NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24888 | 2k5e | 15833 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -17.929 12.819 -1.886 2 H2 MET 1 2H MET 1 -17.855 11.438 -0.910 3 H3 MET 1 3H MET 1 -17.778 11.292 -2.593 4 HA MET 1 HA MET 1 -15.692 12.443 -2.665 5 HB2 MET 1 2HB MET 1 -14.518 13.029 -0.579 6 HB3 MET 1 3HB MET 1 -16.022 13.919 -0.760 7 HG2 MET 1 2HG MET 1 -15.536 11.548 1.037 8 HG3 MET 1 3HG MET 1 -15.753 13.227 1.529 9 HE1 MET 1 3HE MET 1 -17.636 12.419 3.279 10 HE2 MET 1 1HE MET 1 -17.391 10.755 2.747 11 HE3 MET 1 2HE MET 1 -19.019 11.431 2.811 12 H THR 2 H THR 2 -14.529 10.787 -3.407 13 HA THR 2 HA THR 2 -14.333 8.302 -1.837 14 HB THR 2 HB THR 2 -14.998 8.043 -4.187 15 HG1 THR 2 HG1 THR 2 -13.811 6.275 -4.358 16 HG21 THR 2 3HG2 THR 2 -13.862 9.990 -5.142 17 HG22 THR 2 1HG2 THR 2 -13.413 8.520 -6.006 18 HG23 THR 2 2HG2 THR 2 -12.296 9.236 -4.845 19 H GLN 3 H GLN 3 -12.030 7.173 -2.365 20 HA GLN 3 HA GLN 3 -9.952 9.158 -1.661 21 HB2 GLN 3 2HB GLN 3 -10.114 6.259 -0.802 22 HB3 GLN 3 3HB GLN 3 -8.796 7.360 -0.423 23 HG2 GLN 3 2HG GLN 3 -10.477 8.807 0.757 24 HG3 GLN 3 3HG GLN 3 -11.648 7.509 0.531 25 HE21 GLN 3 1HE2 GLN 3 -9.546 5.443 0.906 26 HE22 GLN 3 2HE2 GLN 3 -9.262 5.406 2.608 27 H LYS 4 H LYS 4 -8.205 9.286 -2.948 28 HA LYS 4 HA LYS 4 -8.002 7.858 -5.369 29 HB2 LYS 4 2HB LYS 4 -5.928 9.474 -3.874 30 HB3 LYS 4 3HB LYS 4 -5.705 8.856 -5.506 31 HG2 LYS 4 2HG LYS 4 -7.712 10.160 -6.207 32 HG3 LYS 4 3HG LYS 4 -7.762 10.863 -4.589 33 HD2 LYS 4 2HD LYS 4 -6.640 12.347 -6.195 34 HD3 LYS 4 3HD LYS 4 -5.543 11.825 -4.915 35 HE2 LYS 4 2HE LYS 4 -4.480 11.772 -7.139 36 HE3 LYS 4 3HE LYS 4 -4.552 10.173 -6.401 37 HZ1 LYS 4 3HZ LYS 4 -6.476 11.184 -8.427 38 HZ2 LYS 4 1HZ LYS 4 -6.407 9.616 -7.794 39 HZ3 LYS 4 2HZ LYS 4 -5.154 10.192 -8.772 40 H PHE 5 H PHE 5 -6.837 7.141 -2.183 41 HA PHE 5 HA PHE 5 -5.671 4.634 -3.217 42 HB2 PHE 5 2HB PHE 5 -4.998 6.115 -0.658 43 HB3 PHE 5 3HB PHE 5 -4.342 4.545 -1.116 44 HD1 PHE 5 HD2 PHE 5 -2.795 4.354 -3.031 45 HD2 PHE 5 HD1 PHE 5 -4.158 8.140 -1.624 46 HE1 PHE 5 HE2 PHE 5 -0.982 5.466 -4.265 47 HE2 PHE 5 HE1 PHE 5 -2.346 9.253 -2.861 48 HZ PHE 5 HZ PHE 5 -0.755 7.915 -4.182 49 H THR 6 H THR 6 -7.004 2.980 -2.926 50 HA THR 6 HA THR 6 -8.697 2.899 -0.497 51 HB THR 6 HB THR 6 -10.170 3.251 -2.364 52 HG1 THR 6 HG1 THR 6 -11.497 1.538 -1.990 53 HG21 THR 6 3HG2 THR 6 -10.244 1.760 -4.304 54 HG22 THR 6 1HG2 THR 6 -8.875 0.849 -3.667 55 HG23 THR 6 2HG2 THR 6 -8.661 2.526 -4.168 56 H LYS 7 H LYS 7 -9.347 0.711 0.182 57 HA LYS 7 HA LYS 7 -7.103 -1.031 0.393 58 HB2 LYS 7 2HB LYS 7 -8.658 -2.515 1.615 59 HB3 LYS 7 3HB LYS 7 -8.724 -0.856 2.192 60 HG2 LYS 7 2HG LYS 7 -10.782 -0.491 0.900 61 HG3 LYS 7 3HG LYS 7 -10.718 -2.164 0.342 62 HD2 LYS 7 2HD LYS 7 -12.276 -1.930 2.211 63 HD3 LYS 7 3HD LYS 7 -10.907 -2.951 2.655 64 HE2 LYS 7 2HE LYS 7 -9.853 -0.916 3.694 65 HE3 LYS 7 3HE LYS 7 -11.374 -0.068 3.420 66 HZ1 LYS 7 3HZ LYS 7 -11.028 -2.517 5.062 67 HZ2 LYS 7 1HZ LYS 7 -12.485 -1.697 4.812 68 HZ3 LYS 7 2HZ LYS 7 -11.229 -0.946 5.660 69 H ASP 8 H ASP 8 -9.637 -0.751 -1.888 70 HA ASP 8 HA ASP 8 -9.737 -3.500 -2.719 71 HB2 ASP 8 2HB ASP 8 -11.639 -1.867 -2.878 72 HB3 ASP 8 3HB ASP 8 -10.768 -1.050 -4.170 73 H MET 9 H MET 9 -7.929 -0.658 -3.733 74 HA MET 9 HA MET 9 -7.192 -1.701 -6.312 75 HB2 MET 9 2HB MET 9 -5.778 0.261 -6.519 76 HB3 MET 9 3HB MET 9 -7.343 0.732 -5.871 77 HG2 MET 9 2HG MET 9 -6.286 0.645 -3.585 78 HG3 MET 9 3HG MET 9 -4.734 0.483 -4.400 79 HE1 MET 9 3HE MET 9 -3.707 2.389 -6.013 80 HE2 MET 9 1HE MET 9 -4.579 3.868 -6.416 81 HE3 MET 9 2HE MET 9 -5.185 2.308 -6.974 82 H THR 10 H THR 10 -4.938 -2.101 -6.981 83 HA THR 10 HA THR 10 -3.656 -3.905 -5.095 84 HB THR 10 HB THR 10 -2.263 -4.615 -6.966 85 HG1 THR 10 HG1 THR 10 -2.704 -3.581 -9.059 86 HG21 THR 10 3HG2 THR 10 -3.995 -5.460 -8.474 87 HG22 THR 10 1HG2 THR 10 -5.146 -4.286 -7.834 88 HG23 THR 10 2HG2 THR 10 -4.530 -5.573 -6.797 89 H PHE 11 H PHE 11 -1.338 -3.919 -4.714 90 HA PHE 11 HA PHE 11 -0.235 -1.479 -3.905 91 HB2 PHE 11 2HB PHE 11 1.085 -4.128 -4.529 92 HB3 PHE 11 3HB PHE 11 1.957 -2.763 -3.843 93 HD1 PHE 11 HD1 PHE 11 1.490 -2.008 -1.562 94 HD2 PHE 11 HD2 PHE 11 -0.434 -5.437 -3.193 95 HE1 PHE 11 HE1 PHE 11 0.832 -2.711 0.701 96 HE2 PHE 11 HE2 PHE 11 -1.098 -6.142 -0.933 97 HZ PHE 11 HZ PHE 11 -0.465 -4.779 1.019 98 H ALA 12 H ALA 12 0.275 -3.304 -6.919 99 HA ALA 12 HA ALA 12 2.335 -1.765 -8.022 100 HB1 ALA 12 3HB ALA 12 1.625 -3.924 -8.943 101 HB2 ALA 12 1HB ALA 12 1.660 -2.672 -10.185 102 HB3 ALA 12 2HB ALA 12 0.120 -3.193 -9.500 103 H GLN 13 H GLN 13 -1.191 -1.297 -8.216 104 HA GLN 13 HA GLN 13 -1.059 0.957 -9.951 105 HB2 GLN 13 2HB GLN 13 -3.234 0.056 -8.047 106 HB3 GLN 13 3HB GLN 13 -3.419 1.360 -9.214 107 HG2 GLN 13 2HG GLN 13 -2.951 -0.242 -11.035 108 HG3 GLN 13 3HG GLN 13 -2.857 -1.535 -9.842 109 HE21 GLN 13 1HE2 GLN 13 -5.153 1.095 -9.665 110 HE22 GLN 13 2HE2 GLN 13 -6.553 0.137 -9.979 111 H ALA 14 H ALA 14 -1.251 0.656 -6.402 112 HA ALA 14 HA ALA 14 -1.467 3.374 -5.768 113 HB1 ALA 14 3HB ALA 14 -1.778 1.562 -4.142 114 HB2 ALA 14 1HB ALA 14 -0.639 2.778 -3.561 115 HB3 ALA 14 2HB ALA 14 -0.045 1.237 -4.179 116 H LEU 15 H LEU 15 1.477 1.389 -6.101 117 HA LEU 15 HA LEU 15 3.386 3.347 -5.542 118 HB2 LEU 15 2HB LEU 15 3.575 1.007 -7.446 119 HB3 LEU 15 3HB LEU 15 4.947 1.945 -6.885 120 HG LEU 15 HG LEU 15 3.135 0.266 -5.138 121 HD11 LEU 15 1HD1 LEU 15 4.546 -1.124 -6.528 122 HD12 LEU 15 2HD1 LEU 15 5.125 -1.162 -4.862 123 HD13 LEU 15 3HD1 LEU 15 5.969 -0.190 -6.068 124 HD21 LEU 15 3HD2 LEU 15 5.625 1.830 -4.441 125 HD22 LEU 15 1HD2 LEU 15 4.760 0.736 -3.361 126 HD23 LEU 15 2HD2 LEU 15 3.978 2.208 -3.933 127 H GLN 16 H GLN 16 1.819 2.571 -8.637 128 HA GLN 16 HA GLN 16 3.384 4.500 -10.108 129 HB2 GLN 16 2HB GLN 16 0.931 2.921 -10.910 130 HB3 GLN 16 3HB GLN 16 1.893 3.906 -12.005 131 HG2 GLN 16 2HG GLN 16 2.897 1.512 -10.473 132 HG3 GLN 16 3HG GLN 16 2.417 1.511 -12.167 133 HE21 GLN 16 1HE2 GLN 16 4.817 2.564 -9.876 134 HE22 GLN 16 2HE2 GLN 16 6.032 2.966 -11.034 135 H THR 17 H THR 17 0.712 4.779 -8.077 136 HA THR 17 HA THR 17 -0.441 7.098 -9.412 137 HB THR 17 HB THR 17 -1.047 5.908 -6.685 138 HG1 THR 17 HG1 THR 17 -1.640 4.636 -8.579 139 HG21 THR 17 3HG2 THR 17 -1.617 8.288 -6.742 140 HG22 THR 17 1HG2 THR 17 -3.079 7.300 -6.745 141 HG23 THR 17 2HG2 THR 17 -2.517 8.051 -8.239 142 H HIS 18 H HIS 18 1.515 6.433 -6.510 143 HA HIS 18 HA HIS 18 2.729 9.074 -6.767 144 HB2 HIS 18 2HB HIS 18 1.221 8.179 -4.313 145 HB3 HIS 18 3HB HIS 18 2.550 9.321 -4.186 146 HD1 HIS 18 HD1 HIS 18 -0.923 9.006 -5.581 147 HD2 HIS 18 HD2 HIS 18 1.966 11.919 -4.974 148 HE1 HIS 18 HE1 HIS 18 -2.081 11.186 -5.997 149 HE2 HIS 18 HE2 HIS 18 -0.266 12.914 -5.823 150 HA PRO 19 HA PRO 19 6.228 6.252 -6.176 151 HB2 PRO 19 2HB PRO 19 7.593 8.898 -5.866 152 HB3 PRO 19 3HB PRO 19 8.051 7.503 -6.854 153 HG2 PRO 19 2HG PRO 19 6.957 9.632 -7.999 154 HG3 PRO 19 3HG PRO 19 6.482 8.000 -8.510 155 HD2 PRO 19 2HD PRO 19 5.010 9.944 -6.764 156 HD3 PRO 19 3HD PRO 19 4.379 8.843 -8.008 157 H GLY 20 H GLY 20 5.499 9.021 -4.066 158 HA2 GLY 20 2HA GLY 20 7.164 8.392 -1.895 159 HA3 GLY 20 3HA GLY 20 5.665 9.301 -1.789 160 H VAL 21 H VAL 21 4.228 6.868 -2.926 161 HA VAL 21 HA VAL 21 3.348 5.682 -0.547 162 HB VAL 21 HB VAL 21 3.201 4.620 -3.384 163 HG11 VAL 21 1HG1 VAL 21 2.904 2.789 -1.790 164 HG12 VAL 21 2HG1 VAL 21 1.385 3.171 -2.599 165 HG13 VAL 21 3HG1 VAL 21 1.663 3.714 -0.943 166 HG21 VAL 21 3HG2 VAL 21 1.164 6.101 -1.710 167 HG22 VAL 21 1HG2 VAL 21 0.920 5.504 -3.352 168 HG23 VAL 21 2HG2 VAL 21 2.095 6.783 -3.044 169 H ALA 22 H ALA 22 5.917 4.712 -2.776 170 HA ALA 22 HA ALA 22 6.457 2.146 -1.807 171 HB1 ALA 22 3HB ALA 22 8.428 4.171 -2.885 172 HB2 ALA 22 1HB ALA 22 7.476 3.039 -3.845 173 HB3 ALA 22 2HB ALA 22 8.708 2.436 -2.736 174 H GLY 23 H GLY 23 7.774 5.282 -0.716 175 HA2 GLY 23 2HA GLY 23 9.458 4.302 1.314 176 HA3 GLY 23 3HA GLY 23 8.760 5.914 1.264 177 H VAL 24 H VAL 24 6.076 5.392 1.487 178 HA VAL 24 HA VAL 24 5.681 4.996 4.238 179 HB VAL 24 HB VAL 24 3.636 4.731 2.013 180 HG11 VAL 24 1HG1 VAL 24 2.821 3.758 4.105 181 HG12 VAL 24 2HG1 VAL 24 1.964 5.256 3.732 182 HG13 VAL 24 3HG1 VAL 24 3.225 5.244 4.968 183 HG21 VAL 24 3HG2 VAL 24 4.425 7.135 3.669 184 HG22 VAL 24 1HG2 VAL 24 3.105 7.082 2.499 185 HG23 VAL 24 2HG2 VAL 24 4.772 6.889 1.958 186 H LEU 25 H LEU 25 4.969 2.780 1.519 187 HA LEU 25 HA LEU 25 4.029 0.631 3.035 188 HB2 LEU 25 2HB LEU 25 5.478 0.590 0.381 189 HB3 LEU 25 3HB LEU 25 4.625 -0.779 1.069 190 HG LEU 25 HG LEU 25 3.389 1.839 0.194 191 HD11 LEU 25 1HD1 LEU 25 3.158 -0.945 -0.949 192 HD12 LEU 25 2HD1 LEU 25 4.040 0.405 -1.662 193 HD13 LEU 25 3HD1 LEU 25 2.284 0.480 -1.512 194 HD21 LEU 25 3HD2 LEU 25 2.059 -0.605 1.374 195 HD22 LEU 25 1HD2 LEU 25 1.231 0.811 0.723 196 HD23 LEU 25 2HD2 LEU 25 2.236 0.962 2.163 197 H ARG 26 H ARG 26 7.375 1.216 1.870 198 HA ARG 26 HA ARG 26 8.497 -1.094 3.028 199 HB2 ARG 26 2HB ARG 26 9.825 1.562 2.434 200 HB3 ARG 26 3HB ARG 26 10.682 0.077 2.833 201 HG2 ARG 26 2HG ARG 26 9.613 -0.975 0.818 202 HG3 ARG 26 3HG ARG 26 8.999 0.622 0.391 203 HD2 ARG 26 2HD ARG 26 11.015 0.242 -0.848 204 HD3 ARG 26 3HD ARG 26 11.356 1.454 0.388 205 HE ARG 26 HE ARG 26 12.007 -1.048 1.436 206 HH11 ARG 26 1HH1 ARG 26 13.104 1.036 -1.087 207 HH12 ARG 26 2HH1 ARG 26 14.729 0.464 -0.989 208 HH21 ARG 26 1HH2 ARG 26 14.081 -1.766 1.535 209 HH22 ARG 26 2HH2 ARG 26 15.281 -1.099 0.479 210 H SER 27 H SER 27 7.994 2.146 4.373 211 HA SER 27 HA SER 27 9.255 1.708 6.873 212 HB2 SER 27 2HB SER 27 8.666 3.968 6.125 213 HB3 SER 27 3HB SER 27 6.952 3.559 6.174 214 HG SER 27 HG SER 27 8.739 3.656 8.392 215 H TYR 28 H TYR 28 6.081 0.892 5.647 216 HA TYR 28 HA TYR 28 5.152 -0.041 8.260 217 HB2 TYR 28 2HB TYR 28 3.829 0.309 5.572 218 HB3 TYR 28 3HB TYR 28 3.058 -0.636 6.840 219 HD1 TYR 28 HD1 TYR 28 4.889 2.637 6.754 220 HD2 TYR 28 HD2 TYR 28 1.354 0.539 7.870 221 HE1 TYR 28 HE1 TYR 28 3.982 4.695 7.734 222 HE2 TYR 28 HE2 TYR 28 0.437 2.597 8.852 223 HH TYR 28 HH TYR 28 1.231 4.715 9.759 224 H ASN 29 H ASN 29 7.330 -1.400 6.555 225 HA ASN 29 HA ASN 29 8.102 -3.537 6.355 226 HB2 ASN 29 2HB ASN 29 7.100 -3.880 8.587 227 HB3 ASN 29 3HB ASN 29 5.569 -4.304 7.836 228 HD21 ASN 29 1HD2 ASN 29 8.839 -5.324 8.432 229 HD22 ASN 29 2HD2 ASN 29 8.592 -6.988 8.043 230 H LEU 30 H LEU 30 5.621 -2.348 4.676 231 HA LEU 30 HA LEU 30 4.812 -4.777 3.276 232 HB2 LEU 30 2HB LEU 30 4.037 -1.885 2.860 233 HB3 LEU 30 3HB LEU 30 3.359 -3.238 1.973 234 HG LEU 30 HG LEU 30 3.092 -2.795 4.956 235 HD11 LEU 30 1HD1 LEU 30 0.737 -2.329 4.455 236 HD12 LEU 30 2HD1 LEU 30 1.080 -2.449 2.730 237 HD13 LEU 30 3HD1 LEU 30 1.812 -1.161 3.688 238 HD21 LEU 30 3HD2 LEU 30 1.479 -4.642 4.859 239 HD22 LEU 30 1HD2 LEU 30 3.098 -5.161 4.389 240 HD23 LEU 30 2HD2 LEU 30 1.867 -4.888 3.155 241 H GLY 31 H GLY 31 7.599 -3.325 3.139 242 HA2 GLY 31 2HA GLY 31 7.918 -2.520 0.419 243 HA3 GLY 31 3HA GLY 31 9.210 -2.932 1.534 244 H CYS 32 H CYS 32 8.028 -5.606 2.026 245 HA CYS 32 HA CYS 32 9.479 -7.080 0.105 246 HB2 CYS 32 2HB CYS 32 7.351 -8.064 2.020 247 HB3 CYS 32 3HB CYS 32 8.538 -9.069 1.194 248 HG CYS 32 HG CYS 32 9.160 -8.712 3.958 249 H ILE 33 H ILE 33 6.486 -5.633 -0.322 250 HA ILE 33 HA ILE 33 4.888 -7.517 -1.596 251 HB ILE 33 HB ILE 33 3.880 -5.612 -2.861 252 HG12 ILE 33 2HG1 ILE 33 5.998 -3.977 -1.422 253 HG13 ILE 33 3HG1 ILE 33 5.948 -4.279 -3.155 254 HG21 ILE 33 1HG2 ILE 33 4.284 -5.174 0.101 255 HG22 ILE 33 2HG2 ILE 33 3.076 -6.220 -0.646 256 HG23 ILE 33 3HG2 ILE 33 2.992 -4.474 -0.877 257 HD11 ILE 33 3HD1 ILE 33 5.133 -2.064 -2.630 258 HD12 ILE 33 1HD1 ILE 33 3.902 -2.745 -1.565 259 HD13 ILE 33 2HD1 ILE 33 3.838 -3.055 -3.301 260 H GLY 34 H GLY 34 7.679 -5.800 -2.881 261 HA2 GLY 34 2HA GLY 34 7.240 -6.483 -5.620 262 HA3 GLY 34 3HA GLY 34 8.759 -5.952 -4.918 263 H CYS 35 H CYS 35 8.999 -8.054 -2.987 264 HA CYS 35 HA CYS 35 10.180 -10.065 -4.672 265 HB2 CYS 35 2HB CYS 35 11.275 -9.330 -2.605 266 HB3 CYS 35 3HB CYS 35 9.921 -9.933 -1.657 267 HG CYS 35 HG CYS 35 10.648 -12.559 -3.160 268 H MET 36 H MET 36 7.613 -10.160 -2.173 269 HA MET 36 HA MET 36 6.925 -12.880 -2.647 270 HB2 MET 36 2HB MET 36 5.005 -12.461 -1.195 271 HB3 MET 36 3HB MET 36 6.463 -11.762 -0.512 272 HG2 MET 36 2HG MET 36 5.764 -9.553 -1.386 273 HG3 MET 36 3HG MET 36 4.261 -10.285 -1.939 274 HE1 MET 36 3HE MET 36 3.651 -12.347 0.418 275 HE2 MET 36 1HE MET 36 2.410 -11.304 -0.276 276 HE3 MET 36 2HE MET 36 2.623 -11.376 1.473 277 H GLY 37 H GLY 37 6.445 -10.303 -4.665 278 HA2 GLY 37 2HA GLY 37 5.261 -10.127 -6.635 279 HA3 GLY 37 3HA GLY 37 4.652 -11.749 -6.353 280 H ALA 38 H ALA 38 4.182 -9.176 -4.022 281 HA ALA 38 HA ALA 38 1.314 -9.519 -4.187 282 HB1 ALA 38 3HB ALA 38 2.435 -9.306 -2.017 283 HB2 ALA 38 1HB ALA 38 1.215 -8.054 -2.249 284 HB3 ALA 38 2HB ALA 38 2.927 -7.665 -2.435 285 H GLN 39 H GLN 39 3.202 -7.898 -6.190 286 HA GLN 39 HA GLN 39 2.278 -5.259 -6.310 287 HB2 GLN 39 2HB GLN 39 3.062 -7.071 -8.611 288 HB3 GLN 39 3HB GLN 39 2.944 -5.319 -8.692 289 HG2 GLN 39 2HG GLN 39 4.876 -6.882 -6.988 290 HG3 GLN 39 3HG GLN 39 5.260 -6.061 -8.499 291 HE21 GLN 39 1HE2 GLN 39 4.541 -5.665 -5.130 292 HE22 GLN 39 2HE2 GLN 39 4.990 -4.002 -5.025 293 H ASN 40 H ASN 40 0.917 -8.217 -7.689 294 HA ASN 40 HA ASN 40 -1.324 -6.805 -8.904 295 HB2 ASN 40 2HB ASN 40 -0.768 -9.784 -8.741 296 HB3 ASN 40 3HB ASN 40 -1.953 -8.997 -9.783 297 HD21 ASN 40 1HD2 ASN 40 0.382 -10.685 -10.410 298 HD22 ASN 40 2HD2 ASN 40 1.346 -9.750 -11.497 299 H GLU 41 H GLU 41 -0.811 -7.253 -5.852 300 HA GLU 41 HA GLU 41 -3.383 -8.527 -5.172 301 HB2 GLU 41 2HB GLU 41 -1.366 -9.613 -4.260 302 HB3 GLU 41 3HB GLU 41 -0.912 -8.110 -3.470 303 HG2 GLU 41 2HG GLU 41 -2.810 -8.226 -2.017 304 HG3 GLU 41 3HG GLU 41 -3.451 -9.617 -2.890 305 H SER 42 H SER 42 -4.807 -7.510 -3.713 306 HA SER 42 HA SER 42 -4.859 -4.661 -3.828 307 HB2 SER 42 2HB SER 42 -6.576 -6.561 -2.204 308 HB3 SER 42 3HB SER 42 -6.900 -4.843 -2.425 309 HG SER 42 HG SER 42 -7.870 -5.378 -4.197 310 H LEU 43 H LEU 43 -4.808 -3.142 -2.124 311 HA LEU 43 HA LEU 43 -2.614 -3.305 -0.446 312 HB2 LEU 43 2HB LEU 43 -5.052 -1.546 -0.137 313 HB3 LEU 43 3HB LEU 43 -3.535 -1.307 0.707 314 HG LEU 43 HG LEU 43 -3.958 -1.109 -2.283 315 HD11 LEU 43 1HD1 LEU 43 -3.449 1.257 -1.973 316 HD12 LEU 43 2HD1 LEU 43 -3.297 1.009 -0.233 317 HD13 LEU 43 3HD1 LEU 43 -4.859 0.790 -1.020 318 HD21 LEU 43 3HD2 LEU 43 -1.755 -2.035 -1.781 319 HD22 LEU 43 1HD2 LEU 43 -1.442 -0.711 -0.656 320 HD23 LEU 43 2HD2 LEU 43 -1.617 -0.382 -2.380 321 H GLU 44 H GLU 44 -6.026 -3.892 0.422 322 HA GLU 44 HA GLU 44 -5.565 -4.200 3.198 323 HB2 GLU 44 2HB GLU 44 -7.792 -3.751 2.237 324 HB3 GLU 44 3HB GLU 44 -7.817 -5.367 1.541 325 HG2 GLU 44 2HG GLU 44 -7.832 -6.366 3.735 326 HG3 GLU 44 3HG GLU 44 -7.618 -4.791 4.494 327 H GLN 45 H GLN 45 -5.437 -6.506 0.536 328 HA GLN 45 HA GLN 45 -5.400 -8.876 2.083 329 HB2 GLN 45 2HB GLN 45 -4.216 -8.349 -0.655 330 HB3 GLN 45 3HB GLN 45 -4.464 -9.941 0.049 331 HG2 GLN 45 2HG GLN 45 -6.878 -9.554 0.087 332 HG3 GLN 45 3HG GLN 45 -6.632 -7.950 -0.601 333 HE21 GLN 45 1HE2 GLN 45 -7.869 -8.417 -2.416 334 HE22 GLN 45 2HE2 GLN 45 -7.316 -9.472 -3.668 335 H GLY 46 H GLY 46 -2.709 -7.001 0.652 336 HA2 GLY 46 2HA GLY 46 -0.623 -8.497 1.848 337 HA3 GLY 46 3HA GLY 46 -0.490 -6.853 1.241 338 H ALA 47 H ALA 47 -2.470 -5.715 2.996 339 HA ALA 47 HA ALA 47 -0.932 -4.992 5.209 340 HB1 ALA 47 3HB ALA 47 -2.793 -3.648 4.362 341 HB2 ALA 47 1HB ALA 47 -2.966 -3.960 6.089 342 HB3 ALA 47 2HB ALA 47 -3.936 -4.865 4.926 343 H ASN 48 H ASN 48 -3.852 -7.088 5.249 344 HA ASN 48 HA ASN 48 -3.552 -7.928 7.915 345 HB2 ASN 48 2HB ASN 48 -4.944 -9.273 5.593 346 HB3 ASN 48 3HB ASN 48 -5.034 -9.862 7.252 347 HD21 ASN 48 1HD2 ASN 48 -6.108 -7.476 5.017 348 HD22 ASN 48 2HD2 ASN 48 -7.252 -6.717 6.063 349 H ALA 49 H ALA 49 -2.189 -9.249 4.934 350 HA ALA 49 HA ALA 49 -1.106 -11.631 5.933 351 HB1 ALA 49 3HB ALA 49 0.472 -11.510 4.067 352 HB2 ALA 49 1HB ALA 49 0.044 -9.818 3.811 353 HB3 ALA 49 2HB ALA 49 -1.159 -11.080 3.553 354 H HIS 50 H HIS 50 0.054 -8.319 6.184 355 HA HIS 50 HA HIS 50 2.452 -9.211 7.644 356 HB2 HIS 50 2HB HIS 50 1.690 -6.517 6.491 357 HB3 HIS 50 3HB HIS 50 3.135 -6.791 7.455 358 HD1 HIS 50 HD1 HIS 50 5.034 -6.692 5.849 359 HD2 HIS 50 HD2 HIS 50 1.856 -8.904 4.344 360 HE1 HIS 50 HE1 HIS 50 5.820 -7.580 3.644 361 HE2 HIS 50 HE2 HIS 50 3.990 -9.127 2.899 362 H GLY 51 H GLY 51 -0.572 -8.820 8.506 363 HA2 GLY 51 2HA GLY 51 -1.584 -8.547 10.551 364 HA3 GLY 51 3HA GLY 51 0.016 -8.395 11.251 365 H LEU 52 H LEU 52 -1.403 -6.270 8.808 366 HA LEU 52 HA LEU 52 -1.421 -4.081 10.799 367 HB2 LEU 52 2HB LEU 52 -0.794 -3.913 7.843 368 HB3 LEU 52 3HB LEU 52 -0.881 -2.548 8.941 369 HG LEU 52 HG LEU 52 1.145 -4.792 9.104 370 HD11 LEU 52 1HD1 LEU 52 2.753 -3.074 8.417 371 HD12 LEU 52 2HD1 LEU 52 1.432 -1.924 8.209 372 HD13 LEU 52 3HD1 LEU 52 1.528 -3.353 7.181 373 HD21 LEU 52 3HD2 LEU 52 2.226 -3.400 10.805 374 HD22 LEU 52 1HD2 LEU 52 0.603 -3.879 11.306 375 HD23 LEU 52 2HD2 LEU 52 0.896 -2.245 10.709 376 H ASN 53 H ASN 53 -2.970 -2.333 10.363 377 HA ASN 53 HA ASN 53 -5.427 -3.328 9.094 378 HB2 ASN 53 2HB ASN 53 -5.478 -2.419 11.453 379 HB3 ASN 53 3HB ASN 53 -5.097 -0.835 10.786 380 HD21 ASN 53 1HD2 ASN 53 -7.428 -1.581 12.261 381 HD22 ASN 53 2HD2 ASN 53 -8.786 -1.310 11.229 382 H VAL 54 H VAL 54 -6.029 -2.612 7.152 383 HA VAL 54 HA VAL 54 -4.364 -0.989 5.586 384 HB VAL 54 HB VAL 54 -5.905 -2.711 4.682 385 HG11 VAL 54 1HG1 VAL 54 -7.868 -2.238 6.028 386 HG12 VAL 54 2HG1 VAL 54 -8.264 -2.152 4.313 387 HG13 VAL 54 3HG1 VAL 54 -8.057 -0.668 5.244 388 HG21 VAL 54 3HG2 VAL 54 -4.907 -1.041 3.199 389 HG22 VAL 54 1HG2 VAL 54 -6.270 0.043 3.486 390 HG23 VAL 54 2HG2 VAL 54 -6.522 -1.491 2.653 391 H GLU 55 H GLU 55 -7.036 -0.145 7.667 392 HA GLU 55 HA GLU 55 -7.852 2.289 6.592 393 HB2 GLU 55 2HB GLU 55 -7.640 1.541 9.518 394 HB3 GLU 55 3HB GLU 55 -8.583 2.879 8.879 395 HG2 GLU 55 2HG GLU 55 -9.043 -0.058 8.390 396 HG3 GLU 55 3HG GLU 55 -10.022 1.021 9.380 397 H ASP 56 H ASP 56 -5.316 1.741 9.049 398 HA ASP 56 HA ASP 56 -4.504 4.430 9.280 399 HB2 ASP 56 2HB ASP 56 -3.962 2.699 10.952 400 HB3 ASP 56 3HB ASP 56 -2.897 1.909 9.792 401 H ILE 57 H ILE 57 -3.512 1.851 7.104 402 HA ILE 57 HA ILE 57 -1.264 3.133 5.955 403 HB ILE 57 HB ILE 57 -3.104 1.094 4.666 404 HG12 ILE 57 2HG1 ILE 57 -0.563 0.677 6.276 405 HG13 ILE 57 3HG1 ILE 57 -2.194 0.339 6.847 406 HG21 ILE 57 1HG2 ILE 57 -1.150 0.545 3.270 407 HG22 ILE 57 2HG2 ILE 57 -0.249 1.859 4.028 408 HG23 ILE 57 3HG2 ILE 57 -1.668 2.216 3.046 409 HD11 ILE 57 3HD1 ILE 57 -0.809 -1.027 4.549 410 HD12 ILE 57 1HD1 ILE 57 -2.443 -1.365 5.120 411 HD13 ILE 57 2HD1 ILE 57 -1.060 -1.689 6.165 412 H LEU 58 H LEU 58 -4.634 2.872 4.792 413 HA LEU 58 HA LEU 58 -4.409 4.500 2.531 414 HB2 LEU 58 2HB LEU 58 -6.815 4.147 4.333 415 HB3 LEU 58 3HB LEU 58 -6.852 4.797 2.703 416 HG LEU 58 HG LEU 58 -6.136 1.963 3.485 417 HD11 LEU 58 1HD1 LEU 58 -8.180 1.373 2.264 418 HD12 LEU 58 2HD1 LEU 58 -8.521 3.084 2.010 419 HD13 LEU 58 3HD1 LEU 58 -8.517 2.418 3.643 420 HD21 LEU 58 3HD2 LEU 58 -6.018 1.518 1.074 421 HD22 LEU 58 1HD2 LEU 58 -4.791 2.677 1.581 422 HD23 LEU 58 2HD2 LEU 58 -6.240 3.237 0.745 423 H ARG 59 H ARG 59 -5.019 5.340 5.900 424 HA ARG 59 HA ARG 59 -5.657 8.023 5.730 425 HB2 ARG 59 2HB ARG 59 -5.680 6.947 7.864 426 HB3 ARG 59 3HB ARG 59 -3.981 6.510 7.738 427 HG2 ARG 59 2HG ARG 59 -3.507 9.026 7.757 428 HG3 ARG 59 3HG ARG 59 -5.178 9.215 8.286 429 HD2 ARG 59 2HD ARG 59 -3.551 9.163 10.163 430 HD3 ARG 59 3HD ARG 59 -4.757 7.880 10.254 431 HE ARG 59 HE ARG 59 -3.072 6.359 10.101 432 HH11 ARG 59 1HH1 ARG 59 -1.852 9.375 8.934 433 HH12 ARG 59 2HH1 ARG 59 -0.259 8.751 8.688 434 HH21 ARG 59 1HH2 ARG 59 -1.033 5.593 9.808 435 HH22 ARG 59 2HH2 ARG 59 0.203 6.632 9.187 436 H ASP 60 H ASP 60 -2.351 6.665 6.016 437 HA ASP 60 HA ASP 60 -1.126 9.237 5.754 438 HB2 ASP 60 2HB ASP 60 -0.298 6.987 6.906 439 HB3 ASP 60 3HB ASP 60 0.449 6.729 5.332 440 H LEU 61 H LEU 61 -1.707 6.538 3.534 441 HA LEU 61 HA LEU 61 -0.165 7.468 1.363 442 HB2 LEU 61 2HB LEU 61 -2.678 5.788 1.358 443 HB3 LEU 61 3HB LEU 61 -1.665 6.054 -0.047 444 HG LEU 61 HG LEU 61 -0.888 4.584 2.477 445 HD11 LEU 61 1HD1 LEU 61 -2.333 3.298 1.008 446 HD12 LEU 61 2HD1 LEU 61 -0.691 2.654 0.970 447 HD13 LEU 61 3HD1 LEU 61 -1.281 3.646 -0.365 448 HD21 LEU 61 3HD2 LEU 61 1.033 5.819 1.694 449 HD22 LEU 61 1HD2 LEU 61 0.764 5.260 0.041 450 HD23 LEU 61 2HD2 LEU 61 1.238 4.114 1.295 451 H ASN 62 H ASN 62 -3.629 7.949 2.068 452 HA ASN 62 HA ASN 62 -4.196 9.596 -0.147 453 HB2 ASN 62 2HB ASN 62 -5.507 9.332 2.560 454 HB3 ASN 62 3HB ASN 62 -6.127 10.417 1.319 455 HD21 ASN 62 1HD2 ASN 62 -7.139 7.870 2.586 456 HD22 ASN 62 2HD2 ASN 62 -7.568 6.874 1.242 457 H ALA 63 H ALA 63 -2.767 10.323 2.966 458 HA ALA 63 HA ALA 63 -2.886 13.139 2.853 459 HB1 ALA 63 3HB ALA 63 -2.298 11.904 4.887 460 HB2 ALA 63 1HB ALA 63 -1.071 13.106 4.485 461 HB3 ALA 63 2HB ALA 63 -0.780 11.400 4.143 462 H LEU 64 H LEU 64 -0.742 10.813 1.318 463 HA LEU 64 HA LEU 64 1.209 12.644 0.344 464 HB2 LEU 64 2HB LEU 64 0.306 10.010 -0.845 465 HB3 LEU 64 3HB LEU 64 1.765 10.874 -1.285 466 HG LEU 64 HG LEU 64 1.219 9.702 1.448 467 HD11 LEU 64 1HD1 LEU 64 2.894 8.019 0.829 468 HD12 LEU 64 2HD1 LEU 64 2.973 8.697 -0.798 469 HD13 LEU 64 3HD1 LEU 64 1.480 7.952 -0.224 470 HD21 LEU 64 3HD2 LEU 64 3.715 10.943 0.278 471 HD22 LEU 64 1HD2 LEU 64 3.595 10.163 1.857 472 HD23 LEU 64 2HD2 LEU 64 2.694 11.643 1.535 473 H ALA 65 H ALA 65 -2.010 11.816 -0.697 474 HA ALA 65 HA ALA 65 -1.765 12.969 -3.331 475 HB1 ALA 65 3HB ALA 65 -4.251 12.202 -1.794 476 HB2 ALA 65 1HB ALA 65 -3.345 11.142 -2.874 477 HB3 ALA 65 2HB ALA 65 -4.161 12.568 -3.518 478 H LEU 66 H LEU 66 -3.083 13.996 -0.207 479 HA LEU 66 HA LEU 66 -4.115 16.490 -1.123 480 HB2 LEU 66 2HB LEU 66 -3.335 15.618 1.663 481 HB3 LEU 66 3HB LEU 66 -4.269 17.052 1.278 482 HG LEU 66 HG LEU 66 -5.141 14.198 0.776 483 HD11 LEU 66 1HD1 LEU 66 -6.103 16.210 2.809 484 HD12 LEU 66 2HD1 LEU 66 -5.136 14.774 3.147 485 HD13 LEU 66 3HD1 LEU 66 -6.781 14.604 2.536 486 HD21 LEU 66 3HD2 LEU 66 -6.036 15.706 -0.917 487 HD22 LEU 66 1HD2 LEU 66 -6.616 16.800 0.339 488 HD23 LEU 66 2HD2 LEU 66 -7.311 15.187 0.183 489 H GLU 67 H GLU 67 -1.123 15.634 0.629 490 HA GLU 67 HA GLU 67 0.950 16.567 0.655 491 HB2 GLU 67 2HB GLU 67 -0.042 18.263 -1.647 492 HB3 GLU 67 3HB GLU 67 1.636 18.079 -1.155 493 HG2 GLU 67 2HG GLU 67 1.569 15.720 -1.733 494 HG3 GLU 67 3HG GLU 67 -0.134 15.861 -2.171 495 H HIS 68 H HIS 68 -1.711 18.223 1.621 496 HA HIS 68 HA HIS 68 -0.577 20.862 1.920 497 HB2 HIS 68 2HB HIS 68 -3.100 19.644 3.069 498 HB3 HIS 68 3HB HIS 68 -2.642 21.334 3.249 499 HD1 HIS 68 HD1 HIS 68 -2.505 22.735 0.955 500 HD2 HIS 68 HD2 HIS 68 -4.424 19.057 0.721 501 HE1 HIS 68 HE1 HIS 68 -3.835 22.806 -1.164 502 HE2 HIS 68 HE2 HIS 68 -4.833 20.510 -1.379 503 H HIS 69 H HIS 69 -0.803 17.990 3.890 504 HA HIS 69 HA HIS 69 -0.105 19.240 6.367 505 HB2 HIS 69 2HB HIS 69 0.100 17.004 7.250 506 HB3 HIS 69 3HB HIS 69 -1.301 17.053 6.186 507 HD1 HIS 69 HD1 HIS 69 1.259 14.850 7.002 508 HD2 HIS 69 HD2 HIS 69 -0.255 16.165 3.369 509 HE1 HIS 69 HE1 HIS 69 1.958 13.127 5.324 510 HE2 HIS 69 HE2 HIS 69 1.238 14.068 3.110 511 H HIS 70 H HIS 70 1.844 20.020 6.934 512 HA HIS 70 HA HIS 70 4.251 19.054 5.527 513 HB2 HIS 70 2HB HIS 70 3.835 21.510 7.257 514 HB3 HIS 70 3HB HIS 70 5.358 21.067 6.491 515 HD1 HIS 70 HD1 HIS 70 2.226 22.864 5.896 516 HD2 HIS 70 HD2 HIS 70 5.240 21.164 3.587 517 HE1 HIS 70 HE1 HIS 70 1.965 23.855 3.603 518 HE2 HIS 70 HE2 HIS 70 3.871 22.914 2.266 519 H HIS 71 H HIS 71 5.697 17.771 6.527 520 HA HIS 71 HA HIS 71 5.136 16.812 9.176 521 HB2 HIS 71 2HB HIS 71 6.989 15.279 8.831 522 HB3 HIS 71 3HB HIS 71 5.979 15.327 7.392 523 HD1 HIS 71 HD1 HIS 71 7.124 15.879 5.219 524 HD2 HIS 71 HD2 HIS 71 9.509 16.699 8.522 525 HE1 HIS 71 HE1 HIS 71 9.389 16.434 4.296 526 HE2 HIS 71 HE2 HIS 71 10.764 17.077 6.299 527 H HIS 72 H HIS 72 6.902 19.450 8.048 528 HA HIS 72 HA HIS 72 8.166 19.768 10.682 529 HB2 HIS 72 2HB HIS 72 9.933 18.950 9.216 530 HB3 HIS 72 3HB HIS 72 9.554 20.181 8.020 531 HD1 HIS 72 HD1 HIS 72 10.663 22.419 8.273 532 HD2 HIS 72 HD2 HIS 72 11.190 19.977 11.596 533 HE1 HIS 72 HE1 HIS 72 12.317 23.615 9.732 534 HE2 HIS 72 HE2 HIS 72 12.754 22.038 11.638 535 H HIS 73 H HIS 73 7.837 21.721 11.549 536 HA HIS 73 HA HIS 73 6.409 23.742 10.030 537 HB2 HIS 73 2HB HIS 73 5.641 23.201 12.285 538 HB3 HIS 73 3HB HIS 73 7.210 23.649 12.950 539 HD1 HIS 73 HD1 HIS 73 7.716 26.159 13.197 540 HD2 HIS 73 HD2 HIS 73 3.972 25.362 11.587 541 HE1 HIS 73 HE1 HIS 73 6.481 28.339 13.261 542 HE2 HIS 73 HE2 HIS 73 4.297 27.869 12.113 Start of MODEL 2 1 H1 MET 1 1H MET 1 -13.288 13.083 -3.842 2 H2 MET 1 2H MET 1 -14.571 14.155 -3.601 3 H3 MET 1 3H MET 1 -14.839 12.689 -4.391 4 HA MET 1 HA MET 1 -14.089 13.055 -1.548 5 HB2 MET 1 2HB MET 1 -16.628 11.977 -2.803 6 HB3 MET 1 3HB MET 1 -16.307 12.098 -1.077 7 HG2 MET 1 2HG MET 1 -17.762 13.892 -1.873 8 HG3 MET 1 3HG MET 1 -16.244 14.514 -1.229 9 HE1 MET 1 3HE MET 1 -18.331 16.146 -3.144 10 HE2 MET 1 1HE MET 1 -17.157 17.022 -4.125 11 HE3 MET 1 2HE MET 1 -16.890 16.832 -2.393 12 H THR 2 H THR 2 -14.747 10.748 -4.176 13 HA THR 2 HA THR 2 -14.281 8.375 -2.730 14 HB THR 2 HB THR 2 -13.739 8.825 -5.680 15 HG1 THR 2 HG1 THR 2 -16.166 7.910 -4.490 16 HG21 THR 2 3HG2 THR 2 -14.246 6.431 -5.888 17 HG22 THR 2 1HG2 THR 2 -14.463 6.320 -4.141 18 HG23 THR 2 2HG2 THR 2 -12.876 6.695 -4.811 19 H GLN 3 H GLN 3 -12.446 7.757 -1.754 20 HA GLN 3 HA GLN 3 -9.942 9.023 -2.159 21 HB2 GLN 3 2HB GLN 3 -10.635 6.441 -0.737 22 HB3 GLN 3 3HB GLN 3 -9.056 7.215 -0.668 23 HG2 GLN 3 2HG GLN 3 -10.050 9.175 0.396 24 HG3 GLN 3 3HG GLN 3 -11.644 8.432 0.292 25 HE21 GLN 3 1HE2 GLN 3 -8.762 6.610 1.081 26 HE22 GLN 3 2HE2 GLN 3 -9.190 6.289 2.722 27 H LYS 4 H LYS 4 -8.558 8.741 -3.801 28 HA LYS 4 HA LYS 4 -8.653 6.656 -5.692 29 HB2 LYS 4 2HB LYS 4 -6.323 8.453 -4.961 30 HB3 LYS 4 3HB LYS 4 -6.399 7.433 -6.391 31 HG2 LYS 4 2HG LYS 4 -8.378 8.710 -7.157 32 HG3 LYS 4 3HG LYS 4 -8.198 9.770 -5.758 33 HD2 LYS 4 2HD LYS 4 -7.195 10.811 -7.708 34 HD3 LYS 4 3HD LYS 4 -5.933 10.386 -6.551 35 HE2 LYS 4 2HE LYS 4 -5.243 9.839 -8.822 36 HE3 LYS 4 3HE LYS 4 -5.415 8.374 -7.859 37 HZ1 LYS 4 3HZ LYS 4 -6.366 8.212 -10.119 38 HZ2 LYS 4 1HZ LYS 4 -7.498 9.401 -9.710 39 HZ3 LYS 4 2HZ LYS 4 -7.500 7.918 -8.902 40 H PHE 5 H PHE 5 -6.376 7.176 -2.994 41 HA PHE 5 HA PHE 5 -5.272 4.526 -3.209 42 HB2 PHE 5 2HB PHE 5 -4.993 6.600 -1.014 43 HB3 PHE 5 3HB PHE 5 -4.070 5.102 -1.118 44 HD1 PHE 5 HD1 PHE 5 -2.584 4.748 -3.159 45 HD2 PHE 5 HD2 PHE 5 -4.254 8.531 -2.121 46 HE1 PHE 5 HE1 PHE 5 -0.890 5.875 -4.542 47 HE2 PHE 5 HE2 PHE 5 -2.560 9.659 -3.503 48 HZ PHE 5 HZ PHE 5 -0.877 8.332 -4.715 49 H THR 6 H THR 6 -6.952 3.086 -2.984 50 HA THR 6 HA THR 6 -8.246 3.000 -0.323 51 HB THR 6 HB THR 6 -9.960 3.568 -1.919 52 HG1 THR 6 HG1 THR 6 -11.333 2.047 -1.245 53 HG21 THR 6 3HG2 THR 6 -9.099 1.118 -3.475 54 HG22 THR 6 1HG2 THR 6 -8.848 2.793 -3.969 55 HG23 THR 6 2HG2 THR 6 -10.483 2.144 -3.847 56 H LYS 7 H LYS 7 -8.828 0.907 0.467 57 HA LYS 7 HA LYS 7 -6.780 -0.969 0.429 58 HB2 LYS 7 2HB LYS 7 -8.431 -2.483 1.530 59 HB3 LYS 7 3HB LYS 7 -8.350 -0.876 2.243 60 HG2 LYS 7 2HG LYS 7 -10.391 -0.224 1.139 61 HG3 LYS 7 3HG LYS 7 -10.442 -1.746 0.249 62 HD2 LYS 7 2HD LYS 7 -11.992 -1.760 2.148 63 HD3 LYS 7 3HD LYS 7 -10.731 -2.979 2.331 64 HE2 LYS 7 2HE LYS 7 -9.497 -1.382 3.806 65 HE3 LYS 7 3HE LYS 7 -10.880 -0.292 3.708 66 HZ1 LYS 7 3HZ LYS 7 -12.257 -1.996 4.706 67 HZ2 LYS 7 1HZ LYS 7 -10.936 -1.649 5.708 68 HZ3 LYS 7 2HZ LYS 7 -10.944 -3.062 4.775 69 H ASP 8 H ASP 8 -9.428 -0.615 -1.773 70 HA ASP 8 HA ASP 8 -9.466 -3.354 -2.660 71 HB2 ASP 8 2HB ASP 8 -11.492 -1.939 -2.565 72 HB3 ASP 8 3HB ASP 8 -10.818 -0.908 -3.825 73 H MET 9 H MET 9 -7.564 -0.619 -3.493 74 HA MET 9 HA MET 9 -7.038 -1.542 -6.216 75 HB2 MET 9 2HB MET 9 -5.728 0.425 -6.513 76 HB3 MET 9 3HB MET 9 -7.160 0.913 -5.621 77 HG2 MET 9 2HG MET 9 -5.796 0.775 -3.526 78 HG3 MET 9 3HG MET 9 -4.381 0.508 -4.536 79 HE1 MET 9 3HE MET 9 -5.121 2.442 -7.042 80 HE2 MET 9 1HE MET 9 -3.513 2.284 -6.336 81 HE3 MET 9 2HE MET 9 -4.225 3.880 -6.558 82 H THR 10 H THR 10 -4.797 -1.981 -6.943 83 HA THR 10 HA THR 10 -3.478 -3.755 -5.053 84 HB THR 10 HB THR 10 -2.131 -4.529 -6.903 85 HG1 THR 10 HG1 THR 10 -2.590 -3.482 -9.034 86 HG21 THR 10 3HG2 THR 10 -4.396 -5.434 -6.789 87 HG22 THR 10 1HG2 THR 10 -3.884 -5.273 -8.471 88 HG23 THR 10 2HG2 THR 10 -4.997 -4.097 -7.771 89 H PHE 11 H PHE 11 -1.184 -3.731 -4.648 90 HA PHE 11 HA PHE 11 -0.048 -1.303 -3.903 91 HB2 PHE 11 2HB PHE 11 1.305 -3.915 -4.619 92 HB3 PHE 11 3HB PHE 11 2.138 -2.555 -3.871 93 HD1 PHE 11 HD1 PHE 11 1.720 -1.952 -1.561 94 HD2 PHE 11 HD2 PHE 11 -0.275 -5.264 -3.352 95 HE1 PHE 11 HE1 PHE 11 1.053 -2.755 0.664 96 HE2 PHE 11 HE2 PHE 11 -0.941 -6.070 -1.125 97 HZ PHE 11 HZ PHE 11 -0.277 -4.813 0.888 98 H ALA 12 H ALA 12 0.424 -3.119 -6.916 99 HA ALA 12 HA ALA 12 2.413 -1.576 -8.097 100 HB1 ALA 12 3HB ALA 12 1.627 -3.733 -8.980 101 HB2 ALA 12 1HB ALA 12 1.669 -2.485 -10.227 102 HB3 ALA 12 2HB ALA 12 0.130 -2.965 -9.507 103 H GLN 13 H GLN 13 -1.131 -1.177 -8.382 104 HA GLN 13 HA GLN 13 -1.161 1.049 -10.070 105 HB2 GLN 13 2HB GLN 13 -3.087 0.362 -7.837 106 HB3 GLN 13 3HB GLN 13 -3.395 1.536 -9.109 107 HG2 GLN 13 2HG GLN 13 -3.277 -0.233 -10.786 108 HG3 GLN 13 3HG GLN 13 -2.938 -1.413 -9.522 109 HE21 GLN 13 1HE2 GLN 13 -5.209 1.237 -9.193 110 HE22 GLN 13 2HE2 GLN 13 -6.627 0.251 -9.135 111 H ALA 14 H ALA 14 -1.142 0.973 -6.505 112 HA ALA 14 HA ALA 14 -1.137 3.734 -6.050 113 HB1 ALA 14 3HB ALA 14 -1.521 2.047 -4.301 114 HB2 ALA 14 1HB ALA 14 -0.284 3.213 -3.834 115 HB3 ALA 14 2HB ALA 14 0.184 1.598 -4.370 116 H LEU 15 H LEU 15 1.596 1.501 -6.490 117 HA LEU 15 HA LEU 15 3.675 3.370 -6.155 118 HB2 LEU 15 2HB LEU 15 3.610 0.826 -7.781 119 HB3 LEU 15 3HB LEU 15 5.068 1.727 -7.411 120 HG LEU 15 HG LEU 15 3.267 0.405 -5.368 121 HD11 LEU 15 1HD1 LEU 15 5.998 -0.396 -6.384 122 HD12 LEU 15 2HD1 LEU 15 4.477 -1.232 -6.706 123 HD13 LEU 15 3HD1 LEU 15 5.117 -1.170 -5.064 124 HD21 LEU 15 3HD2 LEU 15 5.912 1.831 -5.035 125 HD22 LEU 15 1HD2 LEU 15 5.056 0.947 -3.773 126 HD23 LEU 15 2HD2 LEU 15 4.340 2.397 -4.471 127 H GLN 16 H GLN 16 1.660 2.665 -8.939 128 HA GLN 16 HA GLN 16 3.291 4.237 -10.752 129 HB2 GLN 16 2HB GLN 16 0.463 3.225 -11.154 130 HB3 GLN 16 3HB GLN 16 1.531 3.856 -12.400 131 HG2 GLN 16 2HG GLN 16 1.733 1.255 -10.910 132 HG3 GLN 16 3HG GLN 16 1.541 1.515 -12.639 133 HE21 GLN 16 1HE2 GLN 16 3.764 1.413 -9.997 134 HE22 GLN 16 2HE2 GLN 16 5.210 1.514 -10.931 135 H THR 17 H THR 17 0.484 4.735 -8.717 136 HA THR 17 HA THR 17 -0.417 7.167 -9.876 137 HB THR 17 HB THR 17 -0.812 6.174 -7.037 138 HG1 THR 17 HG1 THR 17 -1.653 4.809 -8.776 139 HG21 THR 17 3HG2 THR 17 -2.763 7.673 -7.005 140 HG22 THR 17 1HG2 THR 17 -2.322 8.281 -8.603 141 HG23 THR 17 2HG2 THR 17 -1.262 8.576 -7.223 142 H HIS 18 H HIS 18 1.401 6.655 -6.816 143 HA HIS 18 HA HIS 18 2.849 9.160 -7.342 144 HB2 HIS 18 2HB HIS 18 1.375 8.486 -4.791 145 HB3 HIS 18 3HB HIS 18 2.661 9.686 -4.847 146 HD1 HIS 18 HD1 HIS 18 1.535 10.672 -7.798 147 HD2 HIS 18 HD2 HIS 18 -0.452 10.541 -4.155 148 HE1 HIS 18 HE1 HIS 18 -0.324 12.342 -7.990 149 HE2 HIS 18 HE2 HIS 18 -1.621 12.105 -5.848 150 HA PRO 19 HA PRO 19 6.341 6.547 -6.416 151 HB2 PRO 19 2HB PRO 19 7.731 9.109 -5.833 152 HB3 PRO 19 3HB PRO 19 8.136 7.850 -7.003 153 HG2 PRO 19 2HG PRO 19 7.118 10.187 -7.800 154 HG3 PRO 19 3HG PRO 19 6.659 8.669 -8.597 155 HD2 PRO 19 2HD PRO 19 5.140 10.284 -6.573 156 HD3 PRO 19 3HD PRO 19 4.548 9.462 -8.033 157 H GLY 20 H GLY 20 5.427 9.185 -4.234 158 HA2 GLY 20 2HA GLY 20 6.987 8.557 -2.008 159 HA3 GLY 20 3HA GLY 20 5.429 9.364 -1.945 160 H VAL 21 H VAL 21 4.148 6.935 -3.216 161 HA VAL 21 HA VAL 21 3.214 5.654 -0.922 162 HB VAL 21 HB VAL 21 3.287 4.580 -3.755 163 HG11 VAL 21 1HG1 VAL 21 1.602 3.700 -1.402 164 HG12 VAL 21 2HG1 VAL 21 2.907 2.779 -2.146 165 HG13 VAL 21 3HG1 VAL 21 1.440 3.118 -3.058 166 HG21 VAL 21 3HG2 VAL 21 1.123 6.076 -2.263 167 HG22 VAL 21 1HG2 VAL 21 0.987 5.421 -3.896 168 HG23 VAL 21 2HG2 VAL 21 2.127 6.726 -3.561 169 H ALA 22 H ALA 22 5.911 4.788 -3.051 170 HA ALA 22 HA ALA 22 6.513 2.248 -2.065 171 HB1 ALA 22 3HB ALA 22 7.570 3.213 -4.056 172 HB2 ALA 22 1HB ALA 22 8.775 2.613 -2.914 173 HB3 ALA 22 2HB ALA 22 8.460 4.346 -3.038 174 H GLY 23 H GLY 23 7.531 5.429 -0.863 175 HA2 GLY 23 2HA GLY 23 9.198 4.491 1.229 176 HA3 GLY 23 3HA GLY 23 8.474 6.087 1.127 177 H VAL 24 H VAL 24 5.775 5.473 1.199 178 HA VAL 24 HA VAL 24 5.244 5.122 3.929 179 HB VAL 24 HB VAL 24 3.361 4.761 1.580 180 HG11 VAL 24 1HG1 VAL 24 2.447 3.703 3.578 181 HG12 VAL 24 2HG1 VAL 24 1.561 5.184 3.213 182 HG13 VAL 24 3HG1 VAL 24 2.752 5.166 4.515 183 HG21 VAL 24 3HG2 VAL 24 4.389 6.976 1.656 184 HG22 VAL 24 1HG2 VAL 24 3.901 7.158 3.342 185 HG23 VAL 24 2HG2 VAL 24 2.678 7.066 2.074 186 H LEU 25 H LEU 25 4.810 2.820 1.233 187 HA LEU 25 HA LEU 25 3.867 0.637 2.679 188 HB2 LEU 25 2HB LEU 25 5.656 0.639 0.236 189 HB3 LEU 25 3HB LEU 25 4.794 -0.764 0.841 190 HG LEU 25 HG LEU 25 3.527 1.762 -0.235 191 HD11 LEU 25 1HD1 LEU 25 3.651 -1.020 -1.395 192 HD12 LEU 25 2HD1 LEU 25 4.540 0.389 -1.976 193 HD13 LEU 25 3HD1 LEU 25 2.780 0.354 -2.079 194 HD21 LEU 25 3HD2 LEU 25 2.237 -0.781 0.761 195 HD22 LEU 25 1HD2 LEU 25 1.401 0.557 -0.029 196 HD23 LEU 25 2HD2 LEU 25 2.166 0.799 1.541 197 H ARG 26 H ARG 26 7.271 1.363 1.820 198 HA ARG 26 HA ARG 26 8.478 -0.712 3.257 199 HB2 ARG 26 2HB ARG 26 9.498 2.076 2.663 200 HB3 ARG 26 3HB ARG 26 10.500 0.775 3.296 201 HG2 ARG 26 2HG ARG 26 10.179 -0.525 1.296 202 HG3 ARG 26 3HG ARG 26 9.008 0.642 0.678 203 HD2 ARG 26 2HD ARG 26 11.201 0.909 -0.386 204 HD3 ARG 26 3HD ARG 26 10.739 2.342 0.530 205 HE ARG 26 HE ARG 26 12.351 0.549 2.065 206 HH11 ARG 26 1HH1 ARG 26 12.474 3.037 -0.323 207 HH12 ARG 26 2HH1 ARG 26 14.093 3.490 0.070 208 HH21 ARG 26 1HH2 ARG 26 14.426 1.156 2.568 209 HH22 ARG 26 2HH2 ARG 26 15.185 2.441 1.691 210 H SER 27 H SER 27 7.473 2.504 4.342 211 HA SER 27 HA SER 27 8.543 2.449 6.942 212 HB2 SER 27 2HB SER 27 7.719 4.519 5.974 213 HB3 SER 27 3HB SER 27 6.082 3.872 5.892 214 HG SER 27 HG SER 27 5.928 4.846 7.762 215 H TYR 28 H TYR 28 5.482 1.188 5.694 216 HA TYR 28 HA TYR 28 4.609 0.342 8.344 217 HB2 TYR 28 2HB TYR 28 3.378 0.225 5.599 218 HB3 TYR 28 3HB TYR 28 2.696 -0.703 6.928 219 HD1 TYR 28 HD1 TYR 28 3.550 2.766 5.868 220 HD2 TYR 28 HD2 TYR 28 1.256 0.308 8.485 221 HE1 TYR 28 HE1 TYR 28 2.283 4.737 6.605 222 HE2 TYR 28 HE2 TYR 28 -0.014 2.277 9.226 223 HH TYR 28 HH TYR 28 -0.057 4.543 9.230 224 H ASN 29 H ASN 29 6.903 -0.863 6.445 225 HA ASN 29 HA ASN 29 7.923 -2.880 6.188 226 HB2 ASN 29 2HB ASN 29 7.252 -3.186 8.612 227 HB3 ASN 29 3HB ASN 29 5.836 -4.060 8.037 228 HD21 ASN 29 1HD2 ASN 29 8.051 -4.975 9.684 229 HD22 ASN 29 2HD2 ASN 29 8.731 -6.330 8.857 230 H LEU 30 H LEU 30 6.391 -2.149 4.182 231 HA LEU 30 HA LEU 30 5.216 -4.686 3.225 232 HB2 LEU 30 2HB LEU 30 4.347 -1.858 2.609 233 HB3 LEU 30 3HB LEU 30 3.790 -3.259 1.715 234 HG LEU 30 HG LEU 30 3.335 -2.845 4.678 235 HD11 LEU 30 1HD1 LEU 30 1.014 -2.343 4.075 236 HD12 LEU 30 2HD1 LEU 30 1.440 -2.423 2.366 237 HD13 LEU 30 3HD1 LEU 30 2.129 -1.161 3.387 238 HD21 LEU 30 3HD2 LEU 30 3.353 -5.190 4.043 239 HD22 LEU 30 1HD2 LEU 30 2.217 -4.868 2.730 240 HD23 LEU 30 2HD2 LEU 30 1.708 -4.672 4.409 241 H GLY 31 H GLY 31 7.951 -3.214 3.048 242 HA2 GLY 31 2HA GLY 31 8.357 -2.539 0.312 243 HA3 GLY 31 3HA GLY 31 9.615 -2.899 1.481 244 H CYS 32 H CYS 32 8.179 -5.569 1.934 245 HA CYS 32 HA CYS 32 9.723 -7.067 -0.000 246 HB2 CYS 32 2HB CYS 32 9.610 -7.741 2.379 247 HB3 CYS 32 3HB CYS 32 7.886 -8.046 2.204 248 HG CYS 32 HG CYS 32 8.165 -10.507 1.573 249 H ILE 33 H ILE 33 6.898 -5.599 -0.456 250 HA ILE 33 HA ILE 33 5.035 -7.479 -1.300 251 HB ILE 33 HB ILE 33 4.252 -5.689 -2.944 252 HG12 ILE 33 2HG1 ILE 33 6.458 -4.123 -1.568 253 HG13 ILE 33 3HG1 ILE 33 6.412 -4.566 -3.270 254 HG21 ILE 33 1HG2 ILE 33 4.526 -5.003 -0.017 255 HG22 ILE 33 2HG2 ILE 33 3.253 -5.971 -0.758 256 HG23 ILE 33 3HG2 ILE 33 3.387 -4.255 -1.137 257 HD11 ILE 33 3HD1 ILE 33 5.809 -2.244 -2.954 258 HD12 ILE 33 1HD1 ILE 33 4.499 -2.711 -1.869 259 HD13 ILE 33 2HD1 ILE 33 4.434 -3.159 -3.574 260 H GLY 34 H GLY 34 7.904 -6.348 -3.016 261 HA2 GLY 34 2HA GLY 34 7.254 -7.546 -5.528 262 HA3 GLY 34 3HA GLY 34 8.858 -7.059 -4.995 263 H CYS 35 H CYS 35 9.032 -8.682 -2.680 264 HA CYS 35 HA CYS 35 9.932 -11.123 -3.832 265 HB2 CYS 35 2HB CYS 35 9.551 -10.419 -0.912 266 HB3 CYS 35 3HB CYS 35 10.476 -11.787 -1.525 267 HG CYS 35 HG CYS 35 12.507 -10.334 -2.610 268 H MET 36 H MET 36 7.087 -10.292 -1.874 269 HA MET 36 HA MET 36 6.125 -13.039 -1.933 270 HB2 MET 36 2HB MET 36 4.212 -12.192 -0.639 271 HB3 MET 36 3HB MET 36 5.745 -11.737 0.088 272 HG2 MET 36 2HG MET 36 5.522 -9.491 -0.843 273 HG3 MET 36 3HG MET 36 3.992 -9.947 -1.587 274 HE1 MET 36 3HE MET 36 1.704 -10.556 1.529 275 HE2 MET 36 1HE MET 36 2.663 -11.768 0.680 276 HE3 MET 36 2HE MET 36 1.795 -10.532 -0.229 277 H GLY 37 H GLY 37 6.194 -10.775 -4.256 278 HA2 GLY 37 2HA GLY 37 5.082 -10.514 -6.250 279 HA3 GLY 37 3HA GLY 37 4.316 -12.054 -5.913 280 H ALA 38 H ALA 38 3.940 -9.235 -3.841 281 HA ALA 38 HA ALA 38 1.068 -9.434 -4.057 282 HB1 ALA 38 3HB ALA 38 2.155 -9.053 -1.896 283 HB2 ALA 38 1HB ALA 38 1.017 -7.763 -2.288 