -0.105 99 HG2 GLU 17 1HG GLU 17 4.726 0.881 -2.658 100 HG3 GLU 17 2HG GLU 17 5.506 2.349 -2.071 101 H CYS 18 H CYS 18 3.931 -0.107 1.447 102 HA CYS 18 HA CYS 18 5.693 -1.383 3.406 103 HB2 CYS 18 1HB CYS 18 4.507 -0.065 5.079 104 HB3 CYS 18 2HB CYS 18 5.073 0.976 3.777 105 H GLY 19 H GLY 19 2.336 -1.368 2.301 106 HA2 GLY 19 1HA GLY 19 1.109 -3.442 2.214 107 HA3 GLY 19 2HA GLY 19 1.985 -3.967 3.644 108 H LYS 20 H LYS 20 0.444 -0.831 3.144 109 HA LYS 20 HA LYS 20 -1.276 -1.407 5.458 110 HB2 LYS 20 1HB LYS 20 0.411 0.597 5.333 111 HB3 LYS 20 2HB LYS 20 -0.850 1.350 4.366 112 HG2 LYS 20 1HG LYS 20 -2.371 1.355 6.146 113 HG3 LYS 20 2HG LYS 20 -1.419 0.194 7.074 114 HD2 LYS 20 1HD LYS 20 -0.272 2.863 6.345 115 HD3 LYS 20 2HD LYS 20 -1.353 2.703 7.731 116 HE2 LYS 20 1HE LYS 20 0.750 2.433 8.676 117 HE3 LYS 20 2HE LYS 20 0.210 0.772 8.435 118 HZ1 LYS 20 3HZ LYS 20 2.570 1.755 7.600 119 HZ2 LYS 20 1HZ LYS 20 1.640 1.891 6.194 120 HZ3 LYS 20 2HZ LYS 20 1.816 0.388 6.949 121 H ALA 21 H ALA 21 -3.423 -1.486 5.235 122 HA ALA 21 HA ALA 21 -4.550 -0.838 2.601 123 HB1 ALA 21 3HB ALA 21 -5.713 -2.720 2.772 124 HB2 ALA 21 1HB ALA 21 -4.843 -3.072 4.266 125 HB3 ALA 21 2HB ALA 21 -6.386 -2.219 4.324 126 H PHE 22 H PHE 22 -6.467 0.361 2.413 127 HA PHE 22 HA PHE 22 -7.325 1.811 4.821 128 HB2 PHE 22 1HB PHE 22 -6.769 3.054 2.119 129 HB3 PHE 22 2HB PHE 22 -7.465 3.894 3.501 130 HD1 PHE 22 HD2 PHE 22 -6.094 4.324 5.504 131 HD2 PHE 22 HD1 PHE 22 -4.436 2.645 1.962 132 HE1 PHE 22 HE2 PHE 22 -3.835 4.891 6.297 133 HE2 PHE 22 HE1 PHE 22 -2.174 3.208 2.750 134 HZ PHE 22 HZ PHE 22 -1.871 4.334 4.919 135 H HIS 23 H HIS 23 -9.484 2.506 4.834 136 HA HIS 23 HA HIS 23 -11.265 0.849 3.319 137 HB2 HIS 23 1HB HIS 23 -12.029 3.170 5.092 138 HB3 HIS 23 2HB HIS 23 -13.014 1.776 4.657 139 HD1 HIS 23 HD1 HIS 23 -11.341 -0.566 5.384 140 HD2 HIS 23 HD2 HIS 23 -11.427 2.879 7.703 141 HE1 HIS 23 HE1 HIS 23 -10.599 -1.281 7.677 142 H ARG 24 H ARG 24 -9.996 4.036 3.001 143 HA ARG 24 HA ARG 24 -11.747 4.474 0.677 144 HB2 ARG 24 1HB ARG 24 -10.810 6.635 2.571 145 HB3 ARG 24 2HB ARG 24 -11.864 6.843 1.178 146 HG2 ARG 24 1HG ARG 24 -13.527 5.369 2.302 147 HG3 ARG 24 2HG ARG 24 -12.489 5.376 3.728 148 HD2 ARG 24 1HD ARG 24 -13.616 7.852 2.430 149 HD3 ARG 24 2HD ARG 24 -14.348 7.033 3.809 150 HE ARG 24 HE ARG 24 -11.617 7.691 4.289 151 HH11 ARG 24 1HH1 ARG 24 -14.841 9.001 4.222 152 HH12 ARG 24 2HH1 ARG 24 -14.493 10.261 5.360 153 HH21 ARG 24 1HH2 ARG 24 -11.146 9.345 5.787 154 HH22 ARG 24 2HH2 ARG 24 -12.391 10.456 6.248 155 H HIS 25 H HIS 25 -10.825 5.679 -1.046 156 HA HIS 25 HA HIS 25 -8.104 5.104 -1.537 157 HB2 HIS 25 1HB HIS 25 -9.799 5.320 -3.323 158 HB3 HIS 25 2HB HIS 25 -9.913 7.045 -2.991 159 HD1 HIS 25 HD1 HIS 25 -7.641 8.432 -3.451 160 HD2 HIS 25 HD2 HIS 25 -7.858 4.627 -5.105 161 HE1 HIS 25 HE1 HIS 25 -5.857 8.366 -5.222 162 H THR 26 H THR 26 -9.776 8.175 -0.879 163 HA THR 26 HA THR 26 -7.848 10.029 -1.077 164 HB THR 26 HB THR 26 -9.927 10.783 -0.270 165 HG1 THR 26 HG1 THR 26 -8.487 11.062 2.126 166 HG21 THR 26 3HG2 THR 26 -10.517 8.626 0.861 167 HG22 THR 26 1HG2 THR 26 -10.980 10.070 1.760 168 HG23 THR 26 2HG2 THR 26 -9.553 9.151 2.240 169 H HIS 27 H HIS 27 -8.131 7.718 1.591 170 HA HIS 27 HA HIS 27 -5.981 8.730 3.120 171 HB2 HIS 27 1HB HIS 27 -7.478 6.136 3.049 172 HB3 HIS 27 2HB HIS 27 -6.008 6.262 4.010 173 HD1 HIS 27 HD1 HIS 27 -8.267 5.717 5.716 174 HD2 HIS 27 HD2 HIS 27 -7.497 9.596 4.441 175 HE1 HIS 27 HE1 HIS 27 -9.440 7.211 7.363 176 H LEU 28 H LEU 28 -6.125 5.819 1.059 177 HA LEU 28 HA LEU 28 -3.467 5.107 1.159 178 HB2 LEU 28 1HB LEU 28 -5.115 3.693 0.129 179 HB3 LEU 28 2HB LEU 28 -5.412 4.888 -1.131 180 HG LEU 28 HG LEU 28 -3.056 4.512 -1.911 181 HD11 LEU 28 1HD1 LEU 28 -3.110 2.720 0.408 182 HD12 LEU 28 2HD1 LEU 28 -1.748 3.486 -0.407 183 HD13 LEU 28 3HD1 LEU 28 -2.447 2.006 -1.062 184 HD21 LEU 28 3HD2 LEU 28 -5.385 3.066 -2.393 185 HD22 LEU 28 1HD2 LEU 28 -4.124 1.847 -2.208 186 HD23 LEU 28 2HD2 LEU 28 -3.943 3.127 -3.407 187 H ASN 29 H ASN 29 -5.028 7.326 -1.137 188 HA ASN 29 HA ASN 29 -2.841 7.921 -2.728 189 HB2 ASN 29 1HB ASN 29 -5.121 8.669 -3.242 190 HB3 ASN 29 2HB ASN 29 -5.072 9.781 -1.878 191 HD21 ASN 29 1HD2 ASN 29 -5.616 11.314 -3.618 192 HD22 ASN 29 2HD2 ASN 29 -4.318 12.037 -4.500 193 H GLU 30 H GLU 30 -3.973 9.748 0.121 194 HA GLU 30 HA GLU 30 -1.723 11.469 0.188 195 HB2 GLU 30 1HB GLU 30 -3.620 10.764 2.434 196 HB3 GLU 30 2HB GLU 30 -2.548 12.156 2.381 197 HG2 GLU 30 1HG GLU 30 -4.637 11.727 0.281 198 HG3 GLU 30 2HG GLU 30 -5.022 12.496 1.820 199 H HIS 31 H HIS 31 -2.311 8.282 1.384 200 HA HIS 31 HA HIS 31 -0.368 8.198 3.430 201 HB2 HIS 31 1HB HIS 31 -1.826 6.413 3.560 202 HB3 HIS 31 2HB HIS 31 -1.841 6.161 1.817 203 HD1 HIS 31 HD1 HIS 31 0.447 5.608 4.792 204 HD2 HIS 31 HD2 HIS 31 -0.210 4.158 0.954 205 HE1 HIS 31 HE1 HIS 31 1.968 3.620 4.555 206 H ARG 32 H ARG 32 -0.230 7.350 -0.012 207 HA ARG 32 HA ARG 32 2.315 6.299 -0.153 208 HB2 ARG 32 1HB ARG 32 0.763 7.973 -2.120 209 HB3 ARG 32 2HB ARG 32 2.335 7.288 -2.509 210 HG2 ARG 32 1HG ARG 32 1.524 5.076 -2.324 211 HG3 ARG 32 2HG ARG 32 0.021 5.617 -1.574 212 HD2 ARG 32 1HD ARG 32 -0.287 4.996 -3.931 213 HD3 ARG 32 2HD ARG 32 -0.655 6.695 -3.635 214 HE ARG 32 HE ARG 32 2.043 6.336 -4.468 215 HH11 ARG 32 1HH1 ARG 32 -1.238 6.466 -5.627 216 HH12 ARG 32 2HH1 ARG 32 -0.793 6.990 -7.218 217 HH21 ARG 32 1HH2 ARG 32 2.641 7.026 -6.559 218 HH22 ARG 32 2HH2 ARG 32 1.414 7.307 -7.747 219 H ARG 33 H ARG 33 1.395 9.486 0.631 220 HA ARG 33 HA ARG 33 3.397 11.101 -0.296 221 HB2 ARG 33 1HB ARG 33 1.958 11.067 2.346 222 HB3 ARG 33 2HB ARG 33 3.158 12.298 1.975 223 HG2 ARG 33 1HG ARG 33 0.730 11.752 0.284 224 HG3 ARG 33 2HG ARG 33 0.808 12.984 1.546 225 HD2 ARG 33 1HD ARG 33 2.595 12.836 -0.880 226 HD3 ARG 33 2HD ARG 33 1.217 13.918 -0.688 227 HE ARG 33 HE ARG 33 3.165 14.174 1.403 228 HH11 ARG 33 1HH1 ARG 33 2.284 15.176 -1.812 229 HH12 ARG 33 2HH1 ARG 33 3.173 16.661 -1.733 230 HH21 ARG 33 1HH2 ARG 33 4.339 16.126 1.519 231 HH22 ARG 33 2HH2 ARG 33 4.342 17.200 0.162 232 H ILE 34 H ILE 34 3.545 8.824 2.392 233 HA ILE 34 HA ILE 34 6.139 9.588 3.275 234 HB ILE 34 HB ILE 34 6.120 7.575 4.614 235 HG12 ILE 34 1HG1 ILE 34 3.495 6.721 3.455 236 HG13 ILE 34 2HG1 ILE 34 4.983 6.275 2.627 237 HG21 ILE 34 1HG2 ILE 34 3.283 8.219 4.909 238 HG22 ILE 34 2HG2 ILE 34 4.613 8.394 6.053 239 HG23 ILE 34 3HG2 ILE 34 4.336 9.631 4.827 240 HD11 ILE 34 3HD1 ILE 34 3.891 4.691 4.396 241 HD12 ILE 34 1HD1 ILE 34 5.643 4.859 4.292 242 HD13 ILE 34 2HD1 ILE 34 4.747 5.727 5.539 243 H HIS 35 H HIS 35 4.955 7.505 0.775 244 HA HIS 35 HA HIS 35 7.487 6.134 0.434 245 HB2 HIS 35 1HB HIS 35 4.879 6.043 -1.084 246 HB3 HIS 35 2HB HIS 35 6.308 5.142 -1.581 247 HD1 HIS 35 HD1 HIS 35 7.264 4.018 1.073 248 HD2 HIS 35 HD2 HIS 35 3.267 4.122 -0.057 249 HE1 HIS 35 HE1 HIS 35 6.135 2.225 2.428 250 H THR 36 H THR 36 5.683 8.753 -1.037 251 HA THR 36 HA THR 36 7.200 9.009 -3.399 252 HB THR 36 HB THR 36 6.124 11.056 -3.757 253 HG1 THR 36 HG1 THR 36 6.142 11.242 -0.943 254 HG21 THR 36 3HG2 THR 36 4.637 8.917 -3.098 255 HG22 THR 36 1HG2 THR 36 3.940 10.452 -3.615 256 HG23 THR 36 2HG2 THR 36 4.047 10.066 -1.897 257 H GLY 37 H GLY 37 9.178 9.791 -3.762 258 HA2 GLY 37 1HA GLY 37 10.813 10.644 -1.565 259 HA3 GLY 37 2HA GLY 37 11.303 10.535 -3.249 260 H TYR 38 H TYR 38 11.918 12.629 -1.349 261 HA TYR 38 HA TYR 38 10.517 14.916 -1.331 262 HB2 TYR 38 1HB TYR 38 12.708 14.860 -0.361 263 HB3 TYR 38 2HB TYR 38 13.460 14.593 -1.930 264 HD1 TYR 38 HD1 TYR 38 11.663 17.085 0.135 265 HD2 TYR 38 HD2 TYR 38 14.031 16.412 -3.336 266 HE1 TYR 38 HE1 TYR 38 11.952 19.513 -0.131 267 HE2 TYR 38 HE2 TYR 38 14.328 18.838 -3.611 268 HH TYR 38 HH TYR 38 13.945 20.849 -2.749 269 H ARG 39 H ARG 39 9.965 16.580 -2.678 270 HA ARG 39 HA ARG 39 10.769 16.396 -5.494 271 HB2 ARG 39 1HB ARG 39 7.969 16.474 -4.405 272 HB3 ARG 39 2HB ARG 39 8.330 17.087 -6.012 273 HG2 ARG 39 1HG ARG 39 9.036 14.305 -5.124 274 HG3 ARG 39 2HG ARG 39 7.505 14.718 -5.899 275 HD2 ARG 39 1HD ARG 39 10.176 15.364 -7.121 276 HD3 ARG 39 2HD ARG 39 9.343 13.837 -7.409 277 HE ARG 39 HE ARG 39 7.489 15.751 -8.000 278 HH11 ARG 39 1HH1 ARG 39 10.722 15.035 -9.075 279 HH12 ARG 39 2HH1 ARG 39 10.474 15.672 -10.667 280 HH21 ARG 39 1HH2 ARG 39 7.150 16.592 -10.093 281 HH22 ARG 39 2HH2 ARG 39 8.442 16.558 -11.245 282 HA PRO 40 HA PRO 40 11.417 20.730 -5.143 283 HB2 PRO 40 1HB PRO 40 11.136 21.456 -7.744 284 HB3 PRO 40 2HB PRO 40 12.547 20.580 -7.138 285 HG2 PRO 40 1HG PRO 40 10.138 19.531 -8.574 286 HG3 PRO 40 2HG PRO 40 11.847 19.118 -8.806 287 HD2 PRO 40 1HD PRO 40 10.148 17.551 -7.396 288 HD3 PRO 40 2HD PRO 40 11.874 17.681 -7.005 289 H SER 41 H SER 41 8.448 19.378 -5.803 290 HA SER 41 HA SER 41 6.942 21.608 -6.663 291 HB2 SER 41 1HB SER 41 6.224 19.173 -6.715 292 HB3 SER 41 2HB SER 41 5.898 19.319 -4.988 293 HG SER 41 HG SER 41 4.004 19.763 -6.041 294 H GLY 42 H GLY 42 7.426 23.425 -5.457 295 HA2 GLY 42 1HA GLY 42 6.297 24.741 -3.726 296 HA3 GLY 42 2HA GLY 42 6.464 23.350 -2.664 297 HA PRO 43 HA PRO 43 10.228 26.365 -2.621 298 HB2 PRO 43 1HB PRO 43 9.444 28.185 -0.766 299 HB3 PRO 43 2HB PRO 43 9.186 28.409 -2.500 300 HG2 PRO 43 1HG PRO 43 7.270 27.455 -0.407 301 HG3 PRO 43 2HG PRO 43 6.997 28.596 -1.737 302 HD2 PRO 43 1HD PRO 43 6.217 26.005 -1.857 303 HD3 PRO 43 2HD PRO 43 6.733 26.915 -3.292 304 H SER 44 H SER 44 11.664 25.263 -1.453 305 HA SER 44 HA SER 44 11.039 24.701 1.371 306 HB2 SER 44 1HB SER 44 11.121 22.712 -0.338 307 HB3 SER 44 2HB SER 44 12.867 22.914 -0.196 308 HG SER 44 HG SER 44 12.801 22.118 1.758 309 H SER 45 H SER 45 12.133 26.535 2.090 310 HA SER 45 HA SER 45 14.915 26.213 2.529 311 HB2 SER 45 1HB SER 45 14.831 27.060 0.123 312 HB3 SER 45 2HB SER 45 14.238 28.583 0.786 313 HG SER 45 HG SER 45 16.764 27.589 0.731 314 H GLY 46 H GLY 46 15.846 28.097 3.730 315 HA2 GLY 46 1HA GLY 46 15.648 29.933 5.164 316 HA3 GLY 46 2HA GLY 46 13.917 29.956 4.858 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.709 -25.935 3.901 2 HA2 GLY 1 1HA GLY 1 0.193 -23.729 2.537 3 HA3 GLY 1 2HA GLY 1 0.061 -24.983 1.313 4 H SER 2 H SER 2 -1.452 -22.895 0.842 5 HA SER 2 HA SER 2 -4.114 -23.935 1.004 6 HB2 SER 2 1HB SER 2 -3.299 -21.624 2.730 7 HB3 SER 2 2HB SER 2 -4.924 -21.661 2.046 8 HG SER 2 HG SER 2 -4.686 -22.662 4.160 9 H SER 3 H SER 3 -5.308 -23.245 -0.682 10 HA SER 3 HA SER 3 -4.525 -20.794 -2.079 11 HB2 SER 3 1HB SER 3 -4.435 -21.872 -4.231 12 HB3 SER 3 2HB SER 3 -3.360 -22.752 -3.145 13 HG SER 3 HG SER 3 -5.436 -23.681 -4.525 14 H GLY 4 H GLY 4 -6.161 -19.960 -3.506 15 HA2 GLY 4 1HA GLY 4 -8.374 -20.041 -4.434 16 HA3 GLY 4 2HA GLY 4 -8.831 -21.148 -3.148 17 H SER 5 H SER 5 -10.486 -20.079 -2.210 18 HA SER 5 HA SER 5 -10.080 -17.277 -1.441 19 HB2 SER 5 1HB SER 5 -12.483 -18.970 -1.957 20 HB3 SER 5 2HB SER 5 -12.636 -17.645 -0.803 21 HG SER 5 HG SER 5 -12.943 -16.510 -2.553 22 H SER 6 H SER 6 -8.642 -17.824 0.297 23 HA SER 6 HA SER 6 -9.761 -19.321 2.531 24 HB2 SER 6 1HB SER 6 -7.047 -18.303 1.807 25 HB3 SER 6 2HB SER 6 -7.408 -18.592 3.509 26 HG SER 6 HG SER 6 -7.867 -20.519 1.485 27 H GLY 7 H GLY 7 -8.289 -16.107 2.029 28 HA2 GLY 7 1HA GLY 7 -9.617 -15.178 4.477 29 HA3 GLY 7 2HA GLY 7 -8.305 -14.358 3.644 30 H SER 8 H SER 8 -11.721 -14.785 3.885 31 HA SER 8 HA SER 8 -12.529 -13.539 1.498 32 HB2 SER 8 1HB SER 8 -13.907 -14.842 3.310 33 HB3 SER 8 2HB SER 8 -14.119 -13.244 4.024 34 HG SER 8 HG SER 8 -15.370 -12.671 2.407 35 H GLY 9 H GLY 9 -11.909 -12.221 4.736 36 HA2 GLY 9 1HA GLY 9 -12.625 -9.552 4.100 37 HA3 GLY 9 2HA GLY 9 -11.651 -10.059 5.472 38 H GLU 10 H GLU 10 -11.655 -8.534 2.443 39 HA GLU 10 HA GLU 10 -8.802 -8.021 2.676 40 HB2 GLU 10 1HB GLU 10 -8.343 -8.580 0.338 41 HB3 GLU 10 2HB GLU 10 -8.892 -9.992 1.231 42 HG2 GLU 10 1HG GLU 10 -11.203 -9.485 0.309 43 HG3 GLU 10 2HG GLU 10 -10.397 -8.366 -0.790 44 H LYS 11 H LYS 11 -8.275 -5.994 2.086 45 HA LYS 11 HA LYS 11 -10.434 -4.274 1.142 46 HB2 LYS 11 1HB LYS 11 -7.863 -3.854 2.583 47 HB3 LYS 11 2HB LYS 11 -8.466 -2.532 1.593 48 HG2 LYS 11 1HG LYS 11 -10.651 -2.770 2.851 49 HG3 LYS 11 2HG LYS 11 -9.776 -3.822 3.966 50 HD2 LYS 11 1HD LYS 11 -8.466 -2.103 4.769 51 HD3 LYS 11 2HD LYS 11 -8.650 -1.138 3.303 52 HE2 LYS 11 1HE LYS 11 -9.887 -0.086 5.067 53 HE3 LYS 11 2HE LYS 11 -11.032 -0.772 3.916 54 HZ1 LYS 11 3HZ LYS 11 -11.050 -1.174 6.601 55 HZ2 LYS 11 1HZ LYS 11 -10.335 -2.592 6.019 56 HZ3 LYS 11 2HZ LYS 11 -11.861 -2.123 5.460 57 HA PRO 12 HA PRO 12 -8.906 -4.019 -2.979 58 HB2 PRO 12 1HB PRO 12 -9.961 -1.619 -3.685 59 HB3 PRO 12 2HB PRO 12 -10.936 -3.084 -3.514 60 HG2 PRO 12 1HG PRO 12 -10.554 -0.828 -1.584 61 HG3 PRO 12 2HG PRO 12 -12.043 -1.685 -2.023 62 HD2 PRO 12 1HD PRO 12 -10.672 -2.217 0.251 63 HD3 PRO 12 2HD PRO 12 -11.580 -3.463 -0.630 64 H TYR 13 H TYR 13 -8.570 -1.095 -0.979 65 HA TYR 13 HA TYR 13 -6.208 -0.307 -2.507 66 HB2 TYR 13 1HB TYR 13 -7.456 1.190 -0.205 67 HB3 TYR 13 2HB TYR 13 -6.384 1.820 -1.450 68 HD1 TYR 13 HD1 TYR 13 -7.290 1.689 -3.898 69 HD2 TYR 13 HD2 TYR 13 -9.748 1.468 -0.432 70 HE1 TYR 13 HE1 TYR 13 -9.237 2.357 -5.244 71 HE2 TYR 13 HE2 TYR 13 -11.702 2.134 -1.768 72 HH TYR 13 HH TYR 13 -11.450 3.418 -4.878 73 H LYS 14 H LYS 14 -4.733 -1.878 -1.815 74 HA LYS 14 HA LYS 14 -3.871 -1.597 0.990 75 HB2 LYS 14 1HB LYS 14 -4.875 -3.851 0.235 76 HB3 LYS 14 2HB LYS 14 -3.379 -4.061 -0.665 77 HG2 LYS 14 1HG LYS 14 -3.297 -3.410 2.249 78 HG3 LYS 14 2HG LYS 14 -3.598 -5.063 1.710 79 HD2 LYS 14 1HD LYS 14 -1.306 -3.579 0.523 80 HD3 LYS 14 2HD LYS 14 -1.149 -4.186 2.172 81 HE2 LYS 14 1HE LYS 14 -1.392 -6.409 1.501 82 HE3 LYS 14 2HE LYS 14 -2.107 -5.961 -0.046 83 HZ1 LYS 14 3HZ LYS 14 -0.063 -5.405 -0.927 84 HZ2 LYS 14 1HZ LYS 14 0.325 -6.750 0.024 85 HZ3 LYS 14 2HZ LYS 14 0.666 -5.190 0.584 86 H CYS 15 H CYS 15 -2.149 -0.289 0.931 87 HA CYS 15 HA CYS 15 -0.428 0.174 -1.178 88 HB2 CYS 15 1HB CYS 15 -0.594 1.511 0.944 89 HB3 CYS 15 2HB CYS 15 0.358 0.261 1.739 90 H SER 16 H SER 16 0.342 -1.586 -2.257 91 HA SER 16 HA SER 16 1.347 -3.928 -1.084 92 HB2 SER 16 1HB SER 16 1.827 -2.677 -3.792 93 HB3 SER 16 2HB SER 16 2.471 -4.255 -3.338 94 HG SER 16 HG SER 16 -0.261 -3.750 -2.974 95 H GLU 17 H GLU 17 2.842 -0.853 -1.799 96 HA GLU 17 HA GLU 17 5.522 -1.455 -1.775 97 HB2 GLU 17 1HB GLU 17 3.931 0.906 -0.902 98 HB3 GLU 17 2HB GLU 17 5.625 0.847 -0.439 99 HG2 GLU 17 1HG GLU 17 5.503 2.067 -2.455 100 HG3 GLU 17 2HG GLU 17 6.179 0.489 -2.854 101 H CYS 18 H CYS 18 3.644 -0.496 1.106 102 HA CYS 18 HA CYS 18 5.674 -1.797 2.779 103 HB2 CYS 18 1HB CYS 18 4.720 -0.507 4.634 104 HB3 CYS 18 2HB CYS 18 5.182 0.550 3.303 105 H GLY 19 H GLY 19 2.185 -1.679 2.197 106 HA2 GLY 19 1HA GLY 19 1.063 -3.885 2.212 107 HA3 GLY 19 2HA GLY 19 1.955 -4.220 3.689 108 H LYS 20 H LYS 20 0.622 -1.063 3.133 109 HA LYS 20 HA LYS 20 -1.080 -1.377 5.461 110 HB2 LYS 20 1HB LYS 20 -0.210 0.952 3.779 111 HB3 LYS 20 2HB LYS 20 -1.564 1.117 4.889 112 HG2 LYS 20 1HG LYS 20 0.985 -0.014 5.921 113 HG3 LYS 20 2HG LYS 20 0.887 1.721 5.614 114 HD2 LYS 20 1HD LYS 20 -0.871 1.998 7.160 115 HD3 LYS 20 2HD LYS 20 -1.181 0.262 7.239 116 HE2 LYS 20 1HE LYS 20 -0.050 0.825 9.238 117 HE3 LYS 20 2HE LYS 20 1.135 0.018 8.213 118 HZ1 LYS 20 3HZ LYS 20 0.873 2.966 8.409 119 HZ2 LYS 20 1HZ LYS 20 2.110 2.094 7.652 120 HZ3 LYS 20 2HZ LYS 20 1.958 2.058 9.336 121 H ALA 21 H ALA 21 -3.312 -0.374 5.361 122 HA ALA 21 HA ALA 21 -4.635 -0.659 2.779 123 HB1 ALA 21 3HB ALA 21 -4.772 -2.899 3.643 124 HB2 ALA 21 1HB ALA 21 -5.377 -2.308 5.191 125 HB3 ALA 21 2HB ALA 21 -6.367 -2.152 3.739 126 H PHE 22 H PHE 22 -6.556 0.481 2.606 127 HA PHE 22 HA PHE 22 -7.514 1.912 4.973 128 HB2 PHE 22 1HB PHE 22 -6.942 3.300 2.349 129 HB3 PHE 22 2HB PHE 22 -7.523 4.045 3.834 130 HD1 PHE 22 HD2 PHE 22 -6.019 4.241 5.787 131 HD2 PHE 22 HD1 PHE 22 -4.640 2.862 2.004 132 HE1 PHE 22 HE2 PHE 22 -3.698 4.672 6.480 133 HE2 PHE 22 HE1 PHE 22 -2.317 3.290 2.691 134 HZ PHE 22 HZ PHE 22 -1.843 4.197 4.931 135 H HIS 23 H HIS 23 -9.633 2.957 4.605 136 HA HIS 23 HA HIS 23 -11.304 1.222 2.965 137 HB2 HIS 23 1HB HIS 23 -11.964 1.577 5.294 138 HB3 HIS 23 2HB HIS 23 -12.045 3.315 5.021 139 HD1 HIS 23 HD1 HIS 23 -13.558 0.417 3.065 140 HD2 HIS 23 HD2 HIS 23 -14.673 3.927 4.988 141 HE1 HIS 23 HE1 HIS 23 -16.029 0.651 2.659 142 H ARG 24 H ARG 24 -10.541 4.652 3.359 143 HA ARG 24 HA ARG 24 -12.105 5.264 0.953 144 HB2 ARG 24 1HB ARG 24 -10.938 7.041 3.098 145 HB3 ARG 24 2HB ARG 24 -11.709 7.653 1.641 146 HG2 ARG 24 1HG ARG 24 -13.761 6.358 2.325 147 HG3 ARG 24 2HG ARG 24 -12.963 6.086 3.876 148 HD2 ARG 24 1HD ARG 24 -12.819 8.476 4.253 149 HD3 ARG 24 2HD ARG 24 -13.516 8.792 2.664 150 HE ARG 24 HE ARG 24 -15.368 7.240 3.949 151 HH11 ARG 24 1HH1 ARG 24 -13.792 10.276 4.596 152 HH12 ARG 24 2HH1 ARG 24 -15.127 10.928 5.487 153 HH21 ARG 24 1HH2 ARG 24 -17.133 8.088 5.120 154 HH22 ARG 24 2HH2 ARG 24 -17.026 9.682 5.785 155 H HIS 25 H HIS 25 -11.046 5.285 -0.908 156 HA HIS 25 HA HIS 25 -8.440 4.932 -1.442 157 HB2 HIS 25 1HB HIS 25 -9.816 4.988 -3.322 158 HB3 HIS 25 2HB HIS 25 -10.508 6.549 -2.892 159 HD1 HIS 25 HD1 HIS 25 -9.078 8.668 -3.453 160 HD2 HIS 25 HD2 HIS 25 -7.509 5.086 -4.856 161 HE1 HIS 25 HE1 HIS 25 -7.311 9.315 -5.121 162 H THR 26 H THR 26 -9.923 8.130 -0.958 163 HA THR 26 HA THR 26 -7.855 9.822 -1.368 164 HB THR 26 HB THR 26 -8.732 11.161 0.638 165 HG1 THR 26 HG1 THR 26 -10.943 10.258 1.181 166 HG21 THR 26 3HG2 THR 26 -10.794 11.761 -0.535 167 HG22 THR 26 1HG2 THR 26 -10.682 10.289 -1.499 168 HG23 THR 26 2HG2 THR 26 -9.462 11.551 -1.671 169 H HIS 27 H HIS 27 -8.445 8.135 1.718 170 HA HIS 27 HA HIS 27 -6.272 9.047 3.145 171 HB2 HIS 27 1HB HIS 27 -7.609 6.339 3.189 172 HB3 HIS 27 2HB HIS 27 -6.397 6.836 4.366 173 HD1 HIS 27 HD1 HIS 27 -8.342 6.496 6.152 174 HD2 HIS 27 HD2 HIS 27 -8.883 9.621 3.467 175 HE1 HIS 27 HE1 HIS 27 -10.144 7.938 7.152 176 H LEU 28 H LEU 28 -6.403 6.089 1.157 177 HA LEU 28 HA LEU 28 -3.812 5.224 1.453 178 HB2 LEU 28 1HB LEU 28 -5.327 3.852 0.281 179 HB3 LEU 28 2HB LEU 28 -5.675 5.113 -0.900 180 HG LEU 28 HG LEU 28 -3.252 4.840 -1.656 181 HD11 LEU 28 1HD1 LEU 28 -1.930 3.365 -0.662 182 HD12 LEU 28 2HD1 LEU 28 -3.119 2.081 -0.877 183 HD13 LEU 28 3HD1 LEU 28 -3.187 3.116 0.549 184 HD21 LEU 28 3HD2 LEU 28 -4.598 2.286 -2.219 185 HD22 LEU 28 1HD2 LEU 28 -4.005 3.528 -3.321 186 HD23 LEU 28 2HD2 LEU 28 -5.562 3.733 -2.519 187 H ASN 29 H ASN 29 -4.907 7.097 -1.381 188 HA ASN 29 HA ASN 29 -2.569 7.694 -2.570 189 HB2 ASN 29 1HB ASN 29 -4.689 8.502 -3.440 190 HB3 ASN 29 2HB ASN 29 -4.852 9.620 -2.090 191 HD21 ASN 29 1HD2 ASN 29 -5.118 10.940 -4.194 192 HD22 ASN 29 2HD2 ASN 29 -3.686 11.733 -4.746 193 H GLU 30 H GLU 30 -3.963 9.705 0.028 194 HA GLU 30 HA GLU 30 -1.841 11.476 0.304 195 HB2 GLU 30 1HB GLU 30 -4.231 11.348 1.442 196 HB3 GLU 30 2HB GLU 30 -3.317 10.600 2.745 197 HG2 GLU 30 1HG GLU 30 -1.781 12.641 2.581 198 HG3 GLU 30 2HG GLU 30 -3.081 13.372 1.642 199 H HIS 31 H HIS 31 -2.383 8.348 1.876 200 HA HIS 31 HA HIS 31 -0.199 8.398 3.622 201 HB2 HIS 31 1HB HIS 31 -1.662 6.672 4.088 202 HB3 HIS 31 2HB HIS 31 -1.856 6.237 2.392 203 HD1 HIS 31 HD1 HIS 31 0.272 5.591 5.377 204 HD2 HIS 31 HD2 HIS 31 0.106 4.487 1.376 205 HE1 HIS 31 HE1 HIS 31 1.855 3.651 5.149 206 H ARG 32 H ARG 32 -0.449 7.086 0.325 207 HA ARG 32 HA ARG 32 2.028 5.991 -0.006 208 HB2 ARG 32 1HB ARG 32 0.566 7.687 -2.038 209 HB3 ARG 32 2HB ARG 32 1.833 6.519 -2.393 210 HG2 ARG 32 1HG ARG 32 0.370 4.741 -1.451 211 HG3 ARG 32 2HG ARG 32 -0.910 5.946 -1.299 212 HD2 ARG 32 1HD ARG 32 0.440 5.046 -3.840 213 HD3 ARG 32 2HD ARG 32 -1.214 4.695 -3.341 214 HE ARG 32 HE ARG 32 -0.624 7.504 -3.544 215 HH11 ARG 32 1HH1 ARG 32 -1.679 4.658 -5.250 216 HH12 ARG 32 2HH1 ARG 32 -2.511 5.547 -6.483 217 HH21 ARG 32 1HH2 ARG 32 -1.716 8.685 -5.161 218 HH22 ARG 32 2HH2 ARG 32 -2.530 7.837 -6.432 219 H ARG 33 H ARG 33 1.278 9.301 0.495 220 HA ARG 33 HA ARG 33 3.326 10.663 -0.736 221 HB2 ARG 33 1HB ARG 33 2.019 11.114 1.944 222 HB3 ARG 33 2HB ARG 33 3.188 12.237 1.261 223 HG2 ARG 33 1HG ARG 33 1.756 12.660 -0.625 224 HG3 ARG 33 2HG ARG 33 0.618 11.426 -0.080 225 HD2 ARG 33 1HD ARG 33 -0.127 13.712 0.464 226 HD3 ARG 33 2HD ARG 33 0.109 12.714 1.899 227 HE ARG 33 HE ARG 33 2.465 13.957 1.724 228 HH11 ARG 33 1HH1 ARG 33 -0.791 15.170 1.495 229 HH12 ARG 33 2HH1 ARG 33 -0.393 16.731 2.132 230 HH21 ARG 33 1HH2 ARG 33 3.001 16.009 2.564 231 HH22 ARG 33 2HH2 ARG 33 1.764 17.208 2.739 232 H ILE 34 H ILE 34 3.409 8.948 2.363 233 HA ILE 34 HA ILE 34 5.995 9.660 3.146 234 HB ILE 34 HB ILE 34 5.962 7.751 4.617 235 HG12 ILE 34 1HG1 ILE 34 3.391 6.739 3.489 236 HG13 ILE 34 2HG1 ILE 34 4.884 6.320 2.657 237 HG21 ILE 34 1HG2 ILE 34 4.635 9.161 5.744 238 HG22 ILE 34 2HG2 ILE 34 3.643 9.510 4.329 239 HG23 ILE 34 3HG2 ILE 34 3.337 8.060 5.284 240 HD11 ILE 34 3HD1 ILE 34 4.422 5.823 5.584 241 HD12 ILE 34 1HD1 ILE 34 4.078 4.642 4.320 242 HD13 ILE 34 2HD1 ILE 34 5.730 5.207 4.574 243 H HIS 35 H HIS 35 4.917 7.542 0.667 244 HA HIS 35 HA HIS 35 7.456 6.130 0.494 