284 HB3 ALA 38 2HB ALA 38 2.751 -7.494 -2.470 285 H GLN 39 H GLN 39 2.995 -8.142 -6.250 286 HA GLN 39 HA GLN 39 2.104 -5.455 -6.534 287 HB2 GLN 39 2HB GLN 39 3.098 -7.338 -8.693 288 HB3 GLN 39 3HB GLN 39 2.986 -5.588 -8.821 289 HG2 GLN 39 2HG GLN 39 4.805 -7.157 -7.000 290 HG3 GLN 39 3HG GLN 39 5.270 -6.234 -8.427 291 HE21 GLN 39 1HE2 GLN 39 4.303 -6.061 -5.099 292 HE22 GLN 39 2HE2 GLN 39 4.683 -4.394 -4.869 293 H ASN 40 H ASN 40 0.784 -8.532 -7.516 294 HA ASN 40 HA ASN 40 -1.427 -7.246 -8.967 295 HB2 ASN 40 2HB ASN 40 -0.715 -10.176 -8.648 296 HB3 ASN 40 3HB ASN 40 -2.015 -9.546 -9.656 297 HD21 ASN 40 1HD2 ASN 40 0.379 -11.105 -10.340 298 HD22 ASN 40 2HD2 ASN 40 1.194 -10.181 -11.550 299 H GLU 41 H GLU 41 -1.012 -7.281 -5.950 300 HA GLU 41 HA GLU 41 -3.594 -8.510 -5.204 301 HB2 GLU 41 2HB GLU 41 -1.605 -9.748 -4.341 302 HB3 GLU 41 3HB GLU 41 -1.118 -8.302 -3.470 303 HG2 GLU 41 2HG GLU 41 -3.052 -8.409 -2.069 304 HG3 GLU 41 3HG GLU 41 -3.746 -9.708 -3.038 305 H SER 42 H SER 42 -4.794 -7.421 -3.519 306 HA SER 42 HA SER 42 -4.650 -4.565 -3.843 307 HB2 SER 42 2HB SER 42 -6.737 -4.464 -2.635 308 HB3 SER 42 3HB SER 42 -6.820 -5.819 -3.758 309 HG SER 42 HG SER 42 -7.475 -6.051 -1.377 310 H LEU 43 H LEU 43 -4.615 -3.010 -2.139 311 HA LEU 43 HA LEU 43 -2.459 -3.186 -0.412 312 HB2 LEU 43 2HB LEU 43 -4.910 -1.431 -0.175 313 HB3 LEU 43 3HB LEU 43 -3.423 -1.189 0.725 314 HG LEU 43 HG LEU 43 -3.654 -1.064 -2.290 315 HD11 LEU 43 1HD1 LEU 43 -3.340 1.354 -2.009 316 HD12 LEU 43 2HD1 LEU 43 -3.422 1.158 -0.258 317 HD13 LEU 43 3HD1 LEU 43 -4.831 0.792 -1.253 318 HD21 LEU 43 3HD2 LEU 43 -1.384 -0.130 -2.187 319 HD22 LEU 43 1HD2 LEU 43 -1.444 -1.776 -1.558 320 HD23 LEU 43 2HD2 LEU 43 -1.351 -0.411 -0.446 321 H GLU 44 H GLU 44 -5.883 -3.817 0.314 322 HA GLU 44 HA GLU 44 -5.563 -4.124 3.105 323 HB2 GLU 44 2HB GLU 44 -7.748 -3.729 2.092 324 HB3 GLU 44 3HB GLU 44 -7.677 -5.287 1.280 325 HG2 GLU 44 2HG GLU 44 -7.730 -6.434 3.422 326 HG3 GLU 44 3HG GLU 44 -7.713 -4.891 4.271 327 H GLN 45 H GLN 45 -5.641 -6.568 0.498 328 HA GLN 45 HA GLN 45 -5.428 -8.830 2.146 329 HB2 GLN 45 2HB GLN 45 -4.463 -8.441 -0.693 330 HB3 GLN 45 3HB GLN 45 -4.600 -9.998 0.115 331 HG2 GLN 45 2HG GLN 45 -7.007 -9.692 0.329 332 HG3 GLN 45 3HG GLN 45 -6.883 -8.106 -0.432 333 HE21 GLN 45 1HE2 GLN 45 -8.228 -8.668 -2.122 334 HE22 GLN 45 2HE2 GLN 45 -7.761 -9.762 -3.372 335 H GLY 46 H GLY 46 -2.861 -6.954 0.528 336 HA2 GLY 46 2HA GLY 46 -0.673 -8.444 1.488 337 HA3 GLY 46 3HA GLY 46 -0.614 -6.766 0.976 338 H ALA 47 H ALA 47 -2.205 -5.522 2.847 339 HA ALA 47 HA ALA 47 -0.559 -5.208 5.092 340 HB1 ALA 47 3HB ALA 47 -2.419 -3.936 6.065 341 HB2 ALA 47 1HB ALA 47 -3.501 -4.567 4.823 342 HB3 ALA 47 2HB ALA 47 -2.160 -3.512 4.373 343 H ASN 48 H ASN 48 -3.682 -6.911 4.854 344 HA ASN 48 HA ASN 48 -3.811 -7.941 7.432 345 HB2 ASN 48 2HB ASN 48 -4.885 -9.030 4.826 346 HB3 ASN 48 3HB ASN 48 -5.259 -9.750 6.391 347 HD21 ASN 48 1HD2 ASN 48 -6.973 -8.387 4.392 348 HD22 ASN 48 2HD2 ASN 48 -7.773 -7.140 5.276 349 H ALA 49 H ALA 49 -2.025 -9.176 4.645 350 HA ALA 49 HA ALA 49 -1.269 -11.663 5.804 351 HB1 ALA 49 3HB ALA 49 -1.132 -11.252 3.397 352 HB2 ALA 49 1HB ALA 49 0.429 -11.755 4.044 353 HB3 ALA 49 2HB ALA 49 0.137 -10.057 3.666 354 H HIS 50 H HIS 50 0.149 -8.432 5.885 355 HA HIS 50 HA HIS 50 2.437 -9.350 7.459 356 HB2 HIS 50 2HB HIS 50 1.671 -6.620 6.393 357 HB3 HIS 50 3HB HIS 50 3.100 -6.919 7.376 358 HD1 HIS 50 HD1 HIS 50 4.973 -6.620 5.757 359 HD2 HIS 50 HD2 HIS 50 1.948 -9.019 4.207 360 HE1 HIS 50 HE1 HIS 50 5.838 -7.460 3.556 361 HE2 HIS 50 HE2 HIS 50 4.059 -9.024 2.712 362 H GLY 51 H GLY 51 -0.652 -8.851 8.225 363 HA2 GLY 51 2HA GLY 51 -1.752 -8.540 10.216 364 HA3 GLY 51 3HA GLY 51 -0.185 -8.596 11.004 365 H LEU 52 H LEU 52 -1.190 -6.232 8.588 366 HA LEU 52 HA LEU 52 -0.690 -4.090 10.545 367 HB2 LEU 52 2HB LEU 52 -0.843 -3.953 7.531 368 HB3 LEU 52 3HB LEU 52 -0.385 -2.639 8.601 369 HG LEU 52 HG LEU 52 1.171 -5.207 8.226 370 HD11 LEU 52 1HD1 LEU 52 2.794 -3.806 7.053 371 HD12 LEU 52 2HD1 LEU 52 1.725 -2.415 7.224 372 HD13 LEU 52 3HD1 LEU 52 1.229 -3.792 6.240 373 HD21 LEU 52 3HD2 LEU 52 2.927 -4.051 9.513 374 HD22 LEU 52 1HD2 LEU 52 1.464 -4.302 10.465 375 HD23 LEU 52 2HD2 LEU 52 1.820 -2.709 9.800 376 H ASN 53 H ASN 53 -2.038 -2.167 10.504 377 HA ASN 53 HA ASN 53 -4.857 -2.721 10.077 378 HB2 ASN 53 2HB ASN 53 -4.100 -1.435 12.068 379 HB3 ASN 53 3HB ASN 53 -3.500 -0.163 11.006 380 HD21 ASN 53 1HD2 ASN 53 -5.408 0.276 13.006 381 HD22 ASN 53 2HD2 ASN 53 -6.896 0.717 12.258 382 H VAL 54 H VAL 54 -5.464 -2.706 7.970 383 HA VAL 54 HA VAL 54 -4.307 -1.232 5.897 384 HB VAL 54 HB VAL 54 -5.718 -3.163 5.451 385 HG11 VAL 54 1HG1 VAL 54 -7.380 -2.847 7.220 386 HG12 VAL 54 2HG1 VAL 54 -8.153 -3.071 5.650 387 HG13 VAL 54 3HG1 VAL 54 -8.044 -1.458 6.357 388 HG21 VAL 54 3HG2 VAL 54 -5.426 -1.520 3.663 389 HG22 VAL 54 1HG2 VAL 54 -6.853 -0.643 4.219 390 HG23 VAL 54 2HG2 VAL 54 -7.017 -2.275 3.567 391 H GLU 55 H GLU 55 -6.886 -0.331 8.131 392 HA GLU 55 HA GLU 55 -7.892 1.925 6.786 393 HB2 GLU 55 2HB GLU 55 -7.675 1.539 9.783 394 HB3 GLU 55 3HB GLU 55 -8.793 2.602 8.949 395 HG2 GLU 55 2HG GLU 55 -8.784 -0.413 8.878 396 HG3 GLU 55 3HG GLU 55 -9.925 0.617 9.737 397 H ASP 56 H ASP 56 -5.285 1.624 9.187 398 HA ASP 56 HA ASP 56 -4.690 4.401 9.315 399 HB2 ASP 56 2HB ASP 56 -4.103 2.634 11.052 400 HB3 ASP 56 3HB ASP 56 -2.784 2.151 9.991 401 H ILE 57 H ILE 57 -3.487 1.755 7.310 402 HA ILE 57 HA ILE 57 -1.308 3.101 6.117 403 HB ILE 57 HB ILE 57 -3.051 0.927 4.926 404 HG12 ILE 57 2HG1 ILE 57 -0.437 0.763 6.453 405 HG13 ILE 57 3HG1 ILE 57 -2.013 0.248 7.043 406 HG21 ILE 57 1HG2 ILE 57 -1.146 0.464 3.447 407 HG22 ILE 57 2HG2 ILE 57 -0.288 1.853 4.115 408 HG23 ILE 57 3HG2 ILE 57 -1.777 2.090 3.200 409 HD11 ILE 57 3HD1 ILE 57 -2.094 -1.472 5.305 410 HD12 ILE 57 1HD1 ILE 57 -0.680 -1.647 6.346 411 HD13 ILE 57 2HD1 ILE 57 -0.505 -0.958 4.731 412 H LEU 58 H LEU 58 -4.654 2.651 4.926 413 HA LEU 58 HA LEU 58 -4.476 4.188 2.606 414 HB2 LEU 58 2HB LEU 58 -6.874 3.904 4.429 415 HB3 LEU 58 3HB LEU 58 -6.917 4.424 2.754 416 HG LEU 58 HG LEU 58 -6.140 1.680 3.759 417 HD11 LEU 58 1HD1 LEU 58 -8.159 0.939 2.583 418 HD12 LEU 58 2HD1 LEU 58 -8.541 2.617 2.191 419 HD13 LEU 58 3HD1 LEU 58 -8.529 2.084 3.873 420 HD21 LEU 58 3HD2 LEU 58 -6.260 2.724 0.925 421 HD22 LEU 58 1HD2 LEU 58 -5.989 1.045 1.397 422 HD23 LEU 58 2HD2 LEU 58 -4.800 2.279 1.814 423 H ARG 59 H ARG 59 -5.124 5.167 5.921 424 HA ARG 59 HA ARG 59 -5.712 7.849 5.680 425 HB2 ARG 59 2HB ARG 59 -5.717 6.757 7.821 426 HB3 ARG 59 3HB ARG 59 -4.010 6.373 7.693 427 HG2 ARG 59 2HG ARG 59 -3.810 9.030 7.589 428 HG3 ARG 59 3HG ARG 59 -5.333 8.913 8.473 429 HD2 ARG 59 2HD ARG 59 -3.434 9.026 10.010 430 HD3 ARG 59 3HD ARG 59 -4.254 7.470 10.141 431 HE ARG 59 HE ARG 59 -2.424 6.604 8.652 432 HH11 ARG 59 1HH1 ARG 59 -1.926 9.260 10.788 433 HH12 ARG 59 2HH1 ARG 59 -0.210 9.061 10.809 434 HH21 ARG 59 1HH2 ARG 59 -0.214 6.372 8.676 435 HH22 ARG 59 2HH2 ARG 59 0.749 7.472 9.606 436 H ASP 60 H ASP 60 -2.421 6.437 5.962 437 HA ASP 60 HA ASP 60 -1.136 8.970 5.628 438 HB2 ASP 60 2HB ASP 60 -0.221 6.958 6.896 439 HB3 ASP 60 3HB ASP 60 0.175 6.258 5.328 440 H LEU 61 H LEU 61 -1.948 6.324 3.456 441 HA LEU 61 HA LEU 61 -0.429 7.086 1.217 442 HB2 LEU 61 2HB LEU 61 -3.093 5.669 1.372 443 HB3 LEU 61 3HB LEU 61 -2.164 5.844 -0.107 444 HG LEU 61 HG LEU 61 -1.264 4.353 2.368 445 HD11 LEU 61 1HD1 LEU 61 -1.492 2.355 0.963 446 HD12 LEU 61 2HD1 LEU 61 -2.160 3.348 -0.333 447 HD13 LEU 61 3HD1 LEU 61 -3.035 3.178 1.189 448 HD21 LEU 61 3HD2 LEU 61 0.624 5.364 1.208 449 HD22 LEU 61 1HD2 LEU 61 0.069 4.685 -0.324 450 HD23 LEU 61 2HD2 LEU 61 0.618 3.617 0.967 451 H ASN 62 H ASN 62 -3.813 7.931 2.030 452 HA ASN 62 HA ASN 62 -4.072 9.736 -0.177 453 HB2 ASN 62 2HB ASN 62 -5.744 9.330 2.310 454 HB3 ASN 62 3HB ASN 62 -6.145 10.516 1.070 455 HD21 ASN 62 1HD2 ASN 62 -5.967 7.138 1.837 456 HD22 ASN 62 2HD2 ASN 62 -6.802 6.573 0.437 457 H ALA 63 H ALA 63 -2.933 10.057 3.112 458 HA ALA 63 HA ALA 63 -2.917 12.859 3.331 459 HB1 ALA 63 3HB ALA 63 -0.935 10.890 4.486 460 HB2 ALA 63 1HB ALA 63 -2.462 11.379 5.223 461 HB3 ALA 63 2HB ALA 63 -1.167 12.558 5.015 462 H LEU 64 H LEU 64 -0.910 10.709 1.469 463 HA LEU 64 HA LEU 64 1.260 12.436 0.910 464 HB2 LEU 64 2HB LEU 64 0.039 10.249 -0.783 465 HB3 LEU 64 3HB LEU 64 1.563 11.039 -1.134 466 HG LEU 64 HG LEU 64 1.002 9.395 1.342 467 HD11 LEU 64 1HD1 LEU 64 2.466 7.725 0.318 468 HD12 LEU 64 2HD1 LEU 64 2.586 8.713 -1.137 469 HD13 LEU 64 3HD1 LEU 64 1.034 8.015 -0.671 470 HD21 LEU 64 3HD2 LEU 64 3.580 10.580 0.303 471 HD22 LEU 64 1HD2 LEU 64 3.407 9.552 1.726 472 HD23 LEU 64 2HD2 LEU 64 2.674 11.155 1.703 473 H ALA 65 H ALA 65 -1.986 12.271 -0.381 474 HA ALA 65 HA ALA 65 -1.432 14.078 -2.584 475 HB1 ALA 65 3HB ALA 65 -3.817 13.908 -3.058 476 HB2 ALA 65 1HB ALA 65 -4.073 13.053 -1.535 477 HB3 ALA 65 2HB ALA 65 -3.115 12.309 -2.815 478 H LEU 66 H LEU 66 -2.900 14.241 0.621 479 HA LEU 66 HA LEU 66 -3.838 16.923 0.417 480 HB2 LEU 66 2HB LEU 66 -3.181 15.277 2.866 481 HB3 LEU 66 3HB LEU 66 -4.063 16.793 2.878 482 HG LEU 66 HG LEU 66 -4.991 14.226 1.567 483 HD11 LEU 66 1HD1 LEU 66 -6.689 14.187 3.325 484 HD12 LEU 66 2HD1 LEU 66 -5.974 15.623 4.059 485 HD13 LEU 66 3HD1 LEU 66 -5.063 14.113 4.005 486 HD21 LEU 66 3HD2 LEU 66 -6.367 16.907 1.829 487 HD22 LEU 66 1HD2 LEU 66 -7.117 15.425 1.233 488 HD23 LEU 66 2HD2 LEU 66 -5.792 16.163 0.337 489 H GLU 67 H GLU 67 -0.979 15.545 2.070 490 HA GLU 67 HA GLU 67 1.033 16.420 2.664 491 HB2 GLU 67 2HB GLU 67 0.414 18.324 0.400 492 HB3 GLU 67 3HB GLU 67 1.978 18.205 1.194 493 HG2 GLU 67 2HG GLU 67 2.129 15.849 0.470 494 HG3 GLU 67 3HG GLU 67 0.601 16.042 -0.392 495 H HIS 68 H HIS 68 -1.483 17.650 3.897 496 HA HIS 68 HA HIS 68 -1.160 20.380 4.332 497 HB2 HIS 68 2HB HIS 68 -2.489 20.022 6.446 498 HB3 HIS 68 3HB HIS 68 -3.221 19.389 4.979 499 HD1 HIS 68 HD1 HIS 68 -1.293 18.143 8.011 500 HD2 HIS 68 HD2 HIS 68 -3.941 16.760 5.122 501 HE1 HIS 68 HE1 HIS 68 -1.891 15.810 8.708 502 HE2 HIS 68 HE2 HIS 68 -3.656 15.086 7.071 503 H HIS 69 H HIS 69 1.068 20.726 4.517 504 HA HIS 69 HA HIS 69 2.158 21.195 7.009 505 HB2 HIS 69 2HB HIS 69 2.180 18.712 7.275 506 HB3 HIS 69 3HB HIS 69 3.235 18.594 5.870 507 HD1 HIS 69 HD1 HIS 69 5.654 18.500 6.412 508 HD2 HIS 69 HD2 HIS 69 3.470 20.348 9.426 509 HE1 HIS 69 HE1 HIS 69 7.308 19.001 8.230 510 HE2 HIS 69 HE2 HIS 69 5.914 19.883 10.127 511 H HIS 70 H HIS 70 2.777 20.250 3.671 512 HA HIS 70 HA HIS 70 5.327 21.603 3.503 513 HB2 HIS 70 2HB HIS 70 3.509 20.503 1.338 514 HB3 HIS 70 3HB HIS 70 5.107 21.182 1.042 515 HD1 HIS 70 HD1 HIS 70 3.937 18.128 0.683 516 HD2 HIS 70 HD2 HIS 70 6.742 19.545 3.401 517 HE1 HIS 70 HE1 HIS 70 5.286 16.129 1.353 518 HE2 HIS 70 HE2 HIS 70 7.099 17.045 2.830 519 H HIS 71 H HIS 71 5.413 23.792 3.572 520 HA HIS 71 HA HIS 71 3.783 25.279 1.650 521 HB2 HIS 71 2HB HIS 71 2.574 25.456 3.801 522 HB3 HIS 71 3HB HIS 71 4.022 26.114 4.558 523 HD1 HIS 71 HD1 HIS 71 4.604 28.580 4.056 524 HD2 HIS 71 HD2 HIS 71 1.195 27.235 2.098 525 HE1 HIS 71 HE1 HIS 71 3.518 30.635 3.113 526 HE2 HIS 71 HE2 HIS 71 1.558 29.776 1.788 527 H HIS 72 H HIS 72 5.164 26.374 0.404 528 HA HIS 72 HA HIS 72 7.829 27.042 1.404 529 HB2 HIS 72 2HB HIS 72 7.540 25.952 -0.819 530 HB3 HIS 72 3HB HIS 72 6.675 27.377 -1.379 531 HD1 HIS 72 HD1 HIS 72 8.099 29.549 -1.758 532 HD2 HIS 72 HD2 HIS 72 10.312 26.178 -0.756 533 HE1 HIS 72 HE1 HIS 72 10.483 30.135 -2.270 534 HE2 HIS 72 HE2 HIS 72 11.779 28.029 -1.804 535 H HIS 73 H HIS 73 8.566 29.102 1.753 536 HA HIS 73 HA HIS 73 6.616 31.293 1.402 537 HB2 HIS 73 2HB HIS 73 7.875 32.444 3.266 538 HB3 HIS 73 3HB HIS 73 6.995 30.995 3.731 539 HD1 HIS 73 HD1 HIS 73 10.475 32.323 3.312 540 HD2 HIS 73 HD2 HIS 73 8.579 28.885 4.660 541 HE1 HIS 73 HE1 HIS 73 12.249 30.999 4.495 542 HE2 HIS 73 HE2 HIS 73 11.057 28.974 5.381 Start of MODEL 3 1 H1 MET 1 1H MET 1 -16.645 13.458 -2.953 2 H2 MET 1 2H MET 1 -17.244 11.876 -2.974 3 H3 MET 1 3H MET 1 -15.703 12.204 -3.583 4 HA MET 1 HA MET 1 -14.909 12.817 -1.415 5 HB2 MET 1 2HB MET 1 -17.655 11.988 -0.435 6 HB3 MET 1 3HB MET 1 -16.309 12.525 0.563 7 HG2 MET 1 2HG MET 1 -17.822 14.178 -1.451 8 HG3 MET 1 3HG MET 1 -17.917 14.305 0.304 9 HE1 MET 1 3HE MET 1 -14.367 15.661 1.225 10 HE2 MET 1 1HE MET 1 -14.896 13.979 1.192 11 HE3 MET 1 2HE MET 1 -15.963 15.227 1.838 12 H THR 2 H THR 2 -13.557 11.117 -1.947 13 HA THR 2 HA THR 2 -14.124 8.572 -0.688 14 HB THR 2 HB THR 2 -13.712 8.657 -3.697 15 HG1 THR 2 HG1 THR 2 -15.965 8.262 -2.048 16 HG21 THR 2 3HG2 THR 2 -12.573 6.733 -2.686 17 HG22 THR 2 1HG2 THR 2 -13.979 6.216 -3.617 18 HG23 THR 2 2HG2 THR 2 -14.061 6.278 -1.856 19 H GLN 3 H GLN 3 -12.254 7.403 -0.231 20 HA GLN 3 HA GLN 3 -9.780 8.762 -0.212 21 HB2 GLN 3 2HB GLN 3 -10.343 5.800 0.116 22 HB3 GLN 3 3HB GLN 3 -8.821 6.587 0.515 23 HG2 GLN 3 2HG GLN 3 -9.940 7.915 2.229 24 HG3 GLN 3 3HG GLN 3 -11.482 7.169 1.813 25 HE21 GLN 3 1HE2 GLN 3 -10.264 4.528 1.415 26 HE22 GLN 3 2HE2 GLN 3 -9.929 3.926 2.998 27 H LYS 4 H LYS 4 -8.565 9.220 -1.961 28 HA LYS 4 HA LYS 4 -8.782 8.036 -4.486 29 HB2 LYS 4 2HB LYS 4 -6.380 9.452 -3.299 30 HB3 LYS 4 3HB LYS 4 -6.627 9.126 -5.010 31 HG2 LYS 4 2HG LYS 4 -8.682 10.539 -4.921 32 HG3 LYS 4 3HG LYS 4 -8.273 10.944 -3.251 33 HD2 LYS 4 2HD LYS 4 -7.504 12.710 -4.725 34 HD3 LYS 4 3HD LYS 4 -6.115 11.867 -4.036 35 HE2 LYS 4 2HE LYS 4 -5.792 12.323 -6.420 36 HE3 LYS 4 3HE LYS 4 -5.845 10.592 -6.098 37 HZ1 LYS 4 3HZ LYS 4 -8.021 12.256 -7.242 38 HZ2 LYS 4 1HZ LYS 4 -8.203 10.631 -6.797 39 HZ3 LYS 4 2HZ LYS 4 -7.132 11.049 -8.031 40 H PHE 5 H PHE 5 -6.445 7.413 -1.895 41 HA PHE 5 HA PHE 5 -5.520 4.986 -3.238 42 HB2 PHE 5 2HB PHE 5 -4.662 6.265 -0.623 43 HB3 PHE 5 3HB PHE 5 -3.940 4.820 -1.322 44 HD1 PHE 5 HD1 PHE 5 -4.502 8.446 -1.915 45 HD2 PHE 5 HD2 PHE 5 -2.231 4.984 -2.925 46 HE1 PHE 5 HE1 PHE 5 -2.929 9.848 -3.187 47 HE2 PHE 5 HE2 PHE 5 -0.660 6.385 -4.196 48 HZ PHE 5 HZ PHE 5 -1.011 8.819 -4.328 49 H THR 6 H THR 6 -7.241 3.600 -3.129 50 HA THR 6 HA THR 6 -8.611 3.195 -0.567 51 HB THR 6 HB THR 6 -10.128 3.493 -2.397 52 HG1 THR 6 HG1 THR 6 -11.363 1.867 -1.800 53 HG21 THR 6 3HG2 THR 6 -8.622 2.890 -4.243 54 HG22 THR 6 1HG2 THR 6 -10.160 2.035 -4.364 55 HG23 THR 6 2HG2 THR 6 -8.728 1.194 -3.773 56 H LYS 7 H LYS 7 -9.152 0.998 0.108 57 HA LYS 7 HA LYS 7 -6.852 -0.681 0.249 58 HB2 LYS 7 2HB LYS 7 -8.349 -2.216 1.495 59 HB3 LYS 7 3HB LYS 7 -8.400 -0.567 2.101 60 HG2 LYS 7 2HG LYS 7 -10.497 -0.197 0.852 61 HG3 LYS 7 3HG LYS 7 -10.451 -1.881 0.322 62 HD2 LYS 7 2HD LYS 7 -11.949 -1.554 2.251 63 HD3 LYS 7 3HD LYS 7 -10.608 -2.640 2.627 64 HE2 LYS 7 2HE LYS 7 -9.430 -0.813 3.740 65 HE3 LYS 7 3HE LYS 7 -10.732 0.299 3.326 66 HZ1 LYS 7 3HZ LYS 7 -11.012 -2.090 5.065 67 HZ2 LYS 7 1HZ LYS 7 -12.230 -0.974 4.702 68 HZ3 LYS 7 2HZ LYS 7 -10.885 -0.493 5.607 69 H ASP 8 H ASP 8 -9.427 -0.432 -1.975 70 HA ASP 8 HA ASP 8 -9.512 -3.135 -2.898 71 HB2 ASP 8 2HB ASP 8 -11.422 -1.695 -3.214 72 HB3 ASP 8 3HB ASP 8 -10.456 -0.528 -4.112 73 H MET 9 H MET 9 -7.686 -0.261 -3.882 74 HA MET 9 HA MET 9 -6.808 -1.344 -6.371 75 HB2 MET 9 2HB MET 9 -5.361 0.591 -6.518 76 HB3 MET 9 3HB MET 9 -6.943 1.085 -5.934 77 HG2 MET 9 2HG MET 9 -5.956 0.981 -3.602 78 HG3 MET 9 3HG MET 9 -4.384 0.843 -4.383 79 HE1 MET 9 3HE MET 9 -3.444 2.727 -6.098 80 HE2 MET 9 1HE MET 9 -4.291 4.238 -6.427 81 HE3 MET 9 2HE MET 9 -4.961 2.710 -6.998 82 H THR 10 H THR 10 -4.740 -2.082 -6.959 83 HA THR 10 HA THR 10 -3.476 -3.725 -4.949 84 HB THR 10 HB THR 10 -2.162 -4.669 -6.732 85 HG1 THR 10 HG1 THR 10 -2.745 -3.567 -8.939 86 HG21 THR 10 3HG2 THR 10 -3.906 -5.403 -8.287 87 HG22 THR 10 1HG2 THR 10 -4.950 -4.087 -7.752 88 HG23 THR 10 2HG2 THR 10 -4.515 -5.378 -6.632 89 H PHE 11 H PHE 11 -1.087 -3.826 -4.731 90 HA PHE 11 HA PHE 11 0.091 -1.425 -3.948 91 HB2 PHE 11 2HB PHE 11 1.415 -4.018 -4.792 92 HB3 PHE 11 3HB PHE 11 2.258 -2.691 -3.999 93 HD1 PHE 11 HD2 PHE 11 1.864 -2.181 -1.660 94 HD2 PHE 11 HD1 PHE 11 -0.115 -5.442 -3.557 95 HE1 PHE 11 HE2 PHE 11 1.242 -3.082 0.538 96 HE2 PHE 11 HE1 PHE 11 -0.742 -6.345 -1.356 97 HZ PHE 11 HZ PHE 11 -0.060 -5.163 0.697 98 H ALA 12 H ALA 12 0.392 -3.172 -7.028 99 HA ALA 12 HA ALA 12 2.269 -1.511 -8.279 100 HB1 ALA 12 3HB ALA 12 -0.004 -3.011 -9.588 101 HB2 ALA 12 1HB ALA 12 1.564 -3.697 -9.161 102 HB3 ALA 12 2HB ALA 12 1.461 -2.426 -10.380 103 H GLN 13 H GLN 13 -1.298 -1.298 -8.287 104 HA GLN 13 HA GLN 13 -1.549 0.987 -9.895 105 HB2 GLN 13 2HB GLN 13 -3.311 0.157 -7.573 106 HB3 GLN 13 3HB GLN 13 -3.748 1.309 -8.827 107 HG2 GLN 13 2HG GLN 13 -3.602 -0.468 -10.506 108 HG3 GLN 13 3HG GLN 13 -3.175 -1.619 -9.242 109 HE21 GLN 13 1HE2 GLN 13 -5.564 0.955 -8.941 110 HE22 GLN 13 2HE2 GLN 13 -6.928 -0.095 -8.776 111 H ALA 14 H ALA 14 -1.231 0.723 -6.353 112 HA ALA 14 HA ALA 14 -1.391 3.443 -5.719 113 HB1 ALA 14 3HB ALA 14 -1.508 1.631 -4.065 114 HB2 ALA 14 1HB ALA 14 -0.319 2.854 -3.614 115 HB3 ALA 14 2HB ALA 14 0.212 1.315 -4.295 116 H LEU 15 H LEU 15 1.522 1.472 -6.337 117 HA LEU 15 HA LEU 15 3.452 3.455 -6.031 118 HB2 LEU 15 2HB LEU 15 3.445 1.052 -7.864 119 HB3 LEU 15 3HB LEU 15 4.861 2.031 -7.537 120 HG LEU 15 HG LEU 15 3.333 0.440 -5.463 121 HD11 LEU 15 1HD1 LEU 15 6.002 -0.106 -6.765 122 HD12 LEU 15 2HD1 LEU 15 4.515 -1.020 -7.012 123 HD13 LEU 15 3HD1 LEU 15 5.298 -1.023 -5.432 124 HD21 LEU 15 3HD2 LEU 15 4.390 2.454 -4.540 125 HD22 LEU 15 1HD2 LEU 15 5.936 1.960 -5.233 126 HD23 LEU 15 2HD2 LEU 15 5.183 0.986 -3.968 127 H GLN 16 H GLN 16 1.524 2.642 -8.888 128 HA GLN 16 HA GLN 16 2.854 4.516 -10.609 129 HB2 GLN 16 2HB GLN 16 0.208 3.078 -10.899 130 HB3 GLN 16 3HB GLN 16 0.939 4.071 -12.155 131 HG2 GLN 16 2HG GLN 16 2.118 1.557 -10.972 132 HG3 GLN 16 3HG GLN 16 1.344 1.708 -12.548 133 HE21 GLN 16 1HE2 GLN 16 4.180 2.403 -10.680 134 HE22 GLN 16 2HE2 GLN 16 5.178 2.885 -12.003 135 H THR 17 H THR 17 0.137 4.691 -8.417 136 HA THR 17 HA THR 17 -1.068 7.038 -9.478 137 HB THR 17 HB THR 17 -1.215 5.954 -6.649 138 HG1 THR 17 HG1 THR 17 -2.025 4.621 -8.469 139 HG21 THR 17 3HG2 THR 17 -1.884 8.317 -6.728 140 HG22 THR 17 1HG2 THR 17 -3.288 7.281 -6.466 141 HG23 THR 17 2HG2 THR 17 -2.983 7.968 -8.061 142 H HIS 18 H HIS 18 1.350 6.558 -6.899 143 HA HIS 18 HA HIS 18 2.281 9.293 -7.288 144 HB2 HIS 18 2HB HIS 18 0.908 8.370 -4.811 145 HB3 HIS 18 3HB HIS 18 2.337 9.376 -4.599 146 HD1 HIS 18 HD1 HIS 18 -0.978 9.516 -6.474 147 HD2 HIS 18 HD2 HIS 18 1.829 12.034 -4.749 148 HE1 HIS 18 HE1 HIS 18 -1.969 11.812 -6.606 149 HE2 HIS 18 HE2 HIS 18 -0.157 13.335 -5.774 150 HA PRO 19 HA PRO 19 6.185 7.287 -6.733 151 HB2 PRO 19 2HB PRO 19 7.780 9.437 -6.314 152 HB3 PRO 19 3HB PRO 19 7.057 9.083 -7.888 153 HG2 PRO 19 2HG PRO 19 6.139 11.011 -5.778 154 HG3 PRO 19 3HG PRO 19 6.272 11.255 -7.531 155 HD2 PRO 19 2HD PRO 19 3.914 10.690 -6.316 156 HD3 PRO 19 3HD PRO 19 4.290 10.140 -7.963 157 H GLY 20 H GLY 20 4.927 9.352 -4.189 158 HA2 GLY 20 2HA GLY 20 6.939 8.736 -2.241 159 HA3 GLY 20 3HA GLY 20 5.383 9.484 -1.929 160 H VAL 21 H VAL 21 4.295 6.938 -3.432 161 HA VAL 21 HA VAL 21 3.346 5.631 -1.146 162 HB VAL 21 HB VAL 21 3.508 4.574 -3.978 163 HG11 VAL 21 1HG1 VAL 21 1.844 3.611 -1.645 164 HG12 VAL 21 2HG1 VAL 21 3.169 2.738 -2.416 165 HG13 VAL 21 3HG1 VAL 21 1.683 3.054 -3.311 166 HG21 VAL 21 3HG2 VAL 21 1.278 5.996 -2.515 167 HG22 VAL 21 1HG2 VAL 21 1.170 5.320 -4.141 168 HG23 VAL 21 2HG2 VAL 21 2.265 6.664 -3.814 169 H ALA 22 H ALA 22 6.093 4.839 -3.237 170 HA ALA 22 HA ALA 22 6.819 2.352 -2.285 171 HB1 ALA 22 3HB ALA 22 8.703 4.595 -3.031 172 HB2 ALA 22 1HB ALA 22 7.928 3.483 -4.161 173 HB3 ALA 22 2HB ALA 22 9.095 2.877 -2.986 174 H GLY 23 H GLY 23 7.745 5.515 -0.918 175 HA2 GLY 23 2HA GLY 23 9.296 4.532 1.228 176 HA3 GLY 23 3HA GLY 23 8.527 6.111 1.155 177 H VAL 24 H VAL 24 5.836 5.335 1.031 178 HA VAL 24 HA VAL 24 5.206 4.954 3.748 179 HB VAL 24 HB VAL 24 3.372 4.488 1.381 180 HG11 VAL 24 1HG1 VAL 24 2.760 5.167 4.263 181 HG12 VAL 24 2HG1 VAL 24 2.452 3.625 3.463 182 HG13 VAL 24 3HG1 VAL 24 1.575 5.070 2.962 183 HG21 VAL 24 3HG2 VAL 24 3.944 7.047 2.890 184 HG22 VAL 24 1HG2 VAL 24 2.708 6.841 1.648 185 HG23 VAL 24 2HG2 VAL 24 4.414 6.689 1.228 186 H LEU 25 H LEU 25 4.890 2.693 0.992 187 HA LEU 25 HA LEU 25 3.909 0.492 2.397 188 HB2 LEU 25 2HB LEU 25 5.714 0.503 -0.029 189 HB3 LEU 25 3HB LEU 25 4.805 -0.884 0.542 190 HG LEU 25 HG LEU 25 3.635 1.694 -0.530 191 HD11 LEU 25 1HD1 LEU 25 2.857 0.319 -2.383 192 HD12 LEU 25 2HD1 LEU 25 3.647 -1.094 -1.683 193 HD13 LEU 25 3HD1 LEU 25 4.616 0.264 -2.257 194 HD21 LEU 25 3HD2 LEU 25 1.463 0.548 -0.360 195 HD22 LEU 25 1HD2 LEU 25 2.206 0.797 1.221 196 HD23 LEU 25 2HD2 LEU 25 2.248 -0.798 0.467 197 H ARG 26 H ARG 26 7.307 1.337 1.683 198 HA ARG 26 HA ARG 26 8.479 -0.843 3.030 199 HB2 ARG 26 2HB ARG 26 9.568 1.941 2.551 200 HB3 ARG 26 3HB ARG 26 10.527 0.582 3.121 201 HG2 ARG 26 2HG ARG 26 10.032 -0.628 1.042 202 HG3 ARG 26 3HG ARG 26 9.101 0.756 0.469 203 HD2 ARG 26 2HD ARG 26 11.325 0.781 -0.503 204 HD3 ARG 26 3HD ARG 26 11.117 2.152 0.585 205 HE ARG 26 HE ARG 26 12.352 0.684 2.253 206 HH11 ARG 26 1HH1 ARG 26 12.879 0.551 -1.146 207 HH12 ARG 26 2HH1 ARG 26 14.510 -0.005 -0.983 208 HH21 ARG 26 1HH2 ARG 26 14.452 -0.021 2.452 209 HH22 ARG 26 2HH2 ARG 26 15.389 -0.319 1.028 210 H SER 27 H SER 27 7.631 2.409 4.188 211 HA SER 27 HA SER 27 8.592 2.207 6.811 212 HB2 SER 27 2HB SER 27 7.837 4.332 5.879 213 HB3 SER 27 3HB SER 27 6.185 3.727 5.767 214 HG SER 27 HG SER 27 6.018 4.600 7.675 215 H TYR 28 H TYR 28 5.610 1.033 5.380 216 HA TYR 28 HA TYR 28 4.654 0.034 7.967 217 HB2 TYR 28 2HB TYR 28 3.389 0.369 5.257 218 HB3 TYR 28 3HB TYR 28 2.658 -0.691 6.458 219 HD1 TYR 28 HD2 TYR 28 3.838 2.831 5.994 220 HD2 TYR 28 HD1 TYR 28 1.224 0.185 8.071 221 HE1 TYR 28 HE2 TYR 28 2.718 4.758 7.039 222 HE2 TYR 28 HE1 TYR 28 0.107 2.103 9.119 223 HH TYR 28 HH TYR 28 0.294 4.310 9.558 224 H ASN 29 H ASN 29 6.995 -1.151 6.446 225 HA ASN 29 HA ASN 29 7.926 -3.220 6.309 226 HB2 ASN 29 2HB ASN 29 6.708 -3.760 8.368 227 HB3 ASN 29 3HB ASN 29 5.289 -4.211 7.429 228 HD21 ASN 29 1HD2 ASN 29 8.509 -5.116 8.361 229 HD22 ASN 29 2HD2 ASN 29 8.406 -6.759 7.840 230 H LEU 30 H LEU 30 5.031 -2.486 4.640 231 HA LEU 30 HA LEU 30 4.627 -4.821 3.129 232 HB2 LEU 30 2HB LEU 30 3.993 -1.946 2.453 233 HB3 LEU 30 3HB LEU 30 3.376 -3.335 1.579 234 HG LEU 30 HG LEU 30 2.835 -2.798 4.504 235 HD11 LEU 30 1HD1 LEU 30 0.589 -2.124 3.800 236 HD12 LEU 30 2HD1 LEU 30 1.074 -2.262 2.112 237 HD13 LEU 30 3HD1 LEU 30 1.826 -1.052 3.151 238 HD21 LEU 30 3HD2 LEU 30 1.110 -4.512 4.259 239 HD22 LEU 30 1HD2 LEU 30 2.704 -5.163 3.881 240 HD23 LEU 30 2HD2 LEU 30 1.582 -4.767 2.579 241 H GLY 31 H GLY 31 7.216 -2.639 2.983 242 HA2 GLY 31 2HA GLY 31 7.887 -2.439 0.303 243 HA3 GLY 31 3HA GLY 31 9.059 -2.547 1.606 244 H CYS 32 H CYS 32 7.939 -5.314 2.261 245 HA CYS 32 HA CYS 32 9.768 -6.812 0.652 246 HB2 CYS 32 2HB CYS 32 7.671 -7.737 2.629 247 HB3 CYS 32 3HB CYS 32 8.885 -8.783 1.899 248 HG CYS 32 HG CYS 32 10.522 -8.455 3.833 249 H ILE 33 H ILE 33 6.838 -5.653 -0.251 250 HA ILE 33 HA ILE 33 5.443 -7.759 -1.413 251 HB ILE 33 HB ILE 33 4.667 -6.079 -3.139 252 HG12 ILE 33 2HG1 ILE 33 6.414 -4.211 -1.504 253 HG13 ILE 33 3HG1 ILE 33 6.690 -4.678 -3.179 254 HG21 ILE 33 1HG2 ILE 33 4.426 -5.363 -0.219 255 HG22 ILE 33 2HG2 ILE 33 3.403 -6.478 -1.123 256 HG23 ILE 33 3HG2 ILE 33 3.379 -4.757 -1.501 257 HD11 ILE 33 3HD1 ILE 33 4.598 -3.579 -3.817 258 HD12 ILE 33 1HD1 ILE 33 5.729 -2.467 -3.049 259 HD13 ILE 33 2HD1 ILE 33 4.354 -3.090 -2.138 260 H GLY 34 H GLY 34 8.381 -6.200 -2.530 261 HA2 GLY 34 2HA GLY 34 8.410 -7.217 -5.176 262 HA3 GLY 34 3HA GLY 34 9.816 -6.703 -4.258 263 H CYS 35 H CYS 35 9.703 -8.518 -2.139 264 HA CYS 35 HA CYS 35 10.850 -10.858 -3.303 265 HB2 CYS 35 2HB CYS 35 11.692 -10.097 -1.183 266 HB3 CYS 35 3HB CYS 35 10.093 -10.188 -0.454 267 HG CYS 35 HG CYS 35 10.602 -13.172 -1.507 268 H MET 36 H MET 36 7.876 -10.402 -1.366 269 HA MET 36 HA MET 36 7.104 -13.143 -1.591 270 HB2 MET 36 2HB MET 36 5.013 -12.428 -0.490 271 HB3 MET 36 3HB MET 36 6.447 -11.850 0.345 272 HG2 MET 36 2HG MET 36 6.147 -9.645 -0.714 273 HG3 MET 36 3HG MET 36 4.674 -10.233 -1.481 274 HE1 MET 36 3HE MET 36 2.470 -10.889 -0.147 275 HE2 MET 36 1HE MET 36 2.363 -10.886 1.614 276 HE3 MET 36 2HE MET 36 3.416 -12.041 0.796 277 H GLY 37 H GLY 37 6.810 -10.594 -3.795 278 HA2 GLY 37 2HA GLY 37 5.823 -10.526 -5.881 279 HA3 GLY 37 3HA GLY 37 5.234 -12.158 -5.614 280 H ALA 38 H ALA 38 4.634 -9.104 -3.891 281 HA ALA 38 HA ALA 38 1.743 -9.510 -4.336 282 HB1 ALA 38 3HB ALA 38 2.394 -9.612 -1.976 283 HB2 ALA 38 1HB ALA 38 1.361 -8.218 -2.295 284 HB3 ALA 38 2HB ALA 38 3.101 -8.002 -2.096 285 H GLN 39 H GLN 39 2.537 -8.476 -6.477 286 HA GLN 39 HA GLN 39 2.498 -5.535 -6.311 287 HB2 GLN 39 2HB GLN 39 2.972 -7.339 -8.705 288 HB3 GLN 39 3HB GLN 39 3.110 -5.584 -8.697 289 HG2 GLN 39 2HG GLN 39 4.812 -7.460 -7.058 290 HG3 GLN 39 3HG GLN 39 5.288 -6.740 -8.595 291 HE21 GLN 39 1HE2 GLN 39 4.636 -6.123 -5.229 292 HE22 GLN 39 2HE2 GLN 39 5.391 -4.573 -5.171 293 H ASN 40 H ASN 40 0.749 -8.272 -7.658 294 HA ASN 40 HA ASN 40 -1.341 -6.587 -8.797 295 HB2 ASN 40 2HB ASN 40 -1.114 -9.608 -8.740 296 HB3 ASN 40 3HB ASN 40 -2.208 -8.657 -9.740 297 HD21 ASN 40 1HD2 ASN 40 1.074 -9.712 -9.286 298 HD22 ASN 40 2HD2 ASN 40 1.649 -9.198 -10.832 299 H GLU 41 H GLU 41 -0.728 -7.623 -5.764 300 HA GLU 41 HA GLU 41 -3.427 -8.482 -5.071 301 HB2 GLU 41 2HB GLU 41 -1.519 -9.672 -4.092 302 HB3 GLU 41 3HB GLU 41 -0.942 -8.180 -3.361 303 HG2 GLU 41 2HG GLU 41 -2.799 -8.093 -1.874 304 HG3 GLU 41 3HG GLU 41 -3.629 -9.389 -2.734 305 H SER 42 H SER 42 -4.834 -7.350 -3.729 306 HA SER 42 HA SER 42 -4.690 -4.498 -3.883 307 HB2 SER 42 2HB SER 42 -6.643 -6.215 -2.318 308 HB3 SER 42 3HB SER 42 -6.846 -4.507 -2.706 309 HG SER 42 HG SER 42 -7.460 -5.023 -4.658 310 H LEU 43 H LEU 43 -4.682 -2.975 -2.160 311 HA LEU 43 HA LEU 43 -2.611 -3.270 -0.344 312 HB2 LEU 43 2HB LEU 43 -4.960 -1.376 -0.211 313 HB3 LEU 43 3HB LEU 43 -3.500 -1.219 0.752 314 HG LEU 43 HG LEU 43 -3.632 -1.077 -2.268 315 HD11 LEU 43 1HD1 LEU 43 -3.198 1.105 -0.229 316 HD12 LEU 43 2HD1 LEU 43 -4.646 0.871 -1.209 317 HD13 LEU 43 3HD1 LEU 43 -3.119 1.292 -1.981 318 HD21 LEU 43 3HD2 LEU 43 -1.288 -0.371 -2.138 319 HD22 LEU 43 1HD2 LEU 43 -1.507 -2.001 -1.501 320 HD23 LEU 43 2HD2 LEU 43 -1.299 -0.644 -0.394 321 H GLU 44 H GLU 44 -6.112 -3.584 0.352 322 HA GLU 44 HA GLU 44 -5.851 -4.066 3.119 323 HB2 GLU 44 2HB GLU 44 -8.001 -3.512 2.098 324 HB3 GLU 44 3HB GLU 44 -7.991 -5.024 1.200 325 HG2 GLU 44 2HG GLU 44 -8.112 -6.275 3.304 326 HG3 GLU 44 3HG GLU 44 -8.122 -4.761 4.206 327 H GLN 45 H GLN 45 -6.037 -6.329 0.393 328 HA GLN 45 HA GLN 45 -5.913 -8.735 1.798 329 HB2 GLN 45 2HB GLN 45 -4.817 -8.048 -0.941 330 HB3 GLN 45 3HB GLN 45 -5.048 -9.684 -0.337 331 HG2 GLN 45 2HG GLN 45 -7.408 -9.444 -0.309 332 HG3 GLN 45 3HG GLN 45 -7.303 -7.701 -0.549 333 HE21 GLN 45 1HE2 GLN 45 -8.650 -7.830 -2.361 334 HE22 GLN 45 2HE2 GLN 45 -8.075 -8.426 -3.874 335 H GLY 46 H GLY 46 -3.267 -6.689 0.576 336 HA2 GLY 46 2HA GLY 46 -1.143 -8.323 1.509 337 HA3 GLY 46 3HA GLY 46 -1.034 -6.616 1.113 338 H ALA 47 H ALA 47 -2.866 -5.603 3.000 339 HA ALA 47 HA ALA 47 -1.313 -5.324 5.315 340 HB1 ALA 47 3HB ALA 47 -3.014 -3.699 4.654 341 HB2 ALA 47 1HB ALA 47 -3.281 -4.253 6.307 342 HB3 ALA 47 2HB ALA 47 -4.283 -4.875 4.994 343 H ASN 48 H ASN 48 -4.319 -7.210 4.878 344 HA ASN 48 HA ASN 48 -4.464 -8.464 7.339 345 HB2 ASN 48 2HB ASN 48 -5.171 -9.588 4.612 346 HB3 ASN 48 3HB ASN 48 -5.675 -10.301 6.142 347 HD21 ASN 48 1HD2 ASN 48 -7.277 -9.217 3.949 348 HD22 ASN 48 2HD2 ASN 48 -8.262 -7.986 4.653 349 H ALA 49 H ALA 49 -2.659 -9.548 4.461 350 HA ALA 49 HA ALA 49 -1.652 -11.945 5.530 351 HB1 ALA 49 3HB ALA 49 -0.028 -11.881 3.712 352 HB2 ALA 49 1HB ALA 49 -0.403 -10.181 3.421 353 HB3 ALA 49 2HB ALA 49 -1.630 -11.416 3.137 354 H HIS 50 H HIS 50 -0.514 -8.639 5.883 355 HA HIS 50 HA HIS 50 1.899 -9.555 7.298 356 HB2 HIS 50 2HB HIS 50 1.062 -6.865 6.208 357 HB3 HIS 50 3HB HIS 50 2.448 -7.054 7.278 358 HD1 HIS 50 HD1 HIS 50 4.615 -7.619 6.201 359 HD2 HIS 50 HD2 HIS 50 1.384 -8.403 3.701 360 HE1 HIS 50 HE1 HIS 50 5.613 -8.248 3.987 361 HE2 HIS 50 HE2 HIS 50 3.651 -8.874 2.545 362 H GLY 51 H GLY 51 -1.197 -9.044 8.142 363 HA2 GLY 51 2HA GLY 51 -2.260 -8.689 10.151 364 HA3 GLY 51 3HA GLY 51 -0.687 -8.849 10.915 365 H LEU 52 H LEU 52 -1.608 -6.408 8.545 366 HA LEU 52 HA LEU 52 -0.993 -4.306 10.520 367 HB2 LEU 52 2HB LEU 52 -1.044 -4.181 7.500 368 HB3 LEU 52 3HB LEU 52 -0.590 -2.865 8.570 369 HG LEU 52 HG LEU 52 0.907 -5.484 8.324 370 HD11 LEU 52 1HD1 LEU 52 2.617 -4.147 7.176 371 HD12 LEU 52 2HD1 LEU 52 1.535 -2.754 7.204 372 HD13 LEU 52 3HD1 LEU 52 1.096 -4.193 6.283 373 HD21 LEU 52 3HD2 LEU 52 1.615 -2.929 9.772 374 HD22 LEU 52 1HD2 LEU 52 2.636 -4.360 9.631 375 HD23 LEU 52 2HD2 LEU 52 1.123 -4.443 10.531 376 H ASN 53 H ASN 53 -2.264 -2.355 10.527 377 HA ASN 53 HA ASN 53 -5.080 -2.792 9.992 378 HB2 ASN 53 2HB ASN 53 -4.364 -1.666 12.070 379 HB3 ASN 53 3HB ASN 53 -3.665 -0.358 11.117 380 HD21 ASN 53 1HD2 ASN 53 -5.006 1.184 12.036 381 HD22 ASN 53 2HD2 ASN 53 -6.696 1.271 11.683 382 H VAL 54 H VAL 54 -5.670 -2.621 7.912 383 HA VAL 54 HA VAL 54 -4.354 -1.264 5.890 384 HB VAL 54 HB VAL 54 -5.986 -3.010 5.432 385 HG11 VAL 54 1HG1 VAL 54 -7.636 -2.435 7.157 386 HG12 VAL 54 2HG1 VAL 54 -8.385 -2.627 5.573 387 HG13 VAL 54 3HG1 VAL 54 -8.110 -1.011 6.227 388 HG21 VAL 54 3HG2 VAL 54 -5.431 -1.432 3.642 389 HG22 VAL 54 1HG2 VAL 54 -6.763 -0.388 4.138 390 HG23 VAL 54 2HG2 VAL 54 -7.094 -2.000 3.500 391 H GLU 55 H GLU 55 -6.953 -0.044 7.983 392 HA GLU 55 HA GLU 55 -7.507 2.322 6.574 393 HB2 GLU 55 2HB GLU 55 -7.690 1.821 9.555 394 HB3 GLU 55 3HB GLU 55 -8.446 3.157 8.699 395 HG2 GLU 55 2HG GLU 55 -9.059 0.230 8.302 396 HG3 GLU 55 3HG GLU 55 -10.046 1.384 9.194 397 H ASP 56 H ASP 56 -5.096 1.663 9.094 398 HA ASP 56 HA ASP 56 -4.189 4.340 9.364 399 HB2 ASP 56 2HB ASP 56 -3.845 2.392 10.981 400 HB3 ASP 56 3HB ASP 56 -2.551 1.859 9.912 401 H ILE 57 H ILE 57 -3.253 1.660 7.287 402 HA ILE 57 HA ILE 57 -0.964 2.822 6.086 403 HB ILE 57 HB ILE 57 -2.893 0.830 4.856 404 HG12 ILE 57 2HG1 ILE 57 -0.380 0.315 6.479 405 HG13 ILE 57 3HG1 ILE 57 -2.027 0.077 7.057 406 HG21 ILE 57 1HG2 ILE 57 -1.392 1.837 3.214 407 HG22 ILE 57 2HG2 ILE 57 -0.969 0.146 3.487 408 HG23 ILE 57 3HG2 ILE 57 0.001 1.426 4.215 409 HD11 ILE 57 3HD1 ILE 57 -2.376 -1.660 5.402 410 HD12 ILE 57 1HD1 ILE 57 -0.964 -2.017 6.398 411 HD13 ILE 57 2HD1 ILE 57 -0.755 -1.395 4.762 412 H LEU 58 H LEU 58 -4.346 2.623 4.937 413 HA LEU 58 HA LEU 58 -4.083 4.146 2.611 414 HB2 LEU 58 2HB LEU 58 -6.493 3.965 4.427 415 HB3 LEU 58 3HB LEU 58 -6.509 4.523 2.765 416 HG LEU 58 HG LEU 58 -5.891 1.718 3.703 417 HD11 LEU 58 1HD1 LEU 58 -8.261 2.329 3.813 418 HD12 LEU 58 2HD1 LEU 58 -7.951 1.115 2.574 419 HD13 LEU 58 3HD1 LEU 58 -8.215 2.797 2.113 420 HD21 LEU 58 3HD2 LEU 58 -5.928 2.859 0.908 421 HD22 LEU 58 1HD2 LEU 58 -5.816 1.144 1.309 422 HD23 LEU 58 2HD2 LEU 58 -4.520 2.244 1.776 423 H ARG 59 H ARG 59 -4.570 5.154 5.936 424 HA ARG 59 HA ARG 59 -5.166 7.835 5.689 425 HB2 ARG 59 2HB ARG 59 -5.075 6.737 7.837 426 HB3 ARG 59 3HB ARG 59 -3.353 6.434 7.660 427 HG2 ARG 59 2HG ARG 59 -3.116 9.001 7.585 428 HG3 ARG 59 3HG ARG 59 -4.756 9.022 8.241 429 HD2 ARG 59 2HD ARG 59 -3.058 9.146 10.014 430 HD3 ARG 59 3HD ARG 59 -4.034 7.681 10.141 431 HE ARG 59 HE ARG 59 -1.848 6.951 8.664 432 HH11 ARG 59 1HH1 ARG 59 -2.365 8.258 11.801 433 HH12 ARG 59 2HH1 ARG 59 -0.921 7.555 12.446 434 HH21 ARG 59 1HH2 ARG 59 -0.008 6.054 9.499 435 HH22 ARG 59 2HH2 ARG 59 0.397 6.325 11.160 436 H ASP 60 H ASP 60 -1.871 6.433 5.847 437 HA ASP 60 HA ASP 60 -0.592 8.957 5.409 438 HB2 ASP 60 2HB ASP 60 0.325 6.857 6.628 439 HB3 ASP 60 3HB ASP 60 0.745 6.280 5.019 440 H LEU 61 H LEU 61 -1.486 6.238 3.351 441 HA LEU 61 HA LEU 61 -0.158 7.000 0.994 442 HB2 LEU 61 2HB LEU 61 -2.734 5.482 1.406 443 HB3 LEU 61 3HB LEU 61 -1.973 5.680 -0.162 444 HG LEU 61 HG LEU 61 -0.705 4.292 2.211 445 HD11 LEU 61 1HD1 LEU 61 -2.579 3.010 1.340 446 HD12 LEU 61 2HD1 LEU 61 -1.052 2.236 0.918 447 HD13 LEU 61 3HD1 LEU 61 -1.941 3.154 -0.298 448 HD21 LEU 61 3HD2 LEU 61 0.989 3.576 0.586 449 HD22 LEU 61 1HD2 LEU 61 0.942 5.332 0.733 450 HD23 LEU 61 2HD2 LEU 61 0.204 4.545 -0.663 451 H ASN 62 H ASN 62 -3.497 7.767 2.049 452 HA ASN 62 HA ASN 62 -4.033 9.451 -0.190 453 HB2 ASN 62 2HB ASN 62 -5.417 9.075 2.463 454 HB3 ASN 62 3HB ASN 62 -5.951 10.294 1.310 455 HD21 ASN 62 1HD2 ASN 62 -5.730 6.907 1.979 456 HD22 ASN 62 2HD2 ASN 62 -6.731 6.378 0.679 457 H ALA 63 H ALA 63 -2.513 9.984 2.908 458 HA ALA 63 HA ALA 63 -2.587 12.784 3.024 459 HB1 ALA 63 3HB ALA 63 -1.766 11.422 4.869 460 HB2 ALA 63 1HB ALA 63 -0.554 12.614 4.394 461 HB3 ALA 63 2HB ALA 63 -0.374 10.929 3.906 462 H LEU 64 H LEU 64 -0.650 10.617 1.054 463 HA LEU 64 HA LEU 64 1.240 12.450 0.051 464 HB2 LEU 64 2HB LEU 64 0.007 10.075 -1.362 465 HB3 LEU 64 3HB LEU 64 1.493 10.884 -1.825 466 HG LEU 64 HG LEU 64 1.079 9.384 0.770 467 HD11 LEU 64 1HD1 LEU 64 2.577 7.699 -0.221 468 HD12 LEU 64 2HD1 LEU 64 2.536 8.578 -1.750 469 HD13 LEU 64 3HD1 LEU 64 1.061 7.855 -1.108 470 HD21 LEU 64 3HD2 LEU 64 3.570 10.591 -0.447 471 HD22 LEU 64 1HD2 LEU 64 3.506 9.618 1.024 472 HD23 LEU 64 2HD2 LEU 64 2.708 11.190 0.972 473 H ALA 65 H ALA 65 -2.098 11.819 -0.837 474 HA ALA 65 HA ALA 65 -2.038 13.397 -3.247 475 HB1 ALA 65 3HB ALA 65 -4.397 12.358 -1.670 476 HB2 ALA 65 1HB ALA 65 -3.591 11.518 -2.995 477 HB3 ALA 65 2HB ALA 65 -4.453 13.027 -3.301 478 H LEU 66 H LEU 66 -3.066 13.888 0.099 479 HA LEU 66 HA LEU 66 -4.160 16.495 -0.335 480 HB2 LEU 66 2HB LEU 66 -3.239 15.182 2.229 481 HB3 LEU 66 3HB LEU 66 -4.206 16.641 2.123 482 HG LEU 66 HG LEU 66 -5.069 13.887 1.218 483 HD11 LEU 66 1HD1 LEU 66 -5.923 15.541 3.594 484 HD12 LEU 66 2HD1 LEU 66 -4.968 14.059 3.638 485 HD13 LEU 66 3HD1 LEU 66 -6.644 14.009 3.093 486 HD21 LEU 66 3HD2 LEU 66 -6.590 16.496 1.264 487 HD22 LEU 66 1HD2 LEU 66 -7.273 14.913 0.889 488 HD23 LEU 66 2HD2 LEU 66 -6.056 15.621 -0.173 489 H GLU 67 H GLU 67 -1.018 15.255 0.644 490 HA GLU 67 HA GLU 67 1.043 16.157 0.835 491 HB2 GLU 67 2HB GLU 67 -0.175 18.505 -0.628 492 HB3 GLU 67 3HB GLU 67 1.537 18.339 -0.267 493 HG2 GLU 67 2HG GLU 67 1.439 16.148 -1.563 494 HG3 GLU 67 3HG GLU 67 -0.144 16.684 -2.126 495 H HIS 68 H HIS 68 -1.117 18.955 1.335 496 HA HIS 68 HA HIS 68 0.407 20.441 3.003 497 HB2 HIS 68 2HB HIS 68 -1.802 21.327 3.936 498 HB3 HIS 68 3HB HIS 68 -1.557 21.419 2.198 499 HD1 HIS 68 HD1 HIS 68 -3.408 20.543 0.806 500 HD2 HIS 68 HD2 HIS 68 -3.519 18.985 4.658 501 HE1 HIS 68 HE1 HIS 68 -5.537 19.227 0.941 502 HE2 HIS 68 HE2 HIS 68 -5.651 18.407 3.316 503 H HIS 69 H HIS 69 1.604 19.076 4.439 504 HA HIS 69 HA HIS 69 0.149 18.409 6.908 505 HB2 HIS 69 2HB HIS 69 2.976 17.840 5.996 506 HB3 HIS 69 3HB HIS 69 2.469 17.613 7.665 507 HD1 HIS 69 HD1 HIS 69 0.758 15.683 8.133 508 HD2 HIS 69 HD2 HIS 69 2.195 15.841 4.236 509 HE1 HIS 69 HE1 HIS 69 0.191 13.462 7.117 510 HE2 HIS 69 HE2 HIS 69 1.284 13.502 4.854 511 H HIS 70 H HIS 70 0.084 19.844 8.537 512 HA HIS 70 HA HIS 70 1.248 22.436 8.180 513 HB2 HIS 70 2HB HIS 70 -0.242 21.289 10.555 514 HB3 HIS 70 3HB HIS 70 0.152 22.990 10.325 515 HD1 HIS 70 HD1 HIS 70 -2.661 21.011 10.148 516 HD2 HIS 70 HD2 HIS 70 -0.943 23.644 7.432 517 HE1 HIS 70 HE1 HIS 70 -4.503 21.640 8.566 518 HE2 HIS 70 HE2 HIS 70 -3.387 23.060 6.822 519 H HIS 71 H HIS 71 3.089 23.266 8.971 520 HA HIS 71 HA HIS 71 5.049 21.638 10.212 521 HB2 HIS 71 2HB HIS 71 5.646 23.529 8.769 522 HB3 HIS 71 3HB HIS 71 4.923 24.655 9.914 523 HD1 HIS 71 HD1 HIS 71 6.413 25.538 11.713 524 HD2 HIS 71 HD2 HIS 71 8.022 22.202 9.833 525 HE1 HIS 71 HE1 HIS 71 8.730 25.303 12.632 526 HE2 HIS 71 HE2 HIS 71 9.639 23.212 11.577 527 H HIS 72 H HIS 72 3.022 24.281 11.476 528 HA HIS 72 HA HIS 72 3.134 23.052 14.124 529 HB2 HIS 72 2HB HIS 72 4.952 24.732 14.134 530 HB3 HIS 72 3HB HIS 72 3.796 25.981 13.683 531 HD1 HIS 72 HD1 HIS 72 2.347 26.966 15.531 532 HD2 HIS 72 HD2 HIS 72 4.695 23.785 16.813 533 HE1 HIS 72 HE1 HIS 72 2.155 26.956 18.028 534 HE2 HIS 72 HE2 HIS 72 3.456 24.939 18.771 535 H HIS 73 H HIS 73 1.169 23.019 15.029 536 HA HIS 73 HA HIS 73 -1.094 24.138 13.701 537 HB2 HIS 73 2HB HIS 73 -1.240 22.006 14.882 538 HB3 HIS 73 3HB HIS 73 -0.855 22.796 16.408 539 HD1 HIS 73 HD1 HIS 73 -2.715 24.209 17.518 540 HD2 HIS 73 HD2 HIS 73 -3.896 22.302 14.020 541 HE1 HIS 73 HE1 HIS 73 -5.215 24.373 17.476 542 HE2 HIS 73 HE2 HIS 73 -5.887 23.385 15.266 Start of MODEL 4 1 H1 MET 1 1H MET 1 -16.264 13.094 0.909 2 H2 MET 1 2H MET 1 -17.164 13.984 -0.205 3 H3 MET 1 3H MET 1 -15.493 13.837 -0.402 4 HA MET 1 HA MET 1 -17.479 11.652 -0.574 5 HB2 MET 1 2HB MET 1 -15.871 13.084 -2.696 6 HB3 MET 1 3HB MET 1 -16.730 11.575 -2.983 7 HG2 MET 1 2HG MET 1 -18.840 12.670 -2.385 8 HG3 MET 1 3HG MET 1 -17.973 14.184 -2.128 9 HE1 MET 1 3HE MET 1 -20.540 13.481 -4.177 10 HE2 MET 1 1HE MET 1 -20.115 14.606 -5.470 11 HE3 MET 1 2HE MET 1 -19.963 15.101 -3.785 12 H THR 2 H THR 2 -16.236 9.867 -2.056 13 HA THR 2 HA THR 2 -14.612 8.549 -0.190 14 HB THR 2 HB THR 2 -15.962 7.334 -1.828 15 HG1 THR 2 HG1 THR 2 -14.576 5.697 -1.851 16 HG21 THR 2 3HG2 THR 2 -15.225 7.095 -4.151 17 HG22 THR 2 1HG2 THR 2 -13.911 8.235 -3.862 18 HG23 THR 2 2HG2 THR 2 -15.587 8.782 -3.781 19 H GLN 3 H GLN 3 -12.499 7.401 -1.015 20 HA GLN 3 HA GLN 3 -10.553 9.585 -1.238 21 HB2 GLN 3 