245 HB2 HIS 35 1HB HIS 35 4.880 5.937 -1.065 246 HB3 HIS 35 2HB HIS 35 6.330 5.042 -1.513 247 HD1 HIS 35 HD1 HIS 35 7.190 3.270 0.294 248 HD2 HIS 35 HD2 HIS 35 3.376 4.796 0.918 249 HE1 HIS 35 HE1 HIS 35 6.099 1.704 1.932 250 H THR 36 H THR 36 5.931 8.896 -0.821 251 HA THR 36 HA THR 36 7.974 9.061 -2.940 252 HB THR 36 HB THR 36 5.917 9.116 -4.061 253 HG1 THR 36 HG1 THR 36 6.182 11.890 -3.666 254 HG21 THR 36 3HG2 THR 36 4.021 10.545 -3.355 255 HG22 THR 36 1HG2 THR 36 4.928 10.993 -1.911 256 HG23 THR 36 2HG2 THR 36 4.432 9.318 -2.158 257 H GLY 37 H GLY 37 9.558 10.450 -2.537 258 HA2 GLY 37 1HA GLY 37 9.702 13.025 -2.198 259 HA3 GLY 37 2HA GLY 37 9.088 12.611 -0.604 260 H TYR 38 H TYR 38 11.495 10.972 -2.638 261 HA TYR 38 HA TYR 38 13.270 10.724 -0.381 262 HB2 TYR 38 1HB TYR 38 14.738 9.528 -1.998 263 HB3 TYR 38 2HB TYR 38 13.109 8.866 -1.920 264 HD1 TYR 38 HD1 TYR 38 14.937 11.502 -3.851 265 HD2 TYR 38 HD2 TYR 38 12.166 8.275 -3.932 266 HE1 TYR 38 HE1 TYR 38 14.725 11.754 -6.288 267 HE2 TYR 38 HE2 TYR 38 11.947 8.517 -6.370 268 HH TYR 38 HH TYR 38 12.828 11.149 -8.042 269 H ARG 39 H ARG 39 15.590 11.311 -0.574 270 HA ARG 39 HA ARG 39 15.870 14.077 -1.087 271 HB2 ARG 39 1HB ARG 39 17.194 12.450 0.509 272 HB3 ARG 39 2HB ARG 39 18.253 12.283 -0.885 273 HG2 ARG 39 1HG ARG 39 18.769 14.601 -0.875 274 HG3 ARG 39 2HG ARG 39 17.510 14.937 0.314 275 HD2 ARG 39 1HD ARG 39 19.634 14.948 1.427 276 HD3 ARG 39 2HD ARG 39 18.741 13.515 1.935 277 HE ARG 39 HE ARG 39 20.280 12.686 -0.175 278 HH11 ARG 39 1HH1 ARG 39 20.878 14.180 2.913 279 HH12 ARG 39 2HH1 ARG 39 22.441 13.459 3.106 280 HH21 ARG 39 1HH2 ARG 39 22.337 11.731 0.068 281 HH22 ARG 39 2HH2 ARG 39 23.271 12.067 1.487 282 HA PRO 40 HA PRO 40 16.830 14.089 -5.389 283 HB2 PRO 40 1HB PRO 40 18.066 16.503 -5.518 284 HB3 PRO 40 2HB PRO 40 16.316 16.328 -5.336 285 HG2 PRO 40 1HG PRO 40 18.391 16.890 -3.252 286 HG3 PRO 40 2HG PRO 40 16.791 17.624 -3.465 287 HD2 PRO 40 1HD PRO 40 17.272 15.683 -1.639 288 HD3 PRO 40 2HD PRO 40 15.707 15.857 -2.458 289 H SER 41 H SER 41 18.716 14.399 -6.863 290 HA SER 41 HA SER 41 21.069 13.151 -5.683 291 HB2 SER 41 1HB SER 41 21.776 12.793 -8.023 292 HB3 SER 41 2HB SER 41 20.152 12.170 -7.731 293 HG SER 41 HG SER 41 20.240 13.366 -9.665 294 H GLY 42 H GLY 42 22.377 14.603 -4.727 295 HA2 GLY 42 1HA GLY 42 24.295 16.030 -5.223 296 HA3 GLY 42 2HA GLY 42 23.282 16.872 -6.386 297 HA PRO 43 HA PRO 43 22.497 19.901 -3.303 298 HB2 PRO 43 1HB PRO 43 20.201 20.954 -4.296 299 HB3 PRO 43 2HB PRO 43 21.785 21.251 -5.020 300 HG2 PRO 43 1HG PRO 43 19.662 19.308 -5.842 301 HG3 PRO 43 2HG PRO 43 20.661 20.367 -6.854 302 HD2 PRO 43 1HD PRO 43 21.198 17.733 -6.529 303 HD3 PRO 43 2HD PRO 43 22.473 18.944 -6.775 304 H SER 44 H SER 44 22.033 18.770 -1.431 305 HA SER 44 HA SER 44 19.763 17.219 -0.944 306 HB2 SER 44 1HB SER 44 20.377 17.270 1.354 307 HB3 SER 44 2HB SER 44 21.890 17.361 0.452 308 HG SER 44 HG SER 44 20.494 19.602 1.494 309 H SER 45 H SER 45 18.015 17.723 0.629 310 HA SER 45 HA SER 45 17.032 20.472 0.222 311 HB2 SER 45 1HB SER 45 15.805 18.439 -0.856 312 HB3 SER 45 2HB SER 45 15.210 18.149 0.778 313 HG SER 45 HG SER 45 13.743 19.468 -0.231 314 H GLY 46 H GLY 46 16.444 17.711 2.412 315 HA2 GLY 46 1HA GLY 46 17.153 19.228 4.734 316 HA3 GLY 46 2HA GLY 46 15.411 19.077 4.560 Start of MODEL 11 1 H1 GLY 1 H GLY 1 9.981 -24.591 -3.458 2 HA2 GLY 1 1HA GLY 1 9.163 -22.570 -4.520 3 HA3 GLY 1 2HA GLY 1 8.136 -23.581 -5.526 4 H SER 2 H SER 2 8.238 -21.620 -2.830 5 HA SER 2 HA SER 2 5.595 -22.584 -1.982 6 HB2 SER 2 1HB SER 2 6.226 -22.054 0.385 7 HB3 SER 2 2HB SER 2 7.121 -23.410 -0.302 8 HG SER 2 HG SER 2 8.647 -22.162 0.628 9 H SER 3 H SER 3 4.104 -21.028 -1.775 10 HA SER 3 HA SER 3 4.754 -18.353 -2.548 11 HB2 SER 3 1HB SER 3 2.561 -19.702 -2.961 12 HB3 SER 3 2HB SER 3 2.109 -19.133 -1.354 13 HG SER 3 HG SER 3 1.369 -17.630 -2.795 14 H GLY 4 H GLY 4 4.777 -16.492 -1.336 15 HA2 GLY 4 1HA GLY 4 5.155 -16.887 1.534 16 HA3 GLY 4 2HA GLY 4 5.597 -15.456 0.615 17 H SER 5 H SER 5 2.491 -17.164 0.803 18 HA SER 5 HA SER 5 0.837 -14.999 0.768 19 HB2 SER 5 1HB SER 5 -0.833 -16.396 1.952 20 HB3 SER 5 2HB SER 5 -0.006 -17.288 0.675 21 HG SER 5 HG SER 5 0.160 -18.649 2.326 22 H SER 6 H SER 6 -0.162 -13.670 2.291 23 HA SER 6 HA SER 6 1.022 -13.658 4.983 24 HB2 SER 6 1HB SER 6 0.762 -11.351 3.062 25 HB3 SER 6 2HB SER 6 0.889 -11.093 4.802 26 HG SER 6 HG SER 6 2.774 -12.232 3.038 27 H GLY 7 H GLY 7 -1.614 -12.514 2.905 28 HA2 GLY 7 1HA GLY 7 -3.894 -13.023 3.644 29 HA3 GLY 7 2HA GLY 7 -3.377 -12.617 5.274 30 H SER 8 H SER 8 -4.862 -11.009 5.636 31 HA SER 8 HA SER 8 -5.942 -9.000 5.411 32 HB2 SER 8 1HB SER 8 -4.347 -7.078 5.120 33 HB3 SER 8 2HB SER 8 -3.871 -8.228 6.370 34 HG SER 8 HG SER 8 -2.341 -9.067 5.002 35 H GLY 9 H GLY 9 -6.260 -10.546 3.116 36 HA2 GLY 9 1HA GLY 9 -5.988 -8.583 0.931 37 HA3 GLY 9 2HA GLY 9 -6.134 -10.319 0.706 38 H GLU 10 H GLU 10 -7.965 -7.715 2.321 39 HA GLU 10 HA GLU 10 -10.392 -8.788 1.038 40 HB2 GLU 10 1HB GLU 10 -9.924 -7.892 3.855 41 HB3 GLU 10 2HB GLU 10 -11.520 -7.703 3.145 42 HG2 GLU 10 1HG GLU 10 -11.168 -10.233 2.511 43 HG3 GLU 10 2HG GLU 10 -10.043 -10.175 3.867 44 H LYS 11 H LYS 11 -8.824 -5.913 2.388 45 HA LYS 11 HA LYS 11 -10.738 -4.069 1.378 46 HB2 LYS 11 1HB LYS 11 -7.969 -3.829 2.506 47 HB3 LYS 11 2HB LYS 11 -8.739 -2.434 1.761 48 HG2 LYS 11 1HG LYS 11 -10.040 -4.012 3.960 49 HG3 LYS 11 2HG LYS 11 -8.958 -2.652 4.270 50 HD2 LYS 11 1HD LYS 11 -10.414 -1.172 3.015 51 HD3 LYS 11 2HD LYS 11 -11.467 -2.526 2.596 52 HE2 LYS 11 1HE LYS 11 -12.529 -1.421 4.387 53 HE3 LYS 11 2HE LYS 11 -11.790 -2.861 5.087 54 HZ1 LYS 11 3HZ LYS 11 -9.826 -1.150 5.453 55 HZ2 LYS 11 1HZ LYS 11 -11.079 -1.333 6.575 56 HZ3 LYS 11 2HZ LYS 11 -11.111 -0.051 5.472 57 HA PRO 12 HA PRO 12 -9.512 -3.856 -2.850 58 HB2 PRO 12 1HB PRO 12 -10.552 -1.422 -3.454 59 HB3 PRO 12 2HB PRO 12 -11.549 -2.864 -3.229 60 HG2 PRO 12 1HG PRO 12 -10.973 -0.642 -1.308 61 HG3 PRO 12 2HG PRO 12 -12.511 -1.456 -1.648 62 HD2 PRO 12 1HD PRO 12 -10.996 -2.049 0.516 63 HD3 PRO 12 2HD PRO 12 -11.996 -3.261 -0.311 64 H TYR 13 H TYR 13 -8.868 -1.081 -0.742 65 HA TYR 13 HA TYR 13 -6.619 -0.307 -2.456 66 HB2 TYR 13 1HB TYR 13 -7.833 1.186 -0.123 67 HB3 TYR 13 2HB TYR 13 -6.617 1.801 -1.236 68 HD1 TYR 13 HD1 TYR 13 -7.225 2.368 -3.550 69 HD2 TYR 13 HD2 TYR 13 -10.156 1.101 -0.738 70 HE1 TYR 13 HE1 TYR 13 -8.999 3.226 -5.022 71 HE2 TYR 13 HE2 TYR 13 -11.938 1.955 -2.202 72 HH TYR 13 HH TYR 13 -11.456 2.765 -5.406 73 H LYS 14 H LYS 14 -4.959 -1.640 -1.929 74 HA LYS 14 HA LYS 14 -4.058 -1.574 0.876 75 HB2 LYS 14 1HB LYS 14 -4.943 -3.805 0.211 76 HB3 LYS 14 2HB LYS 14 -3.722 -3.879 -1.052 77 HG2 LYS 14 1HG LYS 14 -2.105 -3.443 0.999 78 HG3 LYS 14 2HG LYS 14 -3.442 -4.183 1.883 79 HD2 LYS 14 1HD LYS 14 -3.357 -6.066 0.213 80 HD3 LYS 14 2HD LYS 14 -1.858 -5.360 -0.394 81 HE2 LYS 14 1HE LYS 14 -1.059 -6.902 1.118 82 HE3 LYS 14 2HE LYS 14 -1.136 -5.447 2.110 83 HZ1 LYS 14 3HZ LYS 14 -3.285 -7.490 2.008 84 HZ2 LYS 14 1HZ LYS 14 -3.168 -6.183 3.075 85 HZ3 LYS 14 2HZ LYS 14 -2.067 -7.462 3.182 86 H CYS 15 H CYS 15 -2.083 -0.776 1.176 87 HA CYS 15 HA CYS 15 -0.507 0.050 -1.081 88 HB2 CYS 15 1HB CYS 15 -0.730 1.422 0.980 89 HB3 CYS 15 2HB CYS 15 0.160 0.188 1.866 90 H SER 16 H SER 16 0.693 -1.376 -2.148 91 HA SER 16 HA SER 16 1.670 -3.785 -0.952 92 HB2 SER 16 1HB SER 16 1.003 -3.459 -3.396 93 HB3 SER 16 2HB SER 16 2.552 -2.643 -3.604 94 HG SER 16 HG SER 16 2.803 -4.810 -4.108 95 H GLU 17 H GLU 17 2.994 -0.628 -1.658 96 HA GLU 17 HA GLU 17 5.702 -1.066 -1.584 97 HB2 GLU 17 1HB GLU 17 4.153 1.217 -0.350 98 HB3 GLU 17 2HB GLU 17 5.893 1.220 -0.603 99 HG2 GLU 17 1HG GLU 17 5.089 2.396 -2.422 100 HG3 GLU 17 2HG GLU 17 5.326 0.774 -3.068 101 H CYS 18 H CYS 18 3.708 -0.251 1.263 102 HA CYS 18 HA CYS 18 5.795 -1.402 2.974 103 HB2 CYS 18 1HB CYS 18 4.687 -0.205 4.815 104 HB3 CYS 18 2HB CYS 18 5.125 0.891 3.508 105 H GLY 19 H GLY 19 2.366 -1.627 2.195 106 HA2 GLY 19 1HA GLY 19 1.319 -3.810 2.220 107 HA3 GLY 19 2HA GLY 19 2.311 -4.212 3.614 108 H LYS 20 H LYS 20 0.231 -1.419 2.875 109 HA LYS 20 HA LYS 20 -1.201 -1.959 5.393 110 HB2 LYS 20 1HB LYS 20 -0.296 0.581 4.107 111 HB3 LYS 20 2HB LYS 20 -1.762 0.604 5.078 112 HG2 LYS 20 1HG LYS 20 -0.400 -0.441 6.931 113 HG3 LYS 20 2HG LYS 20 1.026 -0.089 5.951 114 HD2 LYS 20 1HD LYS 20 0.668 2.237 6.081 115 HD3 LYS 20 2HD LYS 20 -0.982 2.029 6.673 116 HE2 LYS 20 1HE LYS 20 1.507 1.229 8.177 117 HE3 LYS 20 2HE LYS 20 0.614 2.726 8.435 118 HZ1 LYS 20 3HZ LYS 20 -1.367 1.244 8.881 119 HZ2 LYS 20 1HZ LYS 20 -0.152 1.247 10.059 120 HZ3 LYS 20 2HZ LYS 20 -0.274 -0.044 8.973 121 H ALA 21 H ALA 21 -3.419 -0.661 5.307 122 HA ALA 21 HA ALA 21 -4.703 -0.858 2.706 123 HB1 ALA 21 3HB ALA 21 -5.314 -2.686 4.993 124 HB2 ALA 21 1HB ALA 21 -6.578 -2.234 3.849 125 HB3 ALA 21 2HB ALA 21 -5.127 -3.060 3.280 126 H PHE 22 H PHE 22 -6.533 0.399 2.516 127 HA PHE 22 HA PHE 22 -7.435 1.831 4.918 128 HB2 PHE 22 1HB PHE 22 -6.843 3.118 2.244 129 HB3 PHE 22 2HB PHE 22 -7.510 3.935 3.653 130 HD1 PHE 22 HD2 PHE 22 -6.120 4.412 5.591 131 HD2 PHE 22 HD1 PHE 22 -4.514 2.545 2.119 132 HE1 PHE 22 HE2 PHE 22 -3.844 4.915 6.377 133 HE2 PHE 22 HE1 PHE 22 -2.235 3.045 2.900 134 HZ PHE 22 HZ PHE 22 -1.898 4.233 5.031 135 H HIS 23 H HIS 23 -9.534 2.975 4.551 136 HA HIS 23 HA HIS 23 -11.316 1.212 3.061 137 HB2 HIS 23 1HB HIS 23 -12.195 1.515 5.182 138 HB3 HIS 23 2HB HIS 23 -11.668 3.193 5.275 139 HD1 HIS 23 HD1 HIS 23 -13.897 1.553 2.669 140 HD2 HIS 23 HD2 HIS 23 -14.002 4.548 5.546 141 HE1 HIS 23 HE1 HIS 23 -16.137 2.664 2.402 142 H ARG 24 H ARG 24 -10.299 4.578 3.174 143 HA ARG 24 HA ARG 24 -11.903 5.100 0.761 144 HB2 ARG 24 1HB ARG 24 -10.975 6.893 2.987 145 HB3 ARG 24 2HB ARG 24 -11.430 7.555 1.423 146 HG2 ARG 24 1HG ARG 24 -13.264 5.768 2.985 147 HG3 ARG 24 2HG ARG 24 -13.207 7.514 3.236 148 HD2 ARG 24 1HD ARG 24 -13.568 6.367 0.493 149 HD3 ARG 24 2HD ARG 24 -14.941 6.538 1.586 150 HE ARG 24 HE ARG 24 -13.431 8.952 1.342 151 HH11 ARG 24 1HH1 ARG 24 -15.882 6.994 -0.168 152 HH12 ARG 24 2HH1 ARG 24 -16.616 8.325 -1.001 153 HH21 ARG 24 1HH2 ARG 24 -14.389 10.711 0.251 154 HH22 ARG 24 2HH2 ARG 24 -15.765 10.438 -0.762 155 H HIS 25 H HIS 25 -10.924 5.757 -1.079 156 HA HIS 25 HA HIS 25 -8.202 5.257 -1.485 157 HB2 HIS 25 1HB HIS 25 -9.520 5.141 -3.412 158 HB3 HIS 25 2HB HIS 25 -10.304 6.684 -3.085 159 HD1 HIS 25 HD1 HIS 25 -8.880 8.850 -3.607 160 HD2 HIS 25 HD2 HIS 25 -7.240 5.277 -4.949 161 HE1 HIS 25 HE1 HIS 25 -7.102 9.506 -5.260 162 H THR 26 H THR 26 -9.875 8.119 -0.457 163 HA THR 26 HA THR 26 -7.937 10.053 -1.089 164 HB THR 26 HB THR 26 -9.001 11.180 1.072 165 HG1 THR 26 HG1 THR 26 -10.070 9.114 1.587 166 HG21 THR 26 3HG2 THR 26 -10.586 10.717 -1.457 167 HG22 THR 26 1HG2 THR 26 -9.293 11.902 -1.276 168 HG23 THR 26 2HG2 THR 26 -10.773 12.061 -0.331 169 H HIS 27 H HIS 27 -8.135 7.712 1.473 170 HA HIS 27 HA HIS 27 -6.120 8.969 3.108 171 HB2 HIS 27 1HB HIS 27 -7.754 6.484 3.250 172 HB3 HIS 27 2HB HIS 27 -6.239 6.513 4.148 173 HD1 HIS 27 HD1 HIS 27 -7.608 6.442 6.371 174 HD2 HIS 27 HD2 HIS 27 -8.244 9.826 4.046 175 HE1 HIS 27 HE1 HIS 27 -8.780 8.081 7.876 176 H LEU 28 H LEU 28 -6.290 6.106 1.009 177 HA LEU 28 HA LEU 28 -3.646 5.250 1.360 178 HB2 LEU 28 1HB LEU 28 -5.302 3.823 0.355 179 HB3 LEU 28 2HB LEU 28 -5.511 4.946 -0.987 180 HG LEU 28 HG LEU 28 -2.934 4.413 -1.340 181 HD11 LEU 28 1HD1 LEU 28 -2.525 2.015 -0.895 182 HD12 LEU 28 2HD1 LEU 28 -4.014 1.966 0.049 183 HD13 LEU 28 3HD1 LEU 28 -2.670 2.979 0.574 184 HD21 LEU 28 3HD2 LEU 28 -4.215 2.181 -2.477 185 HD22 LEU 28 1HD2 LEU 28 -3.866 3.735 -3.235 186 HD23 LEU 28 2HD2 LEU 28 -5.412 3.477 -2.425 187 H ASN 29 H ASN 29 -5.062 7.331 -1.155 188 HA ASN 29 HA ASN 29 -2.773 7.786 -2.655 189 HB2 ASN 29 1HB ASN 29 -5.047 8.484 -3.334 190 HB3 ASN 29 2HB ASN 29 -5.012 9.748 -2.108 191 HD21 ASN 29 1HD2 ASN 29 -5.514 10.773 -4.366 192 HD22 ASN 29 2HD2 ASN 29 -4.142 11.473 -5.149 193 H GLU 30 H GLU 30 -3.964 9.514 0.201 194 HA GLU 30 HA GLU 30 -1.831 11.417 0.208 195 HB2 GLU 30 1HB GLU 30 -3.780 12.165 1.268 196 HB3 GLU 30 2HB GLU 30 -3.986 10.662 2.157 197 HG2 GLU 30 1HG GLU 30 -2.456 11.236 3.763 198 HG3 GLU 30 2HG GLU 30 -1.588 12.340 2.696 199 H HIS 31 H HIS 31 -2.333 8.252 1.565 200 HA HIS 31 HA HIS 31 -0.280 8.342 3.519 201 HB2 HIS 31 1HB HIS 31 -1.769 6.609 3.896 202 HB3 HIS 31 2HB HIS 31 -1.854 6.171 2.192 203 HD1 HIS 31 HD1 HIS 31 0.358 5.771 5.217 204 HD2 HIS 31 HD2 HIS 31 -0.082 4.219 1.389 205 HE1 HIS 31 HE1 HIS 31 1.904 3.791 5.113 206 H ARG 32 H ARG 32 -0.371 6.885 0.265 207 HA ARG 32 HA ARG 32 2.172 5.911 0.077 208 HB2 ARG 32 1HB ARG 32 0.492 7.284 -2.020 209 HB3 ARG 32 2HB ARG 32 2.018 6.492 -2.391 210 HG2 ARG 32 1HG ARG 32 1.128 4.371 -1.597 211 HG3 ARG 32 2HG ARG 32 -0.396 5.158 -1.182 212 HD2 ARG 32 1HD ARG 32 -0.678 4.068 -3.290 213 HD3 ARG 32 2HD ARG 32 -0.629 5.806 -3.579 214 HE ARG 32 HE ARG 32 1.320 3.839 -4.422 215 HH11 ARG 32 1HH1 ARG 32 0.603 7.207 -3.912 216 HH12 ARG 32 2HH1 ARG 32 1.836 7.768 -4.994 217 HH21 ARG 32 1HH2 ARG 32 2.946 4.564 -5.848 218 HH22 ARG 32 2HH2 ARG 32 3.167 6.263 -6.095 219 H ARG 33 H ARG 33 1.228 9.197 0.340 220 HA ARG 33 HA ARG 33 3.262 10.570 -0.928 221 HB2 ARG 33 1HB ARG 33 1.859 11.202 1.672 222 HB3 ARG 33 2HB ARG 33 2.908 12.331 0.826 223 HG2 ARG 33 1HG ARG 33 1.418 12.278 -1.106 224 HG3 ARG 33 2HG ARG 33 0.368 11.135 -0.265 225 HD2 ARG 33 1HD ARG 33 -0.709 13.106 0.192 226 HD3 ARG 33 2HD ARG 33 0.363 12.994 1.588 227 HE ARG 33 HE ARG 33 1.666 14.407 -0.459 228 HH11 ARG 33 1HH1 ARG 33 -0.985 14.751 1.771 229 HH12 ARG 33 2HH1 ARG 33 -0.862 16.478 1.854 230 HH21 ARG 33 1HH2 ARG 33 1.838 16.680 -0.359 231 HH22 ARG 33 2HH2 ARG 33 0.744 17.573 0.641 232 H ILE 34 H ILE 34 3.307 8.876 2.145 233 HA ILE 34 HA ILE 34 5.767 9.879 3.098 234 HB ILE 34 HB ILE 34 5.776 8.038 4.649 235 HG12 ILE 34 1HG1 ILE 34 3.372 6.775 3.412 236 HG13 ILE 34 2HG1 ILE 34 4.944 6.449 2.689 237 HG21 ILE 34 1HG2 ILE 34 3.282 8.164 5.389 238 HG22 ILE 34 2HG2 ILE 34 4.281 9.616 5.416 239 HG23 ILE 34 3HG2 ILE 34 3.152 9.347 4.088 240 HD11 ILE 34 3HD1 ILE 34 3.899 5.695 5.373 241 HD12 ILE 34 1HD1 ILE 34 4.731 4.711 4.169 242 HD13 ILE 34 2HD1 ILE 34 5.636 5.880 5.131 243 H HIS 35 H HIS 35 4.973 7.489 0.727 244 HA HIS 35 HA HIS 35 7.559 6.215 0.757 245 HB2 HIS 35 1HB HIS 35 5.207 6.024 -1.128 246 HB3 HIS 35 2HB HIS 35 6.696 5.110 -1.346 247 HD1 HIS 35 HD1 HIS 35 6.970 3.004 0.010 248 HD2 HIS 35 HD2 HIS 35 3.706 5.278 1.209 249 HE1 HIS 35 HE1 HIS 35 5.706 1.561 1.636 250 H THR 36 H THR 36 6.264 9.049 -0.567 251 HA THR 36 HA THR 36 8.531 9.253 -2.442 252 HB THR 36 HB THR 36 6.152 9.165 -3.446 253 HG1 THR 36 HG1 THR 36 7.950 9.835 -4.659 254 HG21 THR 36 3HG2 THR 36 5.165 10.766 -1.834 255 HG22 THR 36 1HG2 THR 36 4.952 11.267 -3.511 256 HG23 THR 36 2HG2 THR 36 6.184 12.036 -2.511 257 H GLY 37 H GLY 37 9.801 11.036 -2.317 258 HA2 GLY 37 1HA GLY 37 9.026 13.069 -0.315 259 HA3 GLY 37 2HA GLY 37 10.678 12.515 -0.539 260 H TYR 38 H TYR 38 11.933 13.849 -1.641 261 HA TYR 38 HA TYR 38 10.690 15.882 -3.337 262 HB2 TYR 38 1HB TYR 38 12.914 16.982 -3.248 263 HB3 TYR 38 2HB TYR 38 12.217 16.723 -1.653 264 HD1 TYR 38 HD1 TYR 38 14.420 14.885 -4.059 265 HD2 TYR 38 HD2 TYR 38 13.659 15.983 -0.019 266 HE1 TYR 38 HE1 TYR 38 16.468 13.716 -3.362 267 HE2 TYR 38 HE2 TYR 38 15.705 14.818 0.689 268 HH TYR 38 HH TYR 38 17.719 13.057 -1.645 269 H ARG 39 H ARG 39 12.293 16.554 -5.219 270 HA ARG 39 HA ARG 39 12.468 14.211 -6.922 271 HB2 ARG 39 1HB ARG 39 13.227 16.094 -8.592 272 HB3 ARG 39 2HB ARG 39 11.537 15.934 -8.132 273 HG2 ARG 39 1HG ARG 39 13.295 17.739 -6.547 274 HG3 ARG 39 2HG ARG 39 12.718 18.266 -8.129 275 HD2 ARG 39 1HD ARG 39 10.755 17.115 -6.213 276 HD3 ARG 39 2HD ARG 39 11.348 18.750 -5.924 277 HE ARG 39 HE ARG 39 10.386 18.239 -8.604 278 HH11 ARG 39 1HH1 ARG 39 9.626 19.368 -5.399 279 HH12 ARG 39 2HH1 ARG 39 8.252 20.292 -5.909 280 HH21 ARG 39 1HH2 ARG 39 8.579 19.452 -9.288 281 HH22 ARG 39 2HH2 ARG 39 7.657 20.339 -8.121 282 HA PRO 40 HA PRO 40 16.802 13.593 -6.490 283 HB2 PRO 40 1HB PRO 40 17.318 12.388 -8.867 284 HB3 PRO 40 2HB PRO 40 16.471 11.579 -7.544 285 HG2 PRO 40 1HG PRO 40 15.349 12.894 -9.989 286 HG3 PRO 40 2HG PRO 40 14.890 11.356 -9.235 287 HD2 PRO 40 1HD PRO 40 13.471 13.635 -8.877 288 HD3 PRO 40 2HD PRO 40 13.604 12.386 -7.623 289 H SER 41 H SER 41 18.801 14.391 -7.180 290 HA SER 41 HA SER 41 18.631 16.601 -9.117 291 HB2 SER 41 1HB SER 41 19.209 17.355 -6.875 292 HB3 SER 41 2HB SER 41 20.534 16.194 -6.797 293 HG SER 41 HG SER 41 21.610 17.878 -7.509 294 H GLY 42 H GLY 42 19.367 15.983 -11.045 295 HA2 GLY 42 1HA GLY 42 21.858 15.597 -11.859 296 HA3 GLY 42 2HA GLY 42 21.498 13.996 -11.228 297 HA PRO 43 HA PRO 43 20.308 14.069 -15.702 298 HB2 PRO 43 1HB PRO 43 21.435 11.668 -16.278 299 HB3 PRO 43 2HB PRO 43 22.337 13.187 -16.322 300 HG2 PRO 43 1HG PRO 43 22.236 11.105 -14.173 301 HG3 PRO 43 2HG PRO 43 23.635 11.988 -14.811 302 HD2 PRO 43 1HD PRO 43 22.423 12.663 -12.485 303 HD3 PRO 43 2HD PRO 43 23.187 13.863 -13.548 304 H SER 44 H SER 44 19.182 12.224 -16.926 305 HA SER 44 HA SER 44 16.972 11.352 -15.351 306 HB2 SER 44 1HB SER 44 16.194 10.290 -17.456 307 HB3 SER 44 2HB SER 44 16.652 11.978 -17.684 308 HG SER 44 HG SER 44 18.007 11.298 -19.122 309 H SER 45 H SER 45 19.570 9.620 -17.059 310 HA SER 45 HA SER 45 18.832 7.035 -16.289 311 HB2 SER 45 1HB SER 45 21.356 8.305 -17.253 312 HB3 SER 45 2HB SER 45 21.450 6.681 -16.572 313 HG SER 45 HG SER 45 20.751 6.014 -18.426 314 H GLY 46 H GLY 46 18.232 7.089 -14.096 315 HA2 GLY 46 1HA GLY 46 19.770 6.061 -12.199 316 HA3 GLY 46 2HA GLY 46 20.286 7.740 -12.126 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -18.980 -29.948 -4.424 2 HA2 GLY 1 1HA GLY 1 -18.689 -27.904 -5.901 3 HA3 GLY 1 2HA GLY 1 -20.069 -27.269 -5.017 4 H SER 2 H SER 2 -18.910 -25.498 -4.238 5 HA SER 2 HA SER 2 -17.418 -26.025 -1.833 6 HB2 SER 2 1HB SER 2 -15.708 -26.161 -3.699 7 HB3 SER 2 2HB SER 2 -16.024 -24.454 -4.007 8 HG SER 2 HG SER 2 -14.306 -25.369 -2.336 9 H SER 3 H SER 3 -18.029 -24.566 -0.388 10 HA SER 3 HA SER 3 -19.020 -21.966 -1.358 11 HB2 SER 3 1HB SER 3 -20.463 -21.907 0.625 12 HB3 SER 3 2HB SER 3 -20.768 -23.363 -0.323 13 HG SER 3 HG SER 3 -20.108 -24.535 1.293 14 H GLY 4 H GLY 4 -18.343 -20.094 -0.370 15 HA2 GLY 4 1HA GLY 4 -16.164 -20.416 1.602 16 HA3 GLY 4 2HA GLY 4 -16.155 -19.189 0.343 17 H SER 5 H SER 5 -15.721 -18.205 2.720 18 HA SER 5 HA SER 5 -18.276 -17.364 3.880 19 HB2 SER 5 1HB SER 5 -16.841 -16.419 5.704 20 HB3 SER 5 2HB SER 5 -16.668 -18.162 5.497 21 HG SER 5 HG SER 5 -14.618 -17.528 5.529 22 H SER 6 H SER 6 -19.088 -15.390 3.584 23 HA SER 6 HA SER 6 -18.114 -13.639 1.649 24 HB2 SER 6 1HB SER 6 -20.057 -13.208 3.922 25 HB3 SER 6 2HB SER 6 -19.719 -11.974 2.708 26 HG SER 6 HG SER 6 -21.022 -14.442 2.435 27 H GLY 7 H GLY 7 -17.951 -13.357 5.198 28 HA2 GLY 7 1HA GLY 7 -16.693 -11.960 6.535 29 HA3 GLY 7 2HA GLY 7 -15.396 -12.443 5.452 30 H SER 8 H SER 8 -18.015 -10.087 5.840 31 HA SER 8 HA SER 8 -17.093 -8.335 3.808 32 HB2 SER 8 1HB SER 8 -18.951 -7.930 6.155 33 HB3 SER 8 2HB SER 8 -18.605 -6.663 4.978 34 HG SER 8 HG SER 8 -19.331 -9.108 3.914 35 H GLY 9 H GLY 9 -14.833 -8.163 4.260 36 HA2 GLY 9 1HA GLY 9 -14.260 -5.981 6.104 37 HA3 GLY 9 2HA GLY 9 -13.434 -7.498 6.423 38 H GLU 10 H GLU 10 -12.890 -8.351 3.843 39 HA GLU 10 HA GLU 10 -10.475 -7.410 3.219 40 HB2 GLU 10 1HB GLU 10 -12.578 -8.038 1.139 41 HB3 GLU 10 2HB GLU 10 -10.839 -8.052 0.881 42 HG2 GLU 10 1HG GLU 10 -12.421 -9.892 2.657 43 HG3 GLU 10 2HG GLU 10 -11.618 -10.301 1.142 44 H LYS 11 H LYS 11 -9.513 -5.649 2.381 45 HA LYS 11 HA LYS 11 -11.203 -3.327 1.850 46 HB2 LYS 11 1HB LYS 11 -8.275 -3.675 2.451 47 HB3 LYS 11 2HB LYS 11 -8.910 -2.152 1.841 48 HG2 LYS 11 1HG LYS 11 -8.863 -1.871 4.149 49 HG3 LYS 11 2HG LYS 11 -10.549 -2.259 3.800 50 HD2 LYS 11 1HD LYS 11 -10.019 -3.579 5.662 51 HD3 LYS 11 2HD LYS 11 -9.899 -4.686 4.292 52 HE2 LYS 11 1HE LYS 11 -7.436 -4.216 4.251 53 HE3 LYS 11 2HE LYS 11 -7.644 -3.328 5.759 54 HZ1 LYS 11 3HZ LYS 11 -7.822 -5.209 6.931 55 HZ2 LYS 11 1HZ LYS 11 -7.096 -5.951 5.595 56 HZ3 LYS 11 2HZ LYS 11 -8.778 -5.983 5.768 57 HA PRO 12 HA PRO 12 -10.663 -3.522 -2.514 58 HB2 PRO 12 1HB PRO 12 -11.056 -0.905 -3.119 59 HB3 PRO 12 2HB PRO 12 -12.369 -1.988 -2.644 60 HG2 PRO 12 1HG PRO 12 -10.873 0.012 -0.994 61 HG3 PRO 12 2HG PRO 12 -12.613 -0.326 -1.036 62 HD2 PRO 12 1HD PRO 12 -10.989 -1.287 0.906 63 HD3 PRO 12 2HD PRO 12 -12.415 -2.173 0.329 64 H TYR 13 H TYR 13 -8.950 -0.941 -0.777 65 HA TYR 13 HA TYR 13 -6.786 -1.129 -2.766 66 HB2 TYR 13 1HB TYR 13 -7.167 1.165 -0.853 67 HB3 TYR 13 2HB TYR 13 -6.231 1.127 -2.343 68 HD1 TYR 13 HD1 TYR 13 -7.343 1.293 -4.517 69 HD2 TYR 13 HD2 TYR 13 -9.554 1.525 -0.889 70 HE1 TYR 13 HE1 TYR 13 -9.261 2.212 -5.752 71 HE2 TYR 13 HE2 TYR 13 -11.479 2.444 -2.115 72 HH TYR 13 HH TYR 13 -11.475 3.852 -4.755 73 H LYS 14 H LYS 14 -4.667 -1.344 -2.085 74 HA LYS 14 HA LYS 14 -4.037 -1.443 0.737 75 HB2 LYS 14 1HB LYS 14 -4.914 -3.687 0.393 76 HB3 LYS 14 2HB LYS 14 -3.856 -3.916 -0.994 77 HG2 LYS 14 1HG LYS 14 -2.607 -3.254 1.616 78 HG3 LYS 14 2HG LYS 14 -3.262 -4.878 1.388 79 HD2 LYS 14 1HD LYS 14 -1.921 -4.728 -0.878 80 HD3 LYS 14 2HD LYS 14 -0.984 -3.530 0.018 81 HE2 LYS 14 1HE LYS 14 -0.992 -5.410 1.865 82 HE3 LYS 14 2HE LYS 14 -1.273 -6.460 0.477 83 HZ1 LYS 14 3HZ LYS 14 1.145 -5.760 1.306 84 HZ2 LYS 14 1HZ LYS 14 0.866 -4.512 0.198 85 HZ3 LYS 14 2HZ LYS 14 0.796 -6.124 -0.308 86 H CYS 15 H CYS 15 -2.317 -0.141 0.705 87 HA CYS 15 HA CYS 15 -0.602 0.347 -1.411 88 HB2 CYS 15 1HB CYS 15 -0.788 1.707 0.684 89 HB3 CYS 15 2HB CYS 15 0.148 0.469 1.515 90 H SER 16 H SER 16 0.940 -0.790 -2.376 91 HA SER 16 HA SER 16 1.733 -3.349 -1.267 92 HB2 SER 16 1HB SER 16 2.071 -1.990 -3.919 93 HB3 SER 16 2HB SER 16 3.097 -3.364 -3.507 94 HG SER 16 HG SER 16 0.257 -3.353 -3.481 95 H GLU 17 H GLU 17 3.047 -0.162 -1.696 96 HA GLU 17 HA GLU 17 5.768 -0.613 -1.590 97 HB2 GLU 17 1HB GLU 17 4.015 1.609 -0.623 98 HB3 GLU 17 2HB GLU 17 5.722 1.626 -0.205 99 HG2 GLU 17 1HG GLU 17 4.969 1.199 -3.046 100 HG3 GLU 17 2HG GLU 17 4.816 2.818 -2.366 101 H CYS 18 H CYS 18 3.552 -0.164 1.162 102 HA CYS 18 HA CYS 18 5.618 -1.311 2.916 103 HB2 CYS 18 1HB CYS 18 4.255 -0.279 4.771 104 HB3 CYS 18 2HB CYS 18 5.012 0.871 3.673 105 H GLY 19 H GLY 19 2.190 -1.457 2.065 106 HA2 GLY 19 1HA GLY 19 1.136 -3.632 1.889 107 HA3 GLY 19 2HA GLY 19 2.116 -4.157 3.250 108 H LYS 20 H LYS 20 0.293 -1.144 2.960 109 HA LYS 20 HA LYS 20 -1.258 -1.963 5.321 110 HB2 LYS 20 1HB LYS 20 -0.435 0.738 4.274 111 HB3 LYS 20 2HB LYS 20 -1.710 0.560 5.471 112 HG2 LYS 20 1HG LYS 20 -0.190 -0.410 7.043 113 HG3 LYS 20 2HG LYS 20 1.092 -0.476 5.831 114 HD2 LYS 20 1HD LYS 20 0.668 2.110 5.697 115 HD3 LYS 20 2HD LYS 20 -0.014 1.870 7.308 116 HE2 LYS 20 1HE LYS 20 2.105 0.776 7.986 117 HE3 LYS 20 2HE LYS 20 2.773 1.157 6.400 118 HZ1 LYS 20 3HZ LYS 20 2.069 3.559 7.046 119 HZ2 LYS 20 1HZ LYS 20 3.512 2.912 7.646 120 HZ3 LYS 20 2HZ LYS 20 2.136 2.962 8.628 121 H ALA 21 H ALA 21 -3.495 -1.076 5.441 122 HA ALA 21 HA ALA 21 -4.752 -0.886 2.785 123 HB1 ALA 21 3HB ALA 21 -6.022 -2.366 5.070 124 HB2 ALA 21 1HB ALA 21 -6.467 -2.385 3.364 125 HB3 ALA 21 2HB ALA 21 -4.976 -3.164 3.895 126 H PHE 22 H PHE 22 -6.471 0.505 2.599 127 HA PHE 22 HA PHE 22 -7.240 2.000 5.014 128 HB2 PHE 22 1HB PHE 22 -6.798 3.209 2.277 129 HB3 PHE 22 2HB PHE 22 -7.248 4.072 3.744 130 HD1 PHE 22 HD2 PHE 22 -5.623 4.441 5.520 131 HD2 PHE 22 HD1 PHE 22 -4.542 2.495 1.892 132 HE1 PHE 22 HE2 PHE 22 -3.244 4.790 6.045 133 HE2 PHE 22 HE1 PHE 22 -2.162 2.840 2.412 134 HZ PHE 22 HZ PHE 22 -1.510 3.990 4.490 135 H HIS 23 H HIS 23 -9.360 2.819 5.059 136 HA HIS 23 HA HIS 23 -11.311 1.183 3.859 137 HB2 HIS 23 1HB HIS 23 -11.725 2.309 5.977 138 HB3 HIS 23 2HB HIS 23 -11.593 3.882 5.197 139 HD1 HIS 23 HD1 HIS 23 -14.017 4.430 6.007 140 HD2 HIS 23 HD2 HIS 23 -13.747 1.235 3.365 141 HE1 HIS 23 HE1 HIS 23 -16.368 4.003 5.226 142 H ARG 24 H ARG 24 -10.360 4.545 3.189 143 HA ARG 24 HA ARG 24 -11.764 4.333 0.607 144 HB2 ARG 24 1HB ARG 24 -11.128 6.811 2.220 145 HB3 ARG 24 2HB ARG 24 -11.923 6.794 0.652 146 HG2 ARG 24 1HG ARG 24 -13.843 5.719 1.542 147 HG3 ARG 24 2HG ARG 24 -13.029 5.403 3.075 148 HD2 ARG 24 1HD ARG 24 -13.253 8.221 2.159 149 HD3 ARG 24 2HD ARG 24 -14.706 7.430 2.768 150 HE ARG 24 HE ARG 24 -12.367 8.200 4.288 151 HH11 ARG 24 1HH1 ARG 24 -15.277 6.293 4.179 152 HH12 ARG 24 2HH1 ARG 24 -15.401 6.145 5.901 153 HH21 ARG 24 1HH2 ARG 24 -12.519 8.013 6.557 154 HH22 ARG 24 2HH2 ARG 24 -13.832 7.125 7.252 155 H HIS 25 H HIS 25 -10.755 5.189 -1.250 156 HA HIS 25 HA HIS 25 -8.013 4.681 -1.481 157 HB2 HIS 25 1HB HIS 25 -8.248 5.197 -3.713 158 HB3 HIS 25 2HB HIS 25 -9.930 4.896 -3.286 159 HD1 HIS 25 HD1 HIS 25 -11.546 6.852 -3.424 160 HD2 HIS 25 HD2 HIS 25 -7.596 7.936 -4.119 161 HE1 HIS 25 HE1 HIS 25 -11.639 9.210 -4.294 162 H THR 26 H THR 26 -9.773 7.725 -1.090 163 HA THR 26 HA THR 26 -7.855 9.604 -1.499 164 HB THR 26 HB THR 26 -8.918 10.971 0.291 165 HG1 THR 26 HG1 THR 26 -10.846 9.889 1.243 166 HG21 THR 26 3HG2 THR 26 -10.217 9.778 -2.005 167 HG22 THR 26 1HG2 THR 26 -10.280 11.439 -1.417 168 HG23 THR 26 2HG2 THR 26 -11.386 10.230 -0.764 169 H HIS 27 H HIS 27 -8.328 7.782 1.522 170 HA HIS 27 HA HIS 27 -6.241 8.951 2.973 171 HB2 HIS 27 1HB HIS 27 -7.597 6.269 3.151 172 HB3 HIS 27 2HB HIS 27 -6.291 6.712 4.246 173 HD1 HIS 27 HD1 HIS 27 -9.208 6.174 5.210 174 HD2 HIS 27 HD2 HIS 27 -7.608 9.926 4.418 175 HE1 HIS 27 HE1 HIS 27 -10.597 7.792 6.543 176 H LEU 28 H LEU 28 -6.270 6.031 0.951 177 HA LEU 28 HA LEU 28 -3.660 5.189 1.380 178 HB2 LEU 28 1HB LEU 28 -5.052 3.721 0.218 179 HB3 LEU 28 2HB LEU 28 -5.525 4.951 -0.952 180 HG LEU 28 HG LEU 28 -2.981 4.812 -1.626 181 HD11 LEU 28 1HD1 LEU 28 -3.081 2.841 0.331 182 HD12 LEU 28 2HD1 LEU 28 -1.794 3.106 -0.844 183 HD13 LEU 28 3HD1 LEU 28 -3.087 1.960 -1.197 184 HD21 LEU 28 3HD2 LEU 28 -4.947 2.663 -2.408 185 HD22 LEU 28 1HD2 LEU 28 -3.578 3.246 -3.355 186 HD23 LEU 28 2HD2 LEU 28 -4.949 4.310 -3.042 187 H ASN 29 H ASN 29 -4.866 7.279 -1.246 188 HA ASN 29 HA ASN 29 -2.455 7.818 -2.487 189 HB2 ASN 29 1HB ASN 29 -4.745 8.486 -3.291 190 HB3 ASN 29 2HB ASN 29 -4.695 9.818 -2.140 191 HD21 ASN 29 1HD2 ASN 29 -5.056 10.836 -4.374 192 HD22 ASN 29 2HD2 ASN 29 -3.630 11.384 -5.180 193 H GLU 30 H GLU 30 -4.058 9.857 -0.034 194 HA GLU 30 HA GLU 30 -2.021 11.711 0.293 195 HB2 GLU 30 1HB GLU 30 -4.265 10.752 2.004 196 HB3 GLU 30 2HB GLU 30 -3.025 11.747 2.754 197 HG2 GLU 30 1HG GLU 30 -4.686 13.246 2.097 198 HG3 GLU 30 2HG GLU 30 -3.428 13.402 0.873 199 H HIS 31 H HIS 31 -2.189 8.435 1.327 200 HA HIS 31 HA HIS 31 -0.152 8.696 3.360 201 HB2 HIS 31 1HB HIS 31 -1.546 6.959 3.933 202 HB3 HIS 31 2HB HIS 31 -1.807 6.473 2.261 203 HD1 HIS 31 HD1 HIS 31 0.410 5.896 5.186 204 HD2 HIS 31 HD2 HIS 31 0.157 4.732 1.206 205 HE1 HIS 31 HE1 HIS 31 2.002 3.964 4.948 206 H ARG 32 H ARG 32 -0.391 7.189 0.144 207 HA ARG 32 HA ARG 32 1.981 6.046 -0.264 208 HB2 ARG 32 1HB ARG 32 0.720 8.036 -2.160 209 HB3 ARG 32 2HB ARG 32 1.940 6.849 -2.603 210 HG2 ARG 32 1HG ARG 32 0.306 5.088 -1.777 211 HG3 ARG 32 2HG ARG 32 -0.900 6.376 -1.765 212 HD2 ARG 32 1HD ARG 32 -0.024 6.778 -4.208 213 HD3 ARG 32 2HD ARG 32 0.503 5.101 -4.066 214 HE ARG 32 HE ARG 32 -2.066 4.970 -3.281 215 HH11 ARG 32 1HH1 ARG 32 -0.526 6.403 -6.055 216 HH12 ARG 32 2HH1 ARG 32 -1.891 6.169 -7.097 217 HH21 ARG 32 1HH2 ARG 32 -3.869 4.656 -4.642 218 HH22 ARG 32 2HH2 ARG 32 -3.792 5.175 -6.292 219 H ARG 33 H ARG 33 1.484 9.489 0.123 220 HA ARG 33 HA ARG 33 3.819 10.573 -0.798 221 HB2 ARG 33 1HB ARG 33 2.167 11.241 1.627 222 HB3 ARG 33 2HB ARG 33 3.588 12.183 1.197 223 HG2 ARG 33 1HG ARG 33 1.577 13.237 0.360 224 HG3 ARG 33 2HG ARG 33 2.589 12.691 -0.978 225 HD2 ARG 33 1HD ARG 33 1.189 10.734 -1.275 226 HD3 ARG 33 2HD ARG 33 0.215 11.192 0.122 227 HE ARG 33 HE ARG 33 -0.073 12.154 -2.527 228 HH11 ARG 33 1HH1 ARG 33 -0.266 13.159 0.801 229 HH12 ARG 33 2HH1 ARG 33 -1.412 14.420 0.490 230 HH21 ARG 33 1HH2 ARG 33 -1.581 13.812 -2.949 231 HH22 ARG 33 2HH2 ARG 33 -2.159 14.791 -1.644 232 H ILE 34 H ILE 34 3.300 9.140 2.417 233 HA ILE 34 HA ILE 34 5.681 9.544 3.639 234 HB ILE 34 HB ILE 34 5.391 7.488 4.857 235 HG12 ILE 34 1HG1 ILE 34 3.133 6.592 3.124 236 HG13 ILE 34 2HG1 ILE 34 4.776 6.280 2.572 237 HG21 ILE 34 1HG2 ILE 34 3.087 7.741 5.610 238 HG22 ILE 34 2HG2 ILE 34 3.838 9.314 5.344 239 HG23 ILE 34 3HG2 ILE 34 2.705 8.666 4.158 240 HD11 ILE 34 3HD1 ILE 34 4.035 4.354 3.728 241 HD12 ILE 34 1HD1 ILE 34 5.200 5.167 4.773 242 HD13 ILE 34 2HD1 ILE 34 3.472 5.312 5.097 243 H HIS 35 H HIS 35 5.127 7.606 0.828 244 HA HIS 35 HA HIS 35 7.713 6.291 0.998 245 HB2 HIS 35 1HB HIS 35 5.532 6.193 -1.094 246 HB3 HIS 35 2HB HIS 35 7.033 5.276 -1.188 247 HD1 HIS 35 HD1 HIS 35 7.351 3.940 1.388 248 HD2 HIS 35 HD2 HIS 35 3.584 4.536 -0.258 249 HE1 HIS 35 HE1 HIS 35 5.862 2.233 2.481 250 H THR 36 H THR 36 6.154 8.899 -0.750 251 HA THR 36 HA THR 36 8.498 9.313 -2.431 252 HB THR 36 HB THR 36 7.196 11.087 -3.509 253 HG1 THR 36 HG1 THR 36 4.881 11.145 -2.765 254 HG21 THR 36 3HG2 THR 36 6.725 8.383 -3.666 255 HG22 THR 36 1HG2 THR 36 6.108 9.597 -4.785 256 HG23 THR 36 2HG2 THR 36 5.107 9.048 -3.442 257 H GLY 37 H GLY 37 10.001 9.912 -0.797 258 HA2 GLY 37 1HA GLY 37 9.715 11.844 1.149 259 HA3 GLY 37 2HA GLY 37 11.230 11.493 0.331 260 H TYR 38 H TYR 38 10.430 14.048 1.277 261 HA TYR 38 HA TYR 38 9.376 15.664 -0.793 262 HB2 TYR 38 1HB TYR 38 9.243 16.594 1.357 263 HB3 TYR 38 2HB TYR 38 10.928 16.239 1.717 264 HD1 TYR 38 HD1 TYR 38 8.684 18.460 -0.207 265 HD2 TYR 38 HD2 TYR 38 12.649 17.787 1.183 266 HE1 TYR 38 HE1 TYR 38 9.301 20.744 -0.879 267 HE2 TYR 38 HE2 TYR 38 13.276 20.070 0.515 268 HH TYR 38 HH TYR 38 12.009 21.811 -1.497 269 H ARG 39 H ARG 39 10.419 17.100 -2.201 270 HA ARG 39 HA ARG 39 13.204 16.365 -2.814 271 HB2 ARG 39 1HB ARG 39 10.878 17.131 -4.533 272 HB3 ARG 39 2HB ARG 39 12.509 17.470 -5.096 273 HG2 ARG 39 1HG ARG 39 13.087 15.160 -5.055 274 HG3 ARG 39 2HG ARG 39 11.584 14.743 -4.229 275 HD2 ARG 39 1HD ARG 39 10.454 15.812 -6.311 276 HD3 ARG 39 2HD ARG 39 12.023 15.557 -7.074 277 HE ARG 39 HE ARG 39 11.535 13.335 -7.211 278 HH11 ARG 39 1HH1 ARG 39 9.485 14.779 -4.796 279 HH12 ARG 39 2HH1 ARG 39 8.554 13.340 -4.539 280 HH21 ARG 39 1HH2 ARG 39 10.316 11.435 -6.881 281 HH22 ARG 39 2HH2 ARG 39 9.028 11.438 -5.724 282 HA PRO 40 HA PRO 40 14.483 20.458 -1.825 283 HB2 PRO 40 1HB PRO 40 16.751 20.576 -3.313 284 HB3 PRO 40 2HB PRO 40 16.626 19.628 -1.827 285 HG2 PRO 40 1HG PRO 40 16.413 18.724 -4.673 286 HG3 PRO 40 2HG PRO 40 17.265 17.961 -3.318 287 HD2 PRO 40 1HD PRO 40 14.839 17.118 -4.173 288 HD3 PRO 40 2HD PRO 40 15.338 17.020 -2.473 289 H SER 41 H SER 41 15.288 22.492 -2.979 290 HA SER 41 HA SER 41 13.396 23.153 -5.022 291 HB2 SER 41 1HB SER 41 15.457 24.623 -3.451 292 HB3 SER 41 2HB SER 41 14.929 25.340 -4.973 293 HG SER 41 HG SER 41 13.684 25.962 -3.085 294 H GLY 42 H GLY 42 16.914 22.741 -4.901 295 HA2 GLY 42 1HA GLY 42 17.035 21.896 -7.616 296 HA3 GLY 42 2HA GLY 42 17.583 23.559 -7.461 297 HA PRO 43 HA PRO 43 21.588 22.247 -6.276 298 HB2 PRO 43 1HB PRO 43 22.264 24.006 -4.322 299 HB3 PRO 43 2HB PRO 43 22.155 24.459 -6.027 300 HG2 PRO 43 1HG PRO 43 20.162 24.859 -3.830 301 HG3 PRO 43 2HG PRO 43 20.661 25.984 -5.106 302 HD2 PRO 43 1HD PRO 43 18.364 24.556 -5.240 303 HD3 PRO 43 2HD PRO 43 19.299 24.998 -6.683 304 H SER 44 H SER 44 21.196 20.198 -5.390 305 HA SER 44 HA SER 44 21.086 20.131 -2.445 306 HB2 SER 44 1HB SER 44 19.838 18.054 -2.559 307 HB3 SER 44 2HB SER 44 18.999 19.277 -3.513 308 HG SER 44 HG SER 44 19.114 17.356 -4.680 309 H SER 45 H SER 45 23.065 19.657 -1.752 310 HA SER 45 HA SER 45 25.197 18.633 -3.064 311 HB2 SER 45 1HB SER 45 25.313 19.459 -0.755 312 HB3 SER 45 2HB SER 45 24.460 18.023 -0.190 313 HG SER 45 HG SER 45 27.056 18.214 -1.288 314 H GLY 46 H GLY 46 23.075 16.594 -1.037 315 HA2 GLY 46 1HA GLY 46 22.715 14.319 -1.074 316 HA3 GLY 46 2HA GLY 46 22.558 14.569 -2.807 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -21.988 -19.161 12.286 2 HA2 GLY 1 1HA GLY 1 -19.834 -20.271 13.640 3 HA3 GLY 1 2HA GLY 1 -20.985 -21.576 13.395 4 H SER 2 H SER 2 -18.418 -19.883 12.065 5 HA SER 2 HA SER 2 -18.892 -21.154 9.456 6 HB2 SER 2 1HB SER 2 -19.327 -18.686 9.347 7 HB3 SER 2 2HB SER 2 -17.647 -18.418 9.810 8 HG SER 2 HG SER 2 -16.979 -19.309 7.910 9 H SER 3 H SER 3 -17.136 -22.092 8.502 10 HA SER 3 HA SER 3 -15.066 -23.058 10.032 11 HB2 SER 3 1HB SER 3 -13.968 -23.686 7.945 12 HB3 SER 3 2HB SER 3 -15.707 -23.948 7.808 13 HG SER 3 HG SER 3 -14.471 -22.768 6.046 14 H GLY 4 H GLY 4 -13.052 -22.407 10.601 15 HA2 GLY 4 1HA GLY 4 -11.169 -21.075 10.748 16 HA3 GLY 4 2HA GLY 4 -11.736 -20.187 9.342 17 H SER 5 H SER 5 -10.856 -18.357 10.621 18 HA SER 5 HA SER 5 -12.840 -17.398 12.579 19 HB2 SER 5 1HB SER 5 -11.011 -16.035 13.558 20 HB3 SER 5 2HB SER 5 -10.679 -17.765 13.645 21 HG SER 5 HG SER 5 -9.762 -16.396 11.399 22 H SER 6 H SER 6 -14.028 -15.755 11.899 23 HA SER 6 HA SER 6 -13.226 -14.260 9.542 24 HB2 SER 6 1HB SER 6 -15.593 -15.175 10.023 25 HB3 SER 6 2HB SER 6 -15.751 -13.801 11.117 26 HG SER 6 HG SER 6 -16.458 -12.996 9.244 27 H GLY 7 H GLY 7 -12.280 -12.332 9.594 28 HA2 GLY 7 1HA GLY 7 -12.879 -10.140 11.094 29 HA3 GLY 7 2HA GLY 7 -11.767 -11.039 12.116 30 H SER 8 H SER 8 -11.955 -10.230 8.645 31 HA SER 8 HA SER 8 -9.167 -9.291 8.834 32 HB2 SER 8 1HB SER 8 -10.541 -10.694 6.530 33 HB3 SER 8 2HB SER 8 -8.930 -9.981 6.444 34 HG SER 8 HG SER 8 -9.425 -11.761 8.526 35 H GLY 9 H GLY 9 -12.007 -9.021 6.682 36 HA2 GLY 9 1HA GLY 9 -13.087 -7.113 5.930 37 HA3 GLY 9 2HA GLY 9 -11.995 -6.148 6.912 38 H GLU 10 H GLU 10 -11.968 -8.182 3.987 39 HA GLU 10 HA GLU 10 -9.632 -7.075 2.885 40 HB2 GLU 10 1HB GLU 10 -10.239 -8.173 0.847 41 HB3 GLU 10 2HB GLU 10 -10.715 -9.220 2.178 42 HG2 GLU 10 1HG GLU 10 -13.026 -8.418 1.958 43 HG3 GLU 10 2HG GLU 10 -12.534 -7.425 0.587 44 H LYS 11 H LYS 11 -9.245 -5.191 1.929 45 HA LYS 11 HA LYS 11 -11.548 -3.559 1.081 46 HB2 LYS 11 1HB LYS 11 -8.849 -2.508 1.929 47 HB3 LYS 11 2HB LYS 11 -10.327 -1.589 1.675 48 HG2 LYS 11 1HG LYS 11 -10.345 -3.730 3.733 49 HG3 LYS 11 2HG LYS 11 -9.488 -2.228 4.087 50 HD2 LYS 11 1HD LYS 11 -11.564 -1.665 4.853 51 HD3 LYS 11 2HD LYS 11 -11.731 -1.160 3.169 52 HE2 LYS 11 1HE LYS 11 -12.577 -3.591 2.803 53 HE3 LYS 11 2HE LYS 11 -12.841 -3.574 4.546 54 HZ1 LYS 11 3HZ LYS 11 -14.393 -2.383 2.488 55 HZ2 LYS 11 1HZ LYS 11 -13.909 -1.216 3.614 56 HZ3 LYS 11 2HZ LYS 11 -14.763 -2.583 4.126 57 HA PRO 12 HA PRO 12 -9.967 -3.473 -3.016 58 HB2 PRO 12 1HB PRO 12 -10.809 -1.024 -3.833 59 HB3 PRO 12 2HB PRO 12 -11.907 -2.391 -3.606 60 HG2 PRO 12 1HG PRO 12 -11.338 -0.094 -1.773 61 HG3 PRO 12 2HG PRO 12 -12.894 -0.838 -2.185 62 HD2 PRO 12 1HD PRO 12 -11.582 -1.386 0.120 63 HD3 PRO 12 2HD PRO 12 -12.591 -2.586 -0.713 64 H TYR 13 H TYR 13 -9.012 -1.092 -0.701 65 HA TYR 13 HA TYR 13 -6.768 -0.273 -2.423 66 HB2 TYR 13 1HB TYR 13 -7.764 1.157 0.045 67 HB3 TYR 13 2HB TYR 13 -6.623 1.758 -1.154 68 HD1 TYR 13 HD1 TYR 13 -7.495 2.117 -3.539 69 HD2 TYR 13 HD2 TYR 13 -10.050 1.590 -0.178 70 HE1 TYR 13 HE1 TYR 13 -9.345 3.144 -4.792 71 HE2 TYR 13 HE2 TYR 13 -11.908 2.615 -1.422 72 HH TYR 13 HH TYR 13 -12.515 3.668 -3.287 73 H LYS 14 H LYS 14 -4.752 -0.793 -1.853 74 HA LYS 14 HA LYS 14 -4.006 -1.277 0.884 75 HB2 LYS 14 1HB LYS 14 -5.014 -3.439 0.284 76 HB3 LYS 14 2HB LYS 14 -3.932 -3.561 -1.097 77 HG2 LYS 14 1HG LYS 14 -2.801 -3.249 1.647 78 HG3 LYS 14 2HG LYS 14 -3.384 -4.824 1.104 79 HD2 LYS 14 1HD LYS 14 -1.917 -4.301 -1.003 80 HD3 LYS 14 2HD LYS 14 -1.094 -3.194 0.098 81 HE2 LYS 14 1HE LYS 14 -0.377 -4.915 1.488 82 HE3 LYS 14 2HE LYS 14 -1.601 -6.036 0.893 83 HZ1 LYS 14 3HZ LYS 14 0.381 -6.752 -0.067 84 HZ2 LYS 14 1HZ LYS 14 0.903 -5.183 -0.425 85 HZ3 LYS 14 2HZ LYS 14 -0.364 -5.874 -1.307 86 H CYS 15 H CYS 15 -2.150 -0.212 1.004 87 HA CYS 15 HA CYS 15 -0.520 0.369 -1.244 88 HB2 CYS 15 1HB CYS 15 -0.667 1.826 0.753 89 HB3 CYS 15 2HB CYS 15 0.158 0.590 1.697 90 H SER 16 H SER 16 0.868 -0.927 -2.228 91 HA SER 16 HA SER 16 1.679 -3.420 -1.040 92 HB2 SER 16 1HB SER 16 1.135 -3.180 -3.468 93 HB3 SER 16 2HB SER 16 2.584 -2.193 -3.655 94 HG SER 16 HG SER 16 2.327 -4.920 -3.370 95 H GLU 17 H GLU 17 3.104 -0.284 -1.629 96 HA GLU 17 HA GLU 17 5.791 -0.753 -1.461 97 HB2 GLU 17 1HB GLU 17 4.261 1.485 -0.123 98 HB3 GLU 17 2HB GLU 17 5.995 1.479 -0.414 99 HG2 GLU 17 1HG GLU 17 3.980 1.231 -2.624 100 HG3 GLU 17 2HG GLU 17 4.578 2.783 -2.043 101 H CYS 18 H CYS 18 3.675 -0.116 1.342 102 HA CYS 18 HA CYS 18 5.699 -1.373 3.062 103 HB2 CYS 18 1HB CYS 18 4.484 -0.260 4.931 104 HB3 CYS 18 2HB CYS 18 5.135 0.873 3.750 105 H GLY 19 H GLY 19 2.266 -1.421 2.235 106 HA2 GLY 19 1HA GLY 19 1.175 -3.595 2.098 107 HA3 GLY 19 2HA GLY 19 2.100 -4.078 3.512 108 H LYS 20 H LYS 20 0.417 -1.011 3.079 109 HA LYS 20 HA LYS 20 -1.194 -1.649 5.445 110 HB2 LYS 20 1HB LYS 20 0.283 0.473 5.208 111 HB3 LYS 20 2HB LYS 20 -1.012 1.068 4.177 112 HG2 LYS 20 1HG LYS 20 -2.544 1.132 5.925 113 HG3 LYS 20 2HG LYS 20 -1.588 0.037 6.928 114 HD2 LYS 20 1HD LYS 20 0.173 1.839 7.011 115 HD3 LYS 20 2HD LYS 20 -1.004 2.916 6.256 116 HE2 LYS 20 1HE LYS 20 -1.248 3.349 8.531 117 HE3 LYS 20 2HE LYS 20 -2.560 2.223 8.183 118 HZ1 LYS 20 3HZ LYS 20 -1.334 1.683 10.230 119 HZ2 LYS 20 1HZ LYS 20 0.070 1.441 9.317 120 HZ3 LYS 20 2HZ LYS 20 -1.270 0.434 9.090 121 H ALA 21 H ALA 21 -3.441 -0.744 5.466 122 HA ALA 21 HA ALA 21 -4.693 -0.796 2.807 123 HB1 ALA 21 3HB ALA 21 -6.438 -2.259 3.553 124 HB2 ALA 21 1HB ALA 21 -4.886 -3.025 3.895 125 HB3 ALA 21 2HB ALA 21 -5.800 -2.260 5.197 126 H PHE 22 H PHE 22 -6.456 0.526 2.543 127 HA PHE 22 HA PHE 22 -7.347 2.069 4.880 128 HB2 PHE 22 1HB PHE 22 -6.709 3.234 2.161 129 HB3 PHE 22 2HB PHE 22 -7.346 4.123 3.541 130 HD1 PHE 22 HD2 PHE 22 -5.931 4.448 5.552 131 HD2 PHE 22 HD1 PHE 22 -4.404 2.757 1.957 132 HE1 PHE 22 HE2 PHE 22 -3.638 4.906 6.316 133 HE2 PHE 22 HE1 PHE 22 -2.108 3.211 2.715 134 HZ PHE 22 HZ PHE 22 -1.722 4.288 4.896 135 H HIS 23 H HIS 23 -9.496 2.482 4.982 136 HA HIS 23 HA HIS 23 -11.261 0.957 3.393 137 HB2 HIS 23 1HB HIS 23 -12.977 1.784 4.742 138 HB3 HIS 23 2HB HIS 23 -11.570 1.873 5.799 139 HD1 HIS 23 HD1 HIS 23 -14.387 3.754 5.193 140 HD2 HIS 23 HD2 HIS 23 -10.346 4.721 5.193 141 HE1 HIS 23 HE1 HIS 23 -14.291 6.242 5.543 142 H ARG 24 H ARG 24 -10.152 4.270 3.214 143 HA ARG 24 HA ARG 24 -11.830 4.660 0.823 144 HB2 ARG 24 1HB ARG 24 -10.793 6.679 2.815 145 HB3 ARG 24 2HB ARG 24 -11.533 7.119 1.281 146 HG2 ARG 24 1HG ARG 24 -13.028 5.322 3.121 147 HG3 ARG 24 2HG ARG 24 -12.932 7.044 3.497 148 HD2 ARG 24 1HD ARG 24 -14.874 6.885 2.231 149 HD3 ARG 24 2HD ARG 24 -13.666 7.393 1.052 150 HE ARG 24 HE ARG 24 -13.908 5.381 -0.021 151 HH11 ARG 24 1HH1 ARG 24 -15.400 5.204 3.120 152 HH12 ARG 24 2HH1 ARG 24 -16.142 3.666 2.825 153 HH21 ARG 24 1HH2 ARG 24 -14.880 3.356 -0.421 154 HH22 ARG 24 2HH2 ARG 24 -15.845 2.616 0.810 155 H HIS 25 H HIS 25 -10.899 5.768 -0.963 156 HA HIS 25 HA HIS 25 -8.231 5.010 -1.524 157 HB2 HIS 25 1HB HIS 25 -9.574 5.137 -3.421 158 HB3 HIS 25 2HB HIS 25 -10.290 6.670 -2.935 159 HD1 HIS 25 HD1 HIS 25 -9.149 8.794 -3.711 160 HD2 HIS 25 HD2 HIS 25 -6.981 5.362 -4.596 161 HE1 HIS 25 HE1 HIS 25 -7.303 9.542 -5.246 162 H THR 26 H THR 26 -9.724 8.144 -0.794 163 HA THR 26 HA THR 26 -7.663 9.878 -1.168 164 HB THR 26 HB THR 26 -8.536 11.177 0.802 165 HG1 THR 26 HG1 THR 26 -10.598 9.261 0.981 166 HG21 THR 26 3HG2 THR 26 -10.307 11.947 -0.408 167 HG22 THR 26 1HG2 THR 26 -10.937 10.330 -0.722 168 HG23 THR 26 2HG2 THR 26 -9.566 10.938 -1.650 169 H HIS 27 H HIS 27 -8.162 7.826 1.687 170 HA HIS 27 HA HIS 27 -5.939 8.741 3.148 171 HB2 HIS 27 1HB HIS 27 -7.686 6.325 3.238 172 HB3 HIS 27 2HB HIS 27 -6.170 6.284 4.133 173 HD1 HIS 27 HD1 HIS 27 -6.679 6.741 6.502 174 HD2 HIS 27 HD2 HIS 27 -8.923 9.138 3.957 175 HE1 HIS 27 HE1 HIS 27 -8.010 8.256 8.005 176 H LEU 28 H LEU 28 -6.310 6.004 0.919 177 HA LEU 28 HA LEU 28 -3.744 4.934 1.196 178 HB2 LEU 28 1HB LEU 28 -5.366 3.635 0.092 179 HB3 LEU 28 2HB LEU 28 -5.721 4.918 -1.063 180 HG LEU 28 HG LEU 28 -3.253 4.519 -1.827 181 HD11 LEU 28 1HD1 LEU 28 -3.841 2.178 -0.104 182 HD12 LEU 28 2HD1 LEU 28 -2.313 2.996 -0.425 183 HD13 LEU 28 3HD1 LEU 28 -2.989 1.890 -1.621 184 HD21 LEU 28 3HD2 LEU 28 -4.253 2.432 -3.147 185 HD22 LEU 28 1HD2 LEU 28 -4.742 4.092 -3.485 186 HD23 LEU 28 2HD2 LEU 28 -5.753 3.066 -2.468 187 H ASN 29 H ASN 29 -4.949 7.093 -1.379 188 HA ASN 29 HA ASN 29 -2.547 7.531 -2.678 189 HB2 ASN 29 1HB ASN 29 -4.811 8.269 -3.463 190 HB3 ASN 29 2HB ASN 29 -4.728 9.593 -2.305 191 HD21 ASN 29 1HD2 ASN 29 -4.227 11.428 -3.234 192 HD22 ASN 29 2HD2 ASN 29 -3.128 11.644 -4.549 193 H GLU 30 H GLU 30 -4.002 9.518 -0.101 194 HA GLU 30 HA GLU 30 -1.940 11.377 0.134 195 HB2 GLU 30 1HB GLU 30 -4.100 10.403 1.946 196 HB3 GLU 30 2HB GLU 30 -2.820 11.391 2.637 197 HG2 GLU 30 1HG GLU 30 -3.376 12.959 0.607 198 HG3 GLU 30 2HG GLU 30 -4.922 12.115 0.665 199 H HIS 31 H HIS 31 -2.424 8.308 1.854 200 HA HIS 31 HA HIS 31 -0.239 8.441 3.569 201 HB2 HIS 31 1HB HIS 31 -1.636 6.676 4.069 202 HB3 HIS 31 2HB HIS 31 -1.831 6.212 2.381 203 HD1 HIS 31 HD1 HIS 31 0.182 5.529 5.395 204 HD2 HIS 31 HD2 HIS 31 0.325 4.641 1.339 205 HE1 HIS 31 HE1 HIS 31 1.855 3.664 5.173 206 H ARG 32 H ARG 32 -0.423 6.995 0.321 207 HA ARG 32 HA ARG 32 2.062 5.971 -0.002 208 HB2 ARG 32 1HB ARG 32 0.318 7.496 -1.914 209 HB3 ARG 32 2HB ARG 32 1.885 6.885 -2.425 210 HG2 ARG 32 1HG ARG 32 1.237 4.651 -2.120 211 HG3 ARG 32 2HG ARG 32 -0.184 5.108 -1.178 212 HD2 ARG 32 1HD ARG 32 -0.914 4.457 -3.361 213 HD3 ARG 32 2HD ARG 32 -1.100 6.204 -3.218 214 HE ARG 32 HE ARG 32 1.344 5.925 -4.350 215 HH11 ARG 32 1HH1 ARG 32 -1.819 4.695 -5.126 216 HH12 ARG 32 2HH1 ARG 32 -1.522 4.639 -6.832 217 HH21 ARG 32 1HH2 ARG 32 1.748 5.856 -6.594 218 HH22 ARG 32 2HH2 ARG 32 0.508 5.299 -7.666 219 H ARG 33 H ARG 33 1.262 9.303 0.408 220 