2HB GLN 3 -10.099 6.687 -0.491 22 HB3 GLN 3 3HB GLN 3 -8.968 8.017 -0.285 23 HG2 GLN 3 2HG GLN 3 -10.367 9.018 1.397 24 HG3 GLN 3 3HG GLN 3 -11.629 7.821 1.116 25 HE21 GLN 3 1HE2 GLN 3 -8.218 7.054 1.197 26 HE22 GLN 3 2HE2 GLN 3 -8.271 6.143 2.661 27 H LYS 4 H LYS 4 -8.535 9.226 -2.472 28 HA LYS 4 HA LYS 4 -8.957 7.975 -5.048 29 HB2 LYS 4 2HB LYS 4 -6.554 9.360 -3.836 30 HB3 LYS 4 3HB LYS 4 -6.568 8.685 -5.460 31 HG2 LYS 4 2HG LYS 4 -8.446 10.195 -6.033 32 HG3 LYS 4 3HG LYS 4 -8.322 10.911 -4.427 33 HD2 LYS 4 2HD LYS 4 -7.167 12.270 -6.119 34 HD3 LYS 4 3HD LYS 4 -6.045 11.649 -4.906 35 HE2 LYS 4 2HE LYS 4 -5.115 11.476 -7.166 36 HE3 LYS 4 3HE LYS 4 -5.331 9.888 -6.437 37 HZ1 LYS 4 3HZ LYS 4 -7.221 11.126 -8.362 38 HZ2 LYS 4 1HZ LYS 4 -7.302 9.553 -7.743 39 HZ3 LYS 4 2HZ LYS 4 -6.037 9.995 -8.776 40 H PHE 5 H PHE 5 -6.600 7.465 -2.399 41 HA PHE 5 HA PHE 5 -5.912 4.834 -3.405 42 HB2 PHE 5 2HB PHE 5 -5.102 6.319 -0.893 43 HB3 PHE 5 3HB PHE 5 -4.535 4.702 -1.291 44 HD1 PHE 5 HD1 PHE 5 -4.323 8.261 -2.130 45 HD2 PHE 5 HD2 PHE 5 -2.939 4.344 -3.072 46 HE1 PHE 5 HE1 PHE 5 -2.479 9.227 -3.437 47 HE2 PHE 5 HE2 PHE 5 -1.093 5.307 -4.379 48 HZ PHE 5 HZ PHE 5 -0.859 7.749 -4.559 49 H THR 6 H THR 6 -7.254 3.187 -3.124 50 HA THR 6 HA THR 6 -8.824 3.004 -0.615 51 HB THR 6 HB THR 6 -10.330 3.291 -2.484 52 HG1 THR 6 HG1 THR 6 -11.613 1.719 -1.831 53 HG21 THR 6 3HG2 THR 6 -8.957 0.900 -3.739 54 HG22 THR 6 1HG2 THR 6 -8.870 2.568 -4.310 55 HG23 THR 6 2HG2 THR 6 -10.403 1.697 -4.362 56 H LYS 7 H LYS 7 -9.412 0.725 -0.005 57 HA LYS 7 HA LYS 7 -7.038 -0.850 0.220 58 HB2 LYS 7 2HB LYS 7 -8.478 -2.453 1.427 59 HB3 LYS 7 3HB LYS 7 -8.664 -0.808 2.022 60 HG2 LYS 7 2HG LYS 7 -10.753 -0.571 0.801 61 HG3 LYS 7 3HG LYS 7 -10.556 -2.184 0.112 62 HD2 LYS 7 2HD LYS 7 -12.122 -2.240 1.977 63 HD3 LYS 7 3HD LYS 7 -10.664 -3.155 2.369 64 HE2 LYS 7 2HE LYS 7 -9.817 -1.154 3.597 65 HE3 LYS 7 3HE LYS 7 -11.364 -0.365 3.298 66 HZ1 LYS 7 3HZ LYS 7 -12.471 -2.070 4.561 67 HZ2 LYS 7 1HZ LYS 7 -11.227 -1.405 5.495 68 HZ3 LYS 7 2HZ LYS 7 -11.025 -2.920 4.770 69 H ASP 8 H ASP 8 -9.507 -0.690 -2.111 70 HA ASP 8 HA ASP 8 -9.427 -3.423 -3.006 71 HB2 ASP 8 2HB ASP 8 -11.469 -2.158 -3.222 72 HB3 ASP 8 3HB ASP 8 -10.654 -0.910 -4.155 73 H MET 9 H MET 9 -7.651 -0.516 -3.809 74 HA MET 9 HA MET 9 -6.807 -1.459 -6.409 75 HB2 MET 9 2HB MET 9 -5.409 0.528 -6.503 76 HB3 MET 9 3HB MET 9 -7.026 0.954 -5.961 77 HG2 MET 9 2HG MET 9 -6.149 0.927 -3.617 78 HG3 MET 9 3HG MET 9 -4.533 0.733 -4.291 79 HE1 MET 9 3HE MET 9 -3.352 2.595 -5.850 80 HE2 MET 9 1HE MET 9 -4.165 4.078 -6.347 81 HE3 MET 9 2HE MET 9 -4.746 2.517 -6.929 82 H THR 10 H THR 10 -4.651 -2.034 -7.004 83 HA THR 10 HA THR 10 -3.422 -3.754 -5.025 84 HB THR 10 HB THR 10 -2.053 -4.618 -6.826 85 HG1 THR 10 HG1 THR 10 -2.528 -3.597 -9.003 86 HG21 THR 10 3HG2 THR 10 -3.799 -5.353 -8.400 87 HG22 THR 10 1HG2 THR 10 -4.888 -4.127 -7.754 88 HG23 THR 10 2HG2 THR 10 -4.342 -5.452 -6.725 89 H PHE 11 H PHE 11 -1.140 -3.798 -4.578 90 HA PHE 11 HA PHE 11 0.036 -1.413 -3.798 91 HB2 PHE 11 2HB PHE 11 1.350 -4.047 -4.513 92 HB3 PHE 11 3HB PHE 11 2.190 -2.719 -3.720 93 HD1 PHE 11 HD2 PHE 11 1.691 -2.129 -1.412 94 HD2 PHE 11 HD1 PHE 11 -0.253 -5.411 -3.313 95 HE1 PHE 11 HE2 PHE 11 0.948 -2.956 0.778 96 HE2 PHE 11 HE1 PHE 11 -0.999 -6.240 -1.119 97 HZ PHE 11 HZ PHE 11 -0.400 -5.013 0.929 98 H ALA 12 H ALA 12 0.507 -3.193 -6.837 99 HA ALA 12 HA ALA 12 2.509 -1.628 -7.988 100 HB1 ALA 12 3HB ALA 12 1.745 -3.759 -8.927 101 HB2 ALA 12 1HB ALA 12 1.728 -2.479 -10.141 102 HB3 ALA 12 2HB ALA 12 0.220 -3.009 -9.396 103 H GLN 13 H GLN 13 -1.038 -1.229 -8.222 104 HA GLN 13 HA GLN 13 -1.061 1.061 -9.842 105 HB2 GLN 13 2HB GLN 13 -3.022 0.291 -7.666 106 HB3 GLN 13 3HB GLN 13 -3.316 1.485 -8.924 107 HG2 GLN 13 2HG GLN 13 -3.161 -0.255 -10.628 108 HG3 GLN 13 3HG GLN 13 -2.828 -1.455 -9.381 109 HE21 GLN 13 1HE2 GLN 13 -5.145 1.167 -9.085 110 HE22 GLN 13 2HE2 GLN 13 -6.544 0.158 -9.021 111 H ALA 14 H ALA 14 -1.029 0.791 -6.288 112 HA ALA 14 HA ALA 14 -1.189 3.486 -5.622 113 HB1 ALA 14 3HB ALA 14 -1.361 1.667 -3.991 114 HB2 ALA 14 1HB ALA 14 -0.170 2.868 -3.490 115 HB3 ALA 14 2HB ALA 14 0.360 1.332 -4.178 116 H LEU 15 H LEU 15 1.768 1.539 -6.102 117 HA LEU 15 HA LEU 15 3.638 3.598 -5.761 118 HB2 LEU 15 2HB LEU 15 3.827 1.132 -7.505 119 HB3 LEU 15 3HB LEU 15 5.185 2.143 -7.043 120 HG LEU 15 HG LEU 15 3.472 0.531 -5.138 121 HD11 LEU 15 1HD1 LEU 15 4.880 -0.890 -6.529 122 HD12 LEU 15 2HD1 LEU 15 5.463 -0.867 -4.865 123 HD13 LEU 15 3HD1 LEU 15 6.297 0.072 -6.105 124 HD21 LEU 15 3HD2 LEU 15 4.320 2.562 -4.096 125 HD22 LEU 15 1HD2 LEU 15 5.954 2.177 -4.635 126 HD23 LEU 15 2HD2 LEU 15 5.145 1.142 -3.457 127 H GLN 16 H GLN 16 1.896 2.545 -8.654 128 HA GLN 16 HA GLN 16 3.292 4.390 -10.397 129 HB2 GLN 16 2HB GLN 16 0.902 2.591 -10.870 130 HB3 GLN 16 3HB GLN 16 1.686 3.550 -12.121 131 HG2 GLN 16 2HG GLN 16 3.012 1.376 -10.499 132 HG3 GLN 16 3HG GLN 16 2.397 1.194 -12.141 133 HE21 GLN 16 1HE2 GLN 16 4.883 2.591 -10.155 134 HE22 GLN 16 2HE2 GLN 16 5.951 3.021 -11.440 135 H THR 17 H THR 17 0.930 4.893 -8.140 136 HA THR 17 HA THR 17 -0.373 7.046 -9.675 137 HB THR 17 HB THR 17 -1.048 5.997 -6.908 138 HG1 THR 17 HG1 THR 17 -1.511 4.635 -8.836 139 HG21 THR 17 3HG2 THR 17 -1.691 8.345 -7.155 140 HG22 THR 17 1HG2 THR 17 -3.118 7.310 -7.141 141 HG23 THR 17 2HG2 THR 17 -2.524 7.973 -8.664 142 H HIS 18 H HIS 18 1.530 6.500 -6.723 143 HA HIS 18 HA HIS 18 2.644 9.184 -6.957 144 HB2 HIS 18 2HB HIS 18 1.122 8.250 -4.521 145 HB3 HIS 18 3HB HIS 18 2.345 9.511 -4.423 146 HD1 HIS 18 HD1 HIS 18 -1.108 8.847 -5.690 147 HD2 HIS 18 HD2 HIS 18 1.583 11.998 -5.483 148 HE1 HIS 18 HE1 HIS 18 -2.442 10.897 -6.232 149 HE2 HIS 18 HE2 HIS 18 -0.765 12.767 -6.250 150 HA PRO 19 HA PRO 19 6.256 6.505 -6.283 151 HB2 PRO 19 2HB PRO 19 7.401 9.249 -5.882 152 HB3 PRO 19 3HB PRO 19 8.046 7.887 -6.807 153 HG2 PRO 19 2HG PRO 19 6.861 9.901 -8.064 154 HG3 PRO 19 3HG PRO 19 6.583 8.228 -8.584 155 HD2 PRO 19 2HD PRO 19 4.784 10.063 -7.061 156 HD3 PRO 19 3HD PRO 19 4.374 8.810 -8.252 157 H GLY 20 H GLY 20 5.333 9.203 -4.151 158 HA2 GLY 20 2HA GLY 20 6.974 8.684 -1.961 159 HA3 GLY 20 3HA GLY 20 5.390 9.437 -1.866 160 H VAL 21 H VAL 21 4.128 6.945 -2.992 161 HA VAL 21 HA VAL 21 3.350 5.665 -0.652 162 HB VAL 21 HB VAL 21 3.348 4.587 -3.484 163 HG11 VAL 21 1HG1 VAL 21 3.165 2.737 -1.913 164 HG12 VAL 21 2HG1 VAL 21 1.622 3.011 -2.720 165 HG13 VAL 21 3HG1 VAL 21 1.858 3.563 -1.061 166 HG21 VAL 21 3HG2 VAL 21 1.176 5.933 -1.864 167 HG22 VAL 21 1HG2 VAL 21 0.982 5.262 -3.485 168 HG23 VAL 21 2HG2 VAL 21 2.052 6.639 -3.222 169 H ALA 22 H ALA 22 6.088 4.974 -2.761 170 HA ALA 22 HA ALA 22 6.802 2.428 -1.906 171 HB1 ALA 22 3HB ALA 22 8.667 4.690 -2.633 172 HB2 ALA 22 1HB ALA 22 7.888 3.586 -3.768 173 HB3 ALA 22 2HB ALA 22 9.073 2.973 -2.615 174 H GLY 23 H GLY 23 7.696 5.561 -0.468 175 HA2 GLY 23 2HA GLY 23 9.277 4.492 1.641 176 HA3 GLY 23 3HA GLY 23 8.579 6.104 1.588 177 H VAL 24 H VAL 24 5.867 5.465 1.470 178 HA VAL 24 HA VAL 24 5.179 5.089 4.154 179 HB VAL 24 HB VAL 24 3.421 4.618 1.730 180 HG11 VAL 24 1HG1 VAL 24 2.446 3.687 3.769 181 HG12 VAL 24 2HG1 VAL 24 1.551 5.114 3.246 182 HG13 VAL 24 3HG1 VAL 24 2.678 5.228 4.597 183 HG21 VAL 24 3HG2 VAL 24 3.895 7.136 3.339 184 HG22 VAL 24 1HG2 VAL 24 2.704 6.953 2.049 185 HG23 VAL 24 2HG2 VAL 24 4.425 6.840 1.682 186 H LEU 25 H LEU 25 4.868 2.777 1.440 187 HA LEU 25 HA LEU 25 3.940 0.576 2.880 188 HB2 LEU 25 2HB LEU 25 5.734 0.595 0.444 189 HB3 LEU 25 3HB LEU 25 4.866 -0.808 1.036 190 HG LEU 25 HG LEU 25 3.641 1.718 -0.085 191 HD11 LEU 25 1HD1 LEU 25 3.705 -1.105 -1.156 192 HD12 LEU 25 2HD1 LEU 25 4.626 0.264 -1.777 193 HD13 LEU 25 3HD1 LEU 25 2.867 0.266 -1.889 194 HD21 LEU 25 3HD2 LEU 25 2.275 -0.761 0.975 195 HD22 LEU 25 1HD2 LEU 25 1.484 0.593 0.168 196 HD23 LEU 25 2HD2 LEU 25 2.265 0.833 1.730 197 H ARG 26 H ARG 26 7.319 1.449 2.111 198 HA ARG 26 HA ARG 26 8.587 -0.676 3.417 199 HB2 ARG 26 2HB ARG 26 9.489 2.172 2.958 200 HB3 ARG 26 3HB ARG 26 10.541 0.926 3.622 201 HG2 ARG 26 2HG ARG 26 10.320 -0.384 1.587 202 HG3 ARG 26 3HG ARG 26 9.201 0.808 0.919 203 HD2 ARG 26 2HD ARG 26 11.519 1.051 0.058 204 HD3 ARG 26 3HD ARG 26 10.929 2.490 0.892 205 HE ARG 26 HE ARG 26 12.349 0.806 2.677 206 HH11 ARG 26 1HH1 ARG 26 12.855 3.042 0.102 207 HH12 ARG 26 2HH1 ARG 26 14.421 3.496 0.672 208 HH21 ARG 26 1HH2 ARG 26 14.339 1.419 3.404 209 HH22 ARG 26 2HH2 ARG 26 15.248 2.599 2.518 210 H SER 27 H SER 27 7.374 2.376 4.721 211 HA SER 27 HA SER 27 8.531 2.223 7.285 212 HB2 SER 27 2HB SER 27 7.447 4.259 6.323 213 HB3 SER 27 3HB SER 27 5.875 3.499 6.570 214 HG SER 27 HG SER 27 6.105 4.595 8.400 215 H TYR 28 H TYR 28 5.444 0.956 6.059 216 HA TYR 28 HA TYR 28 4.749 -0.205 8.636 217 HB2 TYR 28 2HB TYR 28 3.409 -0.376 5.925 218 HB3 TYR 28 3HB TYR 28 2.778 -1.126 7.386 219 HD1 TYR 28 HD2 TYR 28 1.926 0.287 9.239 220 HD2 TYR 28 HD1 TYR 28 3.161 1.983 5.533 221 HE1 TYR 28 HE2 TYR 28 0.720 2.359 9.786 222 HE2 TYR 28 HE1 TYR 28 1.959 4.054 6.075 223 HH TYR 28 HH TYR 28 0.666 4.673 9.198 224 H ASN 29 H ASN 29 6.971 -1.112 6.455 225 HA ASN 29 HA ASN 29 8.041 -3.025 5.873 226 HB2 ASN 29 2HB ASN 29 7.731 -3.636 8.292 227 HB3 ASN 29 3HB ASN 29 6.251 -4.474 7.844 228 HD21 ASN 29 1HD2 ASN 29 8.491 -5.650 9.092 229 HD22 ASN 29 2HD2 ASN 29 9.134 -6.840 8.015 230 H LEU 30 H LEU 30 6.582 -2.390 3.948 231 HA LEU 30 HA LEU 30 5.183 -4.845 3.093 232 HB2 LEU 30 2HB LEU 30 4.431 -1.975 2.519 233 HB3 LEU 30 3HB LEU 30 3.776 -3.333 1.621 234 HG LEU 30 HG LEU 30 3.454 -2.962 4.608 235 HD11 LEU 30 1HD1 LEU 30 1.152 -2.318 4.123 236 HD12 LEU 30 2HD1 LEU 30 1.480 -2.402 2.393 237 HD13 LEU 30 3HD1 LEU 30 2.290 -1.190 3.385 238 HD21 LEU 30 3HD2 LEU 30 3.339 -5.289 3.901 239 HD22 LEU 30 1HD2 LEU 30 2.152 -4.874 2.663 240 HD23 LEU 30 2HD2 LEU 30 1.741 -4.711 4.371 241 H GLY 31 H GLY 31 7.943 -3.234 2.682 242 HA2 GLY 31 2HA GLY 31 8.173 -2.853 -0.117 243 HA3 GLY 31 3HA GLY 31 9.510 -3.087 0.997 244 H CYS 32 H CYS 32 8.243 -5.716 1.814 245 HA CYS 32 HA CYS 32 9.721 -7.381 0.038 246 HB2 CYS 32 2HB CYS 32 7.745 -8.149 2.199 247 HB3 CYS 32 3HB CYS 32 8.895 -9.236 1.426 248 HG CYS 32 HG CYS 32 9.632 -8.434 4.105 249 H ILE 33 H ILE 33 6.725 -6.011 -0.434 250 HA ILE 33 HA ILE 33 5.092 -8.022 -1.441 251 HB ILE 33 HB ILE 33 4.133 -6.265 -2.975 252 HG12 ILE 33 2HG1 ILE 33 6.229 -4.525 -1.639 253 HG13 ILE 33 3HG1 ILE 33 6.181 -4.958 -3.343 254 HG21 ILE 33 1HG2 ILE 33 4.420 -5.577 -0.051 255 HG22 ILE 33 2HG2 ILE 33 3.212 -6.641 -0.772 256 HG23 ILE 33 3HG2 ILE 33 3.197 -4.917 -1.137 257 HD11 ILE 33 3HD1 ILE 33 5.392 -2.694 -2.980 258 HD12 ILE 33 1HD1 ILE 33 4.140 -3.287 -1.889 259 HD13 ILE 33 2HD1 ILE 33 4.096 -3.716 -3.600 260 H GLY 34 H GLY 34 7.851 -6.457 -2.982 261 HA2 GLY 34 2HA GLY 34 7.478 -7.510 -5.589 262 HA3 GLY 34 3HA GLY 34 9.002 -6.960 -4.911 263 H CYS 35 H CYS 35 9.012 -8.822 -2.702 264 HA CYS 35 HA CYS 35 10.207 -11.076 -4.025 265 HB2 CYS 35 2HB CYS 35 9.675 -10.615 -1.077 266 HB3 CYS 35 3HB CYS 35 10.721 -11.862 -1.748 267 HG CYS 35 HG CYS 35 12.851 -10.442 -1.838 268 H MET 36 H MET 36 7.385 -10.675 -1.877 269 HA MET 36 HA MET 36 6.561 -13.413 -2.126 270 HB2 MET 36 2HB MET 36 4.567 -12.713 -0.874 271 HB3 MET 36 3HB MET 36 6.038 -12.122 -0.118 272 HG2 MET 36 2HG MET 36 5.650 -9.920 -1.198 273 HG3 MET 36 3HG MET 36 4.113 -10.532 -1.803 274 HE1 MET 36 3HE MET 36 2.162 -11.178 1.551 275 HE2 MET 36 1HE MET 36 3.201 -12.342 0.729 276 HE3 MET 36 2HE MET 36 2.121 -11.310 -0.207 277 H GLY 37 H GLY 37 6.335 -10.835 -4.244 278 HA2 GLY 37 2HA GLY 37 5.332 -10.666 -6.307 279 HA3 GLY 37 3HA GLY 37 4.700 -12.286 -6.076 280 H ALA 38 H ALA 38 4.052 -9.588 -3.909 281 HA ALA 38 HA ALA 38 1.194 -9.977 -4.260 282 HB1 ALA 38 3HB ALA 38 2.166 -9.718 -2.021 283 HB2 ALA 38 1HB ALA 38 0.957 -8.479 -2.364 284 HB3 ALA 38 2HB ALA 38 2.673 -8.080 -2.437 285 H GLN 39 H GLN 39 2.915 -8.617 -6.386 286 HA GLN 39 HA GLN 39 2.346 -5.854 -6.461 287 HB2 GLN 39 2HB GLN 39 2.950 -7.758 -8.736 288 HB3 GLN 39 3HB GLN 39 2.959 -6.004 -8.866 289 HG2 GLN 39 2HG GLN 39 4.773 -7.652 -7.105 290 HG3 GLN 39 3HG GLN 39 5.215 -6.911 -8.643 291 HE21 GLN 39 1HE2 GLN 39 4.505 -6.338 -5.293 292 HE22 GLN 39 2HE2 GLN 39 5.076 -4.712 -5.247 293 H ASN 40 H ASN 40 0.510 -8.640 -7.616 294 HA ASN 40 HA ASN 40 -1.482 -6.906 -8.890 295 HB2 ASN 40 2HB ASN 40 -1.515 -9.927 -8.714 296 HB3 ASN 40 3HB ASN 40 -2.431 -8.908 -9.817 297 HD21 ASN 40 1HD2 ASN 40 0.637 -10.327 -9.116 298 HD22 ASN 40 2HD2 ASN 40 1.379 -9.969 -10.634 299 H GLU 41 H GLU 41 -0.948 -7.669 -5.815 300 HA GLU 41 HA GLU 41 -3.677 -8.511 -5.144 301 HB2 GLU 41 2HB GLU 41 -1.791 -9.807 -4.208 302 HB3 GLU 41 3HB GLU 41 -1.219 -8.363 -3.382 303 HG2 GLU 41 2HG GLU 41 -2.992 -8.368 -1.874 304 HG3 GLU 41 3HG GLU 41 -3.994 -9.389 -2.904 305 H SER 42 H SER 42 -4.944 -7.408 -3.614 306 HA SER 42 HA SER 42 -4.807 -4.561 -3.830 307 HB2 SER 42 2HB SER 42 -6.869 -4.551 -2.520 308 HB3 SER 42 3HB SER 42 -6.949 -5.798 -3.763 309 HG SER 42 HG SER 42 -7.671 -6.585 -1.756 310 H LEU 43 H LEU 43 -4.751 -3.031 -2.093 311 HA LEU 43 HA LEU 43 -2.560 -3.236 -0.430 312 HB2 LEU 43 2HB LEU 43 -4.994 -1.473 -0.162 313 HB3 LEU 43 3HB LEU 43 -3.534 -1.265 0.788 314 HG LEU 43 HG LEU 43 -3.702 -1.049 -2.226 315 HD11 LEU 43 1HD1 LEU 43 -3.359 1.106 -0.142 316 HD12 LEU 43 2HD1 LEU 43 -4.821 0.803 -1.080 317 HD13 LEU 43 3HD1 LEU 43 -3.348 1.332 -1.892 318 HD21 LEU 43 3HD2 LEU 43 -1.402 -0.179 -2.054 319 HD22 LEU 43 1HD2 LEU 43 -1.526 -1.859 -1.529 320 HD23 LEU 43 2HD2 LEU 43 -1.398 -0.568 -0.333 321 H GLU 44 H GLU 44 -5.976 -3.807 0.493 322 HA GLU 44 HA GLU 44 -5.427 -4.082 3.258 323 HB2 GLU 44 2HB GLU 44 -7.683 -3.588 2.484 324 HB3 GLU 44 3HB GLU 44 -7.770 -5.147 1.671 325 HG2 GLU 44 2HG GLU 44 -7.707 -6.317 3.770 326 HG3 GLU 44 3HG GLU 44 -7.405 -4.820 4.648 327 H GLN 45 H GLN 45 -5.758 -6.532 0.688 328 HA GLN 45 HA GLN 45 -5.600 -8.800 2.331 329 HB2 GLN 45 2HB GLN 45 -4.751 -8.403 -0.544 330 HB3 GLN 45 3HB GLN 45 -4.801 -9.973 0.251 331 HG2 GLN 45 2HG GLN 45 -7.200 -9.727 0.617 332 HG3 GLN 45 3HG GLN 45 -7.162 -8.134 -0.136 333 HE21 GLN 45 1HE2 GLN 45 -8.639 -8.766 -1.717 334 HE22 GLN 45 2HE2 GLN 45 -8.219 -9.838 -3.003 335 H GLY 46 H GLY 46 -2.957 -7.176 0.522 336 HA2 GLY 46 2HA GLY 46 -0.854 -8.725 1.598 337 HA3 GLY 46 3HA GLY 46 -0.681 -7.128 0.889 338 H ALA 47 H ALA 47 -2.329 -5.712 2.765 339 HA ALA 47 HA ALA 47 -0.489 -5.106 4.789 340 HB1 ALA 47 3HB ALA 47 -2.210 -3.539 4.050 341 HB2 ALA 47 1HB ALA 47 -2.270 -3.769 5.798 342 HB3 ALA 47 2HB ALA 47 -3.461 -4.559 4.762 343 H ASN 48 H ASN 48 -3.612 -6.830 5.134 344 HA ASN 48 HA ASN 48 -3.209 -7.607 7.813 345 HB2 ASN 48 2HB ASN 48 -4.991 -8.715 5.645 346 HB3 ASN 48 3HB ASN 48 -4.973 -9.385 7.273 347 HD21 ASN 48 1HD2 ASN 48 -5.813 -6.635 5.324 348 HD22 ASN 48 2HD2 ASN 48 -6.761 -5.829 6.520 349 H ALA 49 H ALA 49 -2.214 -9.124 4.790 350 HA ALA 49 HA ALA 49 -1.344 -11.592 5.843 351 HB1 ALA 49 3HB ALA 49 0.030 -11.775 3.837 352 HB2 ALA 49 1HB ALA 49 -0.189 -10.055 3.512 353 HB3 ALA 49 2HB ALA 49 -1.570 -11.149 3.436 354 H HIS 50 H HIS 50 0.070 -8.405 5.948 355 HA HIS 50 HA HIS 50 2.529 -9.443 7.201 356 HB2 HIS 50 2HB HIS 50 1.797 -6.732 6.080 357 HB3 HIS 50 3HB HIS 50 3.252 -7.000 7.031 358 HD1 HIS 50 HD1 HIS 50 4.993 -6.698 5.283 359 HD2 HIS 50 HD2 HIS 50 2.047 -9.374 4.103 360 HE1 HIS 50 HE1 HIS 50 5.811 -7.686 3.133 361 HE2 HIS 50 HE2 HIS 50 4.143 -9.484 2.590 362 H GLY 51 H GLY 51 -0.377 -8.947 8.334 363 HA2 GLY 51 2HA GLY 51 -1.267 -8.429 10.387 364 HA3 GLY 51 3HA GLY 51 0.376 -8.426 11.003 365 H LEU 52 H LEU 52 -1.448 -6.334 8.748 366 HA LEU 52 HA LEU 52 -0.696 -4.006 10.409 367 HB2 LEU 52 2HB LEU 52 -0.833 -4.101 7.390 368 HB3 LEU 52 3HB LEU 52 -0.425 -2.698 8.361 369 HG LEU 52 HG LEU 52 1.219 -5.233 8.200 370 HD11 LEU 52 1HD1 LEU 52 2.802 -3.881 6.921 371 HD12 LEU 52 2HD1 LEU 52 1.682 -2.520 6.964 372 HD13 LEU 52 3HD1 LEU 52 1.244 -3.994 6.099 373 HD21 LEU 52 3HD2 LEU 52 1.787 -2.581 9.530 374 HD22 LEU 52 1HD2 LEU 52 2.917 -3.928 9.394 375 HD23 LEU 52 2HD2 LEU 52 1.446 -4.106 10.351 376 H ASN 53 H ASN 53 -2.068 -2.094 10.080 377 HA ASN 53 HA ASN 53 -4.882 -2.814 9.596 378 HB2 ASN 53 2HB ASN 53 -4.394 -1.807 11.778 379 HB3 ASN 53 3HB ASN 53 -3.670 -0.407 10.991 380 HD21 ASN 53 1HD2 ASN 53 -5.110 1.022 11.924 381 HD22 ASN 53 2HD2 ASN 53 -6.775 1.095 11.479 382 H VAL 54 H VAL 54 -5.268 -2.588 7.439 383 HA VAL 54 HA VAL 54 -3.954 -0.851 5.690 384 HB VAL 54 HB VAL 54 -5.233 -2.833 4.957 385 HG11 VAL 54 1HG1 VAL 54 -7.678 -1.137 5.483 386 HG12 VAL 54 2HG1 VAL 54 -7.195 -2.569 6.390 387 HG13 VAL 54 3HG1 VAL 54 -7.663 -2.716 4.696 388 HG21 VAL 54 3HG2 VAL 54 -4.606 -1.133 3.320 389 HG22 VAL 54 1HG2 VAL 54 -6.097 -0.248 3.642 390 HG23 VAL 54 2HG2 VAL 54 -6.162 -1.848 2.900 391 H GLU 55 H GLU 55 -6.789 -0.277 7.686 392 HA GLU 55 HA GLU 55 -7.881 1.967 6.446 393 HB2 GLU 55 2HB GLU 55 -7.692 1.513 9.435 394 HB3 GLU 55 3HB GLU 55 -8.864 2.519 8.598 395 HG2 GLU 55 2HG GLU 55 -8.645 -0.484 8.454 396 HG3 GLU 55 3HG GLU 55 -9.890 0.445 9.285 397 H ASP 56 H ASP 56 -5.303 1.804 8.883 398 HA ASP 56 HA ASP 56 -4.867 4.614 9.024 399 HB2 ASP 56 2HB ASP 56 -4.233 3.032 10.834 400 HB3 ASP 56 3HB ASP 56 -2.987 2.359 9.786 401 H ILE 57 H ILE 57 -3.371 1.985 7.187 402 HA ILE 57 HA ILE 57 -1.278 3.421 5.993 403 HB ILE 57 HB ILE 57 -2.856 1.117 4.812 404 HG12 ILE 57 2HG1 ILE 57 -0.303 1.102 6.457 405 HG13 ILE 57 3HG1 ILE 57 -1.892 0.603 7.030 406 HG21 ILE 57 1HG2 ILE 57 -1.558 2.242 3.099 407 HG22 ILE 57 2HG2 ILE 57 -0.815 0.690 3.481 408 HG23 ILE 57 3HG2 ILE 57 -0.113 2.181 4.110 409 HD11 ILE 57 3HD1 ILE 57 -1.902 -1.209 5.382 410 HD12 ILE 57 1HD1 ILE 57 -0.531 -1.318 6.487 411 HD13 ILE 57 2HD1 ILE 57 -0.296 -0.718 4.846 412 H LEU 58 H LEU 58 -4.621 2.879 4.843 413 HA LEU 58 HA LEU 58 -4.486 4.253 2.421 414 HB2 LEU 58 2HB LEU 58 -6.817 4.026 4.331 415 HB3 LEU 58 3HB LEU 58 -6.942 4.581 2.671 416 HG LEU 58 HG LEU 58 -6.112 1.813 3.565 417 HD11 LEU 58 1HD1 LEU 58 -8.207 1.094 2.556 418 HD12 LEU 58 2HD1 LEU 58 -8.606 2.766 2.161 419 HD13 LEU 58 3HD1 LEU 58 -8.498 2.260 3.848 420 HD21 LEU 58 3HD2 LEU 58 -6.170 1.242 1.173 421 HD22 LEU 58 1HD2 LEU 58 -4.922 2.434 1.539 422 HD23 LEU 58 2HD2 LEU 58 -6.432 2.943 0.783 423 H ARG 59 H ARG 59 -5.251 5.488 5.660 424 HA ARG 59 HA ARG 59 -5.703 8.163 5.116 425 HB2 ARG 59 2HB ARG 59 -5.977 7.350 7.353 426 HB3 ARG 59 3HB ARG 59 -4.300 6.831 7.441 427 HG2 ARG 59 2HG ARG 59 -3.730 9.335 7.153 428 HG3 ARG 59 3HG ARG 59 -5.415 9.611 7.596 429 HD2 ARG 59 2HD ARG 59 -3.824 9.727 9.515 430 HD3 ARG 59 3HD ARG 59 -5.097 8.523 9.715 431 HE ARG 59 HE ARG 59 -3.483 6.917 9.803 432 HH11 ARG 59 1HH1 ARG 59 -2.092 9.693 8.281 433 HH12 ARG 59 2HH1 ARG 59 -0.538 8.946 8.116 434 HH21 ARG 59 1HH2 ARG 59 -1.497 5.996 9.583 435 HH22 ARG 59 2HH2 ARG 59 -0.208 6.883 8.847 436 H ASP 60 H ASP 60 -2.544 6.632 5.821 437 HA ASP 60 HA ASP 60 -1.035 9.007 5.493 438 HB2 ASP 60 2HB ASP 60 -0.518 6.633 6.625 439 HB3 ASP 60 3HB ASP 60 0.268 6.350 5.076 440 H LEU 61 H LEU 61 -1.990 6.462 3.255 441 HA LEU 61 HA LEU 61 -0.301 7.189 1.094 442 HB2 LEU 61 2HB LEU 61 -2.955 5.749 1.109 443 HB3 LEU 61 3HB LEU 61 -1.939 5.921 -0.311 444 HG LEU 61 HG LEU 61 -1.217 4.436 2.223 445 HD11 LEU 61 1HD1 LEU 61 -2.868 3.267 0.873 446 HD12 LEU 61 2HD1 LEU 61 -1.310 2.444 0.808 447 HD13 LEU 61 3HD1 LEU 61 -1.843 3.433 -0.552 448 HD21 LEU 61 3HD2 LEU 61 0.764 5.460 1.265 449 HD22 LEU 61 1HD2 LEU 61 0.357 4.818 -0.327 450 HD23 LEU 61 2HD2 LEU 61 0.791 3.720 0.982 451 H ASN 62 H ASN 62 -3.746 7.985 1.709 452 HA ASN 62 HA ASN 62 -3.953 9.737 -0.528 453 HB2 ASN 62 2HB ASN 62 -5.661 9.434 1.950 454 HB3 ASN 62 3HB ASN 62 -6.040 10.578 0.664 455 HD21 ASN 62 1HD2 ASN 62 -5.900 7.232 1.558 456 HD22 ASN 62 2HD2 ASN 62 -6.737 6.621 0.177 457 H ALA 63 H ALA 63 -2.882 10.162 2.759 458 HA ALA 63 HA ALA 63 -2.920 12.927 3.043 459 HB1 ALA 63 3HB ALA 63 -2.309 11.405 4.846 460 HB2 ALA 63 1HB ALA 63 -1.063 12.632 4.617 461 HB3 ALA 63 2HB ALA 63 -0.811 10.995 4.010 462 H LEU 64 H LEU 64 -0.792 10.920 1.124 463 HA LEU 64 HA LEU 64 1.259 12.773 0.568 464 HB2 LEU 64 2HB LEU 64 0.182 10.534 -1.153 465 HB3 LEU 64 3HB LEU 64 1.703 11.364 -1.419 466 HG LEU 64 HG LEU 64 1.057 9.718 1.036 467 HD11 LEU 64 1HD1 LEU 64 2.578 8.053 0.108 468 HD12 LEU 64 2HD1 LEU 64 2.773 9.028 -1.350 469 HD13 LEU 64 3HD1 LEU 64 1.204 8.318 -0.965 470 HD21 LEU 64 3HD2 LEU 64 3.633 10.992 0.098 471 HD22 LEU 64 1HD2 LEU 64 3.473 9.901 1.476 472 HD23 LEU 64 2HD2 LEU 64 2.674 11.472 1.500 473 H ALA 65 H ALA 65 -1.983 12.530 -0.659 474 HA ALA 65 HA ALA 65 -1.426 14.476 -2.797 475 HB1 ALA 65 3HB ALA 65 -3.931 12.867 -2.293 476 HB2 ALA 65 1HB ALA 65 -2.648 12.434 -3.424 477 HB3 ALA 65 2HB ALA 65 -3.609 13.888 -3.695 478 H LEU 66 H LEU 66 -3.079 14.141 0.260 479 HA LEU 66 HA LEU 66 -4.656 16.549 -0.029 480 HB2 LEU 66 2HB LEU 66 -4.104 14.832 2.396 481 HB3 LEU 66 3HB LEU 66 -5.267 16.146 2.340 482 HG LEU 66 HG LEU 66 -5.413 13.598 0.709 483 HD11 LEU 66 1HD1 LEU 66 -7.070 14.506 3.066 484 HD12 LEU 66 2HD1 LEU 66 -5.851 13.231 3.089 485 HD13 LEU 66 3HD1 LEU 66 -7.313 13.034 2.124 486 HD21 LEU 66 3HD2 LEU 66 -7.666 14.410 0.097 487 HD22 LEU 66 1HD2 LEU 66 -6.380 15.452 -0.511 488 HD23 LEU 66 2HD2 LEU 66 -7.316 15.939 0.902 489 H GLU 67 H GLU 67 -1.460 15.838 0.981 490 HA GLU 67 HA GLU 67 0.261 17.126 1.710 491 HB2 GLU 67 2HB GLU 67 -1.655 19.436 1.302 492 HB3 GLU 67 3HB GLU 67 0.055 19.608 1.665 493 HG2 GLU 67 2HG GLU 67 0.635 18.536 -0.437 494 HG3 GLU 67 3HG GLU 67 -1.073 18.284 -0.802 495 H HIS 68 H HIS 68 -2.391 19.047 3.088 496 HA HIS 68 HA HIS 68 -2.548 20.045 5.113 497 HB2 HIS 68 2HB HIS 68 -3.236 18.527 6.892 498 HB3 HIS 68 3HB HIS 68 -3.957 18.102 5.350 499 HD1 HIS 68 HD1 HIS 68 -2.175 16.692 8.163 500 HD2 HIS 68 HD2 HIS 68 -2.676 15.722 4.156 501 HE1 HIS 68 HE1 HIS 68 -1.526 14.283 7.968 502 HE2 HIS 68 HE2 HIS 68 -1.571 13.822 5.508 503 H HIS 69 H HIS 69 0.383 19.269 4.387 504 HA HIS 69 HA HIS 69 1.471 20.031 7.027 505 HB2 HIS 69 2HB HIS 69 2.705 18.604 4.673 506 HB3 HIS 69 3HB HIS 69 3.719 19.465 5.821 507 HD1 HIS 69 HD1 HIS 69 4.428 18.205 7.822 508 HD2 HIS 69 HD2 HIS 69 1.156 16.446 5.960 509 HE1 HIS 69 HE1 HIS 69 4.074 16.024 9.005 510 HE2 HIS 69 HE2 HIS 69 2.184 14.916 7.777 511 H HIS 70 H HIS 70 2.280 20.495 3.604 512 HA HIS 70 HA HIS 70 3.348 23.096 3.852 513 HB2 HIS 70 2HB HIS 70 3.887 21.616 1.981 514 HB3 HIS 70 3HB HIS 70 2.207 21.612 1.463 515 HD1 HIS 70 HD1 HIS 70 1.884 23.011 -0.528 516 HD2 HIS 70 HD2 HIS 70 4.861 24.537 1.935 517 HE1 HIS 70 HE1 HIS 70 2.732 25.058 -1.695 518 HE2 HIS 70 HE2 HIS 70 4.648 25.856 -0.280 519 H HIS 71 H HIS 71 0.132 22.014 3.942 520 HA HIS 71 HA HIS 71 -0.881 24.745 3.840 521 HB2 HIS 71 2HB HIS 71 -1.095 23.979 1.522 522 HB3 HIS 71 3HB HIS 71 -1.949 22.537 2.059 523 HD1 HIS 71 HD1 HIS 71 -2.403 26.310 2.159 524 HD2 HIS 71 HD2 HIS 71 -4.654 22.816 2.064 525 HE1 HIS 71 HE1 HIS 71 -4.787 27.052 1.930 526 HE2 HIS 71 HE2 HIS 71 -6.122 24.928 1.773 527 H HIS 72 H HIS 72 -1.681 24.788 5.898 528 HA HIS 72 HA HIS 72 -3.986 23.140 6.496 529 HB2 HIS 72 2HB HIS 72 -2.144 21.682 7.240 530 HB3 HIS 72 3HB HIS 72 -1.532 22.971 8.271 531 HD1 HIS 72 HD1 HIS 72 -2.407 23.009 10.615 532 HD2 HIS 72 HD2 HIS 72 -4.803 20.736 8.088 533 HE1 HIS 72 HE1 HIS 72 -4.125 21.939 12.096 534 HE2 HIS 72 HE2 HIS 72 -5.555 20.563 10.554 535 H HIS 73 H HIS 73 -5.430 24.563 7.215 536 HA HIS 73 HA HIS 73 -4.585 26.942 8.692 537 HB2 HIS 73 2HB HIS 73 -7.226 26.113 7.480 538 HB3 HIS 73 3HB HIS 73 -7.059 27.542 8.494 539 HD1 HIS 73 HD1 HIS 73 -6.404 26.282 5.058 540 HD2 HIS 73 HD2 HIS 73 -5.533 29.646 7.340 541 HE1 HIS 73 HE1 HIS 73 -5.615 28.018 3.429 542 HE2 HIS 73 HE2 HIS 73 -4.951 29.985 4.841 Start of MODEL 5 1 H1 MET 1 1H MET 1 -14.679 13.601 -0.309 2 H2 MET 1 2H MET 1 -16.234 14.107 0.101 3 H3 MET 1 3H MET 1 -15.984 13.240 -1.326 4 HA MET 1 HA MET 1 -15.599 12.216 1.435 5 HB2 MET 1 2HB MET 1 -17.561 10.845 1.045 6 HB3 MET 1 3HB MET 1 -17.970 12.535 0.779 7 HG2 MET 1 2HG MET 1 -17.358 10.528 -1.389 8 HG3 MET 1 3HG MET 1 -18.971 11.042 -0.896 9 HE1 MET 1 3HE MET 1 -20.040 13.337 -1.427 10 HE2 MET 1 1HE MET 1 -19.152 14.720 -2.067 11 HE3 MET 1 2HE MET 1 -18.790 14.115 -0.453 12 H THR 2 H THR 2 -14.246 12.087 -1.536 13 HA THR 2 HA THR 2 -14.113 9.161 -1.769 14 HB THR 2 HB THR 2 -13.162 11.282 -3.715 15 HG1 THR 2 HG1 THR 2 -15.629 10.008 -3.311 16 HG21 THR 2 3HG2 THR 2 -13.117 9.440 -5.351 17 HG22 THR 2 1HG2 THR 2 -13.541 8.297 -4.077 18 HG23 THR 2 2HG2 THR 2 -11.995 9.147 -4.022 19 H GLN 3 H GLN 3 -12.262 7.998 -1.564 20 HA GLN 3 HA GLN 3 -9.779 9.406 -0.839 21 HB2 GLN 3 2HB GLN 3 -10.537 6.485 -0.521 22 HB3 GLN 3 3HB GLN 3 -9.008 7.191 -0.022 23 HG2 GLN 3 2HG GLN 3 -10.182 8.600 1.601 24 HG3 GLN 3 3HG GLN 3 -11.719 7.897 1.101 25 HE21 GLN 3 1HE2 GLN 3 -10.567 5.213 0.812 26 HE22 GLN 3 2HE2 GLN 3 -10.349 4.624 2.415 27 H LYS 4 H LYS 4 -8.011 9.348 -2.165 28 HA LYS 4 HA LYS 4 -8.196 8.310 -4.815 29 HB2 LYS 4 2HB LYS 4 -5.826 9.343 -3.235 30 HB3 LYS 4 3HB LYS 4 -5.741 8.894 -4.933 31 HG2 LYS 4 2HG LYS 4 -7.483 11.070 -3.776 32 HG3 LYS 4 3HG LYS 4 -5.965 11.311 -4.643 33 HD2 LYS 4 2HD LYS 4 -8.461 10.038 -5.791 34 HD3 LYS 4 3HD LYS 4 -7.931 11.695 -6.084 35 HE2 LYS 4 2HE LYS 4 -5.895 10.867 -7.153 36 HE3 LYS 4 3HE LYS 4 -6.383 9.205 -6.820 37 HZ1 LYS 4 3HZ LYS 4 -8.305 9.513 -8.240 38 HZ2 LYS 4 1HZ LYS 4 -6.884 9.846 -9.095 39 HZ3 LYS 4 2HZ LYS 4 -7.858 11.115 -8.549 40 H PHE 5 H PHE 5 -6.366 7.297 -1.947 41 HA PHE 5 HA PHE 5 -5.772 4.715 -3.215 42 HB2 PHE 5 2HB PHE 5 -4.772 5.932 -0.624 43 HB3 PHE 5 3HB PHE 5 -4.291 4.354 -1.241 44 HD1 PHE 5 HD1 PHE 5 -4.099 7.989 -1.808 45 HD2 PHE 5 HD2 PHE 5 -2.679 4.155 -3.009 46 HE1 PHE 5 HE1 PHE 5 -2.309 9.059 -3.114 47 HE2 PHE 5 HE2 PHE 5 -0.889 5.223 -4.309 48 HZ PHE 5 HZ PHE 5 -0.702 7.678 -4.366 49 H THR 6 H THR 6 -7.038 3.034 -2.845 50 HA THR 6 HA THR 6 -8.745 2.992 -0.425 51 HB THR 6 HB THR 6 -10.164 3.520 -2.308 52 HG1 THR 6 HG1 THR 6 -11.628 1.872 -2.050 53 HG21 THR 6 3HG2 THR 6 -8.706 2.684 -4.105 54 HG22 THR 6 1HG2 THR 6 -10.355 2.074 -4.263 55 HG23 THR 6 2HG2 THR 6 -9.084 1.028 -3.631 56 H LYS 7 H LYS 7 -9.381 0.876 0.340 57 HA LYS 7 HA LYS 7 -7.306 -1.008 0.459 58 HB2 LYS 7 2HB LYS 7 -8.930 -2.482 1.566 59 HB3 LYS 7 3HB LYS 7 -9.032 -0.837 2.178 60 HG2 LYS 7 2HG LYS 7 -11.039 -0.425 0.921 61 HG3 LYS 7 3HG LYS 7 -10.890 -1.976 0.096 62 HD2 LYS 7 2HD LYS 7 -12.571 -2.112 1.846 63 HD3 LYS 7 3HD LYS 7 -11.194 -3.138 2.244 64 HE2 LYS 7 2HE LYS 7 -10.340 -1.332 3.729 65 HE3 LYS 7 3HE LYS 7 -11.801 -0.406 3.384 66 HZ1 LYS 7 3HZ LYS 7 -11.962 -1.633 5.469 67 HZ2 LYS 7 1HZ LYS 7 -11.728 -3.090 4.649 68 HZ3 LYS 7 2HZ LYS 7 -13.118 -2.169 4.361 69 H ASP 8 H ASP 8 -9.740 -0.563 -1.911 70 HA ASP 8 HA ASP 8 -9.956 -3.216 -2.919 71 HB2 ASP 8 2HB ASP 8 -11.725 -1.628 -3.300 72 HB3 ASP 8 3HB ASP 8 -10.628 -0.517 -4.108 73 H MET 9 H MET 9 -7.840 -0.502 -3.745 74 HA MET 9 HA MET 9 -6.959 -1.639 -6.233 75 HB2 MET 9 2HB MET 9 -5.453 0.257 -6.362 76 HB3 MET 9 3HB MET 9 -7.040 0.800 -5.835 77 HG2 MET 9 2HG MET 9 -6.122 0.660 -3.466 78 HG3 MET 9 3HG MET 9 -4.532 0.520 -4.212 79 HE1 MET 9 3HE MET 9 -3.547 2.409 -5.883 80 HE2 MET 9 1HE MET 9 -4.362 3.939 -6.198 81 HE3 MET 9 2HE MET 9 -5.043 2.434 -6.817 82 H THR 10 H THR 10 -4.789 -2.302 -6.752 83 HA THR 10 HA THR 10 -3.612 -3.961 -4.683 84 HB THR 10 HB THR 10 -2.218 -4.916 -6.414 85 HG1 THR 10 HG1 THR 10 -2.288 -4.067 -8.553 86 HG21 THR 10 3HG2 THR 10 -5.019 -4.480 -7.478 87 HG22 THR 10 1HG2 THR 10 -4.544 -5.713 -6.307 88 HG23 THR 10 2HG2 THR 10 -3.917 -5.772 -7.955 89 H PHE 11 H PHE 11 -1.269 -4.054 -4.334 90 HA PHE 11 HA PHE 11 -0.111 -1.659 -3.548 91 HB2 PHE 11 2HB PHE 11 1.233 -4.263 -4.316 92 HB3 PHE 11 3HB PHE 11 2.066 -2.927 -3.528 93 HD1 PHE 11 HD1 PHE 11 1.189 -2.160 -1.254 94 HD2 PHE 11 HD2 PHE 11 0.094 -5.871 -3.044 95 HE1 PHE 11 HE1 PHE 11 0.504 -3.019 0.944 96 HE2 PHE 11 HE2 PHE 11 -0.595 -6.729 -0.844 97 HZ PHE 11 HZ PHE 11 -0.390 -5.304 1.153 98 H ALA 12 H ALA 12 0.261 -3.383 -6.632 99 HA ALA 12 HA ALA 12 2.248 -1.765 -7.779 100 HB1 ALA 12 3HB ALA 12 1.541 -2.683 -9.912 101 HB2 ALA 12 1HB ALA 12 0.016 -3.219 -9.203 102 HB3 ALA 12 2HB ALA 12 1.535 -3.944 -8.681 103 H GLN 13 H GLN 13 -1.305 -1.540 -8.035 104 HA GLN 13 HA GLN 13 -1.466 0.723 -9.660 105 HB2 GLN 13 2HB GLN 13 -3.353 -0.097 -7.435 106 HB3 GLN 13 3HB GLN 13 -3.726 1.041 -8.724 107 HG2 GLN 13 2HG GLN 13 -3.519 -0.715 -10.382 108 HG3 GLN 13 3HG GLN 13 -3.039 -1.867 -9.137 109 HE21 GLN 13 1HE2 GLN 13 -5.572 0.554 -8.781 110 HE22 GLN 13 2HE2 GLN 13 -6.877 -0.577 -8.684 111 H ALA 14 H ALA 14 -1.296 0.498 -6.118 112 HA ALA 14 HA ALA 14 -1.465 3.225 -5.510 113 HB1 ALA 14 3HB ALA 14 -1.656 1.475 -3.822 114 HB2 ALA 14 1HB ALA 14 -0.408 2.641 -3.377 115 HB3 ALA 14 2HB ALA 14 0.047 1.068 -4.033 116 H LEU 15 H LEU 15 1.468 1.228 -5.974 117 HA LEU 15 HA LEU 15 3.397 3.216 -5.674 118 HB2 LEU 15 2HB LEU 15 3.456 0.798 -7.491 119 HB3 LEU 15 3HB LEU 15 4.858 1.760 -7.063 120 HG LEU 15 HG LEU 15 3.187 0.152 -5.121 121 HD11 LEU 15 1HD1 LEU 15 5.946 -0.375 -6.226 122 HD12 LEU 15 2HD1 LEU 15 4.479 -1.271 -6.626 123 HD13 LEU 15 3HD1 LEU 15 5.125 -1.326 -4.987 124 HD21 LEU 15 3HD2 LEU 15 4.149 2.103 -4.044 125 HD22 LEU 15 1HD2 LEU 15 5.738 1.715 -4.707 126 HD23 LEU 15 2HD2 LEU 15 4.990 0.646 -3.520 127 H GLN 16 H GLN 16 1.495 2.356 -8.528 128 HA GLN 16 HA GLN 16 2.922 4.103 -10.306 129 HB2 GLN 16 2HB GLN 16 0.239 2.738 -10.583 130 HB3 GLN 16 3HB GLN 16 1.022 3.645 -11.870 131 HG2 GLN 16 2HG GLN 16 2.098 1.159 -10.544 132 HG3 GLN 16 3HG GLN 16 1.361 1.254 -12.143 133 HE21 GLN 16 1HE2 GLN 16 4.183 1.953 -10.253 134 HE22 GLN 16 2HE2 GLN 16 5.224 2.319 -11.578 135 H THR 17 H THR 17 0.394 4.597 -8.017 136 HA THR 17 HA THR 17 -0.691 6.951 -9.323 137 HB THR 17 HB THR 17 -1.236 5.902 -6.530 138 HG1 THR 17 HG1 THR 17 -1.970 4.418 -8.035 139 HG21 THR 17 3HG2 THR 17 -1.812 8.266 -6.711 140 HG22 THR 17 1HG2 THR 17 -3.284 7.296 -6.670 141 HG23 THR 17 2HG2 THR 17 -2.707 7.958 -8.198 142 H HIS 18 H HIS 18 1.522 6.281 -6.635 143 HA HIS 18 HA HIS 18 2.557 9.000 -6.832 144 HB2 HIS 18 2HB HIS 18 1.069 7.999 -4.444 145 HB3 HIS 18 3HB HIS 18 2.520 8.950 -4.144 146 HD1 HIS 18 HD1 HIS 18 -0.816 9.244 -5.920 147 HD2 HIS 18 HD2 HIS 18 2.191 11.646 -4.374 148 HE1 HIS 18 HE1 HIS 18 -1.709 11.581 -6.020 149 HE2 HIS 18 HE2 HIS 18 0.221 13.022 -5.318 150 HA PRO 19 HA PRO 19 6.322 6.568 -6.457 151 HB2 PRO 19 2HB PRO 19 7.514 9.235 -5.866 152 HB3 PRO 19 3HB PRO 19 7.980 8.039 -7.081 153 HG2 PRO 19 2HG PRO 19 6.700 10.267 -7.793 154 HG3 PRO 19 3HG PRO 19 6.324 8.716 -8.571 155 HD2 PRO 19 2HD PRO 19 4.800 10.196 -6.456 156 HD3 PRO 19 3HD PRO 19 4.192 9.301 -7.864 157 H GLY 20 H GLY 20 5.354 8.987 -4.066 158 HA2 GLY 20 2HA GLY 20 7.158 8.307 -2.010 159 HA3 GLY 20 3HA GLY 20 5.603 9.093 -1.786 160 H VAL 21 H VAL 21 4.311 6.653 -3.120 161 HA VAL 21 HA VAL 21 3.446 5.357 -0.810 162 HB VAL 21 HB VAL 21 3.418 4.340 -3.664 163 HG11 VAL 21 1HG1 VAL 21 3.131 2.479 -2.109 164 HG12 VAL 21 2HG1 VAL 21 1.623 2.829 -2.950 165 HG13 VAL 21 3HG1 VAL 21 1.840 3.352 -1.280 166 HG21 VAL 21 3HG2 VAL 21 1.293 5.758 -2.043 167 HG22 VAL 21 1HG2 VAL 21 1.096 5.138 -3.683 168 HG23 VAL 21 2HG2 VAL 21 2.229 6.453 -3.367 169 H ALA 22 H ALA 22 6.074 4.487 -3.024 170 HA ALA 22 HA ALA 22 6.702 1.945 -2.101 171 HB1 ALA 22 3HB ALA 22 8.627 4.082 -3.034 172 HB2 ALA 22 1HB ALA 22 7.746 2.955 -4.066 173 HB3 ALA 22 2HB ALA 22 8.968 2.353 -2.944 174 H GLY 23 H GLY 23 7.880 5.077 -0.864 175 HA2 GLY 23 2HA GLY 23 9.469 4.008 1.235 176 HA3 GLY 23 3HA GLY 23 8.872 5.658 1.135 177 H VAL 24 H VAL 24 6.128 5.229 1.174 178 HA VAL 24 HA VAL 24 5.545 5.031 3.903 179 HB VAL 24 HB VAL 24 3.637 4.564 1.593 180 HG11 VAL 24 1HG1 VAL 24 2.706 3.829 3.727 181 HG12 VAL 24 2HG1 VAL 24 1.888 5.285 3.162 182 HG13 VAL 24 3HG1 VAL 24 3.088 5.394 4.451 183 HG21 VAL 24 3HG2 VAL 24 4.815 6.698 1.371 184 HG22 VAL 24 1HG2 VAL 24 4.354 7.137 3.016 185 HG23 VAL 24 2HG2 VAL 24 3.117 6.957 1.772 186 H LEU 25 H LEU 25 4.922 2.609 1.337 187 HA LEU 25 HA LEU 25 3.892 0.601 2.988 188 HB2 LEU 25 2HB LEU 25 5.433 0.339 0.402 189 HB3 LEU 25 3HB LEU 25 4.540 -0.967 1.163 190 HG LEU 25 HG LEU 25 3.354 1.598 0.082 191 HD11 LEU 25 1HD1 LEU 25 3.138 -1.242 -0.915 192 HD12 LEU 25 2HD1 LEU 25 4.056 0.060 -1.673 193 HD13 LEU 25 3HD1 LEU 25 2.299 0.161 -1.581 194 HD21 LEU 25 3HD2 LEU 25 1.176 0.565 0.573 195 HD22 LEU 25 1HD2 LEU 25 2.118 0.858 2.035 196 HD23 LEU 25 2HD2 LEU 25 2.001 -0.773 1.374 197 H ARG 26 H ARG 26 7.269 1.223 2.030 198 HA ARG 26 HA ARG 26 8.458 -0.932 3.391 199 HB2 ARG 26 2HB ARG 26 9.512 1.827 2.726 200 HB3 ARG 26 3HB ARG 26 10.512 0.565 3.437 201 HG2 ARG 26 2HG ARG 26 10.287 -0.822 1.521 202 HG3 ARG 26 3HG ARG 26 9.014 0.199 0.849 203 HD2 ARG 26 2HD ARG 26 11.176 0.533 -0.279 204 HD3 ARG 26 3HD ARG 26 10.591 2.002 0.501 205 HE ARG 26 HE ARG 26 12.207 1.054 2.386 206 HH11 ARG 26 1HH1 ARG 26 12.712 1.207 -1.015 207 HH12 ARG 26 2HH1 ARG 26 14.406 1.518 -0.859 208 HH21 ARG 26 1HH2 ARG 26 14.366 1.463 2.577 209 HH22 ARG 26 2HH2 ARG 26 15.332 1.685 1.155 210 H SER 27 H SER 27 7.523 2.283 4.541 211 HA SER 27 HA SER 27 8.555 2.069 7.172 212 HB2 SER 27 2HB SER 27 7.861 4.221 6.214 213 HB3 SER 27 3HB SER 27 6.187 3.673 6.154 214 HG SER 27 HG SER 27 6.749 5.010 8.005 215 H TYR 28 H TYR 28 5.601 0.913 5.692 216 HA TYR 28 HA TYR 28 4.503 0.020 8.252 217 HB2 TYR 28 2HB TYR 28 3.429 0.180 5.450 218 HB3 TYR 28 3HB TYR 28 2.635 -0.845 6.642 219 HD1 TYR 28 HD2 TYR 28 3.566 2.666 5.859 220 HD2 TYR 28 HD1 TYR 28 1.264 0.083 8.339 221 HE1 TYR 28 HE2 TYR 28 2.326 4.606 6.724 222 HE2 TYR 28 HE1 TYR 28 0.020 2.015 9.207 223 HH TYR 28 HH TYR 28 0.022 4.278 9.370 224 H ASN 29 H ASN 29 6.894 -1.222 6.585 225 HA ASN 29 HA ASN 29 7.858 -3.287 6.529 226 HB2 ASN 29 2HB ASN 29 6.925 -3.463 8.833 227 HB3 ASN 29 3HB ASN 29 5.469 -4.191 8.165 228 HD21 ASN 29 1HD2 ASN 29 5.792 -6.071 9.369 229 HD22 ASN 29 2HD2 ASN 29 7.020 -7.215 8.966 230 H LEU 30 H LEU 30 5.748 -2.412 4.577 231 HA LEU 30 HA LEU 30 4.999 -5.030 3.439 232 HB2 LEU 30 2HB LEU 30 4.009 -2.246 2.785 233 HB3 LEU 30 3HB LEU 30 3.483 -3.710 1.974 234 HG LEU 30 HG LEU 30 3.071 -3.142 4.918 235 HD11 LEU 30 1HD1 LEU 30 0.726 -2.781 4.346 236 HD12 LEU 30 2HD1 LEU 30 1.100 -2.986 2.635 237 HD13 LEU 30 3HD1 LEU 30 1.761 -1.614 3.524 238 HD21 LEU 30 3HD2 LEU 30 3.207 -5.521 4.423 239 HD22 LEU 30 1HD2 LEU 30 2.013 -5.341 3.137 240 HD23 LEU 30 2HD2 LEU 30 1.551 -5.067 4.818 241 H GLY 31 H GLY 31 7.670 -3.438 3.313 242 HA2 GLY 31 2HA GLY 31 7.987 -2.484 0.656 243 HA3 GLY 31 3HA GLY 31 9.282 -2.854 1.778 244 H CYS 32 H CYS 32 7.994 -5.711 1.853 245 HA CYS 32 HA CYS 32 9.841 -6.845 -0.008 246 HB2 CYS 32 2HB CYS 32 7.647 -8.180 1.591 247 HB3 CYS 32 3HB CYS 32 8.942 -9.016 0.743 248 HG CYS 32 HG CYS 32 10.918 -7.579 2.368 249 H ILE 33 H ILE 33 6.778 -5.602 -0.550 250 HA ILE 33 HA ILE 33 5.395 -7.482 -2.024 251 HB ILE 33 HB ILE 33 4.319 -5.568 -3.232 252 HG12 ILE 33 2HG1 ILE 33 6.205 -3.887 -1.553 253 HG13 ILE 33 3HG1 ILE 33 6.313 -4.091 -3.299 254 HG21 ILE 33 1HG2 ILE 33 3.276 -4.611 -1.215 255 HG22 ILE 33 2HG2 ILE 33 4.543 -5.347 -0.232 256 HG23 ILE 33 3HG2 ILE 33 3.421 -6.367 -1.130 257 HD11 ILE 33 3HD1 ILE 33 5.289 -1.974 -2.714 258 HD12 ILE 33 1HD1 ILE 33 4.030 -2.813 -1.810 259 HD13 ILE 33 2HD1 ILE 33 4.143 -3.011 -3.560 260 H GLY 34 H GLY 34 7.920 -5.283 -3.260 261 HA2 GLY 34 2HA GLY 34 7.578 -5.976 -5.990 262 HA3 GLY 34 3HA GLY 34 9.000 -5.222 -5.290 263 H CYS 35 H CYS 35 9.758 -7.253 -3.499 264 HA CYS 35 HA CYS 35 11.215 -8.942 -5.276 265 HB2 CYS 35 2HB CYS 35 12.184 -8.162 -3.180 266 HB3 CYS 35 3HB CYS 35 10.960 -9.034 -2.264 267 HG CYS 35 HG CYS 35 12.770 -10.939 -4.358 268 H MET 36 H MET 36 8.452 -9.493 -3.130 269 HA MET 36 HA MET 36 8.448 -12.351 -3.663 270 HB2 MET 36 2HB MET 36 6.587 -12.463 -2.114 271 HB3 MET 36 3HB MET 36 7.869 -11.471 -1.429 272 HG2 MET 36 2HG MET 36 6.602 -9.455 -2.227 273 HG3 MET 36 3HG MET 36 5.274 -10.541 -2.634 274 HE1 MET 36 3HE MET 36 4.464 -12.036 0.950 275 HE2 MET 36 1HE MET 36 5.672 -12.671 -0.167 276 HE3 MET 36 2HE MET 36 4.105 -12.140 -0.775 277 H GLY 37 H GLY 37 7.253 -9.665 -5.287 278 HA2 GLY 37 2HA GLY 37 6.013 -9.594 -7.246 279 HA3 GLY 37 3HA GLY 37 5.705 -11.314 -7.079 280 H ALA 38 H ALA 38 4.941 -9.179 -4.442 281 HA ALA 38 HA ALA 38 2.175 -9.974 -4.518 282 HB1 ALA 38 3HB ALA 38 3.390 -9.751 -2.408 283 HB2 ALA 38 1HB ALA 38 1.962 -8.719 -2.445 284 HB3 ALA 38 2HB ALA 38 3.563 -8.019 -2.687 285 H GLN 39 H GLN 39 3.440 -8.013 -6.583 286 HA GLN 39 HA GLN 39 2.202 -5.507 -6.385 287 HB2 GLN 39 2HB GLN 39 2.928 -7.126 -8.840 288 HB3 GLN 39 3HB GLN 39 2.488 -5.427 -8.870 289 HG2 GLN 39 2HG GLN 39 4.880 -6.616 -7.474 290 HG3 GLN 39 3HG GLN 39 4.896 -5.714 -8.987 291 HE21 GLN 39 1HE2 GLN 39 4.602 -5.511 -5.543 292 HE22 GLN 39 2HE2 GLN 39 4.732 -3.795 -5.432 293 H ASN 40 H ASN 40 0.899 -8.610 -7.205 294 HA ASN 40 HA ASN 40 -1.461 -7.556 -8.542 295 HB2 ASN 40 2HB ASN 40 -0.993 -10.438 -7.770 296 HB3 ASN 40 3HB ASN 40 -1.973 -9.804 -9.090 297 HD21 ASN 40 1HD2 ASN 40 1.198 -10.672 -8.046 298 HD22 ASN 40 2HD2 ASN 40 1.980 -10.468 -9.571 299 H GLU 41 H GLU 41 -0.636 -7.776 -5.372 300 HA GLU 41 HA GLU 41 -3.182 -8.845 -4.398 301 HB2 GLU 41 2HB GLU 41 -1.123 -9.710 -3.400 302 HB3 GLU 41 3HB GLU 41 -0.650 -8.088 -2.918 303 HG2 GLU 41 2HG GLU 41 -2.399 -7.959 -1.318 304 HG3 GLU 41 3HG GLU 41 -3.165 -9.421 -1.943 305 H SER 42 H