HA ARG 33 HA ARG 33 3.328 10.668 -0.754 221 HB2 ARG 33 1HB ARG 33 1.946 11.101 1.887 222 HB3 ARG 33 2HB ARG 33 3.158 12.220 1.278 223 HG2 ARG 33 1HG ARG 33 1.825 12.761 -0.615 224 HG3 ARG 33 2HG ARG 33 0.685 11.463 -0.253 225 HD2 ARG 33 1HD ARG 33 0.131 12.618 1.874 226 HD3 ARG 33 2HD ARG 33 1.179 13.947 1.382 227 HE ARG 33 HE ARG 33 -1.483 13.465 0.510 228 HH11 ARG 33 1HH1 ARG 33 1.602 14.695 -0.531 229 HH12 ARG 33 2HH1 ARG 33 0.925 15.746 -1.731 230 HH21 ARG 33 1HH2 ARG 33 -2.387 14.843 -1.067 231 HH22 ARG 33 2HH2 ARG 33 -1.344 15.830 -2.035 232 H ILE 34 H ILE 34 3.372 9.135 2.458 233 HA ILE 34 HA ILE 34 5.932 9.808 3.243 234 HB ILE 34 HB ILE 34 5.895 7.932 4.732 235 HG12 ILE 34 1HG1 ILE 34 3.612 6.853 3.063 236 HG13 ILE 34 2HG1 ILE 34 5.253 6.215 3.079 237 HG21 ILE 34 1HG2 ILE 34 4.436 9.215 5.827 238 HG22 ILE 34 2HG2 ILE 34 3.559 9.617 4.351 239 HG23 ILE 34 3HG2 ILE 34 3.190 8.126 5.217 240 HD11 ILE 34 3HD1 ILE 34 4.291 4.771 4.529 241 HD12 ILE 34 1HD1 ILE 34 4.742 6.034 5.674 242 HD13 ILE 34 2HD1 ILE 34 3.087 5.940 5.071 243 H HIS 35 H HIS 35 4.914 7.544 0.827 244 HA HIS 35 HA HIS 35 7.531 6.284 0.663 245 HB2 HIS 35 1HB HIS 35 4.992 5.875 -0.927 246 HB3 HIS 35 2HB HIS 35 6.480 4.972 -1.193 247 HD1 HIS 35 HD1 HIS 35 7.212 4.433 1.777 248 HD2 HIS 35 HD2 HIS 35 3.437 3.892 0.130 249 HE1 HIS 35 HE1 HIS 35 6.063 2.763 3.265 250 H THR 36 H THR 36 5.855 8.920 -0.703 251 HA THR 36 HA THR 36 7.970 9.217 -2.729 252 HB THR 36 HB THR 36 6.281 10.362 -4.191 253 HG1 THR 36 HG1 THR 36 4.412 9.135 -2.420 254 HG21 THR 36 3HG2 THR 36 5.025 8.086 -4.664 255 HG22 THR 36 1HG2 THR 36 6.221 7.457 -3.532 256 HG23 THR 36 2HG2 THR 36 6.745 8.268 -5.008 257 H GLY 37 H GLY 37 9.138 10.638 -1.427 258 HA2 GLY 37 1HA GLY 37 8.350 13.370 -1.587 259 HA3 GLY 37 2HA GLY 37 8.184 12.768 0.056 260 H TYR 38 H TYR 38 10.010 12.302 1.265 261 HA TYR 38 HA TYR 38 12.590 12.984 0.023 262 HB2 TYR 38 1HB TYR 38 13.225 14.062 2.193 263 HB3 TYR 38 2HB TYR 38 11.951 14.905 1.319 264 HD1 TYR 38 HD2 TYR 38 9.528 14.448 2.045 265 HD2 TYR 38 HD1 TYR 38 12.909 13.426 4.418 266 HE1 TYR 38 HE2 TYR 38 8.092 14.352 4.040 267 HE2 TYR 38 HE1 TYR 38 11.482 13.326 6.419 268 HH TYR 38 HH TYR 38 8.473 12.919 6.513 269 H ARG 39 H ARG 39 14.470 12.153 1.227 270 HA ARG 39 HA ARG 39 13.837 9.553 2.452 271 HB2 ARG 39 1HB ARG 39 16.572 10.178 1.446 272 HB3 ARG 39 2HB ARG 39 15.709 8.646 1.471 273 HG2 ARG 39 1HG ARG 39 15.164 10.941 -0.402 274 HG3 ARG 39 2HG ARG 39 16.036 9.460 -0.802 275 HD2 ARG 39 1HD ARG 39 13.833 8.326 0.094 276 HD3 ARG 39 2HD ARG 39 13.129 9.889 -0.319 277 HE ARG 39 HE ARG 39 13.224 9.263 -2.503 278 HH11 ARG 39 1HH1 ARG 39 15.610 7.442 -0.738 279 HH12 ARG 39 2HH1 ARG 39 16.092 6.497 -2.108 280 HH21 ARG 39 1HH2 ARG 39 13.850 8.025 -4.314 281 HH22 ARG 39 2HH2 ARG 39 15.091 6.830 -4.142 282 HA PRO 40 HA PRO 40 15.542 12.091 5.912 283 HB2 PRO 40 1HB PRO 40 13.882 11.042 7.786 284 HB3 PRO 40 2HB PRO 40 13.430 12.408 6.759 285 HG2 PRO 40 1HG PRO 40 12.738 9.509 6.470 286 HG3 PRO 40 2HG PRO 40 11.703 10.933 6.257 287 HD2 PRO 40 1HD PRO 40 12.794 9.600 4.169 288 HD3 PRO 40 2HD PRO 40 12.499 11.350 4.134 289 H SER 41 H SER 41 14.744 8.658 5.690 290 HA SER 41 HA SER 41 17.310 7.949 6.798 291 HB2 SER 41 1HB SER 41 15.724 8.316 8.780 292 HB3 SER 41 2HB SER 41 14.880 6.871 8.224 293 HG SER 41 HG SER 41 17.271 6.063 8.254 294 H GLY 42 H GLY 42 18.038 6.288 5.652 295 HA2 GLY 42 1HA GLY 42 16.661 4.990 3.648 296 HA3 GLY 42 2HA GLY 42 18.091 4.339 4.435 297 HA PRO 43 HA PRO 43 14.348 1.613 5.230 298 HB2 PRO 43 1HB PRO 43 15.368 -0.628 4.085 299 HB3 PRO 43 2HB PRO 43 14.439 0.575 3.182 300 HG2 PRO 43 1HG PRO 43 17.405 0.210 3.352 301 HG3 PRO 43 2HG PRO 43 16.400 0.556 1.933 302 HD2 PRO 43 1HD PRO 43 17.814 2.474 3.219 303 HD3 PRO 43 2HD PRO 43 16.263 2.804 2.422 304 H SER 44 H SER 44 14.409 1.017 7.300 305 HA SER 44 HA SER 44 16.756 -0.486 8.257 306 HB2 SER 44 1HB SER 44 16.607 1.829 9.203 307 HB3 SER 44 2HB SER 44 15.057 1.388 9.919 308 HG SER 44 HG SER 44 16.284 0.768 11.518 309 H SER 45 H SER 45 13.309 0.154 8.869 310 HA SER 45 HA SER 45 12.949 -2.210 10.430 311 HB2 SER 45 1HB SER 45 11.476 -0.345 10.819 312 HB3 SER 45 2HB SER 45 10.973 -0.325 9.129 313 HG SER 45 HG SER 45 9.942 -2.292 9.445 314 H GLY 46 H GLY 46 13.727 -3.914 9.144 315 HA2 GLY 46 1HA GLY 46 13.321 -5.764 7.823 316 HA3 GLY 46 2HA GLY 46 11.749 -5.083 7.430 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.877 -26.994 -4.121 2 HA2 GLY 1 1HA GLY 1 1.793 -28.792 -2.041 3 HA3 GLY 1 2HA GLY 1 2.600 -27.280 -1.652 4 H SER 2 H SER 2 0.377 -27.224 -0.495 5 HA SER 2 HA SER 2 -1.303 -25.451 -2.066 6 HB2 SER 2 1HB SER 2 -2.193 -28.132 -1.068 7 HB3 SER 2 2HB SER 2 -3.347 -26.799 -1.105 8 HG SER 2 HG SER 2 -3.530 -27.705 -3.072 9 H SER 3 H SER 3 -2.403 -23.961 -0.842 10 HA SER 3 HA SER 3 -2.456 -24.248 2.056 11 HB2 SER 3 1HB SER 3 -1.156 -21.851 0.742 12 HB3 SER 3 2HB SER 3 -1.342 -22.130 2.473 13 HG SER 3 HG SER 3 0.148 -23.732 2.385 14 H GLY 4 H GLY 4 -3.854 -22.714 3.108 15 HA2 GLY 4 1HA GLY 4 -6.025 -21.873 1.341 16 HA3 GLY 4 2HA GLY 4 -6.107 -22.016 3.090 17 H SER 5 H SER 5 -7.055 -19.806 1.587 18 HA SER 5 HA SER 5 -5.189 -17.704 2.476 19 HB2 SER 5 1HB SER 5 -5.696 -17.992 -0.064 20 HB3 SER 5 2HB SER 5 -7.244 -17.244 0.332 21 HG SER 5 HG SER 5 -5.948 -15.525 1.310 22 H SER 6 H SER 6 -5.961 -17.065 4.399 23 HA SER 6 HA SER 6 -8.623 -17.141 5.237 24 HB2 SER 6 1HB SER 6 -7.900 -15.604 7.044 25 HB3 SER 6 2HB SER 6 -6.779 -16.946 6.822 26 HG SER 6 HG SER 6 -5.493 -15.195 6.900 27 H GLY 7 H GLY 7 -6.731 -14.419 3.941 28 HA2 GLY 7 1HA GLY 7 -8.861 -13.293 2.515 29 HA3 GLY 7 2HA GLY 7 -8.793 -12.505 4.084 30 H SER 8 H SER 8 -7.899 -12.133 0.997 31 HA SER 8 HA SER 8 -5.268 -10.981 1.542 32 HB2 SER 8 1HB SER 8 -5.249 -12.279 -0.436 33 HB3 SER 8 2HB SER 8 -6.774 -11.595 -0.997 34 HG SER 8 HG SER 8 -4.665 -9.828 -0.578 35 H GLY 9 H GLY 9 -5.198 -8.943 2.207 36 HA2 GLY 9 1HA GLY 9 -5.906 -6.778 2.630 37 HA3 GLY 9 2HA GLY 9 -5.912 -6.711 0.874 38 H GLU 10 H GLU 10 -7.913 -7.480 3.690 39 HA GLU 10 HA GLU 10 -10.354 -7.970 2.738 40 HB2 GLU 10 1HB GLU 10 -11.233 -6.326 4.543 41 HB3 GLU 10 2HB GLU 10 -10.272 -7.711 5.045 42 HG2 GLU 10 1HG GLU 10 -8.298 -5.970 4.779 43 HG3 GLU 10 2HG GLU 10 -9.605 -4.824 5.071 44 H LYS 11 H LYS 11 -8.978 -4.692 2.871 45 HA LYS 11 HA LYS 11 -11.190 -3.630 1.323 46 HB2 LYS 11 1HB LYS 11 -8.873 -2.494 2.803 47 HB3 LYS 11 2HB LYS 11 -9.520 -1.547 1.470 48 HG2 LYS 11 1HG LYS 11 -10.501 -0.902 3.610 49 HG3 LYS 11 2HG LYS 11 -11.715 -1.545 2.501 50 HD2 LYS 11 1HD LYS 11 -11.542 -3.733 3.644 51 HD3 LYS 11 2HD LYS 11 -10.408 -3.015 4.792 52 HE2 LYS 11 1HE LYS 11 -12.155 -1.390 5.439 53 HE3 LYS 11 2HE LYS 11 -13.280 -2.201 4.351 54 HZ1 LYS 11 3HZ LYS 11 -11.916 -3.825 6.366 55 HZ2 LYS 11 1HZ LYS 11 -13.475 -3.981 5.727 56 HZ3 LYS 11 2HZ LYS 11 -13.153 -2.798 6.891 57 HA PRO 12 HA PRO 12 -9.324 -3.997 -2.639 58 HB2 PRO 12 1HB PRO 12 -10.466 -1.881 -3.900 59 HB3 PRO 12 2HB PRO 12 -11.355 -3.356 -3.503 60 HG2 PRO 12 1HG PRO 12 -11.290 -0.736 -2.057 61 HG3 PRO 12 2HG PRO 12 -12.677 -1.781 -2.417 62 HD2 PRO 12 1HD PRO 12 -11.480 -1.734 0.012 63 HD3 PRO 12 2HD PRO 12 -12.224 -3.200 -0.658 64 H TYR 13 H TYR 13 -8.657 -1.462 -0.532 65 HA TYR 13 HA TYR 13 -6.641 -0.335 -2.361 66 HB2 TYR 13 1HB TYR 13 -7.831 0.957 0.101 67 HB3 TYR 13 2HB TYR 13 -6.713 1.702 -1.035 68 HD1 TYR 13 HD2 TYR 13 -10.172 0.625 -0.487 69 HD2 TYR 13 HD1 TYR 13 -7.472 2.480 -3.201 70 HE1 TYR 13 HE2 TYR 13 -12.076 1.437 -1.816 71 HE2 TYR 13 HE1 TYR 13 -9.368 3.299 -4.537 72 HH TYR 13 HH TYR 13 -12.438 3.459 -3.464 73 H LYS 14 H LYS 14 -4.802 -1.419 -1.990 74 HA LYS 14 HA LYS 14 -3.819 -1.507 0.782 75 HB2 LYS 14 1HB LYS 14 -4.524 -3.757 0.179 76 HB3 LYS 14 2HB LYS 14 -3.570 -3.689 -1.297 77 HG2 LYS 14 1HG LYS 14 -2.139 -4.866 0.010 78 HG3 LYS 14 2HG LYS 14 -1.612 -3.232 0.423 79 HD2 LYS 14 1HD LYS 14 -2.947 -3.259 2.431 80 HD3 LYS 14 2HD LYS 14 -3.643 -4.821 1.991 81 HE2 LYS 14 1HE LYS 14 -0.681 -4.540 2.250 82 HE3 LYS 14 2HE LYS 14 -1.671 -4.685 3.701 83 HZ1 LYS 14 3HZ LYS 14 -0.830 -6.712 1.945 84 HZ2 LYS 14 1HZ LYS 14 -2.520 -6.641 1.912 85 HZ3 LYS 14 2HZ LYS 14 -1.711 -6.861 3.381 86 H CYS 15 H CYS 15 -2.155 -0.154 0.879 87 HA CYS 15 HA CYS 15 -0.715 0.900 -1.226 88 HB2 CYS 15 1HB CYS 15 -0.696 1.795 1.083 89 HB3 CYS 15 2HB CYS 15 0.298 0.432 1.587 90 H SER 16 H SER 16 0.601 -0.001 -2.651 91 HA SER 16 HA SER 16 1.776 -2.602 -2.113 92 HB2 SER 16 1HB SER 16 0.660 -2.007 -4.307 93 HB3 SER 16 2HB SER 16 2.035 -0.953 -4.633 94 HG SER 16 HG SER 16 2.045 -3.269 -5.412 95 H GLU 17 H GLU 17 2.801 -0.464 -0.554 96 HA GLU 17 HA GLU 17 5.574 -0.396 -1.544 97 HB2 GLU 17 1HB GLU 17 4.149 1.793 -0.022 98 HB3 GLU 17 2HB GLU 17 5.843 1.812 -0.492 99 HG2 GLU 17 1HG GLU 17 3.637 1.571 -2.507 100 HG3 GLU 17 2HG GLU 17 4.213 3.131 -1.924 101 H CYS 18 H CYS 18 3.496 -0.173 1.328 102 HA CYS 18 HA CYS 18 5.701 -1.308 2.918 103 HB2 CYS 18 1HB CYS 18 4.522 -0.347 4.893 104 HB3 CYS 18 2HB CYS 18 5.066 0.872 3.744 105 H GLY 19 H GLY 19 2.161 -1.357 2.538 106 HA2 GLY 19 1HA GLY 19 1.250 -3.675 2.238 107 HA3 GLY 19 2HA GLY 19 2.189 -4.089 3.664 108 H LYS 20 H LYS 20 0.288 -1.159 3.128 109 HA LYS 20 HA LYS 20 -1.378 -1.933 5.430 110 HB2 LYS 20 1HB LYS 20 -0.303 0.692 4.489 111 HB3 LYS 20 2HB LYS 20 -1.827 0.669 5.365 112 HG2 LYS 20 1HG LYS 20 -0.800 -0.289 7.286 113 HG3 LYS 20 2HG LYS 20 0.706 -0.572 6.409 114 HD2 LYS 20 1HD LYS 20 1.309 1.649 6.462 115 HD3 LYS 20 2HD LYS 20 -0.359 2.208 6.603 116 HE2 LYS 20 1HE LYS 20 0.422 2.603 8.729 117 HE3 LYS 20 2HE LYS 20 -0.257 0.987 8.914 118 HZ1 LYS 20 3HZ LYS 20 2.601 1.467 8.297 119 HZ2 LYS 20 1HZ LYS 20 1.878 0.026 8.810 120 HZ3 LYS 20 2HZ LYS 20 2.015 1.330 9.878 121 H ALA 21 H ALA 21 -3.621 -1.370 5.391 122 HA ALA 21 HA ALA 21 -4.710 -0.962 2.683 123 HB1 ALA 21 3HB ALA 21 -5.144 -3.167 4.534 124 HB2 ALA 21 1HB ALA 21 -6.644 -2.425 3.977 125 HB3 ALA 21 2HB ALA 21 -5.482 -3.053 2.807 126 H PHE 22 H PHE 22 -6.418 0.414 2.489 127 HA PHE 22 HA PHE 22 -7.496 1.588 4.963 128 HB2 PHE 22 1HB PHE 22 -6.775 3.096 2.441 129 HB3 PHE 22 2HB PHE 22 -7.506 3.792 3.884 130 HD1 PHE 22 HD2 PHE 22 -6.204 4.007 5.953 131 HD2 PHE 22 HD1 PHE 22 -4.445 2.609 2.338 132 HE1 PHE 22 HE2 PHE 22 -3.966 4.429 6.883 133 HE2 PHE 22 HE1 PHE 22 -2.204 3.028 3.263 134 HZ PHE 22 HZ PHE 22 -1.962 3.940 5.538 135 H HIS 23 H HIS 23 -9.590 2.694 4.651 136 HA HIS 23 HA HIS 23 -11.296 1.085 2.934 137 HB2 HIS 23 1HB HIS 23 -11.719 1.786 5.427 138 HB3 HIS 23 2HB HIS 23 -12.322 3.274 4.705 139 HD1 HIS 23 HD1 HIS 23 -14.013 1.022 6.253 140 HD2 HIS 23 HD2 HIS 23 -13.849 1.653 2.149 141 HE1 HIS 23 HE1 HIS 23 -16.138 0.038 5.335 142 H ARG 24 H ARG 24 -10.453 4.493 3.408 143 HA ARG 24 HA ARG 24 -11.916 5.172 0.957 144 HB2 ARG 24 1HB ARG 24 -10.922 6.802 3.280 145 HB3 ARG 24 2HB ARG 24 -11.363 7.565 1.758 146 HG2 ARG 24 1HG ARG 24 -13.226 7.686 3.250 147 HG3 ARG 24 2HG ARG 24 -13.614 6.549 1.957 148 HD2 ARG 24 1HD ARG 24 -14.336 5.638 4.071 149 HD3 ARG 24 2HD ARG 24 -12.986 4.687 3.452 150 HE ARG 24 HE ARG 24 -11.837 6.549 5.093 151 HH11 ARG 24 1HH1 ARG 24 -14.283 4.098 5.453 152 HH12 ARG 24 2HH1 ARG 24 -13.932 3.809 7.125 153 HH21 ARG 24 1HH2 ARG 24 -11.365 6.177 7.294 154 HH22 ARG 24 2HH2 ARG 24 -12.273 4.992 8.171 155 H HIS 25 H HIS 25 -10.833 5.424 -0.875 156 HA HIS 25 HA HIS 25 -8.154 5.012 -1.258 157 HB2 HIS 25 1HB HIS 25 -9.656 5.010 -3.132 158 HB3 HIS 25 2HB HIS 25 -10.062 6.705 -2.877 159 HD1 HIS 25 HD1 HIS 25 -8.375 8.468 -3.712 160 HD2 HIS 25 HD2 HIS 25 -7.227 4.543 -4.450 161 HE1 HIS 25 HE1 HIS 25 -6.459 8.621 -5.334 162 H THR 26 H THR 26 -9.762 8.175 -0.968 163 HA THR 26 HA THR 26 -7.781 9.947 -1.316 164 HB THR 26 HB THR 26 -8.748 11.357 0.485 165 HG1 THR 26 HG1 THR 26 -10.744 10.280 1.432 166 HG21 THR 26 3HG2 THR 26 -11.235 10.395 -0.632 167 HG22 THR 26 1HG2 THR 26 -9.969 10.459 -1.857 168 HG23 THR 26 2HG2 THR 26 -10.379 11.906 -0.937 169 H HIS 27 H HIS 27 -8.214 7.999 1.616 170 HA HIS 27 HA HIS 27 -6.035 9.109 3.038 171 HB2 HIS 27 1HB HIS 27 -7.448 6.452 3.308 172 HB3 HIS 27 2HB HIS 27 -6.221 7.024 4.434 173 HD1 HIS 27 HD1 HIS 27 -9.149 6.449 5.305 174 HD2 HIS 27 HD2 HIS 27 -7.673 10.190 4.263 175 HE1 HIS 27 HE1 HIS 27 -10.669 8.108 6.428 176 H LEU 28 H LEU 28 -6.330 6.006 1.303 177 HA LEU 28 HA LEU 28 -3.768 5.068 1.593 178 HB2 LEU 28 1HB LEU 28 -5.317 3.650 0.562 179 HB3 LEU 28 2HB LEU 28 -5.729 4.847 -0.664 180 HG LEU 28 HG LEU 28 -3.192 4.460 -1.350 181 HD11 LEU 28 1HD1 LEU 28 -2.729 1.996 -1.150 182 HD12 LEU 28 2HD1 LEU 28 -4.002 1.933 0.069 183 HD13 LEU 28 3HD1 LEU 28 -2.568 2.923 0.342 184 HD21 LEU 28 3HD2 LEU 28 -5.062 2.303 -2.187 185 HD22 LEU 28 1HD2 LEU 28 -4.002 3.323 -3.160 186 HD23 LEU 28 2HD2 LEU 28 -5.508 3.978 -2.516 187 H ASN 29 H ASN 29 -4.949 7.113 -1.080 188 HA ASN 29 HA ASN 29 -2.504 7.434 -2.383 189 HB2 ASN 29 1HB ASN 29 -4.813 8.080 -3.225 190 HB3 ASN 29 2HB ASN 29 -4.660 9.544 -2.257 191 HD21 ASN 29 1HD2 ASN 29 -5.048 10.037 -4.764 192 HD22 ASN 29 2HD2 ASN 29 -3.601 10.489 -5.594 193 H GLU 30 H GLU 30 -4.091 9.725 -0.152 194 HA GLU 30 HA GLU 30 -2.008 11.553 0.031 195 HB2 GLU 30 1HB GLU 30 -4.244 10.799 1.882 196 HB3 GLU 30 2HB GLU 30 -3.033 11.966 2.394 197 HG2 GLU 30 1HG GLU 30 -3.579 13.410 0.542 198 HG3 GLU 30 2HG GLU 30 -4.716 12.219 -0.087 199 H HIS 31 H HIS 31 -2.158 8.367 1.191 200 HA HIS 31 HA HIS 31 -0.193 8.777 3.296 201 HB2 HIS 31 1HB HIS 31 -1.642 7.135 4.004 202 HB3 HIS 31 2HB HIS 31 -1.886 6.499 2.380 203 HD1 HIS 31 HD1 HIS 31 0.186 6.089 5.415 204 HD2 HIS 31 HD2 HIS 31 0.136 4.690 1.503 205 HE1 HIS 31 HE1 HIS 31 1.758 4.126 5.383 206 H ARG 32 H ARG 32 -0.432 6.936 0.256 207 HA ARG 32 HA ARG 32 1.988 5.777 0.046 208 HB2 ARG 32 1HB ARG 32 0.507 7.302 -2.099 209 HB3 ARG 32 2HB ARG 32 1.896 6.273 -2.424 210 HG2 ARG 32 1HG ARG 32 0.686 4.344 -1.560 211 HG3 ARG 32 2HG ARG 32 -0.703 5.371 -1.200 212 HD2 ARG 32 1HD ARG 32 -1.244 4.387 -3.246 213 HD3 ARG 32 2HD ARG 32 -0.648 5.987 -3.686 214 HE ARG 32 HE ARG 32 1.559 4.410 -3.828 215 HH11 ARG 32 1HH1 ARG 32 -1.626 4.259 -5.225 216 HH12 ARG 32 2HH1 ARG 32 -1.100 3.441 -6.659 217 HH21 ARG 32 1HH2 ARG 32 2.264 3.333 -5.711 218 HH22 ARG 32 2HH2 ARG 32 1.113 2.914 -6.934 219 H ARG 33 H ARG 33 1.374 9.186 0.061 220 HA ARG 33 HA ARG 33 3.618 10.225 -1.164 221 HB2 ARG 33 1HB ARG 33 2.019 11.179 1.201 222 HB3 ARG 33 2HB ARG 33 3.371 12.107 0.565 223 HG2 ARG 33 1HG ARG 33 1.307 12.947 -0.342 224 HG3 ARG 33 2HG ARG 33 2.253 12.190 -1.626 225 HD2 ARG 33 1HD ARG 33 0.178 10.629 -0.135 226 HD3 ARG 33 2HD ARG 33 -0.286 11.697 -1.458 227 HE ARG 33 HE ARG 33 0.957 9.145 -1.679 228 HH11 ARG 33 1HH1 ARG 33 0.747 12.287 -3.164 229 HH12 ARG 33 2HH1 ARG 33 1.157 11.711 -4.745 230 HH21 ARG 33 1HH2 ARG 33 1.498 8.374 -3.757 231 HH22 ARG 33 2HH2 ARG 33 1.583 9.485 -5.082 232 H ILE 34 H ILE 34 3.260 9.132 2.193 233 HA ILE 34 HA ILE 34 5.676 9.851 3.258 234 HB ILE 34 HB ILE 34 5.471 8.067 4.828 235 HG12 ILE 34 1HG1 ILE 34 3.401 6.769 3.054 236 HG13 ILE 34 2HG1 ILE 34 5.099 6.308 3.031 237 HG21 ILE 34 1HG2 ILE 34 3.232 8.371 5.618 238 HG22 ILE 34 2HG2 ILE 34 3.766 9.882 4.882 239 HG23 ILE 34 3HG2 ILE 34 2.671 8.813 4.006 240 HD11 ILE 34 3HD1 ILE 34 4.245 4.758 4.470 241 HD12 ILE 34 1HD1 ILE 34 4.731 6.016 5.605 242 HD13 ILE 34 2HD1 ILE 34 3.040 5.866 5.126 243 H HIS 35 H HIS 35 5.090 7.566 0.758 244 HA HIS 35 HA HIS 35 7.751 6.382 1.027 245 HB2 HIS 35 1HB HIS 35 5.508 5.714 -0.891 246 HB3 HIS 35 2HB HIS 35 7.020 4.826 -0.731 247 HD1 HIS 35 HD1 HIS 35 7.339 4.182 2.084 248 HD2 HIS 35 HD2 HIS 35 3.562 4.343 0.362 249 HE1 HIS 35 HE1 HIS 35 5.858 2.809 3.582 250 H THR 36 H THR 36 5.994 8.690 -0.843 251 HA THR 36 HA THR 36 8.319 8.993 -2.631 252 HB THR 36 HB THR 36 6.522 8.278 -4.013 253 HG1 THR 36 HG1 THR 36 6.711 9.882 -5.412 254 HG21 THR 36 3HG2 THR 36 4.819 10.434 -2.759 255 HG22 THR 36 1HG2 THR 36 4.700 8.711 -2.403 256 HG23 THR 36 2HG2 THR 36 4.321 9.306 -4.020 257 H GLY 37 H GLY 37 9.439 10.744 -2.083 258 HA2 GLY 37 1HA GLY 37 8.008 13.040 -0.927 259 HA3 GLY 37 2HA GLY 37 9.729 12.723 -0.766 260 H TYR 38 H TYR 38 7.269 13.455 -3.229 261 HA TYR 38 HA TYR 38 8.711 14.124 -5.390 262 HB2 TYR 38 1HB TYR 38 6.980 15.562 -6.065 263 HB3 TYR 38 2HB TYR 38 6.194 14.433 -4.968 264 HD1 TYR 38 HD2 TYR 38 6.147 15.238 -2.436 265 HD2 TYR 38 HD1 TYR 38 6.553 17.815 -5.798 266 HE1 TYR 38 HE2 TYR 38 5.320 17.120 -1.086 267 HE2 TYR 38 HE1 TYR 38 5.729 19.704 -4.456 268 HH TYR 38 HH TYR 38 5.000 19.331 -1.010 269 H ARG 39 H ARG 39 10.305 15.469 -5.919 270 HA ARG 39 HA ARG 39 11.252 17.369 -3.930 271 HB2 ARG 39 1HB ARG 39 12.471 16.600 -6.588 272 HB3 ARG 39 2HB ARG 39 13.248 17.536 -5.318 273 HG2 ARG 39 1HG ARG 39 13.333 15.652 -3.870 274 HG3 ARG 39 2HG ARG 39 12.304 14.706 -4.947 275 HD2 ARG 39 1HD ARG 39 15.078 15.712 -5.572 276 HD3 ARG 39 2HD ARG 39 14.648 14.053 -5.156 277 HE ARG 39 HE ARG 39 13.218 15.064 -7.430 278 HH11 ARG 39 1HH1 ARG 39 16.167 13.557 -6.355 279 HH12 ARG 39 2HH1 ARG 39 16.515 12.842 -7.893 280 HH21 ARG 39 1HH2 ARG 39 13.666 14.127 -9.460 281 HH22 ARG 39 2HH2 ARG 39 15.093 13.167 -9.659 282 HA PRO 40 HA PRO 40 9.520 20.915 -5.879 283 HB2 PRO 40 1HB PRO 40 11.230 22.802 -4.938 284 HB3 PRO 40 2HB PRO 40 9.999 22.033 -3.929 285 HG2 PRO 40 1HG PRO 40 12.922 21.424 -4.144 286 HG3 PRO 40 2HG PRO 40 11.905 21.531 -2.696 287 HD2 PRO 40 1HD PRO 40 12.600 19.166 -3.817 288 HD3 PRO 40 2HD PRO 40 11.050 19.410 -2.986 289 H SER 41 H SER 41 12.701 19.799 -6.500 290 HA SER 41 HA SER 41 13.395 21.822 -8.423 291 HB2 SER 41 1HB SER 41 15.358 20.456 -8.867 292 HB3 SER 41 2HB SER 41 15.109 20.573 -7.125 293 HG SER 41 HG SER 41 14.330 18.401 -8.781 294 H GLY 42 H GLY 42 14.008 21.138 -10.696 295 HA2 GLY 42 1HA GLY 42 12.770 18.907 -11.918 296 HA3 GLY 42 2HA GLY 42 11.738 20.319 -12.093 297 HA PRO 43 HA PRO 43 15.482 20.187 -15.132 298 HB2 PRO 43 1HB PRO 43 14.483 18.690 -17.164 299 HB3 PRO 43 2HB PRO 43 15.432 18.002 -15.841 300 HG2 PRO 43 1HG PRO 43 12.463 18.054 -16.215 301 HG3 PRO 43 2HG PRO 43 13.497 16.725 -15.659 302 HD2 PRO 43 1HD PRO 43 12.059 18.263 -13.956 303 HD3 PRO 43 2HD PRO 43 13.627 17.557 -13.513 304 H SER 44 H SER 44 12.114 20.761 -15.175 305 HA SER 44 HA SER 44 12.023 22.084 -17.727 306 HB2 SER 44 1HB SER 44 10.093 20.946 -16.308 307 HB3 SER 44 2HB SER 44 9.948 22.568 -15.631 308 HG SER 44 HG SER 44 9.178 21.635 -18.061 309 H SER 45 H SER 45 13.537 23.721 -17.710 310 HA SER 45 HA SER 45 12.728 26.216 -16.685 311 HB2 SER 45 1HB SER 45 14.232 26.628 -14.919 312 HB3 SER 45 2HB SER 45 13.620 25.008 -14.591 313 HG SER 45 HG SER 45 15.638 24.496 -16.022 314 H GLY 46 H GLY 46 14.184 27.949 -17.272 315 HA2 GLY 46 1HA GLY 46 16.647 27.530 -18.585 316 HA3 GLY 46 2HA GLY 46 15.364 27.611 -19.784 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.268 -26.107 -0.067 2 HA2 GLY 1 1HA GLY 1 4.461 -23.552 -0.006 3 HA3 GLY 1 2HA GLY 1 4.337 -23.909 -1.722 4 H SER 2 H SER 2 2.622 -25.050 -2.474 5 HA SER 2 HA SER 2 0.398 -25.640 -2.430 6 HB2 SER 2 1HB SER 2 0.041 -27.786 -1.228 7 HB3 SER 2 2HB SER 2 1.514 -27.790 -2.196 8 HG SER 2 HG SER 2 1.252 -28.222 0.417 9 H SER 3 H SER 3 0.772 -23.416 -0.820 10 HA SER 3 HA SER 3 -1.148 -23.942 1.351 11 HB2 SER 3 1HB SER 3 1.215 -22.050 1.408 12 HB3 SER 3 2HB SER 3 -0.031 -22.134 2.653 13 HG SER 3 HG SER 3 1.227 -24.515 1.948 14 H GLY 4 H GLY 4 0.314 -21.190 -0.400 15 HA2 GLY 4 1HA GLY 4 -0.929 -19.765 -1.858 16 HA3 GLY 4 2HA GLY 4 -2.399 -20.250 -1.026 17 H SER 5 H SER 5 -2.787 -17.904 -1.004 18 HA SER 5 HA SER 5 -1.426 -16.638 1.282 19 HB2 SER 5 1HB SER 5 -1.029 -15.680 -1.116 20 HB3 SER 5 2HB SER 5 -2.651 -15.014 -0.927 21 HG SER 5 HG SER 5 -1.900 -13.597 0.436 22 H SER 6 H SER 6 -2.682 -15.758 2.839 23 HA SER 6 HA SER 6 -5.503 -16.366 2.771 24 HB2 SER 6 1HB SER 6 -3.827 -16.516 4.790 25 HB3 SER 6 2HB SER 6 -4.219 -14.808 4.986 26 HG SER 6 HG SER 6 -5.837 -15.621 6.081 27 H GLY 7 H GLY 7 -7.066 -14.670 3.624 28 HA2 GLY 7 1HA GLY 7 -6.389 -11.968 2.693 29 HA3 GLY 7 2HA GLY 7 -7.787 -12.774 1.997 30 H SER 8 H SER 8 -7.951 -10.329 3.341 31 HA SER 8 HA SER 8 -9.000 -10.925 5.995 32 HB2 SER 8 1HB SER 8 -8.242 -8.443 4.523 33 HB3 SER 8 2HB SER 8 -9.448 -8.310 5.803 34 HG SER 8 HG SER 8 -7.856 -9.471 7.134 35 H GLY 9 H GLY 9 -10.130 -9.390 2.982 36 HA2 GLY 9 1HA GLY 9 -12.488 -10.583 2.576 37 HA3 GLY 9 2HA GLY 9 -12.884 -9.506 3.907 38 H GLU 10 H GLU 10 -13.002 -7.295 3.559 39 HA GLU 10 HA GLU 10 -13.224 -6.537 0.739 40 HB2 GLU 10 1HB GLU 10 -14.350 -4.469 1.778 41 HB3 GLU 10 2HB GLU 10 -15.214 -5.998 1.840 42 HG2 GLU 10 1HG GLU 10 -13.484 -5.253 4.137 43 HG3 GLU 10 2HG GLU 10 -15.033 -4.436 3.942 44 H LYS 11 H LYS 11 -10.965 -6.307 0.377 45 HA LYS 11 HA LYS 11 -9.876 -3.807 1.487 46 HB2 LYS 11 1HB LYS 11 -8.830 -5.995 2.364 47 HB3 LYS 11 2HB LYS 11 -8.130 -6.147 0.758 48 HG2 LYS 11 1HG LYS 11 -7.093 -3.903 1.074 49 HG3 LYS 11 2HG LYS 11 -7.673 -3.931 2.742 50 HD2 LYS 11 1HD LYS 11 -5.993 -6.155 1.623 51 HD3 LYS 11 2HD LYS 11 -5.263 -4.694 2.291 52 HE2 LYS 11 1HE LYS 11 -7.236 -6.405 3.792 53 HE3 LYS 11 2HE LYS 11 -5.489 -6.625 3.890 54 HZ1 LYS 11 3HZ LYS 11 -7.038 -4.228 4.702 55 HZ2 LYS 11 1HZ LYS 11 -5.349 -4.271 4.622 56 HZ3 LYS 11 2HZ LYS 11 -6.170 -5.276 5.707 57 HA PRO 12 HA PRO 12 -10.003 -3.691 -3.161 58 HB2 PRO 12 1HB PRO 12 -11.094 -1.209 -3.307 59 HB3 PRO 12 2HB PRO 12 -12.066 -2.679 -3.166 60 HG2 PRO 12 1HG PRO 12 -11.259 -0.730 -1.042 61 HG3 PRO 12 2HG PRO 12 -12.830 -1.507 -1.309 62 HD2 PRO 12 1HD PRO 12 -11.079 -2.370 0.567 63 HD3 PRO 12 2HD PRO 12 -12.173 -3.470 -0.296 64 H TYR 13 H TYR 13 -9.032 -1.313 -0.739 65 HA TYR 13 HA TYR 13 -6.930 -0.369 -2.573 66 HB2 TYR 13 1HB TYR 13 -7.825 1.113 -0.114 67 HB3 TYR 13 2HB TYR 13 -6.980 1.736 -1.526 68 HD1 TYR 13 HD1 TYR 13 -8.229 1.991 -3.684 69 HD2 TYR 13 HD2 TYR 13 -10.192 1.057 -0.027 70 HE1 TYR 13 HE1 TYR 13 -10.374 2.689 -4.664 71 HE2 TYR 13 HE2 TYR 13 -12.343 1.751 -0.997 72 HH TYR 13 HH TYR 13 -12.849 2.160 -4.244 73 H LYS 14 H LYS 14 -4.996 -1.177 -2.151 74 HA LYS 14 HA LYS 14 -4.114 -1.392 0.632 75 HB2 LYS 14 1HB LYS 14 -4.944 -3.630 -0.162 76 HB3 LYS 14 2HB LYS 14 -3.675 -3.603 -1.379 77 HG2 LYS 14 1HG LYS 14 -2.092 -3.253 0.646 78 HG3 LYS 14 2HG LYS 14 -3.447 -3.884 1.584 79 HD2 LYS 14 1HD LYS 14 -3.455 -5.919 0.293 80 HD3 LYS 14 2HD LYS 14 -2.218 -5.279 -0.792 81 HE2 LYS 14 1HE LYS 14 -1.137 -6.756 0.731 82 HE3 LYS 14 2HE LYS 14 -0.695 -5.111 1.187 83 HZ1 LYS 14 3HZ LYS 14 -3.041 -5.922 2.550 84 HZ2 LYS 14 1HZ LYS 14 -1.557 -5.420 3.189 85 HZ3 LYS 14 2HZ LYS 14 -1.806 -7.049 2.808 86 H CYS 15 H CYS 15 -2.060 -0.747 0.948 87 HA CYS 15 HA CYS 15 -0.645 0.449 -1.237 88 HB2 CYS 15 1HB CYS 15 -0.622 1.468 0.991 89 HB3 CYS 15 2HB CYS 15 0.174 0.042 1.647 90 H SER 16 H SER 16 0.616 -0.611 -2.601 91 HA SER 16 HA SER 16 1.709 -3.208 -1.852 92 HB2 SER 16 1HB SER 16 0.538 -2.900 -4.038 93 HB3 SER 16 2HB SER 16 1.827 -1.801 -4.530 94 HG SER 16 HG SER 16 1.783 -4.490 -4.575 95 H GLU 17 H GLU 17 2.861 -1.040 -0.508 96 HA GLU 17 HA GLU 17 5.588 -1.118 -1.609 97 HB2 GLU 17 1HB GLU 17 4.288 1.265 -0.277 98 HB3 GLU 17 2HB GLU 17 5.955 1.179 -0.829 99 HG2 GLU 17 1HG GLU 17 5.380 1.326 -3.043 100 HG3 GLU 17 2HG GLU 17 3.763 0.676 -2.777 101 H CYS 18 H CYS 18 3.525 -0.805 1.231 102 HA CYS 18 HA CYS 18 5.755 -1.816 2.869 103 HB2 CYS 18 1HB CYS 18 4.973 -0.488 4.743 104 HB3 CYS 18 2HB CYS 18 5.269 0.565 3.364 105 H GLY 19 H GLY 19 2.229 -1.589 2.537 106 HA2 GLY 19 1HA GLY 19 1.090 -3.812 2.580 107 HA3 GLY 19 2HA GLY 19 2.030 -4.133 4.030 108 H LYS 20 H LYS 20 0.434 -1.100 3.192 109 HA LYS 20 HA LYS 20 -1.352 -1.499 5.503 110 HB2 LYS 20 1HB LYS 20 0.234 0.869 4.614 111 HB3 LYS 20 2HB LYS 20 -1.314 1.147 5.401 112 HG2 LYS 20 1HG LYS 20 -0.604 0.185 7.404 113 HG3 LYS 20 2HG LYS 20 0.765 -0.622 6.636 114 HD2 LYS 20 1HD LYS 20 1.783 1.591 6.212 115 HD3 LYS 20 2HD LYS 20 0.442 2.347 7.074 116 HE2 LYS 20 1HE LYS 20 1.970 0.187 8.437 117 HE3 LYS 20 2HE LYS 20 2.721 1.775 8.282 118 HZ1 LYS 20 3HZ LYS 20 -0.009 1.450 9.369 119 HZ2 LYS 20 1HZ LYS 20 1.038 2.769 9.530 120 HZ3 LYS 20 2HZ LYS 20 1.358 1.330 10.357 121 H ALA 21 H ALA 21 -3.455 -1.493 5.068 122 HA ALA 21 HA ALA 21 -4.339 -0.512 2.445 123 HB1 ALA 21 3HB ALA 21 -6.044 -2.061 2.482 124 HB2 ALA 21 1HB ALA 21 -4.766 -2.920 3.344 125 HB3 ALA 21 2HB ALA 21 -6.072 -2.147 4.244 126 H PHE 22 H PHE 22 -6.441 0.572 2.329 127 HA PHE 22 HA PHE 22 -7.252 1.946 4.784 128 HB2 PHE 22 1HB PHE 22 -6.751 3.428 2.198 129 HB3 PHE 22 2HB PHE 22 -7.200 4.121 3.753 130 HD1 PHE 22 HD1 PHE 22 -4.498 2.321 1.975 131 HD2 PHE 22 HD2 PHE 22 -5.570 4.730 5.316 132 HE1 PHE 22 HE1 PHE 22 -2.118 2.605 2.530 133 HE2 PHE 22 HE2 PHE 22 -3.192 5.019 5.876 134 HZ PHE 22 HZ PHE 22 -1.462 3.957 4.481 135 H HIS 23 H HIS 23 -9.397 2.092 4.990 136 HA HIS 23 HA HIS 23 -11.159 0.778 3.287 137 HB2 HIS 23 1HB HIS 23 -12.926 1.661 4.625 138 HB3 HIS 23 2HB HIS 23 -11.556 1.404 5.702 139 HD1 HIS 23 HD1 HIS 23 -9.969 3.894 5.517 140 HD2 HIS 23 HD2 HIS 23 -14.122 3.938 5.430 141 HE1 HIS 23 HE1 HIS 23 -10.632 6.213 6.228 142 H ARG 24 H ARG 24 -10.123 4.127 3.333 143 HA ARG 24 HA ARG 24 -11.814 4.643 0.977 144 HB2 ARG 24 1HB ARG 24 -10.995 6.338 3.280 145 HB3 ARG 24 2HB ARG 24 -11.137 7.121 1.712 146 HG2 ARG 24 1HG ARG 24 -13.458 6.033 1.602 147 HG3 ARG 24 2HG ARG 24 -13.258 5.773 3.336 148 HD2 ARG 24 1HD ARG 24 -13.405 8.357 1.821 149 HD3 ARG 24 2HD ARG 24 -14.392 7.814 3.177 150 HE ARG 24 HE ARG 24 -11.651 8.060 3.903 151 HH11 ARG 24 1HH1 ARG 24 -14.560 9.885 3.335 152 HH12 ARG 24 2HH1 ARG 24 -14.103 11.187 4.382 153 HH21 ARG 24 1HH2 ARG 24 -11.038 9.768 5.284 154 HH22 ARG 24 2HH2 ARG 24 -12.099 11.120 5.490 155 H HIS 25 H HIS 25 -10.909 5.927 -0.730 156 HA HIS 25 HA HIS 25 -8.189 5.225 -1.300 157 HB2 HIS 25 1HB HIS 25 -9.742 5.211 -3.125 158 HB3 HIS 25 2HB HIS 25 -10.229 6.872 -2.799 159 HD1 HIS 25 HD1 HIS 25 -9.580 7.639 -5.171 160 HD2 HIS 25 HD2 HIS 25 -6.426 6.037 -2.992 161 HE1 HIS 25 HE1 HIS 25 -7.503 8.233 -6.458 162 H THR 26 H THR 26 -9.917 8.275 -0.728 163 HA THR 26 HA THR 26 -7.966 10.127 -1.128 164 HB THR 26 HB THR 26 -10.222 10.745 -0.422 165 HG1 THR 26 HG1 THR 26 -8.470 11.763 1.557 166 HG21 THR 26 3HG2 THR 26 -9.714 8.961 1.706 167 HG22 THR 26 1HG2 THR 26 -11.187 9.875 1.387 168 HG23 THR 26 2HG2 THR 26 -9.931 10.558 2.420 169 H HIS 27 H HIS 27 -8.188 7.841 1.508 170 HA HIS 27 HA HIS 27 -6.128 9.075 3.085 171 HB2 HIS 27 1HB HIS 27 -7.719 6.551 3.245 172 HB3 HIS 27 2HB HIS 27 -6.231 6.669 4.179 173 HD1 HIS 27 HD1 HIS 27 -7.985 6.474 6.232 174 HD2 HIS 27 HD2 HIS 27 -8.037 10.020 4.067 175 HE1 HIS 27 HE1 HIS 27 -9.180 8.137 7.693 176 H LEU 28 H LEU 28 -6.326 6.187 1.020 177 HA LEU 28 HA LEU 28 -3.676 5.341 1.340 178 HB2 LEU 28 1HB LEU 28 -5.204 3.827 0.384 179 HB3 LEU 28 2HB LEU 28 -5.682 4.976 -0.864 180 HG LEU 28 HG LEU 28 -3.215 4.717 -1.663 181 HD11 LEU 28 1HD1 LEU 28 -3.233 2.937 0.517 182 HD12 LEU 28 2HD1 LEU 28 -1.949 3.198 -0.664 183 HD13 LEU 28 3HD1 LEU 28 -3.166 1.953 -0.945 184 HD21 LEU 28 3HD2 LEU 28 -4.131 2.351 -2.652 185 HD22 LEU 28 1HD2 LEU 28 -4.563 3.942 -3.278 186 HD23 LEU 28 2HD2 LEU 28 -5.630 3.126 -2.135 187 H ASN 29 H ASN 29 -5.121 7.308 -1.258 188 HA ASN 29 HA ASN 29 -2.855 7.773 -2.763 189 HB2 ASN 29 1HB ASN 29 -5.161 8.452 -3.399 190 HB3 ASN 29 2HB ASN 29 -5.069 9.765 -2.230 191 HD21 ASN 29 1HD2 ASN 29 -5.568 10.969 -4.253 192 HD22 ASN 29 2HD2 ASN 29 -4.232 11.510 -5.206 193 H GLU 30 H GLU 30 -3.962 9.443 0.144 194 HA GLU 30 HA GLU 30 -1.844 11.385 0.069 195 HB2 GLU 30 1HB GLU 30 -3.831 12.115 1.116 196 HB3 GLU 30 2HB GLU 30 -3.944 10.662 2.100 197 HG2 GLU 30 1HG GLU 30 -2.432 11.406 3.630 198 HG3 GLU 30 2HG GLU 30 -1.568 12.400 2.458 199 H HIS 31 H HIS 31 -2.267 8.201 1.323 200 HA HIS 31 HA HIS 31 -0.260 8.300 3.339 201 HB2 HIS 31 1HB HIS 31 -1.757 6.541 3.629 202 HB3 HIS 31 2HB HIS 31 -1.729 6.102 1.924 203 HD1 HIS 31 HD1 HIS 31 0.515 5.932 4.978 204 HD2 HIS 31 HD2 HIS 31 -0.051 4.047 1.320 205 HE1 HIS 31 HE1 HIS 31 2.078 3.963 4.989 206 H ARG 32 H ARG 32 -0.264 6.798 0.100 207 HA ARG 32 HA ARG 32 2.251 5.879 -0.127 208 HB2 ARG 32 1HB ARG 32 0.704 7.466 -2.178 209 HB3 ARG 32 2HB ARG 32 2.188 6.597 -2.544 210 HG2 ARG 32 1HG ARG 32 1.199 4.534 -2.320 211 HG3 ARG 32 2HG ARG 32 -0.080 5.144 -1.268 212 HD2 ARG 32 1HD ARG 32 -1.343 5.910 -3.018 213 HD3 ARG 32 2HD ARG 32 0.058 6.161 -4.058 214 HE ARG 32 HE ARG 32 -0.084 3.454 -3.747 215 HH11 ARG 32 1HH1 ARG 32 -2.279 5.924 -4.843 216 HH12 ARG 32 2HH1 ARG 32 -3.123 4.873 -5.932 217 HH21 ARG 32 1HH2 ARG 32 -1.188 2.061 -5.176 218 HH22 ARG 32 2HH2 ARG 32 -2.502 2.676 -6.120 219 H ARG 33 H ARG 33 1.337 9.219 0.122 220 HA ARG 33 HA ARG 33 3.480 10.575 -0.910 221 HB2 ARG 33 1HB ARG 33 1.826 11.096 1.551 222 HB3 ARG 33 2HB ARG 33 3.088 12.207 1.037 223 HG2 ARG 33 1HG ARG 33 0.712 12.723 0.307 224 HG3 ARG 33 2HG ARG 33 1.963 12.756 -0.938 225 HD2 ARG 33 1HD ARG 33 1.335 10.451 -1.575 226 HD3 ARG 33 2HD ARG 33 0.035 10.504 -0.386 227 HE ARG 33 HE ARG 33 -1.190 11.819 -1.818 228 HH11 ARG 33 1HH1 ARG 33 2.097 11.605 -2.945 229 HH12 ARG 33 2HH1 ARG 33 1.759 12.350 -4.472 230 HH21 ARG 33 1HH2 ARG 33 -1.647 12.802 -3.825 231 HH22 ARG 33 2HH2 ARG 33 -0.370 13.032 -4.971 232 H ILE 34 H ILE 34 3.248 9.112 2.320 233 HA ILE 34 HA ILE 34 5.751 9.901 3.276 234 HB ILE 34 HB ILE 34 5.564 8.144 4.914 235 HG12 ILE 34 1HG1 ILE 34 3.115 7.007 3.643 236 HG13 ILE 34 2HG1 ILE 34 4.682 6.525 3.002 237 HG21 ILE 34 1HG2 ILE 34 2.700 8.771 4.663 238 HG22 ILE 34 2HG2 ILE 34 3.815 9.060 5.998 239 HG23 ILE 34 3HG2 ILE 34 3.791 10.156 4.617 240 HD11 ILE 34 3HD1 ILE 34 5.303 5.917 5.379 241 HD12 ILE 34 1HD1 ILE 34 3.591 6.101 5.761 242 HD13 ILE 34 2HD1 ILE 34 4.107 4.895 4.582 243 H HIS 35 H HIS 35 4.886 7.498 0.960 244 HA HIS 35 HA HIS 35 7.432 6.111 1.153 245 HB2 HIS 35 1HB HIS 35 5.012 5.741 -0.612 246 HB3 HIS 35 2HB HIS 35 6.494 4.812 -0.822 247 HD1 HIS 35 HD1 HIS 35 7.093 4.285 2.190 248 HD2 HIS 35 HD2 HIS 35 3.396 3.764 0.368 249 HE1 HIS 35 HE1 HIS 35 5.862 2.631 3.629 250 H THR 36 H THR 36 6.095 8.762 -0.510 251 HA THR 36 HA THR 36 8.322 8.719 -2.443 252 HB THR 36 HB THR 36 6.252 8.555 -3.659 253 HG1 THR 36 HG1 THR 36 7.035 9.973 -5.010 254 HG21 THR 36 3HG2 THR 36 4.842 10.882 -3.288 255 HG22 THR 36 1HG2 THR 36 5.335 10.468 -1.647 256 HG23 THR 36 2HG2 THR 36 4.417 9.311 -2.610 257 H GLY 37 H GLY 37 9.277 9.683 -0.307 258 HA2 GLY 37 1HA GLY 37 8.869 12.610 -0.369 259 HA3 GLY 37 2HA GLY 37 9.340 11.719 1.071 260 H TYR 38 H TYR 38 11.276 10.036 -0.177 261 HA TYR 38 HA TYR 38 13.397 12.026 -0.589 262 HB2 TYR 38 1HB TYR 38 14.140 10.757 1.176 263 HB3 TYR 38 2HB TYR 38 13.310 9.306 0.625 264 HD1 TYR 38 HD2 TYR 38 14.327 7.871 -1.093 265 HD2 TYR 38 HD1 TYR 38 16.377 11.264 0.452 266 HE1 TYR 38 HE2 TYR 38 16.438 7.011 -2.018 267 HE2 TYR 38 HE1 TYR 38 18.493 10.414 -0.470 268 HH TYR 38 HH TYR 38 19.369 8.916 -1.990 269 H ARG 39 H ARG 39 14.451 12.165 -2.468 270 HA ARG 39 HA ARG 39 13.899 10.110 -4.504 271 HB2 ARG 39 1HB ARG 39 14.440 13.066 -4.759 272 HB3 ARG 39 2HB ARG 39 14.512 11.969 -6.132 273 HG2 ARG 39 1HG ARG 39 12.068 12.091 -4.414 274 HG3 ARG 39 2HG ARG 39 12.342 13.285 -5.683 275 HD2 ARG 39 1HD ARG 39 12.791 11.157 -7.150 276 HD3 ARG 39 2HD ARG 39 11.837 10.354 -5.904 277 HE ARG 39 HE ARG 39 10.406 12.593 -6.673 278 HH11 ARG 39 1HH1 ARG 39 11.585 9.668 -8.148 279 HH12 ARG 39 2HH1 ARG 39 10.300 9.579 -9.307 280 HH21 ARG 39 1HH2 ARG 39 8.709 12.487 -8.195 281 HH22 ARG 39 2HH2 ARG 39 8.665 11.184 -9.333 282 HA PRO 40 HA PRO 40 18.168 9.089 -4.689 283 HB2 PRO 40 1HB PRO 40 18.373 8.316 -7.283 284 HB3 PRO 40 2HB PRO 40 17.555 7.345 -6.053 285 HG2 PRO 40 1HG PRO 40 16.384 9.188 -8.101 286 HG3 PRO 40 2HG PRO 40 15.832 7.580 -7.598 287 HD2 PRO 40 1HD PRO 40 14.682 9.861 -6.701 288 HD3 PRO 40 2HD PRO 40 14.786 8.391 -5.711 289 H SER 41 H SER 41 20.007 9.328 -6.584 290 HA SER 41 HA SER 41 20.031 12.181 -7.323 291 HB2 SER 41 1HB SER 41 21.511 11.544 -5.343 292 HB3 SER 41 2HB SER 41 22.487 10.633 -6.494 293 HG SER 41 HG SER 41 23.384 12.442 -7.030 294 H GLY 42 H GLY 42 19.151 10.192 -9.059 295 HA2 GLY 42 1HA GLY 42 19.810 10.471 -11.464 296 HA3 GLY 42 2HA GLY 42 21.412 9.966 -10.948 297 HA PRO 43 HA PRO 43 20.338 5.828 -11.934 298 HB2 PRO 43 1HB PRO 43 22.041 4.493 -10.294 299 HB3 PRO 43 2HB PRO 43 22.577 5.347 -11.746 300 HG2 PRO 43 1HG PRO 43 22.661 6.233 -8.888 301 HG3 PRO 43 2HG PRO 43 23.899 6.397 -10.147 302 HD2 PRO 43 1HD PRO 43 22.269 8.437 -9.432 303 HD3 PRO 43 2HD PRO 43 22.878 8.237 -11.088 304 H SER 44 H SER 44 18.570 4.755 -11.342 305 HA SER 44 HA SER 44 17.117 5.031 -9.058 306 HB2 SER 44 1HB SER 44 17.349 2.811 -11.047 307 HB3 SER 44 2HB SER 44 16.391 2.542 -9.591 308 HG SER 44 HG SER 44 16.012 4.861 -11.142 309 H SER 45 H SER 45 19.314 2.284 -9.664 310 HA SER 45 HA SER 45 19.166 1.167 -7.117 311 HB2 SER 45 1HB SER 45 21.309 0.051 -7.682 312 HB3 SER 45 2HB SER 45 20.139 -0.041 -8.998 313 HG SER 45 HG SER 45 21.314 2.016 -9.688 314 H GLY 46 H GLY 46 19.762 1.934 -5.207 315 HA2 GLY 46 1HA GLY 46 21.997 2.671 -4.116 316 HA3 GLY 46 2HA GLY 46 21.751 4.097 -5.114 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -4.631 -15.803 -0.541 2 HA2 GLY 1 1HA GLY 1 -4.687 -16.044 2.372 3 HA3 GLY 1 2HA GLY 1 -5.744 -15.038 1.392 4 H SER 2 H SER 2 -5.055 -18.386 2.303 5 HA SER 2 HA SER 2 -7.602 -19.308 1.290 6 HB2 SER 2 1HB SER 2 -6.902 -21.504 2.100 7 HB3 SER 2 2HB SER 2 -5.590 -20.749 1.195 8 HG SER 2 HG SER 2 -4.704 -21.546 3.055 9 H SER 3 H SER 3 -8.148 -17.333 3.034 10 HA SER 3 HA SER 3 -9.026 -18.714 5.484 11 HB2 SER 3 1HB SER 3 -8.329 -15.823 4.973 12 HB3 SER 3 2HB SER 3 -9.242 -16.330 6.394 13 HG SER 3 HG SER 3 -6.823 -16.186 6.518 14 H GLY 4 H GLY 4 -9.994 -16.277 3.082 15 HA2 GLY 4 1HA GLY 4 -12.069 -15.928 2.122 16 HA3 GLY 4 2HA GLY 4 -12.679 -17.300 3.035 17 H SER 5 H SER 5 -11.287 -14.147 3.947 18 HA SER 5 HA SER 5 -13.765 -13.583 5.428 19 HB2 SER 5 1HB SER 5 -12.006 -14.357 6.998 20 HB3 SER 5 2HB SER 5 -10.965 -13.044 6.448 21 HG SER 5 HG SER 5 -13.320 -12.934 7.975 22 H SER 6 H SER 6 -13.369 -12.613 2.918 23 HA SER 6 HA SER 6 -12.041 -10.384 2.308 24 HB2 SER 6 1HB SER 6 -13.724 -11.285 0.810 25 HB3 SER 6 2HB SER 6 -15.014 -10.794 1.907 26 HG SER 6 HG SER 6 -13.436 -8.695 1.292 27 H GLY 7 H GLY 7 -11.423 -8.964 3.865 28 HA2 GLY 7 1HA GLY 7 -13.382 -7.027 4.720 29 HA3 GLY 7 2HA GLY 7 -12.738 -8.000 6.035 30 H SER 8 H SER 8 -10.985 -7.255 7.023 31 HA SER 8 HA SER 8 -9.784 -4.821 6.338 32 HB2 SER 8 1HB SER 8 -9.056 -7.036 8.230 33 HB3 SER 8 2HB SER 8 -7.942 -5.694 7.972 34 HG SER 8 HG SER 8 -10.425 -5.738 9.222 35 H GLY 9 H GLY 9 -8.120 -4.273 5.061 36 HA2 GLY 9 1HA GLY 9 -6.151 -4.522 3.841 37 HA3 GLY 9 2HA GLY 9 -6.142 -6.231 4.252 38 H GLU 10 H GLU 10 -8.587 -7.057 3.309 39 HA GLU 10 HA GLU 10 -8.142 -7.691 0.696 40 HB2 GLU 10 1HB GLU 10 -9.989 -8.498 2.318 41 HB3 GLU 10 2HB GLU 10 -10.943 -7.178 1.657 42 HG2 GLU 10 1HG GLU 10 -11.515 -9.158 0.478 43 HG3 GLU 10 2HG GLU 10 -10.580 -8.134 -0.610 44 H LYS 11 H LYS 11 -9.575 -4.754 1.953 45 HA LYS 11 HA LYS 11 -10.848 -3.607 -0.126 46 HB2 LYS 11 1HB LYS 11 -8.977 -2.473 1.912 47 HB3 LYS 11 2HB LYS 11 -9.570 -1.427 0.629 48 HG2 LYS 11 1HG LYS 11 -11.109 -1.053 2.290 49 HG3 LYS 11 2HG LYS 11 -11.905 -2.315 1.348 50 HD2 LYS 11 1HD LYS 11 -11.442 -3.959 2.933 51 HD3 LYS 11 2HD LYS 11 -10.146 -3.015 3.672 52 HE2 LYS 11 1HE LYS 11 -13.012 -2.116 3.731 53 HE3 LYS 11 2HE LYS 11 -12.348 -3.200 4.952 54 HZ1 LYS 11 3HZ LYS 11 -11.091 -0.599 4.315 55 HZ2 LYS 11 1HZ LYS 11 -10.858 -1.569 5.682 56 HZ3 LYS 11 2HZ LYS 11 -12.318 -0.741 5.471 57 HA PRO 12 HA PRO 12 -8.093 -3.396 -3.556 58 HB2 PRO 12 1HB PRO 12 -9.299 -1.400 -4.945 59 HB3 PRO 12 2HB PRO 12 -9.963 -3.035 -4.841 60 HG2 PRO 12 1HG PRO 12 -10.713 -0.585 -3.294 61 HG3 PRO 12 2HG PRO 12 -11.764 -1.814 -4.021 62 HD2 PRO 12 1HD PRO 12 -11.169 -1.784 -1.380 63 HD3 PRO 12 2HD PRO 12 -11.458 -3.289 -2.277 64 H TYR 13 H TYR 13 -8.301 -1.079 -1.176 65 HA TYR 13 HA TYR 13 -6.382 0.720 -2.484 66 HB2 TYR 13 1HB TYR 13 -7.754 1.218 0.152 67 HB3 TYR 13 2HB TYR 13 -6.989 2.389 -0.916 68 HD1 TYR 13 HD2 TYR 13 -9.901 0.113 -0.603 69 HD2 TYR 13 HD1 TYR 13 -8.227 3.477 -2.598 70 HE1 TYR 13 HE2 TYR 13 -12.077 0.564 -1.656 71 HE2 TYR 13 HE1 TYR 13 -10.399 3.939 -3.655 72 HH TYR 13 HH TYR 13 -12.607 2.141 -4.184 73 H LYS 14 H LYS 14 -5.533 -1.842 -1.614 74 HA LYS 14 HA LYS 14 -4.171 -1.517 0.914 75 HB2 LYS 14 1HB LYS 14 -5.099 -3.708 -0.006 76 HB3 LYS 14 2HB LYS 14 -3.726 -3.712 -1.105 77 HG2 LYS 14 1HG LYS 14 -2.368 -3.397 1.130 78 HG3 LYS 14 2HG LYS 14 -3.809 -4.135 1.834 79 HD2 LYS 14 1HD LYS 14 -3.559 -5.955 0.086 80 HD3 LYS 14 2HD LYS 14 -1.966 -5.275 -0.257 81 HE2 LYS 14 1HE LYS 14 -1.347 -5.602 2.104 82 HE3 LYS 14 2HE LYS 14 -2.924 -6.330 2.403 83 HZ1 LYS 14 3HZ LYS 14 -2.294 -7.972 0.607 84 HZ2 LYS 14 1HZ LYS 14 -1.460 -8.108 2.072 85 HZ3 LYS 14 2HZ LYS 14 -0.715 -7.381 0.739 86 H CYS 15 H CYS 15 -2.218 -0.668 1.191 87 HA CYS 15 HA CYS 15 -0.722 0.352 -1.007 88 HB2 CYS 15 1HB CYS 15 -0.568 1.624 0.962 89 HB3 CYS 15 2HB CYS 15 -0.253 0.208 1.960 90 H SER 16 H SER 16 0.341 -0.964 -2.339 91 HA SER 16 HA SER 16 1.544 -3.418 -1.348 92 HB2 SER 16 1HB SER 16 1.001 -2.272 -4.064 93 HB3 SER 16 2HB SER 16 2.193 -3.559 -3.889 94 HG SER 16 HG SER 16 -0.263 -3.925 -2.633 95 H GLU 17 H GLU 17 2.718 -1.090 -0.319 96 HA GLU 17 HA GLU 17 5.367 -1.175 -1.608 97 HB2 GLU 17 1HB GLU 17 4.133 1.169 -0.151 98 HB3 GLU 17 2HB GLU 17 5.732 1.132 -0.879 99 HG2 GLU 17 1HG GLU 17 4.418 2.276 -2.419 100 HG3 GLU 17 2HG GLU 17 4.538 0.644 -3.075 101 H CYS 18 H CYS 18 3.550 -0.977 1.396 102 HA CYS 18 HA CYS 18 5.921 -1.979 2.816 103 HB2 CYS 18 1HB CYS 18 5.426 -0.581 4.733 104 HB3 CYS 18 2HB CYS 18 5.604 0.434 3.305 105 H GLY 19 H GLY 19 2.403 -1.674 2.725 106 HA2 GLY 19 1HA GLY 19 1.263 -3.895 2.991 107 HA3 GLY 19 2HA GLY 19 2.234 -4.071 4.445 108 H LYS 20 H LYS 20 0.258 -1.428 3.095 109 HA LYS 20 HA LYS 20 -1.171 -1.334 5.671 110 HB2 LYS 20 1HB LYS 20 0.415 0.628 4.861 111 HB3 LYS 20 2HB LYS 20 -1.001 1.076 3.919 112 HG2 LYS 20 1HG LYS 20 -2.252 1.580 5.781 113 HG3 LYS 20 2HG LYS 20 -1.297 0.535 6.835 114 HD2 LYS 20 1HD LYS 20 0.583 2.105 6.672 115 HD3 LYS 20 2HD LYS 20 -0.389 3.153 5.636 116 HE2 LYS 20 1HE LYS 20 -0.564 4.094 7.777 117 HE3 LYS 20 2HE LYS 20 -2.070 3.205 7.552 118 HZ1 LYS 20 3HZ LYS 20 -0.854 1.318 8.738 119 HZ2 LYS 20 1HZ LYS 20 -1.380 2.625 9.675 120 HZ3 LYS 20 2HZ LYS 20 0.249 2.500 9.236 121 H ALA 21 H ALA 21 -3.371 -0.312 5.490 122 HA ALA 21 HA ALA 21 -4.654 -0.678 2.894 123 HB1 ALA 21 3HB ALA 21 -5.349 -2.728 3.464 124 HB2 ALA 21 1HB ALA 21 -4.970 -2.486 5.170 125 HB3 ALA 21 2HB ALA 21 -6.493 -1.887 4.511 126 H PHE 22 H PHE 22 -6.624 0.423 2.667 127 HA PHE 22 HA PHE 22 -7.559 2.025 4.921 128 HB2 PHE 22 1HB PHE 22 -7.058 3.368 2.275 129 HB3 PHE 22 2HB PHE 22 -7.350 4.109 3.845 130 HD1 PHE 22 HD1 PHE 22 -4.875 2.464 1.708 131 HD2 PHE 22 HD2 PHE 22 -5.576 4.379 5.444 132 HE1 PHE 22 HE1 PHE 22 -2.447 2.660 2.059 133 HE2 PHE 22 HE2 PHE 22 -3.150 4.579 5.801 134 HZ PHE 22 HZ PHE 22 -1.582 3.720 4.107 135 H HIS 23 H HIS 23 -9.707 2.687 4.763 136 HA HIS 23 HA HIS 23 -11.329 1.083 3.004 137 HB2 HIS 23 1HB HIS 23 -13.228 2.060 4.228 138 HB3 HIS 23 2HB HIS 23 -12.012 1.418 5.328 139 HD1 HIS 23 HD1 HIS 23 -10.327 3.335 6.325 140 HD2 HIS 23 HD2 HIS 23 -13.958 4.616 4.763 141 HE1 HIS 23 HE1 HIS 23 -10.686 5.641 7.262 142 H ARG 24 H ARG 24 -10.413 4.458 3.298 143 HA ARG 24 HA ARG 24 -12.093 5.129 0.986 144 HB2 ARG 24 1HB ARG 24 -10.896 6.714 3.218 145 HB3 ARG 24 2HB ARG 24 -11.207 7.518 1.685 146 HG2 ARG 24 1HG ARG 24 -13.577 6.381 1.989 147 HG3 ARG 24 2HG ARG 24 -13.108 6.448 3.689 148 HD2 ARG 24 1HD ARG 24 -13.241 8.765 1.763 149 HD3 ARG 24 2HD ARG 24 -14.353 8.437 3.092 150 HE ARG 24 HE ARG 24 -11.940 8.609 4.313 151 HH11 ARG 24 1HH1 ARG 24 -13.690 10.682 2.132 152 HH12 ARG 24 2HH1 ARG 24 -13.011 12.143 2.768 153 HH21 ARG 24 1HH2 ARG 24 -11.038 10.526 5.159 154 HH22 ARG 24 2HH2 ARG 24 -11.502 12.053 4.489 155 H HIS 25 H HIS 25 -11.228 6.156 -0.836 156 HA HIS 25 HA HIS 25 -8.681 5.258 -1.651 157 HB2 HIS 25 1HB HIS 25 -10.800 6.001 -3.033 158 HB3 HIS 25 2HB HIS 25 -10.003 7.572 -3.009 159 HD1 HIS 25 HD1 HIS 25 -10.408 5.115 -5.312 160 HD2 HIS 25 HD2 HIS 25 -6.966 6.767 -3.673 161 HE1 HIS 25 HE1 HIS 25 -8.580 4.645 -6.973 162 H THR 26 H THR 26 -9.852 8.465 -0.677 163 HA THR 26 HA THR 26 -7.593 9.974 -1.126 164 HB THR 26 HB THR 26 -9.679 10.984 -0.379 165 HG1 THR 26 HG1 THR 26 -8.712 12.364 1.291 166 HG21 THR 26 3HG2 THR 26 -10.712 10.581 1.612 167 HG22 THR 26 1HG2 THR 26 -9.198 10.267 2.460 168 HG23 THR 26 2HG2 THR 26 -9.900 9.027 1.421 169 H HIS 27 H HIS 27 -8.336 7.930 1.667 170 HA HIS 27 HA HIS 27 -6.136 8.628 3.254 171 HB2 HIS 27 1HB HIS 27 -7.954 6.260 3.109 172 HB3 HIS 27 2HB HIS 27 -6.504 6.154 4.102 173 HD1 HIS 27 HD1 HIS 27 -8.110 5.985 6.185 174 HD2 HIS 27 HD2 HIS 27 -8.251 9.594 4.132 175 HE1 HIS 27 HE1 HIS 27 -9.281 7.590 7.727 176 H LEU 28 H LEU 28 -6.525 5.964 0.929 177 HA LEU 28 HA LEU 28 -4.042 4.774 1.217 178 HB2 LEU 28 1HB LEU 28 -5.700 3.696 -0.088 179 HB3 LEU 28 2HB LEU 28 -5.829 5.072 -1.182 180 HG LEU 28 HG LEU 28 -3.563 4.570 -2.029 181 HD11 LEU 28 1HD1 LEU 28 -2.218 3.300 -0.806 182 HD12 LEU 28 2HD1 LEU 28 -3.216 1.912 -1.242 183 HD13 LEU 28 3HD1 LEU 28 -3.548 2.806 0.242 184 HD21 LEU 28 3HD2 LEU 28 -4.825 1.975 -2.428 185 HD22 LEU 28 1HD2 LEU 28 -4.463 3.252 -3.590 186 HD23 LEU 28 2HD2 LEU 28 -5.941 3.327 -2.630 187 H ASN 29 H ASN 29 -4.975 7.354 -1.055 188 HA ASN 29 HA ASN 29 -2.441 7.698 -2.210 189 HB2 ASN 29 1HB ASN 29 -4.693 8.609 -3.016 190 HB3 ASN 29 2HB ASN 29 -4.457 9.913 -1.856 191 HD21 ASN 29 1HD2 ASN 29 -4.706 10.842 -4.217 192 HD22 ASN 29 2HD2 ASN 29 -3.205 11.247 -4.970 193 H GLU 30 H GLU 30 -4.031 9.601 0.354 194 HA GLU 30 HA GLU 30 -2.085 11.413 0.939 195 HB2 GLU 30 1HB GLU 30 -3.906 9.913 2.819 196 HB3 GLU 30 2HB GLU 30 -2.885 11.244 3.343 197 HG2 GLU 30 1HG GLU 30 -4.890 11.508 1.124 