SER 42 -4.744 -7.637 -3.433 306 HA SER 42 HA SER 42 -4.712 -4.797 -3.672 307 HB2 SER 42 2HB SER 42 -6.653 -6.623 -2.236 308 HB3 SER 42 3HB SER 42 -6.897 -4.890 -2.448 309 HG SER 42 HG SER 42 -7.463 -5.214 -4.450 310 H LEU 43 H LEU 43 -4.858 -3.211 -2.006 311 HA LEU 43 HA LEU 43 -2.827 -3.319 -0.139 312 HB2 LEU 43 2HB LEU 43 -5.295 -1.578 -0.103 313 HB3 LEU 43 3HB LEU 43 -3.867 -1.298 0.877 314 HG LEU 43 HG LEU 43 -4.002 -1.198 -2.145 315 HD11 LEU 43 1HD1 LEU 43 -3.590 0.992 -0.109 316 HD12 LEU 43 2HD1 LEU 43 -5.052 0.718 -1.057 317 HD13 LEU 43 3HD1 LEU 43 -3.554 1.182 -1.862 318 HD21 LEU 43 3HD2 LEU 43 -1.677 -0.415 -2.038 319 HD22 LEU 43 1HD2 LEU 43 -1.841 -2.058 -1.420 320 HD23 LEU 43 2HD2 LEU 43 -1.661 -0.709 -0.299 321 H GLU 44 H GLU 44 -6.333 -3.733 0.555 322 HA GLU 44 HA GLU 44 -5.990 -4.112 3.329 323 HB2 GLU 44 2HB GLU 44 -8.167 -3.559 2.405 324 HB3 GLU 44 3HB GLU 44 -8.222 -5.089 1.536 325 HG2 GLU 44 2HG GLU 44 -8.371 -6.324 3.586 326 HG3 GLU 44 3HG GLU 44 -8.076 -4.874 4.542 327 H GLN 45 H GLN 45 -6.095 -6.453 0.668 328 HA GLN 45 HA GLN 45 -6.065 -8.824 2.139 329 HB2 GLN 45 2HB GLN 45 -4.713 -8.246 -0.513 330 HB3 GLN 45 3HB GLN 45 -5.008 -9.851 0.139 331 HG2 GLN 45 2HG GLN 45 -7.422 -9.450 0.033 332 HG3 GLN 45 3HG GLN 45 -7.124 -7.842 -0.625 333 HE21 GLN 45 1HE2 GLN 45 -8.221 -8.284 -2.540 334 HE22 GLN 45 2HE2 GLN 45 -7.577 -9.339 -3.748 335 H GLY 46 H GLY 46 -3.263 -7.054 0.798 336 HA2 GLY 46 2HA GLY 46 -1.282 -8.622 2.062 337 HA3 GLY 46 3HA GLY 46 -1.054 -7.004 1.420 338 H ALA 47 H ALA 47 -2.853 -5.609 3.100 339 HA ALA 47 HA ALA 47 -1.268 -4.991 5.299 340 HB1 ALA 47 3HB ALA 47 -4.249 -4.592 5.026 341 HB2 ALA 47 1HB ALA 47 -3.000 -3.502 4.424 342 HB3 ALA 47 2HB ALA 47 -3.191 -3.751 6.160 343 H ASN 48 H ASN 48 -4.373 -6.781 5.405 344 HA ASN 48 HA ASN 48 -4.113 -7.565 8.107 345 HB2 ASN 48 2HB ASN 48 -5.790 -8.685 5.852 346 HB3 ASN 48 3HB ASN 48 -5.889 -9.280 7.508 347 HD21 ASN 48 1HD2 ASN 48 -6.554 -6.608 5.389 348 HD22 ASN 48 2HD2 ASN 48 -7.571 -5.742 6.486 349 H ALA 49 H ALA 49 -3.086 -9.123 5.104 350 HA ALA 49 HA ALA 49 -2.336 -11.621 6.204 351 HB1 ALA 49 3HB ALA 49 -2.645 -11.260 3.806 352 HB2 ALA 49 1HB ALA 49 -1.047 -11.923 4.148 353 HB3 ALA 49 2HB ALA 49 -1.230 -10.209 3.776 354 H HIS 50 H HIS 50 -0.873 -8.518 6.455 355 HA HIS 50 HA HIS 50 1.614 -9.721 7.514 356 HB2 HIS 50 2HB HIS 50 1.104 -6.969 6.365 357 HB3 HIS 50 3HB HIS 50 2.581 -7.401 7.216 358 HD1 HIS 50 HD1 HIS 50 4.396 -7.857 5.621 359 HD2 HIS 50 HD2 HIS 50 0.724 -9.121 4.143 360 HE1 HIS 50 HE1 HIS 50 4.872 -8.796 3.342 361 HE2 HIS 50 HE2 HIS 50 2.611 -9.359 2.397 362 H GLY 51 H GLY 51 -1.204 -8.906 8.713 363 HA2 GLY 51 2HA GLY 51 -1.897 -8.451 10.871 364 HA3 GLY 51 3HA GLY 51 -0.211 -8.340 11.341 365 H LEU 52 H LEU 52 -1.966 -6.387 8.946 366 HA LEU 52 HA LEU 52 -1.491 -3.987 10.613 367 HB2 LEU 52 2HB LEU 52 -1.227 -4.161 7.601 368 HB3 LEU 52 3HB LEU 52 -0.967 -2.731 8.584 369 HG LEU 52 HG LEU 52 0.728 -5.231 8.739 370 HD11 LEU 52 1HD1 LEU 52 2.415 -3.949 7.527 371 HD12 LEU 52 2HD1 LEU 52 1.279 -2.612 7.344 372 HD13 LEU 52 3HD1 LEU 52 0.954 -4.158 6.560 373 HD21 LEU 52 3HD2 LEU 52 2.274 -3.783 9.983 374 HD22 LEU 52 1HD2 LEU 52 0.719 -3.937 10.802 375 HD23 LEU 52 2HD2 LEU 52 1.100 -2.467 9.904 376 H ASN 53 H ASN 53 -3.065 -2.327 10.467 377 HA ASN 53 HA ASN 53 -5.625 -3.064 9.272 378 HB2 ASN 53 2HB ASN 53 -5.534 -2.029 11.543 379 HB3 ASN 53 3HB ASN 53 -4.893 -0.558 10.817 380 HD21 ASN 53 1HD2 ASN 53 -7.336 -0.867 12.317 381 HD22 ASN 53 2HD2 ASN 53 -8.630 -0.423 11.265 382 H VAL 54 H VAL 54 -6.038 -2.568 7.209 383 HA VAL 54 HA VAL 54 -4.359 -1.092 5.548 384 HB VAL 54 HB VAL 54 -5.976 -2.758 4.716 385 HG11 VAL 54 1HG1 VAL 54 -7.903 -2.150 6.103 386 HG12 VAL 54 2HG1 VAL 54 -8.329 -2.179 4.392 387 HG13 VAL 54 3HG1 VAL 54 -8.074 -0.638 5.213 388 HG21 VAL 54 3HG2 VAL 54 -6.629 -1.566 2.667 389 HG22 VAL 54 1HG2 VAL 54 -4.977 -1.179 3.142 390 HG23 VAL 54 2HG2 VAL 54 -6.277 -0.026 3.450 391 H GLU 55 H GLU 55 -7.147 -0.023 7.410 392 HA GLU 55 HA GLU 55 -7.609 2.447 6.148 393 HB2 GLU 55 2HB GLU 55 -8.136 1.504 8.968 394 HB3 GLU 55 3HB GLU 55 -8.682 3.063 8.364 395 HG2 GLU 55 2HG GLU 55 -10.044 1.985 6.684 396 HG3 GLU 55 3HG GLU 55 -9.427 0.403 7.155 397 H ASP 56 H ASP 56 -5.415 1.579 8.794 398 HA ASP 56 HA ASP 56 -4.567 4.223 9.400 399 HB2 ASP 56 2HB ASP 56 -4.262 2.194 10.869 400 HB3 ASP 56 3HB ASP 56 -2.992 1.658 9.773 401 H ILE 57 H ILE 57 -3.453 1.763 7.139 402 HA ILE 57 HA ILE 57 -1.117 3.106 6.223 403 HB ILE 57 HB ILE 57 -2.790 1.097 4.692 404 HG12 ILE 57 2HG1 ILE 57 -0.531 0.579 6.655 405 HG13 ILE 57 3HG1 ILE 57 -2.234 0.247 6.949 406 HG21 ILE 57 1HG2 ILE 57 -0.685 0.544 3.570 407 HG22 ILE 57 2HG2 ILE 57 0.146 1.787 4.507 408 HG23 ILE 57 3HG2 ILE 57 -1.101 2.243 3.347 409 HD11 ILE 57 3HD1 ILE 57 -2.219 -1.390 5.131 410 HD12 ILE 57 1HD1 ILE 57 -1.038 -1.779 6.381 411 HD13 ILE 57 2HD1 ILE 57 -0.507 -1.064 4.859 412 H LEU 58 H LEU 58 -4.444 2.919 4.961 413 HA LEU 58 HA LEU 58 -4.108 4.368 2.604 414 HB2 LEU 58 2HB LEU 58 -6.535 4.214 4.397 415 HB3 LEU 58 3HB LEU 58 -6.547 4.879 2.774 416 HG LEU 58 HG LEU 58 -5.976 2.006 3.526 417 HD11 LEU 58 1HD1 LEU 58 -8.051 1.533 2.305 418 HD12 LEU 58 2HD1 LEU 58 -8.308 3.264 2.081 419 HD13 LEU 58 3HD1 LEU 58 -8.326 2.572 3.704 420 HD21 LEU 58 3HD2 LEU 58 -6.027 3.301 0.798 421 HD22 LEU 58 1HD2 LEU 58 -5.903 1.570 1.114 422 HD23 LEU 58 2HD2 LEU 58 -4.608 2.653 1.622 423 H ARG 59 H ARG 59 -4.553 5.529 5.899 424 HA ARG 59 HA ARG 59 -5.089 8.219 5.447 425 HB2 ARG 59 2HB ARG 59 -5.105 7.233 7.679 426 HB3 ARG 59 3HB ARG 59 -3.368 6.968 7.603 427 HG2 ARG 59 2HG ARG 59 -3.068 9.452 7.451 428 HG3 ARG 59 3HG ARG 59 -4.803 9.622 7.723 429 HD2 ARG 59 2HD ARG 59 -3.547 9.912 9.801 430 HD3 ARG 59 3HD ARG 59 -4.588 8.489 9.879 431 HE ARG 59 HE ARG 59 -1.672 8.385 9.411 432 HH11 ARG 59 1HH1 ARG 59 -4.562 7.050 10.750 433 HH12 ARG 59 2HH1 ARG 59 -3.735 5.684 11.418 434 HH21 ARG 59 1HH2 ARG 59 -0.644 6.648 10.280 435 HH22 ARG 59 2HH2 ARG 59 -1.549 5.453 11.148 436 H ASP 60 H ASP 60 -1.874 6.715 5.871 437 HA ASP 60 HA ASP 60 -0.421 9.087 5.334 438 HB2 ASP 60 2HB ASP 60 0.282 6.818 6.487 439 HB3 ASP 60 3HB ASP 60 0.763 6.368 4.855 440 H LEU 61 H LEU 61 -1.443 6.383 3.295 441 HA LEU 61 HA LEU 61 -0.036 7.059 0.958 442 HB2 LEU 61 2HB LEU 61 -2.697 5.650 1.240 443 HB3 LEU 61 3HB LEU 61 -1.747 5.705 -0.233 444 HG LEU 61 HG LEU 61 -0.903 4.390 2.358 445 HD11 LEU 61 1HD1 LEU 61 -1.750 3.185 -0.278 446 HD12 LEU 61 2HD1 LEU 61 -2.671 3.157 1.225 447 HD13 LEU 61 3HD1 LEU 61 -1.138 2.293 1.117 448 HD21 LEU 61 3HD2 LEU 61 1.008 5.309 1.148 449 HD22 LEU 61 1HD2 LEU 61 0.489 4.479 -0.320 450 HD23 LEU 61 2HD2 LEU 61 1.006 3.547 1.086 451 H ASN 62 H ASN 62 -3.416 7.876 1.843 452 HA ASN 62 HA ASN 62 -3.858 9.515 -0.432 453 HB2 ASN 62 2HB ASN 62 -5.276 9.282 2.217 454 HB3 ASN 62 3HB ASN 62 -5.759 10.481 1.020 455 HD21 ASN 62 1HD2 ASN 62 -5.724 7.121 1.835 456 HD22 ASN 62 2HD2 ASN 62 -6.736 6.589 0.541 457 H ALA 63 H ALA 63 -2.458 10.153 2.720 458 HA ALA 63 HA ALA 63 -2.482 12.950 2.710 459 HB1 ALA 63 3HB ALA 63 -0.341 11.130 3.814 460 HB2 ALA 63 1HB ALA 63 -1.814 11.621 4.650 461 HB3 ALA 63 2HB ALA 63 -0.588 12.823 4.247 462 H LEU 64 H LEU 64 -0.461 10.708 0.922 463 HA LEU 64 HA LEU 64 1.539 12.494 0.035 464 HB2 LEU 64 2HB LEU 64 0.358 10.092 -1.377 465 HB3 LEU 64 3HB LEU 64 1.858 10.887 -1.824 466 HG LEU 64 HG LEU 64 1.372 9.491 0.820 467 HD11 LEU 64 1HD1 LEU 64 2.863 7.752 -0.053 468 HD12 LEU 64 2HD1 LEU 64 2.896 8.566 -1.618 469 HD13 LEU 64 3HD1 LEU 64 1.386 7.890 -1.006 470 HD21 LEU 64 3HD2 LEU 64 3.902 10.616 -0.392 471 HD22 LEU 64 1HD2 LEU 64 3.794 9.706 1.116 472 HD23 LEU 64 2HD2 LEU 64 3.020 11.285 0.981 473 H ALA 65 H ALA 65 -1.752 11.981 -1.027 474 HA ALA 65 HA ALA 65 -1.408 13.613 -3.426 475 HB1 ALA 65 3HB ALA 65 -3.717 13.017 -3.925 476 HB2 ALA 65 1HB ALA 65 -3.878 12.254 -2.342 477 HB3 ALA 65 2HB ALA 65 -2.772 11.578 -3.539 478 H LEU 66 H LEU 66 -3.128 13.749 -0.327 479 HA LEU 66 HA LEU 66 -4.374 16.286 -0.868 480 HB2 LEU 66 2HB LEU 66 -4.029 14.824 1.759 481 HB3 LEU 66 3HB LEU 66 -5.112 16.174 1.468 482 HG LEU 66 HG LEU 66 -5.337 13.453 0.165 483 HD11 LEU 66 1HD1 LEU 66 -7.319 13.171 1.575 484 HD12 LEU 66 2HD1 LEU 66 -6.971 14.708 2.370 485 HD13 LEU 66 3HD1 LEU 66 -5.852 13.353 2.539 486 HD21 LEU 66 3HD2 LEU 66 -7.170 15.854 0.049 487 HD22 LEU 66 1HD2 LEU 66 -7.511 14.263 -0.633 488 HD23 LEU 66 2HD2 LEU 66 -6.184 15.229 -1.274 489 H GLU 67 H GLU 67 -1.624 15.215 1.101 490 HA GLU 67 HA GLU 67 0.112 16.273 2.077 491 HB2 GLU 67 2HB GLU 67 -0.517 18.408 0.028 492 HB3 GLU 67 3HB GLU 67 0.932 18.384 1.027 493 HG2 GLU 67 2HG GLU 67 1.622 16.280 0.022 494 HG3 GLU 67 3HG GLU 67 0.144 16.233 -0.940 495 H HIS 68 H HIS 68 -1.523 19.341 1.410 496 HA HIS 68 HA HIS 68 -1.845 21.129 2.794 497 HB2 HIS 68 2HB HIS 68 -3.745 20.882 4.243 498 HB3 HIS 68 3HB HIS 68 -4.001 19.887 2.816 499 HD1 HIS 68 HD1 HIS 68 -3.123 19.587 6.478 500 HD2 HIS 68 HD2 HIS 68 -4.449 17.221 3.327 501 HE1 HIS 68 HE1 HIS 68 -3.718 17.375 7.501 502 HE2 HIS 68 HE2 HIS 68 -4.354 15.918 5.560 503 H HIS 69 H HIS 69 0.511 19.475 3.608 504 HA HIS 69 HA HIS 69 0.602 20.115 6.492 505 HB2 HIS 69 2HB HIS 69 1.019 17.704 5.639 506 HB3 HIS 69 3HB HIS 69 2.556 18.318 5.041 507 HD1 HIS 69 HD1 HIS 69 0.792 17.283 8.138 508 HD2 HIS 69 HD2 HIS 69 4.422 19.013 7.082 509 HE1 HIS 69 HE1 HIS 69 2.221 17.150 10.191 510 HE2 HIS 69 HE2 HIS 69 4.337 18.351 9.582 511 H HIS 70 H HIS 70 1.520 22.055 6.820 512 HA HIS 70 HA HIS 70 3.437 23.066 4.807 513 HB2 HIS 70 2HB HIS 70 2.609 25.343 5.681 514 HB3 HIS 70 3HB HIS 70 1.504 24.391 4.692 515 HD1 HIS 70 HD1 HIS 70 -0.676 23.669 5.736 516 HD2 HIS 70 HD2 HIS 70 1.939 25.354 8.494 517 HE1 HIS 70 HE1 HIS 70 -1.991 23.899 7.859 518 HE2 HIS 70 HE2 HIS 70 -0.349 24.768 9.547 519 H HIS 71 H HIS 71 4.766 25.005 5.725 520 HA HIS 71 HA HIS 71 5.947 24.197 8.314 521 HB2 HIS 71 2HB HIS 71 7.499 23.579 6.595 522 HB3 HIS 71 3HB HIS 71 7.312 25.126 5.778 523 HD1 HIS 71 HD1 HIS 71 8.862 26.989 6.473 524 HD2 HIS 71 HD2 HIS 71 9.006 23.752 9.071 525 HE1 HIS 71 HE1 HIS 71 10.780 27.454 8.018 526 HE2 HIS 71 HE2 HIS 71 10.689 25.602 9.713 527 H HIS 72 H HIS 72 5.505 25.713 9.798 528 HA HIS 72 HA HIS 72 5.392 28.539 9.099 529 HB2 HIS 72 2HB HIS 72 4.851 28.902 11.467 530 HB3 HIS 72 3HB HIS 72 3.809 27.670 10.763 531 HD1 HIS 72 HD1 HIS 72 6.709 28.061 13.148 532 HD2 HIS 72 HD2 HIS 72 3.956 25.179 11.964 533 HE1 HIS 72 HE1 HIS 72 6.963 26.177 14.780 534 HE2 HIS 72 HE2 HIS 72 5.126 24.566 14.183 535 H HIS 73 H HIS 73 6.644 30.047 10.742 536 HA HIS 73 HA HIS 73 9.393 29.699 10.257 537 HB2 HIS 73 2HB HIS 73 9.773 31.683 11.562 538 HB3 HIS 73 3HB HIS 73 8.291 31.908 10.645 539 HD1 HIS 73 HD1 HIS 73 6.100 32.157 11.990 540 HD2 HIS 73 HD2 HIS 73 9.467 31.571 14.351 541 HE1 HIS 73 HE1 HIS 73 5.389 32.724 14.326 542 HE2 HIS 73 HE2 HIS 73 7.383 32.177 15.751 Start of MODEL 6 1 H1 MET 1 1H MET 1 -16.962 9.462 1.503 2 H2 MET 1 2H MET 1 -17.421 10.989 2.055 3 H3 MET 1 3H MET 1 -15.818 10.479 2.220 4 HA MET 1 HA MET 1 -17.229 10.980 -0.337 5 HB2 MET 1 2HB MET 1 -16.691 13.030 0.960 6 HB3 MET 1 3HB MET 1 -15.003 12.542 1.008 7 HG2 MET 1 2HG MET 1 -15.475 14.269 -0.690 8 HG3 MET 1 3HG MET 1 -14.803 12.788 -1.371 9 HE1 MET 1 3HE MET 1 -18.514 13.340 -0.135 10 HE2 MET 1 1HE MET 1 -19.279 13.903 -1.621 11 HE3 MET 1 2HE MET 1 -18.070 14.904 -0.819 12 H THR 2 H THR 2 -15.719 10.999 -2.205 13 HA THR 2 HA THR 2 -14.354 8.591 -2.482 14 HB THR 2 HB THR 2 -13.851 11.094 -4.118 15 HG1 THR 2 HG1 THR 2 -15.497 10.124 -5.503 16 HG21 THR 2 3HG2 THR 2 -12.203 9.340 -4.537 17 HG22 THR 2 1HG2 THR 2 -13.292 9.496 -5.920 18 HG23 THR 2 2HG2 THR 2 -13.495 8.162 -4.782 19 H GLN 3 H GLN 3 -12.539 7.951 -1.461 20 HA GLN 3 HA GLN 3 -10.285 9.833 -1.213 21 HB2 GLN 3 2HB GLN 3 -10.745 7.118 0.053 22 HB3 GLN 3 3HB GLN 3 -9.243 8.021 0.195 23 HG2 GLN 3 2HG GLN 3 -10.541 9.882 1.238 24 HG3 GLN 3 3HG GLN 3 -11.954 8.830 1.232 25 HE21 GLN 3 1HE2 GLN 3 -10.373 6.439 1.841 26 HE22 GLN 3 2HE2 GLN 3 -9.955 6.564 3.509 27 H LYS 4 H LYS 4 -8.552 9.662 -2.527 28 HA LYS 4 HA LYS 4 -8.772 8.132 -4.884 29 HB2 LYS 4 2HB LYS 4 -6.388 9.639 -3.789 30 HB3 LYS 4 3HB LYS 4 -6.499 8.983 -5.419 31 HG2 LYS 4 2HG LYS 4 -8.521 10.414 -5.774 32 HG3 LYS 4 3HG LYS 4 -8.199 11.162 -4.210 33 HD2 LYS 4 2HD LYS 4 -7.300 12.544 -5.988 34 HD3 LYS 4 3HD LYS 4 -5.976 11.865 -5.036 35 HE2 LYS 4 2HE LYS 4 -5.613 10.152 -6.736 36 HE3 LYS 4 3HE LYS 4 -6.969 10.777 -7.676 37 HZ1 LYS 4 3HZ LYS 4 -4.548 12.350 -7.009 38 HZ2 LYS 4 1HZ LYS 4 -5.798 12.805 -8.051 39 HZ3 LYS 4 2HZ LYS 4 -4.772 11.526 -8.468 40 H PHE 5 H PHE 5 -7.064 7.502 -1.889 41 HA PHE 5 HA PHE 5 -6.024 4.983 -3.028 42 HB2 PHE 5 2HB PHE 5 -5.284 6.437 -0.473 43 HB3 PHE 5 3HB PHE 5 -4.627 4.878 -0.954 44 HD1 PHE 5 HD1 PHE 5 -4.760 8.466 -1.822 45 HD2 PHE 5 HD2 PHE 5 -2.862 4.718 -2.534 46 HE1 PHE 5 HE1 PHE 5 -2.976 9.609 -3.069 47 HE2 PHE 5 HE2 PHE 5 -1.073 5.859 -3.777 48 HZ PHE 5 HZ PHE 5 -1.129 8.309 -4.044 49 H THR 6 H THR 6 -7.316 3.283 -2.736 50 HA THR 6 HA THR 6 -8.825 3.034 -0.202 51 HB THR 6 HB THR 6 -10.451 3.578 -1.891 52 HG1 THR 6 HG1 THR 6 -11.738 1.686 -1.761 53 HG21 THR 6 3HG2 THR 6 -9.141 2.975 -3.887 54 HG22 THR 6 1HG2 THR 6 -10.747 2.245 -3.929 55 HG23 THR 6 2HG2 THR 6 -9.344 1.265 -3.504 56 H LYS 7 H LYS 7 -9.496 0.779 0.289 57 HA LYS 7 HA LYS 7 -7.276 -0.967 0.298 58 HB2 LYS 7 2HB LYS 7 -8.821 -2.604 1.312 59 HB3 LYS 7 3HB LYS 7 -8.948 -1.017 2.064 60 HG2 LYS 7 2HG LYS 7 -10.991 -0.563 0.825 61 HG3 LYS 7 3HG LYS 7 -10.844 -2.106 -0.021 62 HD2 LYS 7 2HD LYS 7 -12.467 -2.277 1.786 63 HD3 LYS 7 3HD LYS 7 -11.067 -3.298 2.115 64 HE2 LYS 7 2HE LYS 7 -10.170 -1.544 3.606 65 HE3 LYS 7 3HE LYS 7 -11.610 -0.571 3.308 66 HZ1 LYS 7 3HZ LYS 7 -12.955 -2.313 4.287 67 HZ2 LYS 7 1HZ LYS 7 -11.767 -1.811 5.381 68 HZ3 LYS 7 2HZ LYS 7 -11.584 -3.269 4.545 69 H ASP 8 H ASP 8 -9.756 -0.480 -2.010 70 HA ASP 8 HA ASP 8 -9.901 -3.038 -3.205 71 HB2 ASP 8 2HB ASP 8 -11.634 -1.371 -3.530 72 HB3 ASP 8 3HB ASP 8 -10.490 -0.281 -4.307 73 H MET 9 H MET 9 -7.895 -0.186 -3.967 74 HA MET 9 HA MET 9 -6.833 -1.266 -6.382 75 HB2 MET 9 2HB MET 9 -5.296 0.636 -6.351 76 HB3 MET 9 3HB MET 9 -6.935 1.153 -5.986 77 HG2 MET 9 2HG MET 9 -6.317 1.106 -3.564 78 HG3 MET 9 3HG MET 9 -4.651 0.819 -4.060 79 HE1 MET 9 3HE MET 9 -3.884 4.116 -6.082 80 HE2 MET 9 1HE MET 9 -4.585 2.650 -6.767 81 HE3 MET 9 2HE MET 9 -3.273 2.536 -5.593 82 H THR 10 H THR 10 -4.648 -1.909 -6.814 83 HA THR 10 HA THR 10 -3.540 -3.560 -4.676 84 HB THR 10 HB THR 10 -2.212 -4.648 -6.383 85 HG1 THR 10 HG1 THR 10 -2.602 -3.849 -8.643 86 HG21 THR 10 3HG2 THR 10 -5.039 -4.161 -7.354 87 HG22 THR 10 1HG2 THR 10 -4.530 -5.393 -6.197 88 HG23 THR 10 2HG2 THR 10 -3.992 -5.485 -7.875 89 H PHE 11 H PHE 11 -1.134 -3.742 -4.500 90 HA PHE 11 HA PHE 11 0.085 -1.322 -3.813 91 HB2 PHE 11 2HB PHE 11 1.326 -4.004 -4.469 92 HB3 PHE 11 3HB PHE 11 2.227 -2.652 -3.798 93 HD1 PHE 11 HD1 PHE 11 1.877 -1.930 -1.498 94 HD2 PHE 11 HD2 PHE 11 -0.244 -5.257 -3.104 95 HE1 PHE 11 HE1 PHE 11 1.245 -2.621 0.776 96 HE2 PHE 11 HE2 PHE 11 -0.880 -5.949 -0.830 97 HZ PHE 11 HZ PHE 11 -0.134 -4.633 1.114 98 H ALA 12 H ALA 12 0.381 -3.226 -6.811 99 HA ALA 12 HA ALA 12 2.333 -1.674 -8.090 100 HB1 ALA 12 3HB ALA 12 1.592 -3.874 -8.909 101 HB2 ALA 12 1HB ALA 12 1.545 -2.646 -10.176 102 HB3 ALA 12 2HB ALA 12 0.051 -3.166 -9.394 103 H GLN 13 H GLN 13 -1.209 -1.348 -8.093 104 HA GLN 13 HA GLN 13 -1.368 0.875 -9.831 105 HB2 GLN 13 2HB GLN 13 -3.235 0.063 -7.586 106 HB3 GLN 13 3HB GLN 13 -3.623 1.214 -8.859 107 HG2 GLN 13 2HG GLN 13 -3.446 -0.538 -10.534 108 HG3 GLN 13 3HG GLN 13 -2.960 -1.696 -9.297 109 HE21 GLN 13 1HE2 GLN 13 -5.456 0.728 -8.832 110 HE22 GLN 13 2HE2 GLN 13 -6.775 -0.385 -8.760 111 H ALA 14 H ALA 14 -1.071 0.666 -6.295 112 HA ALA 14 HA ALA 14 -1.337 3.395 -5.688 113 HB1 ALA 14 3HB ALA 14 -1.421 1.619 -4.001 114 HB2 ALA 14 1HB ALA 14 -0.251 2.866 -3.571 115 HB3 ALA 14 2HB ALA 14 0.304 1.324 -4.224 116 H LEU 15 H LEU 15 1.605 1.498 -6.373 117 HA LEU 15 HA LEU 15 3.470 3.578 -6.091 118 HB2 LEU 15 2HB LEU 15 3.581 1.147 -7.885 119 HB3 LEU 15 3HB LEU 15 4.951 2.179 -7.515 120 HG LEU 15 HG LEU 15 3.423 0.472 -5.540 121 HD11 LEU 15 1HD1 LEU 15 4.852 -0.837 -7.010 122 HD12 LEU 15 2HD1 LEU 15 5.510 -0.799 -5.373 123 HD13 LEU 15 3HD1 LEU 15 6.225 0.207 -6.634 124 HD21 LEU 15 3HD2 LEU 15 4.178 2.515 -4.468 125 HD22 LEU 15 1HD2 LEU 15 5.807 2.277 -5.101 126 HD23 LEU 15 2HD2 LEU 15 5.145 1.149 -3.919 127 H GLN 16 H GLN 16 1.372 2.738 -8.780 128 HA GLN 16 HA GLN 16 2.622 4.571 -10.627 129 HB2 GLN 16 2HB GLN 16 -0.084 3.217 -10.750 130 HB3 GLN 16 3HB GLN 16 0.661 4.113 -12.068 131 HG2 GLN 16 2HG GLN 16 1.683 1.566 -10.821 132 HG3 GLN 16 3HG GLN 16 0.935 1.740 -12.407 133 HE21 GLN 16 1HE2 GLN 16 3.800 2.305 -10.518 134 HE22 GLN 16 2HE2 GLN 16 4.847 2.662 -11.841 135 H THR 17 H THR 17 -0.032 4.716 -8.326 136 HA THR 17 HA THR 17 -1.180 7.156 -9.182 137 HB THR 17 HB THR 17 -1.108 6.095 -6.343 138 HG1 THR 17 HG1 THR 17 -3.373 5.691 -7.888 139 HG21 THR 17 3HG2 THR 17 -1.871 8.422 -6.517 140 HG22 THR 17 1HG2 THR 17 -3.201 7.352 -6.075 141 HG23 THR 17 2HG2 THR 17 -3.059 7.947 -7.729 142 H HIS 18 H HIS 18 1.176 6.502 -6.572 143 HA HIS 18 HA HIS 18 2.416 9.109 -7.043 144 HB2 HIS 18 2HB HIS 18 0.967 8.356 -4.556 145 HB3 HIS 18 3HB HIS 18 2.504 9.178 -4.343 146 HD1 HIS 18 HD1 HIS 18 0.995 10.485 -7.341 147 HD2 HIS 18 HD2 HIS 18 0.542 11.132 -3.267 148 HE1 HIS 18 HE1 HIS 18 -0.102 12.728 -7.135 149 HE2 HIS 18 HE2 HIS 18 -0.120 13.200 -4.665 150 HA PRO 19 HA PRO 19 6.034 6.427 -6.707 151 HB2 PRO 19 2HB PRO 19 7.350 9.089 -6.374 152 HB3 PRO 19 3HB PRO 19 7.764 7.759 -7.461 153 HG2 PRO 19 2HG PRO 19 6.549 9.924 -8.407 154 HG3 PRO 19 3HG PRO 19 6.086 8.311 -8.985 155 HD2 PRO 19 2HD PRO 19 4.683 10.103 -7.034 156 HD3 PRO 19 3HD PRO 19 3.997 9.062 -8.298 157 H GLY 20 H GLY 20 5.252 9.041 -4.464 158 HA2 GLY 20 2HA GLY 20 7.105 8.450 -2.425 159 HA3 GLY 20 3HA GLY 20 5.587 9.301 -2.207 160 H VAL 21 H VAL 21 4.241 6.756 -3.348 161 HA VAL 21 HA VAL 21 3.434 5.631 -0.913 162 HB VAL 21 HB VAL 21 3.285 4.451 -3.698 163 HG11 VAL 21 1HG1 VAL 21 3.098 2.662 -2.054 164 HG12 VAL 21 2HG1 VAL 21 1.534 2.967 -2.807 165 HG13 VAL 21 3HG1 VAL 21 1.860 3.568 -1.182 166 HG21 VAL 21 3HG2 VAL 21 1.211 5.909 -2.049 167 HG22 VAL 21 1HG2 VAL 21 0.968 5.233 -3.660 168 HG23 VAL 21 2HG2 VAL 21 2.088 6.575 -3.426 169 H ALA 22 H ALA 22 6.014 4.659 -3.128 170 HA ALA 22 HA ALA 22 6.668 2.154 -2.141 171 HB1 ALA 22 3HB ALA 22 8.589 4.282 -3.093 172 HB2 ALA 22 1HB ALA 22 7.711 3.150 -4.122 173 HB3 ALA 22 2HB ALA 22 8.924 2.553 -2.991 174 H GLY 23 H GLY 23 7.939 5.303 -1.011 175 HA2 GLY 23 2HA GLY 23 9.467 