198 HG3 GLU 30 2HG GLU 30 -5.283 11.808 2.816 199 H HIS 31 H HIS 31 -2.218 8.043 2.000 200 HA HIS 31 HA HIS 31 0.086 8.169 3.654 201 HB2 HIS 31 1HB HIS 31 -1.414 6.384 4.071 202 HB3 HIS 31 2HB HIS 31 -1.417 5.888 2.381 203 HD1 HIS 31 HD1 HIS 31 0.920 5.951 5.367 204 HD2 HIS 31 HD2 HIS 31 0.384 3.937 1.773 205 HE1 HIS 31 HE1 HIS 31 2.609 4.088 5.382 206 H ARG 32 H ARG 32 -0.396 6.768 0.408 207 HA ARG 32 HA ARG 32 2.097 5.924 -0.213 208 HB2 ARG 32 1HB ARG 32 0.083 7.368 -1.921 209 HB3 ARG 32 2HB ARG 32 1.593 6.765 -2.590 210 HG2 ARG 32 1HG ARG 32 0.963 4.584 -2.419 211 HG3 ARG 32 2HG ARG 32 -0.079 4.879 -1.026 212 HD2 ARG 32 1HD ARG 32 -1.809 5.733 -2.367 213 HD3 ARG 32 2HD ARG 32 -0.742 5.938 -3.756 214 HE ARG 32 HE ARG 32 -2.078 3.517 -2.927 215 HH11 ARG 32 1HH1 ARG 32 0.498 4.909 -4.810 216 HH12 ARG 32 2HH1 ARG 32 0.625 3.552 -5.880 217 HH21 ARG 32 1HH2 ARG 32 -1.919 1.724 -4.328 218 HH22 ARG 32 2HH2 ARG 32 -0.751 1.741 -5.605 219 H ARG 33 H ARG 33 1.124 9.196 0.308 220 HA ARG 33 HA ARG 33 2.984 10.671 -1.077 221 HB2 ARG 33 1HB ARG 33 1.935 11.130 1.720 222 HB3 ARG 33 2HB ARG 33 2.817 12.329 0.783 223 HG2 ARG 33 1HG ARG 33 1.060 12.316 -0.906 224 HG3 ARG 33 2HG ARG 33 0.180 11.095 0.015 225 HD2 ARG 33 1HD ARG 33 -0.843 13.124 0.588 226 HD3 ARG 33 2HD ARG 33 0.226 12.763 1.943 227 HE ARG 33 HE ARG 33 1.509 14.594 1.392 228 HH11 ARG 33 1HH1 ARG 33 -0.774 13.937 -1.152 229 HH12 ARG 33 2HH1 ARG 33 -0.473 15.427 -1.985 230 HH21 ARG 33 1HH2 ARG 33 1.914 16.558 0.306 231 HH22 ARG 33 2HH2 ARG 33 1.057 16.916 -1.155 232 H ILE 34 H ILE 34 3.394 9.029 2.035 233 HA ILE 34 HA ILE 34 6.030 9.945 2.512 234 HB ILE 34 HB ILE 34 6.171 8.249 4.220 235 HG12 ILE 34 1HG1 ILE 34 3.513 7.095 3.502 236 HG13 ILE 34 2HG1 ILE 34 4.921 6.569 2.586 237 HG21 ILE 34 1HG2 ILE 34 3.593 9.729 3.945 238 HG22 ILE 34 2HG2 ILE 34 3.843 8.654 5.320 239 HG23 ILE 34 3HG2 ILE 34 4.938 10.010 5.050 240 HD11 ILE 34 3HD1 ILE 34 5.885 6.270 5.055 241 HD12 ILE 34 1HD1 ILE 34 4.169 6.037 5.387 242 HD13 ILE 34 2HD1 ILE 34 4.987 5.009 4.210 243 H HIS 35 H HIS 35 4.755 7.580 0.401 244 HA HIS 35 HA HIS 35 7.240 6.086 0.201 245 HB2 HIS 35 1HB HIS 35 4.522 5.819 -1.056 246 HB3 HIS 35 2HB HIS 35 5.901 4.927 -1.692 247 HD1 HIS 35 HD1 HIS 35 7.238 4.086 0.946 248 HD2 HIS 35 HD2 HIS 35 3.154 3.843 0.220 249 HE1 HIS 35 HE1 HIS 35 6.376 2.334 2.531 250 H THR 36 H THR 36 5.490 8.576 -1.499 251 HA THR 36 HA THR 36 7.331 8.466 -3.764 252 HB THR 36 HB THR 36 4.820 8.801 -4.050 253 HG1 THR 36 HG1 THR 36 5.194 10.191 -5.800 254 HG21 THR 36 3HG2 THR 36 4.720 10.530 -2.194 255 HG22 THR 36 1HG2 THR 36 3.877 10.943 -3.686 256 HG23 THR 36 2HG2 THR 36 5.451 11.658 -3.335 257 H GLY 37 H GLY 37 8.754 10.096 -4.298 258 HA2 GLY 37 1HA GLY 37 8.848 12.625 -3.034 259 HA3 GLY 37 2HA GLY 37 9.969 11.531 -2.239 260 H TYR 38 H TYR 38 11.764 10.733 -3.393 261 HA TYR 38 HA TYR 38 12.908 12.580 -5.200 262 HB2 TYR 38 1HB TYR 38 14.832 11.299 -5.070 263 HB3 TYR 38 2HB TYR 38 14.026 10.860 -3.568 264 HD1 TYR 38 HD2 TYR 38 12.105 8.877 -4.242 265 HD2 TYR 38 HD1 TYR 38 15.959 9.487 -5.938 266 HE1 TYR 38 HE2 TYR 38 12.190 6.505 -4.885 267 HE2 TYR 38 HE1 TYR 38 16.054 7.116 -6.587 268 HH TYR 38 HH TYR 38 14.548 4.826 -5.416 269 H ARG 39 H ARG 39 13.659 12.140 -7.379 270 HA ARG 39 HA ARG 39 11.661 10.622 -8.893 271 HB2 ARG 39 1HB ARG 39 13.534 12.862 -9.622 272 HB3 ARG 39 2HB ARG 39 12.721 11.904 -10.853 273 HG2 ARG 39 1HG ARG 39 10.575 12.611 -10.091 274 HG3 ARG 39 2HG ARG 39 11.278 13.388 -8.671 275 HD2 ARG 39 1HD ARG 39 12.169 14.229 -11.392 276 HD3 ARG 39 2HD ARG 39 10.615 14.796 -10.781 277 HE ARG 39 HE ARG 39 12.506 15.264 -8.798 278 HH11 ARG 39 1HH1 ARG 39 11.830 16.304 -12.051 279 HH12 ARG 39 2HH1 ARG 39 12.539 17.870 -11.836 280 HH21 ARG 39 1HH2 ARG 39 13.442 17.323 -8.503 281 HH22 ARG 39 2HH2 ARG 39 13.457 18.448 -9.818 282 HA PRO 40 HA PRO 40 14.542 7.454 -9.911 283 HB2 PRO 40 1HB PRO 40 13.398 6.552 -12.202 284 HB3 PRO 40 2HB PRO 40 12.723 6.231 -10.601 285 HG2 PRO 40 1HG PRO 40 11.927 8.301 -12.611 286 HG3 PRO 40 2HG PRO 40 10.898 7.260 -11.611 287 HD2 PRO 40 1HD PRO 40 11.394 9.848 -10.989 288 HD3 PRO 40 2HD PRO 40 11.132 8.602 -9.752 289 H SER 41 H SER 41 16.464 7.433 -10.904 290 HA SER 41 HA SER 41 17.309 9.518 -12.581 291 HB2 SER 41 1HB SER 41 19.378 8.237 -12.842 292 HB3 SER 41 2HB SER 41 18.841 8.192 -11.163 293 HG SER 41 HG SER 41 17.905 6.122 -11.653 294 H GLY 42 H GLY 42 16.449 6.149 -13.319 295 HA2 GLY 42 1HA GLY 42 15.388 6.783 -15.858 296 HA3 GLY 42 2HA GLY 42 17.028 6.182 -16.051 297 HA PRO 43 HA PRO 43 15.776 2.000 -15.642 298 HB2 PRO 43 1HB PRO 43 17.348 0.929 -13.705 299 HB3 PRO 43 2HB PRO 43 17.962 1.380 -15.300 300 HG2 PRO 43 1HG PRO 43 18.121 2.881 -12.715 301 HG3 PRO 43 2HG PRO 43 19.371 2.645 -13.951 302 HD2 PRO 43 1HD PRO 43 17.931 4.930 -13.752 303 HD3 PRO 43 2HD PRO 43 18.523 4.306 -15.305 304 H SER 44 H SER 44 13.665 2.053 -14.915 305 HA SER 44 HA SER 44 13.167 0.984 -12.328 306 HB2 SER 44 1HB SER 44 11.877 2.823 -11.380 307 HB3 SER 44 2HB SER 44 13.524 3.361 -11.711 308 HG SER 44 HG SER 44 11.481 3.727 -13.616 309 H SER 45 H SER 45 10.770 0.784 -11.918 310 HA SER 45 HA SER 45 9.491 -0.530 -13.941 311 HB2 SER 45 1HB SER 45 8.532 0.836 -11.468 312 HB3 SER 45 2HB SER 45 7.326 0.294 -12.634 313 HG SER 45 HG SER 45 8.382 -1.800 -12.507 314 H GLY 46 H GLY 46 8.007 -0.044 -15.536 315 HA2 GLY 46 1HA GLY 46 8.293 2.298 -16.971 316 HA3 GLY 46 2HA GLY 46 6.910 1.223 -17.108 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.370 -28.758 -10.002 2 HA2 GLY 1 1HA GLY 1 -9.319 -28.369 -8.221 3 HA3 GLY 1 2HA GLY 1 -8.082 -29.088 -7.200 4 H SER 2 H SER 2 -9.013 -26.581 -6.642 5 HA SER 2 HA SER 2 -6.586 -25.035 -6.847 6 HB2 SER 2 1HB SER 2 -9.155 -23.981 -8.053 7 HB3 SER 2 2HB SER 2 -7.690 -23.033 -7.800 8 HG SER 2 HG SER 2 -7.956 -23.942 -9.952 9 H SER 3 H SER 3 -6.434 -23.415 -5.289 10 HA SER 3 HA SER 3 -8.715 -22.891 -3.564 11 HB2 SER 3 1HB SER 3 -6.286 -24.428 -2.707 12 HB3 SER 3 2HB SER 3 -7.119 -23.392 -1.549 13 HG SER 3 HG SER 3 -8.682 -24.793 -1.444 14 H GLY 4 H GLY 4 -8.683 -20.869 -2.761 15 HA2 GLY 4 1HA GLY 4 -6.775 -19.296 -1.774 16 HA3 GLY 4 2HA GLY 4 -6.427 -19.178 -3.492 17 H SER 5 H SER 5 -9.398 -19.159 -1.517 18 HA SER 5 HA SER 5 -10.068 -16.555 -2.705 19 HB2 SER 5 1HB SER 5 -12.343 -17.228 -3.113 20 HB3 SER 5 2HB SER 5 -11.287 -18.421 -3.871 21 HG SER 5 HG SER 5 -12.891 -18.652 -1.582 22 H SER 6 H SER 6 -10.832 -18.924 -0.177 23 HA SER 6 HA SER 6 -12.472 -17.670 1.510 24 HB2 SER 6 1HB SER 6 -11.185 -18.646 3.420 25 HB3 SER 6 2HB SER 6 -11.473 -19.791 2.110 26 HG SER 6 HG SER 6 -9.088 -18.521 2.877 27 H GLY 7 H GLY 7 -12.585 -15.527 1.821 28 HA2 GLY 7 1HA GLY 7 -10.359 -14.245 3.210 29 HA3 GLY 7 2HA GLY 7 -10.859 -13.526 1.686 30 H SER 8 H SER 8 -11.230 -13.370 4.958 31 HA SER 8 HA SER 8 -13.990 -12.392 4.844 32 HB2 SER 8 1HB SER 8 -13.693 -13.899 6.653 33 HB3 SER 8 2HB SER 8 -12.172 -13.144 7.132 34 HG SER 8 HG SER 8 -13.376 -12.032 8.442 35 H GLY 9 H GLY 9 -14.242 -10.305 4.413 36 HA2 GLY 9 1HA GLY 9 -13.966 -8.027 4.465 37 HA3 GLY 9 2HA GLY 9 -13.119 -8.261 5.987 38 H GLU 10 H GLU 10 -12.828 -7.370 2.744 39 HA GLU 10 HA GLU 10 -9.963 -6.992 3.078 40 HB2 GLU 10 1HB GLU 10 -10.354 -9.234 1.953 41 HB3 GLU 10 2HB GLU 10 -11.014 -8.338 0.592 42 HG2 GLU 10 1HG GLU 10 -8.946 -7.342 0.104 43 HG3 GLU 10 2HG GLU 10 -8.264 -7.807 1.661 44 H LYS 11 H LYS 11 -9.575 -4.946 2.592 45 HA LYS 11 HA LYS 11 -11.434 -3.443 0.953 46 HB2 LYS 11 1HB LYS 11 -9.134 -2.766 2.737 47 HB3 LYS 11 2HB LYS 11 -9.634 -1.596 1.523 48 HG2 LYS 11 1HG LYS 11 -11.686 -1.240 2.517 49 HG3 LYS 11 2HG LYS 11 -11.661 -2.789 3.363 50 HD2 LYS 11 1HD LYS 11 -9.607 -0.716 4.009 51 HD3 LYS 11 2HD LYS 11 -11.236 -0.567 4.673 52 HE2 LYS 11 1HE LYS 11 -11.052 -2.749 5.701 53 HE3 LYS 11 2HE LYS 11 -9.475 -3.000 4.954 54 HZ1 LYS 11 3HZ LYS 11 -9.875 -1.998 7.424 55 HZ2 LYS 11 1HZ LYS 11 -9.658 -0.587 6.515 56 HZ3 LYS 11 2HZ LYS 11 -8.465 -1.787 6.513 57 HA PRO 12 HA PRO 12 -9.150 -3.723 -2.800 58 HB2 PRO 12 1HB PRO 12 -10.033 -1.460 -4.014 59 HB3 PRO 12 2HB PRO 12 -11.034 -2.906 -3.832 60 HG2 PRO 12 1HG PRO 12 -11.006 -0.402 -2.191 61 HG3 PRO 12 2HG PRO 12 -12.392 -1.338 -2.782 62 HD2 PRO 12 1HD PRO 12 -11.482 -1.531 -0.239 63 HD3 PRO 12 2HD PRO 12 -12.216 -2.901 -1.097 64 H TYR 13 H TYR 13 -8.783 -1.133 -0.574 65 HA TYR 13 HA TYR 13 -6.537 0.017 -2.054 66 HB2 TYR 13 1HB TYR 13 -7.731 0.942 0.564 67 HB3 TYR 13 2HB TYR 13 -6.605 1.829 -0.457 68 HD1 TYR 13 HD1 TYR 13 -7.568 1.907 -3.050 69 HD2 TYR 13 HD2 TYR 13 -9.874 1.767 0.523 70 HE1 TYR 13 HE1 TYR 13 -9.456 2.945 -4.236 71 HE2 TYR 13 HE2 TYR 13 -11.770 2.803 -0.654 72 HH TYR 13 HH TYR 13 -11.695 3.367 -4.120 73 H LYS 14 H LYS 14 -4.857 -1.387 -1.829 74 HA LYS 14 HA LYS 14 -3.868 -1.791 0.913 75 HB2 LYS 14 1HB LYS 14 -4.675 -3.930 0.339 76 HB3 LYS 14 2HB LYS 14 -4.089 -3.802 -1.314 77 HG2 LYS 14 1HG LYS 14 -2.675 -5.329 -0.191 78 HG3 LYS 14 2HG LYS 14 -1.758 -3.835 -0.391 79 HD2 LYS 14 1HD LYS 14 -1.301 -4.260 1.804 80 HD3 LYS 14 2HD LYS 14 -2.783 -3.321 1.998 81 HE2 LYS 14 1HE LYS 14 -2.977 -6.277 1.671 82 HE3 LYS 14 2HE LYS 14 -2.460 -5.626 3.226 83 HZ1 LYS 14 3HZ LYS 14 -4.543 -4.139 2.945 84 HZ2 LYS 14 1HZ LYS 14 -4.725 -5.735 3.475 85 HZ3 LYS 14 2HZ LYS 14 -5.050 -5.337 1.864 86 H CYS 15 H CYS 15 -2.297 -0.248 0.864 87 HA CYS 15 HA CYS 15 -0.664 0.427 -1.284 88 HB2 CYS 15 1HB CYS 15 -0.839 1.819 0.713 89 HB3 CYS 15 2HB CYS 15 -0.057 0.569 1.677 90 H SER 16 H SER 16 0.520 -0.977 -2.409 91 HA SER 16 HA SER 16 1.620 -3.358 -1.312 92 HB2 SER 16 1HB SER 16 1.101 -3.439 -3.617 93 HB3 SER 16 2HB SER 16 1.963 -1.937 -3.949 94 HG SER 16 HG SER 16 3.633 -3.130 -4.347 95 H GLU 17 H GLU 17 2.863 -0.137 -1.915 96 HA GLU 17 HA GLU 17 5.563 -0.434 -1.853 97 HB2 GLU 17 1HB GLU 17 4.103 1.639 -0.213 98 HB3 GLU 17 2HB GLU 17 5.722 1.766 -0.885 99 HG2 GLU 17 1HG GLU 17 4.523 1.453 -3.163 100 HG3 GLU 17 2HG GLU 17 3.084 1.935 -2.267 101 H CYS 18 H CYS 18 3.467 -0.263 1.021 102 HA CYS 18 HA CYS 18 5.632 -1.546 2.556 103 HB2 CYS 18 1HB CYS 18 4.739 -0.402 4.556 104 HB3 CYS 18 2HB CYS 18 5.282 0.737 3.327 105 H GLY 19 H GLY 19 2.162 -1.332 1.985 106 HA2 GLY 19 1HA GLY 19 0.951 -3.461 1.897 107 HA3 GLY 19 2HA GLY 19 1.881 -3.962 3.301 108 H LYS 20 H LYS 20 0.481 -0.769 2.926 109 HA LYS 20 HA LYS 20 -1.017 -1.152 5.380 110 HB2 LYS 20 1HB LYS 20 -0.348 1.206 3.653 111 HB3 LYS 20 2HB LYS 20 -1.638 1.328 4.842 112 HG2 LYS 20 1HG LYS 20 0.988 0.271 5.737 113 HG3 LYS 20 2HG LYS 20 0.849 2.000 5.407 114 HD2 LYS 20 1HD LYS 20 -0.867 2.259 7.025 115 HD3 LYS 20 2HD LYS 20 -1.070 0.513 7.189 116 HE2 LYS 20 1HE LYS 20 1.037 0.291 8.271 117 HE3 LYS 20 2HE LYS 20 1.482 1.953 7.883 118 HZ1 LYS 20 3HZ LYS 20 -0.015 0.955 10.094 119 HZ2 LYS 20 1HZ LYS 20 -0.865 2.166 9.273 120 HZ3 LYS 20 2HZ LYS 20 0.686 2.478 9.872 121 H ALA 21 H ALA 21 -3.285 -0.336 5.503 122 HA ALA 21 HA ALA 21 -4.793 -0.731 3.018 123 HB1 ALA 21 3HB ALA 21 -6.049 -2.458 3.769 124 HB2 ALA 21 1HB ALA 21 -4.603 -2.777 4.728 125 HB3 ALA 21 2HB ALA 21 -5.972 -1.930 5.450 126 H PHE 22 H PHE 22 -6.470 0.634 2.766 127 HA PHE 22 HA PHE 22 -7.396 2.157 5.102 128 HB2 PHE 22 1HB PHE 22 -6.844 3.376 2.390 129 HB3 PHE 22 2HB PHE 22 -7.377 4.223 3.838 130 HD1 PHE 22 HD1 PHE 22 -4.557 2.411 2.300 131 HD2 PHE 22 HD2 PHE 22 -5.837 4.934 5.480 132 HE1 PHE 22 HE1 PHE 22 -2.210 2.812 2.922 133 HE2 PHE 22 HE2 PHE 22 -3.493 5.340 6.106 134 HZ PHE 22 HZ PHE 22 -1.676 4.280 4.826 135 H HIS 23 H HIS 23 -9.543 2.875 5.019 136 HA HIS 23 HA HIS 23 -11.344 1.176 3.673 137 HB2 HIS 23 1HB HIS 23 -11.603 2.683 5.837 138 HB3 HIS 23 2HB HIS 23 -12.250 3.839 4.677 139 HD1 HIS 23 HD1 HIS 23 -13.307 1.210 6.837 140 HD2 HIS 23 HD2 HIS 23 -14.434 2.524 3.060 141 HE1 HIS 23 HE1 HIS 23 -15.605 0.265 6.455 142 H ARG 24 H ARG 24 -10.626 4.633 3.182 143 HA ARG 24 HA ARG 24 -11.917 4.462 0.549 144 HB2 ARG 24 1HB ARG 24 -11.449 6.679 2.490 145 HB3 ARG 24 2HB ARG 24 -11.522 7.075 0.778 146 HG2 ARG 24 1HG ARG 24 -13.670 5.575 2.259 147 HG3 ARG 24 2HG ARG 24 -13.682 7.316 1.974 148 HD2 ARG 24 1HD ARG 24 -13.294 6.523 -0.528 149 HD3 ARG 24 2HD ARG 24 -14.088 5.069 0.075 150 HE ARG 24 HE ARG 24 -15.311 7.585 -0.475 151 HH11 ARG 24 1HH1 ARG 24 -15.470 4.785 1.588 152 HH12 ARG 24 2HH1 ARG 24 -17.164 4.955 1.907 153 HH21 ARG 24 1HH2 ARG 24 -17.542 7.819 -0.062 154 HH22 ARG 24 2HH2 ARG 24 -18.342 6.680 0.967 155 H HIS 25 H HIS 25 -10.883 5.812 -1.187 156 HA HIS 25 HA HIS 25 -8.187 4.969 -1.545 157 HB2 HIS 25 1HB HIS 25 -9.449 5.076 -3.522 158 HB3 HIS 25 2HB HIS 25 -10.076 6.678 -3.143 159 HD1 HIS 25 HD1 HIS 25 -8.347 8.688 -3.419 160 HD2 HIS 25 HD2 HIS 25 -7.154 5.045 -5.021 161 HE1 HIS 25 HE1 HIS 25 -6.446 9.228 -4.975 162 H THR 26 H THR 26 -9.700 8.150 -1.073 163 HA THR 26 HA THR 26 -7.637 9.871 -1.294 164 HB THR 26 HB THR 26 -8.626 11.252 0.482 165 HG1 THR 26 HG1 THR 26 -10.266 10.423 1.768 166 HG21 THR 26 3HG2 THR 26 -11.020 10.087 -0.831 167 HG22 THR 26 1HG2 THR 26 -9.736 10.691 -1.877 168 HG23 THR 26 2HG2 THR 26 -10.502 11.768 -0.708 169 H HIS 27 H HIS 27 -8.286 7.872 1.573 170 HA HIS 27 HA HIS 27 -6.123 8.798 3.113 171 HB2 HIS 27 1HB HIS 27 -7.821 6.328 3.165 172 HB3 HIS 27 2HB HIS 27 -6.411 6.442 4.214 173 HD1 HIS 27 HD1 HIS 27 -9.265 6.288 5.377 174 HD2 HIS 27 HD2 HIS 27 -7.213 9.829 4.657 175 HE1 HIS 27 HE1 HIS 27 -10.310 7.993 6.901 176 H LEU 28 H LEU 28 -6.424 5.836 1.151 177 HA LEU 28 HA LEU 28 -3.903 4.798 1.504 178 HB2 LEU 28 1HB LEU 28 -5.417 3.478 0.322 179 HB3 LEU 28 2HB LEU 28 -5.788 4.765 -0.823 180 HG LEU 28 HG LEU 28 -3.351 4.452 -1.619 181 HD11 LEU 28 1HD1 LEU 28 -3.471 2.498 0.438 182 HD12 LEU 28 2HD1 LEU 28 -2.126 2.895 -0.630 183 HD13 LEU 28 3HD1 LEU 28 -3.298 1.667 -1.108 184 HD21 LEU 28 3HD2 LEU 28 -4.989 3.892 -3.153 185 HD22 LEU 28 1HD2 LEU 28 -5.671 2.633 -2.123 186 HD23 LEU 28 2HD2 LEU 28 -4.134 2.362 -2.945 187 H ASN 29 H ASN 29 -4.908 7.018 -1.101 188 HA ASN 29 HA ASN 29 -2.379 7.354 -2.245 189 HB2 ASN 29 1HB ASN 29 -4.767 8.116 -3.038 190 HB3 ASN 29 2HB ASN 29 -4.346 9.613 -2.210 191 HD21 ASN 29 1HD2 ASN 29 -4.553 10.514 -4.373 192 HD22 ASN 29 2HD2 ASN 29 -3.193 10.452 -5.437 193 H GLU 30 H GLU 30 -4.087 9.675 -0.135 194 HA GLU 30 HA GLU 30 -2.079 11.475 0.288 195 HB2 GLU 30 1HB GLU 30 -4.254 10.490 2.114 196 HB3 GLU 30 2HB GLU 30 -3.126 11.733 2.636 197 HG2 GLU 30 1HG GLU 30 -3.800 13.020 0.563 198 HG3 GLU 30 2HG GLU 30 -5.113 11.857 0.392 199 H HIS 31 H HIS 31 -2.206 8.221 1.366 200 HA HIS 31 HA HIS 31 -0.205 8.583 3.436 201 HB2 HIS 31 1HB HIS 31 -1.627 6.897 4.095 202 HB3 HIS 31 2HB HIS 31 -1.869 6.311 2.452 203 HD1 HIS 31 HD1 HIS 31 0.369 5.954 5.412 204 HD2 HIS 31 HD2 HIS 31 0.036 4.448 1.555 205 HE1 HIS 31 HE1 HIS 31 1.937 3.991 5.320 206 H ARG 32 H ARG 32 -0.442 6.792 0.362 207 HA ARG 32 HA ARG 32 1.991 5.699 0.084 208 HB2 ARG 32 1HB ARG 32 0.316 7.174 -1.926 209 HB3 ARG 32 2HB ARG 32 1.856 6.464 -2.394 210 HG2 ARG 32 1HG ARG 32 1.110 4.291 -2.001 211 HG3 ARG 32 2HG ARG 32 -0.248 4.838 -1.017 212 HD2 ARG 32 1HD ARG 32 -1.456 5.565 -2.885 213 HD3 ARG 32 2HD ARG 32 -0.028 5.563 -3.918 214 HE ARG 32 HE ARG 32 -1.783 3.387 -3.455 215 HH11 ARG 32 1HH1 ARG 32 1.575 4.160 -3.952 216 HH12 ARG 32 2HH1 ARG 32 1.965 2.614 -4.630 217 HH21 ARG 32 1HH2 ARG 32 -1.282 1.348 -4.346 218 HH22 ARG 32 2HH2 ARG 32 0.339 1.016 -4.854 219 H ARG 33 H ARG 33 1.316 9.106 0.147 220 HA ARG 33 HA ARG 33 3.528 10.218 -1.044 221 HB2 ARG 33 1HB ARG 33 1.944 11.057 1.373 222 HB3 ARG 33 2HB ARG 33 3.286 12.025 0.776 223 HG2 ARG 33 1HG ARG 33 1.226 12.895 -0.094 224 HG3 ARG 33 2HG ARG 33 2.157 12.181 -1.412 225 HD2 ARG 33 1HD ARG 33 0.114 10.549 0.037 226 HD3 ARG 33 2HD ARG 33 -0.393 11.693 -1.205 227 HE ARG 33 HE ARG 33 0.952 9.184 -1.603 228 HH11 ARG 33 1HH1 ARG 33 0.312 12.334 -2.940 229 HH12 ARG 33 2HH1 ARG 33 0.588 11.839 -4.577 230 HH21 ARG 33 1HH2 ARG 33 1.319 8.521 -3.754 231 HH22 ARG 33 2HH2 ARG 33 1.160 9.670 -5.039 232 H ILE 34 H ILE 34 3.248 9.046 2.298 233 HA ILE 34 HA ILE 34 5.670 9.748 3.338 234 HB ILE 34 HB ILE 34 5.544 7.853 4.816 235 HG12 ILE 34 1HG1 ILE 34 3.263 6.673 3.275 236 HG13 ILE 34 2HG1 ILE 34 4.914 6.310 2.784 237 HG21 ILE 34 1HG2 ILE 34 3.267 8.099 5.659 238 HG22 ILE 34 2HG2 ILE 34 3.938 9.656 5.175 239 HG23 ILE 34 3HG2 ILE 34 2.776 8.835 4.133 240 HD11 ILE 34 3HD1 ILE 34 4.722 4.612 4.218 241 HD12 ILE 34 1HD1 ILE 34 5.038 5.834 5.449 242 HD13 ILE 34 2HD1 ILE 34 3.379 5.360 5.082 243 H HIS 35 H HIS 35 5.087 7.566 0.752 244 HA HIS 35 HA HIS 35 7.716 6.327 0.954 245 HB2 HIS 35 1HB HIS 35 5.510 5.950 -1.082 246 HB3 HIS 35 2HB HIS 35 7.000 5.014 -1.012 247 HD1 HIS 35 HD1 HIS 35 7.175 4.271 1.899 248 HD2 HIS 35 HD2 HIS 35 3.602 4.240 -0.220 249 HE1 HIS 35 HE1 HIS 35 5.663 2.701 3.154 250 H THR 36 H THR 36 5.994 8.700 -0.963 251 HA THR 36 HA THR 36 8.218 8.996 -2.817 252 HB THR 36 HB THR 36 6.829 10.619 -3.981 253 HG1 THR 36 HG1 THR 36 5.148 11.533 -3.045 254 HG21 THR 36 3HG2 THR 36 4.677 9.058 -4.137 255 HG22 THR 36 1HG2 THR 36 5.735 7.953 -3.260 256 HG23 THR 36 2HG2 THR 36 6.228 8.587 -4.830 257 H GLY 37 H GLY 37 8.981 9.565 -0.220 258 HA2 GLY 37 1HA GLY 37 8.855 12.431 0.196 259 HA3 GLY 37 2HA GLY 37 9.695 11.264 1.206 260 H TYR 38 H TYR 38 11.697 10.299 0.217 261 HA TYR 38 HA TYR 38 13.103 12.326 -1.396 262 HB2 TYR 38 1HB TYR 38 14.978 12.205 -0.056 263 HB3 TYR 38 2HB TYR 38 13.710 11.970 1.141 264 HD1 TYR 38 HD1 TYR 38 16.147 10.146 -0.987 265 HD2 TYR 38 HD2 TYR 38 13.650 10.025 2.456 266 HE1 TYR 38 HE1 TYR 38 17.183 8.019 -0.318 267 HE2 TYR 38 HE2 TYR 38 14.681 7.898 3.136 268 HH TYR 38 HH TYR 38 17.495 6.787 2.048 269 H ARG 39 H ARG 39 14.402 11.627 -3.042 270 HA ARG 39 HA ARG 39 14.379 8.728 -3.574 271 HB2 ARG 39 1HB ARG 39 14.089 11.083 -5.417 272 HB3 ARG 39 2HB ARG 39 14.657 9.533 -6.022 273 HG2 ARG 39 1HG ARG 39 12.102 9.768 -4.474 274 HG3 ARG 39 2HG ARG 39 12.167 10.057 -6.213 275 HD2 ARG 39 1HD ARG 39 13.315 7.555 -5.037 276 HD3 ARG 39 2HD ARG 39 11.584 7.689 -5.344 277 HE ARG 39 HE ARG 39 13.671 7.378 -7.293 278 HH11 ARG 39 1HH1 ARG 39 10.434 8.527 -6.726 279 HH12 ARG 39 2HH1 ARG 39 9.950 8.377 -8.383 280 HH21 ARG 39 1HH2 ARG 39 13.046 7.175 -9.478 281 HH22 ARG 39 2HH2 ARG 39 11.436 7.606 -9.947 282 HA PRO 40 HA PRO 40 18.778 8.827 -3.508 283 HB2 PRO 40 1HB PRO 40 19.285 6.634 -5.027 284 HB3 PRO 40 2HB PRO 40 18.678 6.535 -3.370 285 HG2 PRO 40 1HG PRO 40 17.179 6.314 -5.952 286 HG3 PRO 40 2HG PRO 40 17.022 5.338 -4.480 287 HD2 PRO 40 1HD PRO 40 15.303 7.339 -5.092 288 HD3 PRO 40 2HD PRO 40 15.724 6.920 -3.419 289 H SER 41 H SER 41 17.429 8.035 -6.719 290 HA SER 41 HA SER 41 19.645 9.423 -8.002 291 HB2 SER 41 1HB SER 41 17.427 7.651 -9.002 292 HB3 SER 41 2HB SER 41 18.400 8.609 -10.118 293 HG SER 41 HG SER 41 19.989 7.261 -9.856 294 H GLY 42 H GLY 42 16.141 9.397 -8.671 295 HA2 GLY 42 1HA GLY 42 14.665 11.148 -8.963 296 HA3 GLY 42 2HA GLY 42 15.899 12.234 -8.341 297 HA PRO 43 HA PRO 43 16.591 11.701 -13.125 298 HB2 PRO 43 1HB PRO 43 14.419 10.819 -14.495 299 HB3 PRO 43 2HB PRO 43 15.664 9.733 -13.866 300 HG2 PRO 43 1HG PRO 43 12.984 10.410 -12.716 301 HG3 PRO 43 2HG PRO 43 13.783 8.832 -12.838 302 HD2 PRO 43 1HD PRO 43 13.745 10.272 -10.545 303 HD3 PRO 43 2HD PRO 43 15.102 9.215 -10.987 304 H SER 44 H SER 44 13.960 12.964 -11.403 305 HA SER 44 HA SER 44 12.395 14.439 -12.976 306 HB2 SER 44 1HB SER 44 13.883 15.443 -10.541 307 HB3 SER 44 2HB SER 44 12.535 16.298 -11.290 308 HG SER 44 HG SER 44 11.170 14.836 -10.548 309 H SER 45 H SER 45 15.520 15.790 -11.904 310 HA SER 45 HA SER 45 15.488 17.621 -14.168 311 HB2 SER 45 1HB SER 45 17.136 18.858 -13.045 312 HB3 SER 45 2HB SER 45 16.134 18.234 -11.735 313 HG SER 45 HG SER 45 17.723 16.454 -11.671 314 H GLY 46 H GLY 46 16.625 17.338 -15.977 315 HA2 GLY 46 1HA GLY 46 18.830 16.743 -16.929 316 HA3 GLY 46 2HA GLY 46 18.746 15.279 -15.960 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -17.989 -14.733 -0.832 2 HA2 GLY 1 1HA GLY 1 -20.183 -15.998 -1.213 3 HA3 GLY 1 2HA GLY 1 -18.860 -16.422 -2.290 4 H SER 2 H SER 2 -18.730 -18.537 -2.572 5 HA SER 2 HA SER 2 -19.694 -20.344 -0.503 6 HB2 SER 2 1HB SER 2 -20.470 -20.891 -2.688 7 HB3 SER 2 2HB SER 2 -18.851 -20.756 -3.374 8 HG SER 2 HG SER 2 -19.107 -22.891 -3.105 9 H SER 3 H SER 3 -18.328 -20.973 1.022 10 HA SER 3 HA SER 3 -16.402 -21.515 2.120 11 HB2 SER 3 1HB SER 3 -16.813 -23.494 0.553 12 HB3 SER 3 2HB SER 3 -15.547 -22.812 -0.467 13 HG SER 3 HG SER 3 -14.544 -22.826 1.930 14 H GLY 4 H GLY 4 -16.333 -18.944 1.064 15 HA2 GLY 4 1HA GLY 4 -13.712 -18.621 -0.185 16 HA3 GLY 4 2HA GLY 4 -14.906 -17.356 0.067 17 H SER 5 H SER 5 -12.501 -19.370 1.686 18 HA SER 5 HA SER 5 -12.604 -18.093 4.193 19 HB2 SER 5 1HB SER 5 -11.516 -20.194 4.119 20 HB3 SER 5 2HB SER 5 -10.463 -19.693 2.796 21 HG SER 5 HG SER 5 -9.103 -19.144 4.287 22 H SER 6 H SER 6 -10.325 -17.653 1.487 23 HA SER 6 HA SER 6 -8.910 -15.512 2.627 24 HB2 SER 6 1HB SER 6 -8.179 -16.899 0.654 25 HB3 SER 6 2HB SER 6 -9.325 -15.990 -0.331 26 HG SER 6 HG SER 6 -6.925 -15.164 0.840 27 H GLY 7 H GLY 7 -8.915 -13.256 1.967 28 HA2 GLY 7 1HA GLY 7 -9.992 -11.358 1.005 29 HA3 GLY 7 2HA GLY 7 -11.483 -12.285 0.922 30 H SER 8 H SER 8 -9.220 -11.608 3.588 31 HA SER 8 HA SER 8 -11.402 -10.247 5.006 32 HB2 SER 8 1HB SER 8 -10.750 -11.417 7.099 33 HB3 SER 8 2HB SER 8 -11.364 -12.523 5.871 34 HG SER 8 HG SER 8 -8.634 -12.094 5.831 35 H GLY 9 H GLY 9 -10.794 -8.335 5.773 36 HA2 GLY 9 1HA GLY 9 -9.448 -6.753 6.820 37 HA3 GLY 9 2HA GLY 9 -8.136 -7.922 6.839 38 H GLU 10 H GLU 10 -8.347 -8.454 3.962 39 HA GLU 10 HA GLU 10 -6.569 -6.420 3.063 40 HB2 GLU 10 1HB GLU 10 -7.858 -8.802 1.765 41 HB3 GLU 10 2HB GLU 10 -6.940 -7.648 0.808 42 HG2 GLU 10 1HG GLU 10 -4.997 -8.041 2.300 43 HG3 GLU 10 2HG GLU 10 -5.928 -9.301 3.107 44 H LYS 11 H LYS 11 -7.031 -4.528 2.172 45 HA LYS 11 HA LYS 11 -9.758 -4.081 1.164 46 HB2 LYS 11 1HB LYS 11 -7.704 -2.226 2.348 47 HB3 LYS 11 2HB LYS 11 -9.075 -1.617 1.431 48 HG2 LYS 11 1HG LYS 11 -9.498 -3.475 3.735 49 HG3 LYS 11 2HG LYS 11 -9.233 -1.750 4.002 50 HD2 LYS 11 1HD LYS 11 -11.176 -1.162 2.810 51 HD3 LYS 11 2HD LYS 11 -11.318 -2.767 2.089 52 HE2 LYS 11 1HE LYS 11 -11.829 -3.710 4.283 53 HE3 LYS 11 2HE LYS 11 -11.663 -2.115 5.015 54 HZ1 LYS 11 3HZ LYS 11 -13.993 -3.046 4.329 55 HZ2 LYS 11 1HZ LYS 11 -13.562 -2.444 2.807 56 HZ3 LYS 11 2HZ LYS 11 -13.629 -1.405 4.140 57 HA PRO 12 HA PRO 12 -8.337 -3.479 -2.946 58 HB2 PRO 12 1HB PRO 12 -10.054 -1.567 -3.824 59 HB3 PRO 12 2HB PRO 12 -10.542 -3.244 -3.548 60 HG2 PRO 12 1HG PRO 12 -10.904 -0.851 -1.785 61 HG3 PRO 12 2HG PRO 12 -12.053 -2.148 -2.161 62 HD2 PRO 12 1HD PRO 12 -10.636 -2.081 0.145 63 HD3 PRO 12 2HD PRO 12 -11.104 -3.600 -0.644 64 H TYR 13 H TYR 13 -8.625 -0.672 -0.860 65 HA TYR 13 HA TYR 13 -6.796 0.842 -2.579 66 HB2 TYR 13 1HB TYR 13 -8.162 1.888 -0.106 67 HB3 TYR 13 2HB TYR 13 -7.503 2.801 -1.459 68 HD1 TYR 13 HD1 TYR 13 -8.723 2.917 -3.591 69 HD2 TYR 13 HD2 TYR 13 -10.364 0.931 -0.206 70 HE1 TYR 13 HE1 TYR 13 -10.942 2.959 -4.650 71 HE2 TYR 13 HE2 TYR 13 -12.588 0.966 -1.255 72 HH TYR 13 HH TYR 13 -13.497 1.095 -3.638 73 H LYS 14 H LYS 14 -6.015 -1.443 -0.856 74 HA LYS 14 HA LYS 14 -4.509 -0.303 1.322 75 HB2 LYS 14 1HB LYS 14 -4.077 -2.461 1.976 76 HB3 LYS 14 2HB LYS 14 -5.549 -2.715 1.047 77 HG2 LYS 14 1HG LYS 14 -4.301 -3.489 -0.842 78 HG3 LYS 14 2HG LYS 14 -2.775 -3.056 -0.068 79 HD2 LYS 14 1HD LYS 14 -3.701 -4.676 1.815 80 HD3 LYS 14 2HD LYS 14 -4.592 -5.352 0.449 81 HE2 LYS 14 1HE LYS 14 -1.672 -4.840 0.152 82 HE3 LYS 14 2HE LYS 14 -2.197 -6.237 1.092 83 HZ1 LYS 14 3HZ LYS 14 -2.492 -7.317 -0.801 84 HZ2 LYS 14 1HZ LYS 14 -2.077 -5.948 -1.704 85 HZ3 LYS 14 2HZ LYS 14 -3.687 -6.210 -1.257 86 H CYS 15 H CYS 15 -2.269 -0.135 1.477 87 HA CYS 15 HA CYS 15 -0.928 0.482 -0.978 88 HB2 CYS 15 1HB CYS 15 -0.409 1.862 0.891 89 HB3 CYS 15 2HB CYS 15 -0.052 0.471 1.908 90 H SER 16 H SER 16 1.010 -0.474 -1.758 91 HA SER 16 HA SER 16 1.263 -3.319 -1.040 92 HB2 SER 16 1HB SER 16 2.005 -1.995 -3.659 93 HB3 SER 16 2HB SER 16 2.030 -3.724 -3.310 94 HG SER 16 HG SER 16 -0.213 -3.669 -3.096 95 H GLU 17 H GLU 17 2.979 -0.325 -1.591 96 HA GLU 17 HA GLU 17 5.601 -1.183 -1.714 97 HB2 GLU 17 1HB GLU 17 4.418 1.273 -0.421 98 HB3 GLU 17 2HB GLU 17 6.149 1.020 -0.589 99 HG2 GLU 17 1HG GLU 17 5.536 2.382 -2.391 100 HG3 GLU 17 2HG GLU 17 5.738 0.768 -3.070 101 H CYS 18 H CYS 18 3.595 -0.626 1.153 102 HA CYS 18 HA CYS 18 5.652 -1.995 2.760 103 HB2 CYS 18 1HB CYS 18 4.849 -0.739 4.698 104 HB3 CYS 18 2HB CYS 18 5.349 0.358 3.415 105 H GLY 19 H GLY 19 2.201 -1.615 2.140 106 HA2 GLY 19 1HA GLY 19 0.925 -3.729 2.079 107 HA3 GLY 19 2HA GLY 19 1.762 -4.171 3.560 108 H LYS 20 H LYS 20 0.826 -0.888 3.280 109 HA LYS 20 HA LYS 20 -0.834 -1.019 5.570 110 HB2 LYS 20 1HB LYS 20 0.514 0.976 4.459 111 HB3 LYS 20 2HB LYS 20 -1.031 1.277 3.674 112 HG2 LYS 20 1HG LYS 20 -1.298 2.578 5.510 113 HG3 LYS 20 2HG LYS 20 -1.917 1.057 6.159 114 HD2 LYS 20 1HD LYS 20 0.995 1.662 6.397 115 HD3 LYS 20 2HD LYS 20 -0.140 2.459 7.488 116 HE2 LYS 20 1HE LYS 20 -1.040 0.182 8.048 117 HE3 LYS 20 2HE LYS 20 0.301 -0.500 7.130 118 HZ1 LYS 20 3HZ LYS 20 1.723 -0.095 8.783 119 HZ2 LYS 20 1HZ LYS 20 0.359 0.106 9.763 120 HZ3 LYS 20 2HZ LYS 20 1.113 1.455 9.077 121 H ALA 21 H ALA 21 -3.100 -0.348 5.676 122 HA ALA 21 HA ALA 21 -4.641 -0.972 3.253 123 HB1 ALA 21 3HB ALA 21 -4.775 -3.011 4.395 124 HB2 ALA 21 1HB ALA 21 -4.948 -2.224 5.963 125 HB3 ALA 21 2HB ALA 21 -6.275 -2.178 4.802 126 H PHE 22 H PHE 22 -6.513 0.181 2.985 127 HA PHE 22 HA PHE 22 -7.367 1.966 5.145 128 HB2 PHE 22 1HB PHE 22 -6.885 2.904 2.309 129 HB3 PHE 22 2HB PHE 22 -7.465 3.885 3.651 130 HD1 PHE 22 HD2 PHE 22 -5.936 4.339 5.578 131 HD2 PHE 22 HD1 PHE 22 -4.590 2.546 1.960 132 HE1 PHE 22 HE2 PHE 22 -3.616 4.918 6.158 133 HE2 PHE 22 HE1 PHE 22 -2.268 3.122 2.534 134 HZ PHE 22 HZ PHE 22 -1.779 4.311 4.634 135 H HIS 23 H HIS 23 -9.402 3.261 4.201 136 HA HIS 23 HA HIS 23 -11.191 1.190 3.118 137 HB2 HIS 23 1HB HIS 23 -12.091 3.660 4.587 138 HB3 HIS 23 2HB HIS 23 -12.975 2.160 4.325 139 HD1 HIS 23 HD1 HIS 23 -11.240 0.041 5.429 140 HD2 HIS 23 HD2 HIS 23 -11.518 3.781 7.217 141 HE1 HIS 23 HE1 HIS 23 -10.527 -0.300 7.816 142 H ARG 24 H ARG 24 -10.474 4.663 2.975 143 HA ARG 24 HA ARG 24 -11.893 4.784 0.399 144 HB2 ARG 24 1HB ARG 24 -11.153 7.033 2.281 145 HB3 ARG 24 2HB ARG 24 -12.021 7.213 0.762 146 HG2 ARG 24 1HG ARG 24 -13.012 5.610 3.108 147 HG3 ARG 24 2HG ARG 24 -13.477 7.276 2.759 148 HD2 ARG 24 1HD ARG 24 -14.455 6.610 0.659 149 HD3 ARG 24 2HD ARG 24 -13.874 4.959 0.873 150 HE ARG 24 HE ARG 24 -15.642 4.550 2.274 151 HH11 ARG 24 1HH1 ARG 24 -15.328 7.983 1.783 152 HH12 ARG 24 2HH1 ARG 24 -16.823 8.364 2.571 153 HH21 ARG 24 1HH2 ARG 24 -17.612 5.040 3.314 154 HH22 ARG 24 2HH2 ARG 24 -18.121 6.690 3.442 155 H HIS 25 H HIS 25 -10.851 5.429 -1.420 156 HA HIS 25 HA HIS 25 -8.175 5.037 -1.788 157 HB2 HIS 25 1HB HIS 25 -10.016 5.442 -3.535 158 HB3 HIS 25 2HB HIS 25 -9.652 7.154 -3.341 159 HD1 HIS 25 HD1 HIS 25 -9.205 5.751 -6.039 160 HD2 HIS 25 HD2 HIS 25 -6.268 6.215 -3.138 161 HE1 HIS 25 HE1 HIS 25 -7.017 5.604 -7.268 162 H THR 26 H THR 26 -9.768 8.130 -1.079 163 HA THR 26 HA THR 26 -7.753 9.923 -1.263 164 HB THR 26 HB THR 26 -9.750 9.730 0.999 165 HG1 THR 26 HG1 THR 26 -10.671 11.495 -0.406 166 HG21 THR 26 3HG2 THR 26 -8.903 11.586 1.901 167 HG22 THR 26 1HG2 THR 26 -8.863 12.398 0.336 168 HG23 THR 26 2HG2 THR 26 -7.508 11.389 0.841 169 H HIS 27 H HIS 27 -8.413 8.094 1.733 170 HA HIS 27 HA HIS 27 -6.168 8.899 3.152 171 HB2 HIS 27 1HB HIS 27 -7.739 6.323 3.262 172 HB3 HIS 27 2HB HIS 27 -6.466 6.722 4.413 173 HD1 HIS 27 HD1 HIS 27 -8.417 6.583 6.226 174 HD2 HIS 27 HD2 HIS 27 -8.685 9.720 3.515 175 HE1 HIS 27 HE1 HIS 27 -10.056 8.203 7.232 176 H LEU 28 H LEU 28 -6.557 6.169 0.931 177 HA LEU 28 HA LEU 28 -4.058 4.980 1.312 178 HB2 LEU 28 1HB LEU 28 -5.598 3.716 0.116 179 HB3 LEU 28 2HB LEU 28 -5.995 5.049 -0.967 180 HG LEU 28 HG LEU 28 -3.738 4.781 -2.003 181 HD11 LEU 28 1HD1 LEU 28 -3.591 2.653 0.053 182 HD12 LEU 28 2HD1 LEU 28 -2.325 3.690 -0.601 183 HD13 LEU 28 3HD1 LEU 28 -2.898 2.306 -1.530 184 HD21 LEU 28 3HD2 LEU 28 -4.550 3.299 -3.511 185 HD22 LEU 28 1HD2 LEU 28 -6.035 3.547 -2.593 186 HD23 LEU 28 2HD2 LEU 28 -5.029 2.133 -2.276 187 H ASN 29 H ASN 29 -5.053 7.287 -1.221 188 HA ASN 29 HA ASN 29 -2.542 7.604 -2.398 189 HB2 ASN 29 1HB ASN 29 -4.705 8.386 -3.369 190 HB3 ASN 29 2HB ASN 29 -4.713 9.701 -2.197 191 HD21 ASN 29 1HD2 ASN 29 -4.511 11.395 -3.546 192 HD22 ASN 29 2HD2 ASN 29 -3.148 11.667 -4.573 193 H GLU 30 H GLU 30 -3.994 9.183 0.386 194 HA GLU 30 HA GLU 30 -2.096 11.245 0.689 195 HB2 GLU 30 1HB GLU 30 -3.975 9.886 2.609 196 HB3 GLU 30 2HB GLU 30 -2.884 11.161 3.133 197 HG2 GLU 30 1HG GLU 30 -3.903 12.608 1.341 198 HG3 GLU 30 2HG GLU 30 -5.124 11.352 1.143 199 H HIS 31 H HIS 31 -2.311 8.021 2.171 200 HA HIS 31 HA HIS 31 -0.030 8.193 3.774 201 HB2 HIS 31 1HB HIS 31 -1.344 6.357 4.279 202 HB3 HIS 31 2HB HIS 31 -1.589 5.934 2.587 203 HD1 HIS 31 HD1 HIS 31 1.050 5.730 5.288 204 HD2 HIS 31 HD2 HIS 31 0.123 4.034 1.610 205 HE1 HIS 31 HE1 HIS 31 2.681 3.839 4.990 206 H ARG 32 H ARG 32 -0.405 7.164 0.410 207 HA ARG 32 HA ARG 32 2.115 6.170 -0.101 208 HB2 ARG 32 1HB ARG 32 0.146 7.659 -1.811 209 HB3 ARG 32 2HB ARG 32 1.705 7.172 -2.463 210 HG2 ARG 32 1HG ARG 32 1.221 4.883 -2.188 211 HG3 ARG 32 2HG ARG 32 -0.173 5.226 -1.161 212 HD2 ARG 32 1HD ARG 32 -1.489 5.886 -2.944 213 HD3 ARG 32 2HD ARG 32 -0.099 6.265 -3.960 214 HE ARG 32 HE ARG 32 -1.453 3.782 -3.806 215 HH11 ARG 32 1HH1 ARG 32 1.720 5.169 -4.164 216 HH12 ARG 32 2HH1 ARG 32 2.356 3.814 -5.038 217 HH21 ARG 32 1HH2 ARG 32 -0.627 1.993 -4.956 218 HH22 ARG 32 2HH2 ARG 32 1.020 2.009 -5.488 219 H ARG 33 H ARG 33 1.246 9.353 0.730 220 HA ARG 33 HA ARG 33 3.090 10.936 -0.582 221 HB2 ARG 33 1HB ARG 33 1.870 11.097 2.158 222 HB3 ARG 33 2HB ARG 33 3.050 12.290 1.632 223 HG2 ARG 33 1HG ARG 33 1.599 12.788 -0.318 224 HG3 ARG 33 2HG ARG 33 0.393 11.689 0.355 225 HD2 ARG 33 1HD ARG 33 -0.309 13.777 1.100 226 HD3 ARG 33 2HD ARG 33 0.578 13.129 2.479 227 HE ARG 33 HE ARG 33 2.117 14.803 2.229 228 HH11 ARG 33 1HH1 ARG 33 0.208 14.569 -0.673 229 HH12 ARG 33 2HH1 ARG 33 0.873 16.004 -1.382 230 HH21 ARG 33 1HH2 ARG 33 2.999 16.694 1.306 231 HH22 ARG 33 2HH2 ARG 33 2.461 17.211 -0.255 232 H ILE 34 H ILE 34 3.543 8.853 2.219 233 HA ILE 34 HA ILE 34 6.221 9.729 2.739 234 HB ILE 34 HB ILE 34 6.346 7.933 4.339 235 HG12 ILE 34 1HG1 ILE 34 3.623 6.924 3.648 236 HG13 ILE 34 2HG1 ILE 34 4.979 6.402 2.654 237 HG21 ILE 34 1HG2 ILE 34 4.033 8.356 5.509 238 HG22 ILE 34 2HG2 ILE 34 5.218 9.651 5.351 239 HG23 ILE 34 3HG2 ILE 34 3.856 9.561 4.234 240 HD11 ILE 34 3HD1 ILE 34 4.419 5.856 5.531 241 HD12 ILE 34 1HD1 ILE 34 4.847 4.738 4.236 242 HD13 ILE 34 2HD1 ILE 34 6.074 5.802 4.924 243 H HIS 35 H HIS 35 4.755 7.443 0.622 244 HA HIS 35 HA HIS 35 7.192 5.924 0.214 245 HB2 HIS 35 1HB HIS 35 4.415 5.779 -0.938 246 HB3 HIS 35 2HB HIS 35 5.743 4.855 -1.635 247 HD1 HIS 35 HD1 HIS 35 7.118 3.958 0.991 248 HD2 HIS 35 HD2 HIS 35 3.027 3.776 0.289 249 HE1 HIS 35 HE1 HIS 35 6.247 2.189 2.552 250 H THR 36 H THR 36 5.513 8.598 -1.206 251 HA THR 36 HA THR 36 7.204 8.513 -3.597 252 HB THR 36 HB THR 36 4.697 8.926 -3.754 253 HG1 THR 36 HG1 THR 36 6.060 11.112 -4.876 254 HG21 THR 36 3HG2 THR 36 3.898 11.170 -3.327 255 HG22 THR 36 1HG2 THR 36 5.499 11.674 -2.790 256 HG23 THR 36 2HG2 THR 36 4.579 10.504 -1.844 257 H GLY 37 H GLY 37 6.712 10.275 -0.639 258 HA2 GLY 37 1HA GLY 37 8.778 12.213 -1.478 259 HA3 GLY 37 2HA GLY 37 7.526 12.558 -0.293 260 H TYR 38 H TYR 38 10.706 11.581 -0.749 261 HA TYR 38 HA TYR 38 11.067 11.229 2.101 262 HB2 TYR 38 1HB TYR 38 10.722 8.957 1.728 263 HB3 TYR 38 2HB TYR 38 11.454 9.004 0.128 264 HD1 TYR 38 HD1 TYR 38 12.410 9.565 3.701 265 HD2 TYR 38 HD2 TYR 38 13.551 8.075 -0.118 266 HE1 TYR 38 HE1 TYR 38 14.529 8.760 4.655 267 HE2 TYR 38 HE2 TYR 38 15.673 7.265 0.826 268 HH TYR 38 HH TYR 38 16.723 8.130 3.996 269 H ARG 39 H ARG 39 12.990 12.000 2.763 270 HA ARG 39 HA ARG 39 15.126 12.363 0.784 271 HB2 ARG 39 1HB ARG 39 15.513 14.638 1.454 272 HB3 ARG 39 2HB ARG 39 13.821 14.478 1.001 273 HG2 ARG 39 1HG ARG 39 14.693 14.257 3.858 274 HG3 ARG 39 2HG ARG 39 14.393 15.823 3.100 275 HD2 ARG 39 1HD ARG 39 12.137 14.748 2.386 276 HD3 ARG 39 2HD ARG 39 12.480 13.596 3.677 277 HE ARG 39 HE ARG 39 11.952 15.214 5.201 278 HH11 ARG 39 1HH1 ARG 39 12.563 16.722 2.123 279 HH12 ARG 39 2HH1 ARG 39 12.062 18.295 2.647 280 HH21 ARG 39 1HH2 ARG 39 11.289 17.281 5.903 281 HH22 ARG 39 2HH2 ARG 39 11.338 18.612 4.797 282 HA PRO 40 HA PRO 40 17.688 10.763 3.985 283 HB2 PRO 40 1HB PRO 40 20.088 11.703 3.131 284 HB3 PRO 40 2HB PRO 40 19.242 10.369 2.339 285 HG2 PRO 40 1HG PRO 40 19.356 13.261 1.573 286 HG3 PRO 40 2HG PRO 40 19.479 11.824 0.540 287 HD2 PRO 40 1HD PRO 40 17.195 13.260 0.773 288 HD3 PRO 40 2HD PRO 40 17.196 11.507 0.496 289 H SER 41 H SER 41 18.191 11.419 5.985 290 HA SER 41 HA SER 41 18.300 14.286 6.522 291 HB2 SER 41 1HB SER 41 16.867 12.500 7.808 292 HB3 SER 41 2HB SER 41 18.374 12.199 8.673 293 HG SER 41 HG SER 41 16.681 14.381 8.761 294 H GLY 42 H GLY 42 20.420 14.651 5.693 295 HA2 GLY 42 1HA GLY 42 22.494 13.971 7.650 296 HA3 GLY 42 2HA GLY 42 22.782 13.557 5.966 297 HA PRO 43 HA PRO 43 24.316 17.565 5.096 298 HB2 PRO 43 1HB PRO 43 23.184 18.192 2.709 299 HB3 PRO 43 2HB PRO 43 24.448 16.967 2.881 300 HG2 PRO 43 1HG PRO 43 21.483 16.613 2.665 301 HG3 PRO 43 2HG PRO 43 22.780 15.692 1.882 302 HD2 PRO 43 1HD PRO 43 21.475 14.792 4.077 303 HD3 PRO 43 2HD PRO 43 23.181 14.418 3.760 304 H SER 44 H SER 44 20.812 17.251 4.795 305 HA SER 44 HA SER 44 20.416 19.706 6.244 306 HB2 SER 44 1HB SER 44 19.107 20.848 4.530 307 HB3 SER 44 2HB SER 44 20.737 20.540 3.932 308 HG SER 44 HG SER 44 19.526 18.463 3.159 309 H SER 45 H SER 45 18.784 19.342 7.581 310 HA SER 45 HA SER 45 16.640 17.511 6.721 311 HB2 SER 45 1HB SER 45 16.428 16.849 9.120 312 HB3 SER 45 2HB SER 45 17.979 16.403 8.410 313 HG SER 45 HG SER 45 18.828 18.344 9.373 314 H GLY 46 H GLY 46 17.322 19.966 9.227 315 HA2 GLY 46 1HA GLY 46 14.695 20.679 9.771 316 HA3 GLY 46 2HA GLY 46 16.077 21.746 9.968 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.985 -29.595 15.863 2 HA2 GLY 1 1HA GLY 1 -7.376 -29.114 17.135 3 HA3 GLY 1 2HA GLY 1 -7.572 -28.777 15.422 4 H SER 2 H SER 2 -7.102 -26.581 15.717 5 HA SER 2 HA SER 2 -9.330 -25.048 16.868 6 HB2 SER 2 1HB SER 2 -7.056 -25.165 18.227 7 HB3 SER 2 2HB SER 2 -6.565 -23.932 17.065 8 HG SER 2 HG SER 2 -8.701 -22.937 17.723 9 H SER 3 H SER 3 -9.519 -22.858 16.009 10 HA SER 3 HA SER 3 -8.144 -22.363 13.482 11 HB2 SER 3 1HB SER 3 -10.311 -23.650 13.062 12 HB3 SER 3 2HB SER 3 -11.155 -22.206 13.620 13 HG SER 3 HG SER 3 -9.221 -22.119 11.559 14 H GLY 4 H GLY 4 -8.817 -20.158 12.586 15 HA2 GLY 4 1HA GLY 4 -9.341 -18.303 14.826 16 HA3 GLY 4 2HA GLY 4 -8.062 -18.006 13.658 17 H SER 5 H SER 5 -10.058 -16.144 14.156 18 HA SER 5 HA SER 5 -11.643 -16.265 11.673 19 HB2 SER 5 1HB SER 5 -13.294 -14.806 12.804 20 HB3 SER 5 2HB SER 5 -13.090 -16.346 13.639 21 HG SER 5 HG SER 5 -13.089 -14.430 15.007 22 H SER 6 H SER 6 -10.969 -14.891 10.181 23 HA SER 6 HA SER 6 -9.131 -12.782 10.772 24 HB2 SER 6 1HB SER 6 -10.590 -13.497 8.218 25 HB3 SER 6 2HB SER 6 -9.326 -12.273 8.336 26 HG SER 6 HG SER 6 -8.747 -14.805 9.339 27 H GLY 7 H GLY 7 -12.434 -12.789 9.415 28 HA2 GLY 7 1HA GLY 7 -13.944 -11.166 10.656 29 HA3 GLY 7 2HA GLY 7 -12.690 -9.987 10.305 30 H SER 8 H SER 8 -14.653 -8.913 9.349 31 HA SER 8 HA SER 8 -14.945 -9.758 6.542 32 HB2 SER 8 1HB SER 8 -17.064 -8.601 8.366 33 HB3 SER 8 2HB SER 8 -17.258 -8.798 6.624 34 HG SER 8 HG SER 8 -16.525 -11.115 7.301 35 H GLY 9 H GLY 9 -15.614 -7.944 5.087 36 HA2 GLY 9 1HA GLY 9 -15.615 -5.284 5.529 37 HA3 GLY 9 2HA GLY 9 -13.902 -5.668 5.604 38 H GLU 10 H GLU 10 -13.903 -4.113 3.761 39 HA GLU 10 HA GLU 10 -14.620 -5.449 1.236 40 HB2 GLU 10 1HB GLU 10 -15.705 -3.236 1.712 41 HB3 GLU 10 2HB GLU 10 -14.107 -2.503 1.667 42 HG2 GLU 10 1HG GLU 10 -14.907 -2.103 -0.455 43 HG3 GLU 10 2HG GLU 10 -13.939 -3.559 -0.679 44 H LYS 11 H LYS 11 -12.182 -3.212 2.570 45 HA LYS 11 HA LYS 11 -9.979 -2.901 2.080 46 HB2 LYS 11 1HB LYS 11 -9.954 -5.167 3.147 47 HB3 LYS 11 2HB LYS 11 -10.016 -5.874 1.537 48 HG2 LYS 11 1HG LYS 11 -7.871 -5.100 0.994 49 HG3 LYS 11 2HG LYS 11 -7.846 -3.969 2.348 50 HD2 LYS 11 1HD LYS 11 -6.533 -5.647 3.193 51 HD3 LYS 11 2HD LYS 11 -8.118 -6.176 3.761 52 HE2 LYS 11 1HE LYS 11 -6.756 -7.131 1.244 53 HE3 LYS 11 2HE LYS 11 -6.808 -8.012 2.771 54 HZ1 LYS 11 3HZ LYS 11 -8.866 -7.673 0.761 55 HZ2 LYS 11 1HZ LYS 11 -9.400 -7.533 2.360 56 HZ3 LYS 11 2HZ LYS 11 -8.614 -8.941 1.852 57 HA PRO 12 HA PRO 12 -10.920 -3.219 -2.539 58 HB2 PRO 12 1HB PRO 12 -11.335 -0.569 -2.962 59 HB3 PRO 12 2HB PRO 12 -12.632 -1.687 -2.520 60 HG2 PRO 12 1HG PRO 12 -11.092 0.208 -0.788 61 HG3 PRO 12 2HG PRO 12 -12.833 -0.133 -0.802 62 HD2 PRO 12 1HD PRO 12 -11.151 -1.211 1.027 63 HD3 PRO 12 2HD PRO 12 -12.591 -2.064 0.434 64 H TYR 13 H TYR 13 -9.234 -0.617 -0.782 65 HA TYR 13 HA TYR 13 -7.098 -0.727 -2.802 66 HB2 TYR 13 1HB TYR 13 -7.437 1.472 -0.776 67 HB3 TYR 13 2HB TYR 13 -6.570 1.515 -2.307 68 HD1 TYR 13 HD1 TYR 13 -7.770 1.797 -4.411 69 HD2 TYR 13 HD2 TYR 13 -9.839 1.767 -0.694 70 HE1 TYR 13 HE1 TYR 13 -9.754 2.744 -5.515 71 HE2 TYR 13 HE2 TYR 13 -11.829 2.713 -1.787 72 HH TYR 13 HH TYR 13 -12.627 2.607 -4.567 73 H LYS 14 H LYS 14 -5.021 -1.149 -2.227 74 HA LYS 14 HA LYS 14 -4.287 -1.302 0.584 75 HB2 LYS 14 1HB LYS 14 -5.251 -3.546 -0.150 76 HB3 LYS 14 2HB LYS 14 -3.845 -3.695 -1.196 77 HG2 LYS 14 1HG LYS 14 -2.552 -3.198 1.046 78 HG3 LYS 14 2HG LYS 14 -4.035 -3.832 1.763 79 HD2 LYS 14 1HD LYS 14 -3.804 -5.894 0.548 80 HD3 LYS 14 2HD LYS 14 -2.431 -5.256 -0.359 81 HE2 LYS 14 1HE LYS 14 -2.487 -5.646 2.632 82 HE3 LYS 14 2HE LYS 14 -1.783 -6.786 1.486 83 HZ1 LYS 14 3HZ LYS 14 -0.445 -4.721 0.727 84 HZ2 LYS 14 1HZ LYS 14 0.030 -5.553 2.122 85 HZ3 LYS 14 2HZ LYS 14 -0.840 -4.108 2.254 86 H CYS 15 H CYS 15 -2.282 -0.572 0.876 87 HA CYS 15 HA CYS 15 -0.703 0.275 -1.333 88 HB2 CYS 15 1HB CYS 15 -0.687 1.504 0.775 89 HB3 CYS 15 2HB CYS 15 -0.031 0.102 1.612 90 H SER 16 H SER 16 1.461 -0.385 -1.840 91 HA SER 16 HA SER 16 1.941 -3.234 -1.261 92 HB2 SER 16 1HB SER 16 2.485 -1.592 -3.731 93 HB3 SER 16 2HB SER 16 3.275 -3.143 -3.451 94 HG SER 16 HG SER 16 0.859 -3.739 -3.029 95 H GLU 17 H GLU 17 3.363 -0.041 -1.489 96 HA GLU 17 HA GLU 17 6.055 -0.590 -1.297 97 HB2 GLU 17 1HB GLU 17 4.430 1.636 -0.072 98 HB3 GLU 17 2HB GLU 17 6.185 1.588 0.009 99 HG2 GLU 17 1HG GLU 17 4.516 1.694 -2.492 100 HG3 GLU 17 2HG GLU 17 5.459 3.012 -1.800 101 H CYS 18 H CYS 18 3.796 -0.118 1.421 102 HA CYS 18 HA CYS 18 5.748 -1.446 3.176 103 HB2 CYS 18 1HB CYS 18 4.498 -0.403 5.042 104 HB3 CYS 18 2HB CYS 18 5.146 0.788 3.919 105 H GLY 19 H GLY 19 2.306 -1.356 2.326 106 HA2 GLY 19 1HA GLY 19 1.201 -3.518 1.995 107 HA3 GLY 19 2HA GLY 19 2.085 -4.101 3.397 108 H LYS 20 H LYS 20 0.433 -0.998 3.089 109 HA LYS 20 HA LYS 20 -1.158 -1.677 5.443 110 HB2 LYS 20 1HB LYS 20 -0.318 0.862 4.121 111 HB3 LYS 20 2HB LYS 20 -1.801 0.870 5.067 112 HG2 LYS 20 1HG LYS 20 -0.381 -0.176 6.930 113 HG3 LYS 20 2HG LYS 20 1.005 0.357 5.976 114 HD2 LYS 20 1HD LYS 20 0.061 2.661 6.011 115 HD3 LYS 20 2HD LYS 20 -1.199 2.082 7.103 116 HE2 LYS 20 1HE LYS 20 0.383 2.976 8.549 117 HE3 LYS 20 2HE LYS 20 0.759 1.254 8.562 118 HZ1 LYS 20 3HZ LYS 20 2.754 1.622 7.676 119 HZ2 LYS 20 1HZ LYS 20 2.524 3.252 8.068 120 HZ3 LYS 20 2HZ LYS 20 2.157 2.696 6.513 121 H ALA 21 H ALA 21 -3.404 -0.371 5.325 122 HA ALA 21 HA ALA 21 -4.700 -0.742 2.744 123 HB1 ALA 21 3HB ALA 21 -5.086 -2.529 5.049 124 HB2 ALA 21 1HB ALA 21 -6.563 -1.961 4.271 125 HB3 ALA 21 2HB ALA 21 -5.344 -2.819 3.329 126 H PHE 22 H PHE 22 -6.528 0.501 2.468 127 HA PHE 22 HA PHE 22 -7.478 2.063 4.759 128 HB2 PHE 22 1HB PHE 22 -6.707 3.256 2.088 129 HB3 PHE 22 2HB PHE 22 -7.443 4.129 3.428 130 HD1 PHE 22 HD2 PHE 22 -6.163 4.431 5.543 131 HD2 PHE 22 HD1 PHE 22 -4.387 2.851 2.012 132 HE1 PHE 22 HE2 PHE 22 -3.929 4.920 6.451 133 HE2 PHE 22 HE1 PHE 22 -2.151 3.337 2.915 134 HZ PHE 22 HZ PHE 22 -1.919 4.373 5.137 135 H HIS 23 H HIS 23 -9.621 2.047 4.882 136 HA HIS 23 HA HIS 23 -11.270 0.676 3.111 137 HB2 HIS 23 1HB HIS 23 -13.083 2.234 4.292 138 HB3 HIS 23 2HB HIS 23 -12.298 0.907 5.143 139 HD1 HIS 23 HD1 HIS 23 -12.205 1.819 7.470 140 HD2 HIS 23 HD2 HIS 23 -10.739 4.500 4.655 141 HE1 HIS 23 HE1 HIS 23 -11.219 3.715 8.796 142 H ARG 24 H ARG 24 -10.070 3.902 2.973 143 HA ARG 24 HA ARG 24 -11.745 4.401 0.603 144 HB2 ARG 24 1HB ARG 24 -11.013 6.266 2.845 145 HB3 ARG 24 2HB ARG 24 -11.434 6.883 1.253 146 HG2 ARG 24 1HG ARG 24 -13.479 6.961 2.229 147 HG3 ARG 24 2HG ARG 24 -13.534 5.313 1.600 148 HD2 ARG 24 1HD ARG 24 -14.262 5.099 3.807 149 HD3 ARG 24 2HD ARG 24 -12.566 4.622 3.870 150 HE ARG 24 HE ARG 24 -12.102 6.505 5.120 151 HH11 ARG 24 1HH1 ARG 24 -15.356 6.651 3.892 152 HH12 ARG 24 2HH1 ARG 24 -15.811 7.994 4.888 153 HH21 ARG 24 1HH2 ARG 24 -12.688 8.273 6.437 154 HH22 ARG 24 2HH2 ARG 24 -14.292 8.916 6.334 155 H HIS 25 H HIS 25 -10.746 5.289 -1.168 156 HA HIS 25 HA HIS 25 -8.022 4.806 -1.549 157 HB2 HIS 25 1HB HIS 25 -9.738 4.999 -3.358 158 HB3 HIS 25 2HB HIS 25 -9.733 6.744 -3.118 159 HD1 HIS 25 HD1 HIS 25 -8.617 4.673 -5.546 160 HD2 HIS 25 HD2 HIS 25 -6.571 7.365 -3.131 161 HE1 HIS 25 HE1 HIS 25 -6.502 5.222 -6.791 162 H THR 26 H THR 26 -9.675 7.950 -1.223 163 HA THR 26 HA THR 26 -7.721 9.752 -1.360 164 HB THR 26 HB THR 26 -9.699 9.656 0.927 165 HG1 THR 26 HG1 THR 26 -10.172 11.339 -1.197 166 HG21 THR 26 3HG2 THR 26 -8.129 11.304 1.508 167 HG22 THR 26 1HG2 THR 26 -9.428 12.197 0.719 168 HG23 THR 26 2HG2 THR 26 -7.943 11.840 -0.162 169 H HIS 27 H HIS 27 -8.356 7.949 1.654 170 HA HIS 27 HA HIS 27 -6.249 8.912 3.161 171 HB2 HIS 27 1HB HIS 27 -7.666 6.258 3.154 172 HB3 HIS 27 2HB HIS 27 -6.360 6.591 4.287 173 HD1 HIS 27 HD1 HIS 27 -9.174 6.051 5.341 174 HD2 HIS 27 HD2 HIS 27 -7.714 9.849 4.505 175 HE1 HIS 27 HE1 HIS 27 -10.563 7.625 6.726 176 H LEU 28 H LEU 28 -6.282 6.105 0.983 177 HA LEU 28 HA LEU 28 -3.666 5.244 1.417 178 HB2 LEU 28 1HB LEU 28 -5.046 3.783 0.238 179 HB3 LEU 28 2HB LEU 28 -5.547 5.029 -0.903 180 HG LEU 28 HG LEU 28 -3.027 4.939 -1.630 181 HD11 LEU 28 1HD1 LEU 28 -3.403 2.479 -0.008 182 HD12 LEU 28 2HD1 LEU 28 -1.968 3.479 -0.236 183 HD13 LEU 28 3HD1 LEU 28 -2.473 2.360 -1.502 184 HD21 LEU 28 3HD2 LEU 28 -4.930 4.410 -3.060 185 HD22 LEU 28 1HD2 LEU 28 -5.023 2.796 -2.355 186 HD23 LEU 28 2HD2 LEU 28 -3.614 3.261 -3.309 187 H ASN 29 H ASN 29 -4.837 7.197 -1.334 188 HA ASN 29 HA ASN 29 -2.518 7.813 -2.579 189 HB2 ASN 29 1HB ASN 29 -4.790 8.617 -3.242 190 HB3 ASN 29 2HB ASN 29 -4.672 9.855 -1.995 191 HD21 ASN 29 1HD2 ASN 29 -4.214 11.751 -2.818 192 HD22 ASN 29 2HD2 ASN 29 -3.147 12.063 -4.141 193 H GLU 30 H GLU 30 -3.835 9.608 0.202 194 HA GLU 30 HA GLU 30 -1.776 11.465 0.463 195 HB2 GLU 30 1HB GLU 30 -4.078 11.214 1.707 196 HB3 GLU 30 2HB GLU 30 -3.114 10.348 2.895 197 HG2 GLU 30 1HG GLU 30 -1.587 12.414 2.853 198 HG3 GLU 30 2HG GLU 30 -2.947 13.218 2.070 199 H HIS 31 H HIS 31 -2.191 8.415 2.268 200 HA HIS 31 HA HIS 31 0.142 8.429 3.717 201 HB2 HIS 31 1HB HIS 31 -1.232 6.665 4.280 202 HB3 HIS 31 2HB HIS 31 -1.571 6.254 2.602 203 HD1 HIS 31 HD1 HIS 31 1.067 5.814 5.256 204 HD2 HIS 31 HD2 HIS 31 0.073 4.331 1.504 205 HE1 HIS 31 HE1 HIS 31 2.589 3.846 4.885 206 H ARG 32 H ARG 32 -0.322 7.078 0.455 207 HA ARG 32 HA ARG 32 2.131 6.048 -0.082 208 HB2 ARG 32 1HB ARG 32 0.431 7.729 -1.932 209 HB3 ARG 32 2HB ARG 32 1.772 6.717 -2.454 210 HG2 ARG 32 1HG ARG 32 0.494 4.797 -1.324 211 HG3 ARG 32 2HG ARG 32 -0.888 5.895 -1.357 212 HD2 ARG 32 1HD ARG 32 -0.775 6.063 -3.744 213 HD3 ARG 32 2HD ARG 32 0.743 5.168 -3.783 214 HE ARG 32 HE ARG 32 -1.504 3.747 -2.642 215 HH11 ARG 32 1HH1 ARG 32 0.369 4.433 -5.495 216 HH12 ARG 32 2HH1 ARG 32 -0.133 2.999 -6.328 217 HH21 ARG 32 1HH2 ARG 32 -2.171 1.855 -3.728 218 HH22 ARG 32 2HH2 ARG 32 -1.578 1.534 -5.322 219 H ARG 33 H ARG 33 1.310 9.415 0.261 220 HA ARG 33 HA ARG 33 3.412 10.676 -1.003 221 HB2 ARG 33 1HB ARG 33 2.075 11.407 1.608 222 HB3 ARG 33 2HB ARG 33 3.131 12.479 0.697 223 HG2 ARG 33 1HG ARG 33 1.596 12.568 -1.124 224 HG3 ARG 33 2HG ARG 33 0.600 11.296 -0.414 225 HD2 ARG 33 1HD ARG 33 -0.377 13.524 -0.086 226 HD3 ARG 33 2HD ARG 33 0.025 12.744 1.443 227 HE ARG 33 HE ARG 33 1.610 14.367 1.830 228 HH11 ARG 33 1HH1 ARG 33 0.473 14.583 -1.453 229 HH12 ARG 33 2HH1 ARG 33 1.244 16.105 -1.758 230 HH21 ARG 33 1HH2 ARG 33 2.630 16.370 1.442 231 HH22 ARG 33 2HH2 ARG 33 2.471 17.120 -0.111 232 H ILE 34 H ILE 34 3.340 9.204 2.212 233 HA ILE 34 HA ILE 34 5.859 10.033 3.097 234 HB ILE 34 HB ILE 34 5.752 8.304 4.733 235 HG12 ILE 34 1HG1 ILE 34 3.690 6.642 4.391 236 HG13 ILE 34 2HG1 ILE 34 4.046 6.958 2.696 237 HG21 ILE 34 1HG2 ILE 34 4.217 9.745 5.535 238 HG22 ILE 34 2HG2 ILE 34 3.294 9.762 4.034 239 HG23 ILE 34 3HG2 ILE 34 3.094 8.434 5.176 240 HD11 ILE 34 3HD1 ILE 34 6.281 6.203 4.501 241 HD12 ILE 34 1HD1 ILE 34 5.152 4.957 3.971 242 HD13 ILE 34 2HD1 ILE 34 6.059 5.889 2.780 243 H HIS 35 H HIS 35 4.933 7.570 0.836 244 HA HIS 35 HA HIS 35 7.467 6.200 0.897 245 HB2 HIS 35 1HB HIS 35 5.043 6.006 -0.885 246 HB3 HIS 35 2HB HIS 35 6.511 5.084 -1.197 247 HD1 HIS 35 HD1 HIS 35 7.271 3.947 1.422 248 HD2 HIS 35 HD2 HIS 35 3.295 4.317 0.275 249 HE1 HIS 35 HE1 HIS 35 6.011 2.276 2.816 250 H THR 36 H THR 36 5.944 8.709 -1.013 251 HA THR 36 HA THR 36 8.207 8.777 -2.862 252 HB THR 36 HB THR 36 5.779 8.967 -3.641 253 HG1 THR 36 HG1 THR 36 7.300 11.194 -4.477 254 HG21 THR 36 3HG2 THR 36 4.652 11.029 -3.444 255 HG22 THR 36 1HG2 THR 36 6.086 11.848 -2.828 256 HG23 THR 36 2HG2 THR 36 5.241 10.673 -1.821 257 H GLY 37 H GLY 37 9.449 10.661 -3.209 258 HA2 GLY 37 1HA GLY 37 9.600 13.104 -2.504 259 HA3 GLY 37 2HA GLY 37 9.498 12.461 -0.871 260 H TYR 38 H TYR 38 11.546 13.225 -3.475 261 HA TYR 38 HA TYR 38 13.739 11.540 -2.920 262 HB2 TYR 38 1HB TYR 38 15.000 12.942 -4.365 263 HB3 TYR 38 2HB TYR 38 13.362 12.932 -5.009 264 HD1 TYR 38 HD1 TYR 38 15.789 14.933 -3.057 265 HD2 TYR 38 HD2 TYR 38 12.117 14.937 -5.205 266 HE1 TYR 38 HE1 TYR 38 15.753 17.391 -2.978 267 HE2 TYR 38 HE2 TYR 38 12.070 17.395 -5.133 268 HH TYR 38 HH TYR 38 14.591 19.266 -4.557 269 H ARG 39 H ARG 39 15.644 11.913 -1.771 270 HA ARG 39 HA ARG 39 15.325 13.729 0.495 271 HB2 ARG 39 1HB ARG 39 17.275 12.478 1.433 272 HB3 ARG 39 2HB ARG 39 15.873 11.471 1.096 273 HG2 ARG 39 1HG ARG 39 16.884 10.525 -0.810 274 HG3 ARG 39 2HG ARG 39 18.160 11.744 -0.830 275 HD2 ARG 39 1HD ARG 39 18.803 10.830 1.476 276 HD3 ARG 39 2HD ARG 39 17.779 9.453 1.071 277 HE ARG 39 HE ARG 39 19.786 10.115 -0.903 278 HH11 ARG 39 1HH1 ARG 39 18.981 8.231 1.912 279 HH12 ARG 39 2HH1 ARG 39 20.191 7.028 1.613 280 HH21 ARG 39 1HH2 ARG 39 21.382 8.537 -1.307 281 HH22 ARG 39 2HH2 ARG 39 21.557 7.203 -0.217 282 HA PRO 40 HA PRO 40 18.197 16.684 -1.047 283 HB2 PRO 40 1HB PRO 40 19.019 17.768 1.302 284 HB3 PRO 40 2HB PRO 40 17.424 18.078 0.606 285 HG2 PRO 40 1HG PRO 40 18.207 16.163 2.769 286 HG3 PRO 40 2HG PRO 40 16.804 17.244 2.687 287 HD2 PRO 40 1HD PRO 40 16.642 14.601 2.121 288 HD3 PRO 40 2HD PRO 40 15.624 15.813 1.317 289 H SER 41 H SER 41 20.229 16.485 -1.741 290 HA SER 41 HA SER 41 21.950 14.441 -0.977 291 HB2 SER 41 1HB SER 41 22.760 17.072 -2.236 292 HB3 SER 41 2HB SER 41 23.641 15.546 -2.321 293 HG SER 41 HG SER 41 22.516 15.253 -4.071 294 H GLY 42 H GLY 42 21.942 17.857 -0.005 295 HA2 GLY 42 1HA GLY 42 24.201 18.169 1.414 296 HA3 GLY 42 2HA GLY 42 22.659 18.771 2.003 297 HA PRO 43 HA PRO 43 24.533 15.272 4.686 298 HB2 PRO 43 1HB PRO 43 25.761 16.765 6.592 299 HB3 PRO 43 2HB PRO 43 26.588 16.195 5.137 300 HG2 PRO 43 1HG PRO 43 25.402 18.883 5.711 301 HG3 PRO 43 2HG PRO 43 26.946 18.484 4.936 302 HD2 PRO 43 1HD PRO 43 24.748 19.197 3.524 303 HD3 PRO 43 2HD PRO 43 25.957 18.056 2.899 304 H SER 44 H SER 44 22.496 14.773 5.408 305 HA SER 44 HA SER 44 21.417 16.476 7.558 306 HB2 SER 44 1HB SER 44 19.888 16.625 5.731 307 HB3 SER 44 2HB SER 44 19.956 14.886 5.444 308 HG SER 44 HG SER 44 18.988 16.029 7.850 309 H SER 45 H SER 45 20.263 15.370 9.256 310 HA SER 45 HA SER 45 21.462 12.770 9.835 311 HB2 SER 45 1HB SER 45 20.531 13.190 12.146 312 HB3 SER 45 2HB SER 45 21.721 14.371 11.600 313 HG SER 45 HG SER 45 20.047 15.794 11.138 314 H GLY 46 H GLY 46 20.245 11.327 8.646 315 HA2 GLY 46 1HA GLY 46 17.886 10.345 9.809 316 HA3 GLY 46 2HA GLY 46 17.442 11.339 8.429 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.840 -22.681 15.400 2 HA2 GLY 1 1HA GLY 1 -7.138 -19.965 15.479 3 HA3 GLY 1 2HA GLY 1 -7.016 -20.512 13.814 4 H SER 2 H SER 2 -8.738 -19.806 12.746 5 HA SER 2 HA SER 2 -11.351 -20.710 13.421 6 HB2 SER 2 1HB SER 2 -12.429 -18.627 13.921 7 HB3 SER 2 2HB SER 2 -11.048 -18.770 15.009 8 HG SER 2 HG SER 2 -10.302 -17.001 14.180 9 H SER 3 H SER 3 -13.012 -19.776 11.887 10 HA SER 3 HA SER 3 -11.975 -18.586 9.463 11 HB2 SER 3 1HB SER 3 -12.742 -21.471 9.641 12 HB3 SER 3 2HB SER 3 -13.126 -20.582 8.167 13 HG SER 3 HG SER 3 -10.675 -19.939 8.685 14 H GLY 4 H GLY 4 -13.759 -18.294 7.822 15 HA2 GLY 4 1HA GLY 4 -16.472 -18.598 8.492 16 HA3 GLY 4 2HA GLY 4 -15.948 -17.005 9.016 17 H SER 5 H SER 5 -17.934 -17.329 7.116 18 HA SER 5 HA SER 5 -16.580 -16.392 4.671 19 HB2 SER 5 1HB SER 5 -17.669 -18.589 4.341 20 HB3 SER 5 2HB SER 5 -19.209 -17.887 4.837 21 HG SER 5 HG SER 5 -19.047 -16.473 3.044 22 H SER 6 H SER 6 -16.714 -14.220 5.001 23 HA SER 6 HA SER 6 -19.387 -13.060 4.861 24 HB2 SER 6 1HB SER 6 -18.873 -13.082 7.261 25 HB3 SER 6 2HB SER 6 -17.352 -12.244 6.952 26 HG SER 6 HG SER 6 -19.708 -11.081 6.005 27 H GLY 7 H GLY 7 -19.427 -11.607 3.284 28 HA2 GLY 7 1HA GLY 7 -16.948 -10.669 2.117 29 HA3 GLY 7 2HA GLY 7 -18.570 -10.372 1.508 30 H SER 8 H SER 8 -17.211 -9.674 4.709 31 HA SER 8 HA SER 8 -18.146 -6.926 4.454 32 HB2 SER 8 1HB SER 8 -16.948 -8.357 6.838 33 HB3 SER 8 2HB SER 8 -17.691 -6.758 6.857 34 HG SER 8 HG SER 8 -19.358 -7.983 7.403 35 H GLY 9 H GLY 9 -15.148 -8.537 5.541 36 HA2 GLY 9 1HA GLY 9 -13.528 -6.280 5.620 37 HA3 GLY 9 2HA GLY 9 -12.948 -7.915 5.344 38 H GLU 10 H GLU 10 -13.849 -4.899 3.876 39 HA GLU 10 HA GLU 10 -12.775 -5.881 1.313 40 HB2 GLU 10 1HB GLU 10 -15.165 -4.215 1.917 41 HB3 GLU 10 2HB GLU 10 -14.243 -3.814 0.475 42 HG2 GLU 10 1HG GLU 10 -15.467 -6.490 1.107 43 HG3 GLU 10 2HG GLU 10 -16.084 -5.307 -0.045 44 H LYS 11 H LYS 11 -10.765 -5.112 1.176 45 HA LYS 11 HA LYS 11 -10.370 -2.227 1.551 46 HB2 LYS 11 1HB LYS 11 -8.895 -4.466 2.850 47 HB3 LYS 11 2HB LYS 11 -7.969 -3.056 2.350 48 HG2 LYS 11 1HG LYS 11 -8.988 -1.674 3.868 49 HG3 LYS 11 2HG LYS 11 -10.451 -2.659 3.946 50 HD2 LYS 11 1HD LYS 11 -9.009 -4.437 5.054 51 HD3 LYS 11 2HD LYS 11 -7.777 -3.184 5.222 52 HE2 LYS 11 1HE LYS 11 -10.594 -2.860 6.231 53 HE3 LYS 11 2HE LYS 11 -9.298 -3.540 7.214 54 HZ1 LYS 11 3HZ LYS 11 -9.770 -0.794 6.420 55 HZ2 LYS 11 1HZ LYS 11 -8.156 -1.296 6.334 56 HZ3 LYS 11 2HZ LYS 11 -8.999 -1.408 7.795 57 HA PRO 12 HA PRO 12 -8.780 -3.788 -2.542 58 HB2 PRO 12 1HB PRO 12 -10.022 -1.886 -4.029 59 HB3 PRO 12 2HB PRO 12 -10.793 -3.412 -3.583 60 HG2 PRO 12 1HG PRO 12 -11.084 -0.707 -2.334 61 HG3 PRO 12 2HG PRO 12 -12.335 -1.908 -2.707 62 HD2 PRO 12 1HD PRO 12 -11.329 -1.578 -0.215 63 HD3 PRO 12 2HD PRO 12 -11.879 -3.153 -0.821 64 H TYR 13 H TYR 13 -8.676 -0.910 -0.702 65 HA TYR 13 HA TYR 13 -6.787 0.414 -2.481 66 HB2 TYR 13 1HB TYR 13 -7.562 1.394 0.253 67 HB3 TYR 13 2HB TYR 13 -7.039 2.328 -1.144 68 HD1 TYR 13 HD2 TYR 13 -9.851 0.297 0.179 69 HD2 TYR 13 HD1 TYR 13 -8.609 3.231 -2.641 70 HE1 TYR 13 HE2 TYR 13 -12.201 0.710 -0.418 71 HE2 TYR 13 HE1 TYR 13 -10.956 3.653 -3.245 72 HH TYR 13 HH TYR 13 -13.603 2.158 -1.482 73 H LYS 14 H LYS 14 -5.895 -2.047 -1.502 74 HA LYS 14 HA LYS 14 -4.256 -1.774 0.802 75 HB2 LYS 14 1HB LYS 14 -4.964 -3.966 0.056 76 HB3 LYS 14 2HB LYS 14 -4.159 -3.741 -1.491 77 HG2 LYS 14 1HG LYS 14 -2.687 -5.095 -0.340 78 HG3 LYS 14 2HG LYS 14 -2.014 -3.484 -0.076 79 HD2 LYS 14 1HD LYS 14 -3.055 -3.379 2.114 80 HD3 LYS 14 2HD LYS 14 -3.826 -4.944 1.847 81 HE2 LYS 14 1HE LYS 14 -0.842 -4.531 1.827 82 HE3 LYS 14 2HE LYS 14 -1.750 -4.988 3.267 83 HZ1 LYS 14 3HZ LYS 14 -2.437 -6.684 1.115 84 HZ2 LYS 14 1HZ LYS 14 -1.747 -7.087 2.606 85 HZ3 LYS 14 2HZ LYS 14 -0.756 -6.666 1.302 86 H CYS 15 H CYS 15 -2.115 -1.279 1.016 87 HA CYS 15 HA CYS 15 -0.903 0.129 -1.232 88 HB2 CYS 15 1HB CYS 15 -0.890 1.341 0.839 89 HB3 CYS 15 2HB CYS 15 -0.196 -0.029 1.700 90 H SER 16 H SER 16 0.437 -0.901 -2.542 91 HA SER 16 HA SER 16 1.731 -3.361 -1.655 92 HB2 SER 16 1HB SER 16 2.268 -3.701 -4.021 93 HB3 SER 16 2HB SER 16 0.551 -3.353 -3.824 94 HG SER 16 HG SER 16 2.236 -1.184 -4.260 95 H GLU 17 H GLU 17 2.701 -0.995 -0.477 96 HA GLU 17 HA GLU 17 5.407 -0.882 -1.638 97 HB2 GLU 17 1HB GLU 17 3.960 1.372 -0.237 98 HB3 GLU 17 2HB GLU 17 5.590 1.437 -0.891 99 HG2 GLU 17 1HG GLU 17 4.373 2.477 -2.535 100 HG3 GLU 17 2HG GLU 17 4.449 0.821 -3.132 101 H CYS 18 H CYS 18 3.468 -0.561 1.312 102 HA CYS 18 HA CYS 18 5.810 -1.481 2.847 103 HB2 CYS 18 1HB CYS 18 4.894 -0.188 4.773 104 HB3 CYS 18 2HB CYS 18 5.393 0.825 3.423 105 H GLY 19 H GLY 19 2.254 -1.336 2.808 106 HA2 GLY 19 1HA GLY 19 1.235 -3.648 2.921 107 HA3 GLY 19 2HA GLY 19 2.235 -3.854 4.352 108 H LYS 20 H LYS 20 0.124 -1.229 3.184 109 HA LYS 20 HA LYS 20 -1.444 -1.502 5.656 110 HB2 LYS 20 1HB LYS 20 -0.101 0.942 4.564 111 HB3 LYS 20 2HB LYS 20 -1.609 1.112 5.453 112 HG2 LYS 20 1HG LYS 20 -0.670 0.281 7.430 113 HG3 LYS 20 2HG LYS 20 0.729 -0.387 6.585 114 HD2 LYS 20 1HD LYS 20 1.479 1.892 6.055 115 HD3 LYS 20 2HD LYS 20 0.092 2.544 6.931 116 HE2 LYS 20 1HE LYS 20 2.230 0.793 8.140 117 HE3 LYS 20 2HE LYS 20 2.187 2.552 8.256 118 HZ1 LYS 20 3HZ LYS 20 0.287 0.603 9.421 119 HZ2 LYS 20 1HZ LYS 20 -0.079 2.249 9.285 120 HZ3 LYS 20 2HZ LYS 20 1.234 1.751 10.227 121 H ALA 21 H ALA 21 -3.536 -1.730 5.247 122 HA ALA 21 HA ALA 21 -4.550 -0.952 2.606 123 HB1 ALA 21 3HB ALA 21 -5.078 -3.159 4.420 124 HB2 ALA 21 1HB ALA 21 -6.555 -2.385 3.843 125 HB3 ALA 21 2HB ALA 21 -5.382 -3.019 2.688 126 H PHE 22 H PHE 22 -6.416 0.282 2.364 127 HA PHE 22 HA PHE 22 -7.414 1.606 4.796 128 HB2 PHE 22 1HB PHE 22 -7.028 3.014 2.154 129 HB3 PHE 22 2HB PHE 22 -7.431 3.735 3.709 130 HD1 PHE 22 HD1 PHE 22 -4.756 2.081 1.782 131 HD2 PHE 22 HD2 PHE 22 -5.750 4.328 5.257 132 HE1 PHE 22 HE1 PHE 22 -2.364 2.456 2.220 133 HE2 PHE 22 HE2 PHE 22 -3.360 4.707 5.701 134 HZ PHE 22 HZ PHE 22 -1.663 3.771 4.181 135 H HIS 23 H HIS 23 -9.494 2.899 4.211 136 HA HIS 23 HA HIS 23 -11.249 1.036 2.780 137 HB2 HIS 23 1HB HIS 23 -13.064 1.946 4.050 138 HB3 HIS 23 2HB HIS 23 -11.742 1.641 5.172 139 HD1 HIS 23 HD1 HIS 23 -13.987 4.267 3.992 140 HD2 HIS 23 HD2 HIS 23 -10.331 4.064 5.954 141 HE1 HIS 23 HE1 HIS 23 -13.636 6.545 4.997 142 H ARG 24 H ARG 24 -10.413 4.466 2.997 143 HA ARG 24 HA ARG 24 -11.900 4.927 0.497 144 HB2 ARG 24 1HB ARG 24 -11.279 6.680 2.844 145 HB3 ARG 24 2HB ARG 24 -11.536 7.410 1.265 146 HG2 ARG 24 1HG ARG 24 -13.532 5.484 2.377 147 HG3 ARG 24 2HG ARG 24 -13.525 7.171 2.895 148 HD2 ARG 24 1HD ARG 24 -14.964 7.314 1.128 149 HD3 ARG 24 2HD ARG 24 -13.438 7.609 0.297 150 HE ARG 24 HE ARG 24 -13.664 5.592 -0.782 151 HH11 ARG 24 1HH1 ARG 24 -15.978 5.799 1.811 152 HH12 ARG 24 2HH1 ARG 24 -16.846 4.382 1.324 153 HH21 ARG 24 1HH2 ARG 24 -14.799 3.724 -1.433 154 HH22 ARG 24 2HH2 ARG 24 -16.174 3.201 -0.521 155 H HIS 25 H HIS 25 -10.923 6.087 -1.183 156 HA HIS 25 HA HIS 25 -8.242 5.535 -1.694 157 HB2 HIS 25 1HB HIS 25 -10.311 7.272 -2.933 158 HB3 HIS 25 2HB HIS 25 -8.635 7.584 -3.377 159 HD1 HIS 25 HD1 HIS 25 -11.357 5.893 -4.684 160 HD2 HIS 25 HD2 HIS 25 -7.423 4.756 -3.981 161 HE1 HIS 25 HE1 HIS 25 -10.944 3.928 -6.198 162 H THR 26 H THR 26 -9.706 8.673 -0.840 163 HA THR 26 HA THR 26 -7.648 10.369 -0.780 164 HB THR 26 HB THR 26 -8.588 11.245 1.477 165 HG1 THR 26 HG1 THR 26 -10.076 8.946 1.032 166 HG21 THR 26 3HG2 THR 26 -9.391 12.558 -0.171 167 HG22 THR 26 1HG2 THR 26 -10.884 11.654 0.079 168 HG23 THR 26 2HG2 THR 26 -9.777 11.187 -1.212 169 H HIS 27 H HIS 27 -8.201 7.863 1.660 170 HA HIS 27 HA HIS 27 -6.016 8.576 3.318 171 HB2 HIS 27 1HB HIS 27 -7.720 6.121 3.032 172 HB3 HIS 27 2HB HIS 27 -6.302 6.098 4.075 173 HD1 HIS 27 HD1 HIS 27 -8.976 5.692 5.387 174 HD2 HIS 27 HD2 HIS 27 -7.291 9.450 4.835 175 HE1 HIS 27 HE1 HIS 27 -10.062 7.175 7.103 176 H LEU 28 H LEU 28 -6.368 5.742 1.173 177 HA LEU 28 HA LEU 28 -3.817 4.783 1.247 178 HB2 LEU 28 1HB LEU 28 -5.561 3.639 0.055 179 HB3 LEU 28 2HB LEU 28 -5.680 4.952 -1.114 180 HG LEU 28 HG LEU 28 -3.381 4.388 -1.888 181 HD11 LEU 28 1HD1 LEU 28 -2.094 2.985 -0.756 182 HD12 LEU 28 2HD1 LEU 28 -3.298 1.706 -0.915 183 HD13 LEU 28 3HD1 LEU 28 -3.369 2.818 0.452 184 HD21 LEU 28 3HD2 LEU 28 -4.796 1.843 -2.224 185 HD22 LEU 28 1HD2 LEU 28 -4.246 3.008 -3.429 186 HD23 LEU 28 2HD2 LEU 28 -5.767 3.274 -2.575 187 H ASN 29 H ASN 29 -5.031 7.338 -0.903 188 HA ASN 29 HA ASN 29 -2.634 7.788 -2.290 189 HB2 ASN 29 1HB ASN 29 -5.026 8.655 -2.782 190 HB3 ASN 29 2HB ASN 29 -4.605 9.982 -1.703 191 HD21 ASN 29 1HD2 ASN 29 -4.366 11.659 -3.021 192 HD22 ASN 29 2HD2 ASN 29 -3.305 11.714 -4.384 193 H GLU 30 H GLU 30 -4.048 9.889 0.226 194 HA GLU 30 HA GLU 30 -1.930 11.544 0.680 195 HB2 GLU 30 1HB GLU 30 -4.031 10.449 2.518 196 HB3 GLU 30 2HB GLU 30 -2.770 11.497 3.152 197 HG2 GLU 30 1HG GLU 30 -3.522 13.010 1.112 198 HG3 GLU 30 2HG GLU 30 -5.028 12.122 1.340 199 H HIS 31 H HIS 31 -2.292 8.227 1.719 200 HA HIS 31 HA HIS 31 -0.099 8.242 3.549 201 HB2 HIS 31 1HB HIS 31 -1.608 6.528 3.989 202 HB3 HIS 31 2HB HIS 31 -1.795 6.118 2.286 203 HD1 HIS 31 HD1 HIS 31 0.570 5.644 5.179 204 HD2 HIS 31 HD2 HIS 31 -0.067 4.185 1.341 205 HE1 HIS 31 HE1 HIS 31 2.100 3.661 4.951 206 H ARG 32 H ARG 32 -0.517 7.104 0.209 207 HA ARG 32 HA ARG 32 1.942 5.992 -0.268 208 HB2 ARG 32 1HB ARG 32 0.088 7.565 -2.032 209 HB3 ARG 32 2HB ARG 32 1.615 6.955 -2.654 210 HG2 ARG 32 1HG ARG 32 0.966 4.695 -2.221 211 HG3 ARG 32 2HG ARG 32 -0.487 5.227 -1.372 212 HD2 ARG 32 1HD ARG 32 -1.237 4.596 -3.501 213 HD3 ARG 32 2HD ARG 32 -1.147 6.356 -3.560 214 HE ARG 32 HE ARG 32 1.243 5.073 -4.486 215 HH11 ARG 32 1HH1 ARG 32 -1.952 6.123 -5.383 216 HH12 ARG 32 2HH1 ARG 32 -1.574 6.263 -7.068 217 HH21 ARG 32 1HH2 ARG 32 1.753 5.254 -6.701 218 HH22 ARG 32 2HH2 ARG 32 0.534 5.769 -7.817 219 H ARG 33 H ARG 33 1.237 9.265 0.422 220 HA ARG 33 HA ARG 33 3.222 10.669 -0.891 221 HB2 ARG 33 1HB ARG 33 2.041 11.056 1.858 222 HB3 ARG 33 2HB ARG 33 3.163 12.200 1.135 223 HG2 ARG 33 1HG ARG 33 1.434 12.117 -0.851 224 HG3 ARG 33 2HG ARG 33 0.340 11.607 0.436 225 HD2 ARG 33 1HD ARG 33 0.096 13.913 0.440 226 HD3 ARG 33 2HD ARG 33 1.279 13.644 1.719 227 HE ARG 33 HE ARG 33 2.883 14.680 0.427 228 HH11 ARG 33 1HH1 ARG 33 0.005 14.130 -1.453 229 HH12 ARG 33 2HH1 ARG 33 0.521 15.124 -2.775 230 HH21 ARG 33 1HH2 ARG 33 3.574 15.992 -1.307 231 HH22 ARG 33 2HH2 ARG 33 2.551 16.182 -2.691 232 H ILE 34 H ILE 34 3.431 9.065 2.280 233 HA ILE 34 HA ILE 34 6.060 9.701 2.894 234 HB ILE 34 HB ILE 34 6.073 7.825 4.399 235 HG12 ILE 34 1HG1 ILE 34 3.454 6.798 3.409 236 HG13 ILE 34 2HG1 ILE 34 4.903 6.369 2.506 237 HG21 ILE 34 1HG2 ILE 34 3.488 8.149 5.183 238 HG22 ILE 34 2HG2 ILE 34 4.800 9.269 5.548 239 HG23 ILE 34 3HG2 ILE 34 3.735 9.575 4.175 240 HD11 ILE 34 3HD1 ILE 34 3.961 4.893 4.497 241 HD12 ILE 34 1HD1 ILE 34 5.684 5.018 4.142 242 HD13 ILE 34 2HD1 ILE 34 4.977 5.986 5.436 243 H HIS 35 H HIS 35 4.855 7.632 0.455 244 HA HIS 35 HA HIS 35 7.369 6.174 0.190 245 HB2 HIS 35 1HB HIS 35 4.699 5.950 -1.195 246 HB3 HIS 35 2HB HIS 35 6.119 5.061 -1.738 247 HD1 HIS 35 HD1 HIS 35 7.278 3.690 0.475 248 HD2 HIS 35 HD2 HIS 35 3.191 4.437 0.441 249 HE1 HIS 35 HE1 HIS 35 6.279 2.035 2.083 250 H THR 36 H THR 36 5.677 8.850 -1.180 251 HA THR 36 HA THR 36 7.638 9.000 -3.373 252 HB THR 36 HB THR 36 6.008 10.634 -4.407 253 HG1 THR 36 HG1 THR 36 3.948 9.529 -2.900 254 HG21 THR 36 3HG2 THR 36 4.868 7.876 -3.968 255 HG22 THR 36 1HG2 THR 36 6.221 8.214 -5.047 256 HG23 THR 36 2HG2 THR 36 4.639 8.924 -5.368 257 H GLY 37 H GLY 37 9.074 10.616 -3.383 258 HA2 GLY 37 1HA GLY 37 8.627 12.851 -1.500 259 HA3 GLY 37 2HA GLY 37 10.209 12.145 -1.800 260 H TYR 38 H TYR 38 11.048 12.328 -4.036 261 HA TYR 38 HA TYR 38 9.944 14.565 -5.558 262 HB2 TYR 38 1HB TYR 38 11.634 15.490 -3.967 263 HB3 TYR 38 2HB TYR 38 12.849 14.463 -4.720 264 HD1 TYR 38 HD1 TYR 38 10.562 17.310 -5.308 265 HD2 TYR 38 HD2 TYR 38 13.886 15.087 -6.761 266 HE1 TYR 38 HE1 TYR 38 10.991 19.059 -6.984 267 HE2 TYR 38 HE2 TYR 38 14.325 16.830 -8.440 268 HH TYR 38 HH TYR 38 13.714 19.516 -8.508 269 H ARG 39 H ARG 39 10.624 14.641 -7.741 270 HA ARG 39 HA ARG 39 12.017 12.222 -8.680 271 HB2 ARG 39 1HB ARG 39 9.576 13.551 -9.865 272 HB3 ARG 39 2HB ARG 39 10.518 12.320 -10.694 273 HG2 ARG 39 1HG ARG 39 9.256 11.865 -8.007 274 HG3 ARG 39 2HG ARG 39 8.428 11.533 -9.529 275 HD2 ARG 39 1HD ARG 39 9.924 9.837 -10.110 276 HD3 ARG 39 2HD ARG 39 11.139 10.391 -8.958 277 HE ARG 39 HE ARG 39 10.069 9.215 -7.295 278 HH11 ARG 39 1HH1 ARG 39 8.063 9.332 -10.138 279 HH12 ARG 39 2HH1 ARG 39 6.929 8.165 -9.545 280 HH21 ARG 39 1HH2 ARG 39 8.583 7.676 -6.503 281 HH22 ARG 39 2HH2 ARG 39 7.225 7.224 -7.477 282 HA PRO 40 HA PRO 40 14.707 14.998 -10.789 283 HB2 PRO 40 1HB PRO 40 15.689 13.291 -12.658 284 HB3 PRO 40 2HB PRO 40 16.157 13.224 -10.955 285 HG2 PRO 40 1HG PRO 40 14.159 11.559 -12.437 286 HG3 PRO 40 2HG PRO 40 15.371 11.055 -11.245 287 HD2 PRO 40 1HD PRO 40 12.760 11.396 -10.613 288 HD3 PRO 40 2HD PRO 40 14.071 11.713 -9.458 289 H SER 41 H SER 41 11.858 13.830 -12.046 290 HA SER 41 HA SER 41 12.261 15.067 -14.677 291 HB2 SER 41 1HB SER 41 11.312 12.738 -14.530 292 HB3 SER 41 2HB SER 41 9.892 13.431 -13.747 293 HG SER 41 HG SER 41 10.855 13.980 -16.359 294 H GLY 42 H GLY 42 12.118 17.241 -14.128 295 HA2 GLY 42 1HA GLY 42 9.416 18.112 -13.316 296 HA3 GLY 42 2HA GLY 42 10.855 18.859 -12.639 297 HA PRO 43 HA PRO 43 9.390 21.062 -16.556 298 HB2 PRO 43 1HB PRO 43 8.656 23.393 -15.375 299 HB3 PRO 43 2HB PRO 43 7.542 22.041 -15.606 300 HG2 PRO 43 1HG PRO 43 9.064 22.844 -13.157 301 HG3 PRO 43 2HG PRO 43 7.379 22.312 -13.302 302 HD2 PRO 43 1HD PRO 43 9.362 20.662 -12.477 303 HD3 PRO 43 2HD PRO 43 7.960 20.083 -13.399 304 H SER 44 H SER 44 11.682 21.310 -14.131 305 HA SER 44 HA SER 44 12.909 23.782 -14.897 306 HB2 SER 44 1HB SER 44 13.963 21.463 -13.260 307 HB3 SER 44 2HB SER 44 14.783 23.013 -13.449 308 HG SER 44 HG SER 44 12.577 22.346 -11.926 309 H SER 45 H SER 45 13.245 23.652 -17.124 310 HA SER 45 HA SER 45 14.433 21.568 -18.522 311 HB2 SER 45 1HB SER 45 14.615 24.537 -19.086 312 HB3 SER 45 2HB SER 45 14.989 23.257 -20.239 313 HG SER 45 HG SER 45 12.837 24.107 -20.435 314 H GLY 46 H GLY 46 15.996 24.473 -17.166 315 HA2 GLY 46 1HA GLY 46 18.589 23.096 -17.447 316 HA3 GLY 46 2HA GLY 46 18.379 24.839 -17.368
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