4.328 1.133 176 HA3 GLY 23 3HA GLY 23 8.810 5.949 1.013 177 H VAL 24 H VAL 24 6.040 5.235 1.009 178 HA VAL 24 HA VAL 24 5.514 5.029 3.778 179 HB VAL 24 HB VAL 24 3.597 4.520 1.488 180 HG11 VAL 24 1HG1 VAL 24 2.738 3.693 3.620 181 HG12 VAL 24 2HG1 VAL 24 1.843 5.121 3.100 182 HG13 VAL 24 3HG1 VAL 24 3.059 5.255 4.371 183 HG21 VAL 24 3HG2 VAL 24 4.653 6.705 1.282 184 HG22 VAL 24 1HG2 VAL 24 4.233 7.086 2.952 185 HG23 VAL 24 2HG2 VAL 24 2.962 6.880 1.748 186 H LEU 25 H LEU 25 5.166 2.650 1.149 187 HA LEU 25 HA LEU 25 4.239 0.496 2.676 188 HB2 LEU 25 2HB LEU 25 6.013 0.419 0.227 189 HB3 LEU 25 3HB LEU 25 5.091 -0.933 0.861 190 HG LEU 25 HG LEU 25 3.924 1.621 -0.272 191 HD11 LEU 25 1HD1 LEU 25 3.146 0.214 -2.110 192 HD12 LEU 25 2HD1 LEU 25 3.970 -1.177 -1.405 193 HD13 LEU 25 3HD1 LEU 25 4.905 0.198 -1.993 194 HD21 LEU 25 3HD2 LEU 25 2.516 0.726 1.503 195 HD22 LEU 25 1HD2 LEU 25 2.546 -0.869 0.749 196 HD23 LEU 25 2HD2 LEU 25 1.759 0.480 -0.069 197 H ARG 26 H ARG 26 7.597 1.340 1.783 198 HA ARG 26 HA ARG 26 8.922 -0.633 3.262 199 HB2 ARG 26 2HB ARG 26 9.779 2.218 2.702 200 HB3 ARG 26 3HB ARG 26 10.847 0.933 3.259 201 HG2 ARG 26 2HG ARG 26 10.496 -0.306 1.208 202 HG3 ARG 26 3HG ARG 26 9.314 0.883 0.659 203 HD2 ARG 26 2HD ARG 26 11.506 1.201 -0.408 204 HD3 ARG 26 3HD ARG 26 11.031 2.596 0.560 205 HE ARG 26 HE ARG 26 12.679 2.042 2.143 206 HH11 ARG 26 1HH1 ARG 26 12.707 -0.098 -0.573 207 HH12 ARG 26 2HH1 ARG 26 14.278 -0.716 -0.193 208 HH21 ARG 26 1HH2 ARG 26 14.690 1.245 2.592 209 HH22 ARG 26 2HH2 ARG 26 15.389 0.043 1.564 210 H SER 27 H SER 27 7.846 2.597 4.253 211 HA SER 27 HA SER 27 8.823 2.606 6.880 212 HB2 SER 27 2HB SER 27 7.981 4.629 5.789 213 HB3 SER 27 3HB SER 27 6.352 3.960 5.753 214 HG SER 27 HG SER 27 6.379 5.235 7.516 215 H TYR 28 H TYR 28 5.835 1.269 5.552 216 HA TYR 28 HA TYR 28 4.886 0.459 8.188 217 HB2 TYR 28 2HB TYR 28 3.718 0.464 5.430 218 HB3 TYR 28 3HB TYR 28 3.021 -0.590 6.655 219 HD1 TYR 28 HD2 TYR 28 4.007 2.995 6.147 220 HD2 TYR 28 HD1 TYR 28 1.362 0.240 8.044 221 HE1 TYR 28 HE2 TYR 28 2.682 4.874 7.026 222 HE2 TYR 28 HE1 TYR 28 0.041 2.113 8.925 223 HH TYR 28 HH TYR 28 0.050 4.349 9.308 224 H ASN 29 H ASN 29 7.241 -0.779 6.449 225 HA ASN 29 HA ASN 29 8.294 -2.793 6.387 226 HB2 ASN 29 2HB ASN 29 7.518 -2.903 8.782 227 HB3 ASN 29 3HB ASN 29 6.111 -3.807 8.232 228 HD21 ASN 29 1HD2 ASN 29 6.675 -5.603 9.448 229 HD22 ASN 29 2HD2 ASN 29 7.993 -6.637 9.018 230 H LEU 30 H LEU 30 5.862 -2.106 4.675 231 HA LEU 30 HA LEU 30 5.001 -4.733 3.750 232 HB2 LEU 30 2HB LEU 30 4.359 -1.939 2.792 233 HB3 LEU 30 3HB LEU 30 3.691 -3.396 2.082 234 HG LEU 30 HG LEU 30 3.269 -2.539 4.952 235 HD11 LEU 30 1HD1 LEU 30 1.418 -2.339 2.573 236 HD12 LEU 30 2HD1 LEU 30 2.191 -0.992 3.409 237 HD13 LEU 30 3HD1 LEU 30 0.994 -1.978 4.246 238 HD21 LEU 30 3HD2 LEU 30 3.132 -4.950 4.675 239 HD22 LEU 30 1HD2 LEU 30 2.023 -4.757 3.315 240 HD23 LEU 30 2HD2 LEU 30 1.524 -4.280 4.938 241 H GLY 31 H GLY 31 7.735 -2.947 3.291 242 HA2 GLY 31 2HA GLY 31 8.165 -2.789 0.544 243 HA3 GLY 31 3HA GLY 31 9.435 -2.995 1.738 244 H CYS 32 H CYS 32 8.145 -5.622 2.551 245 HA CYS 32 HA CYS 32 9.664 -7.364 0.927 246 HB2 CYS 32 2HB CYS 32 7.389 -8.027 2.810 247 HB3 CYS 32 3HB CYS 32 8.541 -9.184 2.155 248 HG CYS 32 HG CYS 32 9.370 -8.854 4.718 249 H ILE 33 H ILE 33 6.824 -5.855 0.071 250 HA ILE 33 HA ILE 33 5.279 -7.815 -1.178 251 HB ILE 33 HB ILE 33 4.526 -6.001 -2.747 252 HG12 ILE 33 2HG1 ILE 33 6.469 -4.307 -1.143 253 HG13 ILE 33 3HG1 ILE 33 6.639 -4.734 -2.843 254 HG21 ILE 33 1HG2 ILE 33 3.404 -4.677 -1.004 255 HG22 ILE 33 2HG2 ILE 33 4.491 -5.364 0.203 256 HG23 ILE 33 3HG2 ILE 33 3.364 -6.407 -0.662 257 HD11 ILE 33 3HD1 ILE 33 5.832 -2.476 -2.607 258 HD12 ILE 33 1HD1 ILE 33 4.466 -3.033 -1.644 259 HD13 ILE 33 2HD1 ILE 33 4.588 -3.487 -3.343 260 H GLY 34 H GLY 34 8.367 -6.570 -2.131 261 HA2 GLY 34 2HA GLY 34 8.262 -7.125 -4.909 262 HA3 GLY 34 3HA GLY 34 9.720 -6.983 -3.944 263 H CYS 35 H CYS 35 9.622 -9.065 -2.238 264 HA CYS 35 HA CYS 35 10.346 -11.247 -3.942 265 HB2 CYS 35 2HB CYS 35 11.561 -10.795 -1.868 266 HB3 CYS 35 3HB CYS 35 10.111 -11.127 -0.926 267 HG CYS 35 HG CYS 35 12.402 -13.214 -2.049 268 H MET 36 H MET 36 7.642 -10.689 -1.696 269 HA MET 36 HA MET 36 6.466 -13.274 -2.136 270 HB2 MET 36 2HB MET 36 4.574 -12.441 -0.848 271 HB3 MET 36 3HB MET 36 6.081 -12.003 -0.055 272 HG2 MET 36 2HG MET 36 5.893 -9.740 -0.984 273 HG3 MET 36 3HG MET 36 4.367 -10.186 -1.740 274 HE1 MET 36 3HE MET 36 3.012 -12.011 0.493 275 HE2 MET 36 1HE MET 36 2.147 -10.746 -0.381 276 HE3 MET 36 2HE MET 36 2.069 -10.809 1.378 277 H GLY 37 H GLY 37 6.601 -10.504 -4.049 278 HA2 GLY 37 2HA GLY 37 5.627 -9.973 -6.059 279 HA3 GLY 37 3HA GLY 37 4.969 -11.601 -6.084 280 H ALA 38 H ALA 38 4.324 -9.081 -3.679 281 HA ALA 38 HA ALA 38 1.477 -9.489 -3.999 282 HB1 ALA 38 3HB ALA 38 2.446 -9.241 -1.773 283 HB2 ALA 38 1HB ALA 38 1.244 -7.989 -2.089 284 HB3 ALA 38 2HB ALA 38 2.965 -7.604 -2.173 285 H GLN 39 H GLN 39 3.344 -7.914 -5.989 286 HA GLN 39 HA GLN 39 2.483 -5.256 -6.144 287 HB2 GLN 39 2HB GLN 39 3.206 -7.105 -8.435 288 HB3 GLN 39 3HB GLN 39 3.161 -5.348 -8.509 289 HG2 GLN 39 2HG GLN 39 5.015 -6.968 -6.764 290 HG3 GLN 39 3HG GLN 39 5.443 -6.245 -8.313 291 HE21 GLN 39 1HE2 GLN 39 4.725 -5.619 -4.966 292 HE22 GLN 39 2HE2 GLN 39 5.276 -3.984 -4.954 293 H ASN 40 H ASN 40 1.068 -8.198 -7.496 294 HA ASN 40 HA ASN 40 -1.151 -6.758 -8.727 295 HB2 ASN 40 2HB ASN 40 -0.455 -9.708 -8.644 296 HB3 ASN 40 3HB ASN 40 -1.787 -9.014 -9.565 297 HD21 ASN 40 1HD2 ASN 40 0.816 -10.424 -10.262 298 HD22 ASN 40 2HD2 ASN 40 1.505 -9.417 -11.484 299 H GLU 41 H GLU 41 -0.692 -7.237 -5.674 300 HA GLU 41 HA GLU 41 -3.297 -8.481 -5.065 301 HB2 GLU 41 2HB GLU 41 -1.372 -9.661 -4.118 302 HB3 GLU 41 3HB GLU 41 -0.828 -8.187 -3.331 303 HG2 GLU 41 2HG GLU 41 -2.646 -8.209 -1.817 304 HG3 GLU 41 3HG GLU 41 -3.493 -9.448 -2.742 305 H SER 42 H SER 42 -4.805 -7.390 -3.827 306 HA SER 42 HA SER 42 -4.761 -4.559 -3.875 307 HB2 SER 42 2HB SER 42 -6.602 -6.488 -2.449 308 HB3 SER 42 3HB SER 42 -6.855 -4.744 -2.471 309 HG SER 42 HG SER 42 -7.317 -4.806 -4.582 310 H LEU 43 H LEU 43 -4.798 -3.039 -2.161 311 HA LEU 43 HA LEU 43 -2.705 -3.214 -0.369 312 HB2 LEU 43 2HB LEU 43 -5.170 -1.479 -0.195 313 HB3 LEU 43 3HB LEU 43 -3.720 -1.239 0.763 314 HG LEU 43 HG LEU 43 -3.904 -1.041 -2.251 315 HD11 LEU 43 1HD1 LEU 43 -3.490 1.103 -0.168 316 HD12 LEU 43 2HD1 LEU 43 -4.962 0.839 -1.106 317 HD13 LEU 43 3HD1 LEU 43 -3.477 1.333 -1.917 318 HD21 LEU 43 3HD2 LEU 43 -1.586 -0.218 -2.132 319 HD22 LEU 43 1HD2 LEU 43 -1.728 -1.891 -1.593 320 HD23 LEU 43 2HD2 LEU 43 -1.552 -0.597 -0.410 321 H GLU 44 H GLU 44 -6.173 -3.755 0.368 322 HA GLU 44 HA GLU 44 -5.789 -4.232 3.127 323 HB2 GLU 44 2HB GLU 44 -8.011 -3.752 2.198 324 HB3 GLU 44 3HB GLU 44 -7.994 -5.288 1.338 325 HG2 GLU 44 2HG GLU 44 -7.942 -6.495 3.457 326 HG3 GLU 44 3HG GLU 44 -7.902 -4.971 4.338 327 H GLN 45 H GLN 45 -5.854 -6.466 0.368 328 HA GLN 45 HA GLN 45 -5.686 -8.879 1.771 329 HB2 GLN 45 2HB GLN 45 -4.584 -8.131 -0.943 330 HB3 GLN 45 3HB GLN 45 -4.639 -9.776 -0.330 331 HG2 GLN 45 2HG GLN 45 -7.092 -9.630 -0.203 332 HG3 GLN 45 3HG GLN 45 -7.015 -7.995 -0.859 333 HE21 GLN 45 1HE2 GLN 45 -8.242 -8.579 -2.669 334 HE22 GLN 45 2HE2 GLN 45 -7.585 -9.533 -3.952 335 H GLY 46 H GLY 46 -2.998 -7.003 0.316 336 HA2 GLY 46 2HA GLY 46 -0.901 -8.509 1.434 337 HA3 GLY 46 3HA GLY 46 -0.773 -6.851 0.877 338 H ALA 47 H ALA 47 -2.638 -5.695 2.717 339 HA ALA 47 HA ALA 47 -1.045 -5.158 4.949 340 HB1 ALA 47 3HB ALA 47 -2.846 -3.679 4.226 341 HB2 ALA 47 1HB ALA 47 -3.036 -4.110 5.926 342 HB3 ALA 47 2HB ALA 47 -4.044 -4.883 4.702 343 H ASN 48 H ASN 48 -4.052 -7.132 4.906 344 HA ASN 48 HA ASN 48 -3.738 -8.185 7.493 345 HB2 ASN 48 2HB ASN 48 -5.226 -9.290 5.102 346 HB3 ASN 48 3HB ASN 48 -5.291 -10.021 6.703 347 HD21 ASN 48 1HD2 ASN 48 -6.340 -7.401 4.724 348 HD22 ASN 48 2HD2 ASN 48 -7.430 -6.709 5.865 349 H ALA 49 H ALA 49 -2.498 -9.329 4.379 350 HA ALA 49 HA ALA 49 -1.443 -11.793 5.182 351 HB1 ALA 49 3HB ALA 49 0.102 -11.572 3.293 352 HB2 ALA 49 1HB ALA 49 -0.297 -9.859 3.162 353 HB3 ALA 49 2HB ALA 49 -1.529 -11.078 2.842 354 H HIS 50 H HIS 50 -0.153 -8.522 5.586 355 HA HIS 50 HA HIS 50 2.205 -9.562 7.005 356 HB2 HIS 50 2HB HIS 50 1.445 -6.777 6.098 357 HB3 HIS 50 3HB HIS 50 2.858 -7.109 7.093 358 HD1 HIS 50 HD1 HIS 50 4.798 -6.819 5.589 359 HD2 HIS 50 HD2 HIS 50 1.739 -8.957 3.763 360 HE1 HIS 50 HE1 HIS 50 5.697 -7.495 3.349 361 HE2 HIS 50 HE2 HIS 50 3.936 -9.014 2.399 362 H GLY 51 H GLY 51 -0.897 -8.943 7.798 363 HA2 GLY 51 2HA GLY 51 -1.988 -8.723 9.808 364 HA3 GLY 51 3HA GLY 51 -0.431 -8.906 10.598 365 H LEU 52 H LEU 52 -1.627 -6.381 8.385 366 HA LEU 52 HA LEU 52 -1.168 -4.382 10.511 367 HB2 LEU 52 2HB LEU 52 -0.527 -4.112 7.567 368 HB3 LEU 52 3HB LEU 52 -0.355 -2.838 8.761 369 HG LEU 52 HG LEU 52 1.195 -5.437 8.777 370 HD11 LEU 52 1HD1 LEU 52 3.110 -4.054 8.117 371 HD12 LEU 52 2HD1 LEU 52 2.042 -2.659 7.958 372 HD13 LEU 52 3HD1 LEU 52 1.841 -4.050 6.892 373 HD21 LEU 52 3HD2 LEU 52 1.484 -2.949 10.466 374 HD22 LEU 52 1HD2 LEU 52 2.552 -4.351 10.500 375 HD23 LEU 52 2HD2 LEU 52 0.875 -4.511 11.012 376 H ASN 53 H ASN 53 -2.538 -2.584 10.549 377 HA ASN 53 HA ASN 53 -5.182 -2.941 9.548 378 HB2 ASN 53 2HB ASN 53 -4.644 -1.761 11.675 379 HB3 ASN 53 3HB ASN 53 -3.938 -0.446 10.742 380 HD21 ASN 53 1HD2 ASN 53 -6.075 -0.190 12.569 381 HD22 ASN 53 2HD2 ASN 53 -7.470 0.322 11.685 382 H VAL 54 H VAL 54 -5.633 -2.729 7.431 383 HA VAL 54 HA VAL 54 -4.171 -1.293 5.536 384 HB VAL 54 HB VAL 54 -5.712 -3.063 4.889 385 HG11 VAL 54 1HG1 VAL 54 -7.496 -2.650 6.503 386 HG12 VAL 54 2HG1 VAL 54 -8.134 -2.723 4.860 387 HG13 VAL 54 3HG1 VAL 54 -7.931 -1.163 5.658 388 HG21 VAL 54 3HG2 VAL 54 -5.095 -1.394 3.205 389 HG22 VAL 54 1HG2 VAL 54 -6.483 -0.409 3.663 390 HG23 VAL 54 2HG2 VAL 54 -6.730 -1.993 2.931 391 H GLU 55 H GLU 55 -6.845 -0.221 7.575 392 HA GLU 55 HA GLU 55 -7.528 2.114 6.141 393 HB2 GLU 55 2HB GLU 55 -7.899 1.346 9.035 394 HB3 GLU 55 3HB GLU 55 -8.531 2.842 8.361 395 HG2 GLU 55 2HG GLU 55 -9.865 1.558 6.759 396 HG3 GLU 55 3HG GLU 55 -9.225 0.058 7.430 397 H ASP 56 H ASP 56 -5.337 1.664 8.930 398 HA ASP 56 HA ASP 56 -4.597 4.384 9.140 399 HB2 ASP 56 2HB ASP 56 -4.223 2.658 10.916 400 HB3 ASP 56 3HB ASP 56 -2.924 1.983 9.933 401 H ILE 57 H ILE 57 -3.321 1.716 7.206 402 HA ILE 57 HA ILE 57 -1.081 3.036 6.102 403 HB ILE 57 HB ILE 57 -2.854 0.968 4.764 404 HG12 ILE 57 2HG1 ILE 57 -0.337 0.571 6.413 405 HG13 ILE 57 3HG1 ILE 57 -1.972 0.215 6.956 406 HG21 ILE 57 1HG2 ILE 57 -1.403 2.112 3.170 407 HG22 ILE 57 2HG2 ILE 57 -0.881 0.444 3.399 408 HG23 ILE 57 3HG2 ILE 57 0.004 1.761 4.173 409 HD11 ILE 57 3HD1 ILE 57 -0.565 -1.116 4.652 410 HD12 ILE 57 1HD1 ILE 57 -2.188 -1.486 5.234 411 HD13 ILE 57 2HD1 ILE 57 -0.789 -1.796 6.264 412 H LEU 58 H LEU 58 -4.448 2.787 4.953 413 HA LEU 58 HA LEU 58 -4.234 4.348 2.646 414 HB2 LEU 58 2HB LEU 58 -6.594 4.032 4.509 415 HB3 LEU 58 3HB LEU 58 -6.680 4.754 2.915 416 HG LEU 58 HG LEU 58 -5.953 1.881 3.514 417 HD11 LEU 58 1HD1 LEU 58 -8.433 3.070 2.265 418 HD12 LEU 58 2HD1 LEU 58 -8.318 2.361 3.876 419 HD13 LEU 58 3HD1 LEU 58 -8.087 1.349 2.450 420 HD21 LEU 58 3HD2 LEU 58 -6.031 1.566 1.082 421 HD22 LEU 58 1HD2 LEU 58 -4.761 2.698 1.550 422 HD23 LEU 58 2HD2 LEU 58 -6.272 3.301 0.866 423 H ARG 59 H ARG 59 -4.604 5.330 6.011 424 HA ARG 59 HA ARG 59 -5.174 8.042 5.682 425 HB2 ARG 59 2HB ARG 59 -5.203 7.070 7.880 426 HB3 ARG 59 3HB ARG 59 -3.504 6.628 7.769 427 HG2 ARG 59 2HG ARG 59 -2.915 9.033 7.729 428 HG3 ARG 59 3HG ARG 59 -4.622 9.425 7.946 429 HD2 ARG 59 2HD ARG 59 -3.299 9.483 10.056 430 HD3 ARG 59 3HD ARG 59 -4.658 8.361 10.097 431 HE ARG 59 HE ARG 59 -3.187 6.618 10.300 432 HH11 ARG 59 1HH1 ARG 59 -1.418 9.416 9.320 433 HH12 ARG 59 2HH1 ARG 59 0.112 8.677 9.625 434 HH21 ARG 59 1HH2 ARG 59 -1.215 5.703 10.702 435 HH22 ARG 59 2HH2 ARG 59 0.229 6.616 10.409 436 H ASP 60 H ASP 60 -1.933 6.537 5.985 437 HA ASP 60 HA ASP 60 -0.493 8.922 5.490 438 HB2 ASP 60 2HB ASP 60 0.281 6.640 6.509 439 HB3 ASP 60 3HB ASP 60 0.611 6.195 4.838 440 H LEU 61 H LEU 61 -1.554 6.302 3.343 441 HA LEU 61 HA LEU 61 -0.293 7.141 0.985 442 HB2 LEU 61 2HB LEU 61 -2.907 5.674 1.346 443 HB3 LEU 61 3HB LEU 61 -2.067 5.838 -0.183 444 HG LEU 61 HG LEU 61 -1.052 4.371 2.258 445 HD11 LEU 61 1HD1 LEU 61 -2.817 3.168 1.110 446 HD12 LEU 61 2HD1 LEU 61 -1.263 2.379 0.842 447 HD13 LEU 61 3HD1 LEU 61 -1.980 3.369 -0.431 448 HD21 LEU 61 3HD2 LEU 61 0.799 5.421 1.071 449 HD22 LEU 61 1HD2 LEU 61 0.234 4.732 -0.452 450 HD23 LEU 61 2HD2 LEU 61 0.819 3.675 0.833 451 H ASN 62 H ASN 62 -3.641 7.857 2.079 452 HA ASN 62 HA ASN 62 -4.197 9.616 -0.083 453 HB2 ASN 62 2HB ASN 62 -5.524 9.202 2.593 454 HB3 ASN 62 3HB ASN 62 -6.069 10.457 1.481 455 HD21 ASN 62 1HD2 ASN 62 -5.961 7.063 2.112 456 HD22 ASN 62 2HD2 ASN 62 -6.994 6.582 0.817 457 H ALA 63 H ALA 63 -2.606 10.078 2.991 458 HA ALA 63 HA ALA 63 -2.641 12.890 3.113 459 HB1 ALA 63 3HB ALA 63 -0.459 11.015 4.042 460 HB2 ALA 63 1HB ALA 63 -1.880 11.487 4.975 461 HB3 ALA 63 2HB ALA 63 -0.669 12.692 4.544 462 H LEU 64 H LEU 64 -0.693 10.666 1.210 463 HA LEU 64 HA LEU 64 1.177 12.560 0.204 464 HB2 LEU 64 2HB LEU 64 0.168 10.004 -1.062 465 HB3 LEU 64 3HB LEU 64 1.584 10.900 -1.579 466 HG LEU 64 HG LEU 64 1.261 9.512 1.091 467 HD11 LEU 64 1HD1 LEU 64 2.973 7.974 0.210 468 HD12 LEU 64 2HD1 LEU 64 2.881 8.783 -1.352 469 HD13 LEU 64 3HD1 LEU 64 1.479 7.921 -0.719 470 HD21 LEU 64 3HD2 LEU 64 3.621 10.041 1.434 471 HD22 LEU 64 1HD2 LEU 64 2.676 11.517 1.239 472 HD23 LEU 64 2HD2 LEU 64 3.664 10.919 -0.096 473 H ALA 65 H ALA 65 -2.118 11.811 -0.610 474 HA ALA 65 HA ALA 65 -2.083 13.177 -3.161 475 HB1 ALA 65 3HB ALA 65 -4.435 12.227 -1.514 476 HB2 ALA 65 1HB ALA 65 -3.605 11.290 -2.759 477 HB3 ALA 65 2HB ALA 65 -4.483 12.756 -3.197 478 H LEU 66 H LEU 66 -3.435 13.829 0.069 479 HA LEU 66 HA LEU 66 -4.384 16.440 -0.561 480 HB2 LEU 66 2HB LEU 66 -3.800 15.108 2.088 481 HB3 LEU 66 3HB LEU 66 -4.567 16.677 1.932 482 HG LEU 66 HG LEU 66 -5.705 14.090 0.848 483 HD11 LEU 66 1HD1 LEU 66 -7.327 14.252 2.666 484 HD12 LEU 66 2HD1 LEU 66 -6.492 15.672 3.297 485 HD13 LEU 66 3HD1 LEU 66 -5.686 14.105 3.290 486 HD21 LEU 66 3HD2 LEU 66 -6.920 16.851 1.060 487 HD22 LEU 66 1HD2 LEU 66 -7.738 15.395 0.486 488 HD23 LEU 66 2HD2 LEU 66 -6.389 16.065 -0.429 489 H GLU 67 H GLU 67 -1.646 15.387 1.466 490 HA GLU 67 HA GLU 67 0.279 16.355 2.111 491 HB2 GLU 67 2HB GLU 67 -0.052 18.002 -0.406 492 HB3 GLU 67 3HB GLU 67 1.424 17.893 0.549 493 HG2 GLU 67 2HG GLU 67 1.442 15.436 0.121 494 HG3 GLU 67 3HG GLU 67 0.068 15.659 -0.958 495 H HIS 68 H HIS 68 -1.465 19.199 0.757 496 HA HIS 68 HA HIS 68 -0.797 20.963 2.810 497 HB2 HIS 68 2HB HIS 68 -2.772 22.305 2.083 498 HB3 HIS 68 3HB HIS 68 -1.733 21.809 0.753 499 HD1 HIS 68 HD1 HIS 68 -5.021 20.779 2.367 500 HD2 HIS 68 HD2 HIS 68 -3.046 20.556 -1.278 501 HE1 HIS 68 HE1 HIS 68 -6.689 19.827 0.754 502 HE2 HIS 68 HE2 HIS 68 -5.432 19.587 -1.410 503 H HIS 69 H HIS 69 -1.305 21.007 4.895 504 HA HIS 69 HA HIS 69 -3.169 19.121 6.002 505 HB2 HIS 69 2HB HIS 69 -1.532 21.300 7.327 506 HB3 HIS 69 3HB HIS 69 -2.449 20.065 8.188 507 HD1 HIS 69 HD1 HIS 69 -1.142 18.034 8.790 508 HD2 HIS 69 HD2 HIS 69 0.528 20.043 5.556 509 HE1 HIS 69 HE1 HIS 69 0.963 16.787 8.235 510 HE2 HIS 69 HE2 HIS 69 1.856 17.913 6.177 511 H HIS 70 H HIS 70 -3.289 22.487 5.156 512 HA HIS 70 HA HIS 70 -5.722 23.057 6.576 513 HB2 HIS 70 2HB HIS 70 -4.328 24.457 4.281 514 HB3 HIS 70 3HB HIS 70 -5.816 25.051 5.011 515 HD1 HIS 70 HD1 HIS 70 -2.315 25.578 5.205 516 HD2 HIS 70 HD2 HIS 70 -5.367 25.324 8.013 517 HE1 HIS 70 HE1 HIS 70 -1.430 26.701 7.265 518 HE2 HIS 70 HE2 HIS 70 -3.362 26.706 8.873 519 H HIS 71 H HIS 71 -7.814 22.845 5.894 520 HA HIS 71 HA HIS 71 -8.344 21.844 3.193 521 HB2 HIS 71 2HB HIS 71 -9.708 19.958 4.121 522 HB3 HIS 71 3HB HIS 71 -7.983 19.802 4.428 523 HD1 HIS 71 HD1 HIS 71 -7.224 19.712 6.848 524 HD2 HIS 71 HD2 HIS 71 -11.272 20.573 6.447 525 HE1 HIS 71 HE1 HIS 71 -8.176 19.559 9.163 526 HE2 HIS 71 HE2 HIS 71 -10.580 20.266 8.920 527 H HIS 72 H HIS 72 -10.403 22.273 2.429 528 HA HIS 72 HA HIS 72 -11.880 24.292 3.909 529 HB2 HIS 72 2HB HIS 72 -12.241 23.186 1.115 530 HB3 HIS 72 3HB HIS 72 -13.200 24.496 1.800 531 HD1 HIS 72 HD1 HIS 72 -12.074 26.806 2.016 532 HD2 HIS 72 HD2 HIS 72 -9.596 23.881 0.411 533 HE1 HIS 72 HE1 HIS 72 -10.085 28.033 1.108 534 HE2 HIS 72 HE2 HIS 72 -8.671 26.266 0.021 535 H HIS 73 H HIS 73 -12.191 20.908 3.186 536 HA HIS 73 HA HIS 73 -14.878 20.890 4.423 537 HB2 HIS 73 2HB HIS 73 -13.506 18.779 2.733 538 HB3 HIS 73 3HB HIS 73 -15.057 18.552 3.535 539 HD1 HIS 73 HD1 HIS 73 -14.643 18.446 0.408 540 HD2 HIS 73 HD2 HIS 73 -16.070 21.709 2.553 541 HE1 HIS 73 HE1 HIS 73 -15.967 19.805 -1.233 542 HE2 HIS 73 HE2 HIS 73 -16.939 21.688 0.118 Start of MODEL 7 1 H1 MET 1 1H MET 1 -17.753 11.586 -0.960 2 H2 MET 1 2H MET 1 -17.878 12.462 0.482 3 H3 MET 1 3H MET 1 -18.001 10.777 0.505 4 HA MET 1 HA MET 1 -15.587 12.330 -0.230 5 HB2 MET 1 2HB MET 1 -16.108 12.391 2.187 6 HB3 MET 1 3HB MET 1 -16.169 10.634 2.214 7 HG2 MET 1 2HG MET 1 -13.800 10.540 1.621 8 HG3 MET 1 3HG MET 1 -13.740 12.301 1.574 9 HE1 MET 1 3HE MET 1 -11.773 10.425 3.318 10 HE2 MET 1 1HE MET 1 -11.696 11.352 4.816 11 HE3 MET 1 2HE MET 1 -11.639 12.183 3.262 12 H THR 2 H THR 2 -13.948 11.181 -1.193 13 HA THR 2 HA THR 2 -14.234 8.256 -1.384 14 HB THR 2 HB THR 2 -15.267 9.064 -3.415 15 HG1 THR 2 HG1 THR 2 -14.220 7.648 -4.607 16 HG21 THR 2 3HG2 THR 2 -12.691 10.560 -3.934 17 HG22 THR 2 1HG2 THR 2 -14.240 11.291 -3.512 18 HG23 THR 2 2HG2 THR 2 -14.057 10.435 -5.043 19 H GLN 3 H GLN 3 -12.341 7.096 -1.647 20 HA GLN 3 HA GLN 3 -9.883 8.560 -0.982 21 HB2 GLN 3 2HB GLN 3 -10.505 5.593 -0.902 22 HB3 GLN 3 3HB GLN 3 -9.001 6.332 -0.367 23 HG2 GLN 3 2HG GLN 3 -10.139 7.500 1.403 24 HG3 GLN 3 3HG GLN 3 -11.703 6.933 0.824 25 HE21 GLN 3 1HE2 GLN 3 -10.772 4.226 0.272 26 HE22 GLN 3 2HE2 GLN 3 -10.562 3.474 1.812 27 H LYS 4 H LYS 4 -8.497 9.057 -2.600 28 HA LYS 4 HA LYS 4 -8.577 7.776 -5.164 29 HB2 LYS 4 2HB LYS 4 -6.529 9.679 -3.990 30 HB3 LYS 4 3HB LYS 4 -6.535 9.129 -5.662 31 HG2 LYS 4 2HG LYS 4 -8.863 10.100 -5.844 32 HG3 LYS 4 3HG LYS 4 -8.578 10.852 -4.274 33 HD2 LYS 4 2HD LYS 4 -6.893 11.269 -6.755 34 HD3 LYS 4 3HD LYS 4 -8.124 12.384 -6.161 35 HE2 LYS 4 2HE LYS 4 -6.823 12.641 -4.065 36 HE3 LYS 4 3HE LYS 4 -5.574 11.593 -4.741 37 HZ1 LYS 4 3HZ LYS 4 -5.280 13.204 -6.541 38 HZ2 LYS 4 1HZ LYS 4 -4.994 13.911 -5.034 39 HZ3 LYS 4 2HZ LYS 4 -6.443 14.215 -5.842 40 H PHE 5 H PHE 5 -6.689 7.355 -2.255 41 HA PHE 5 HA PHE 5 -5.418 4.985 -3.473 42 HB2 PHE 5 2HB PHE 5 -4.770 6.422 -0.879 43 HB3 PHE 5 3HB PHE 5 -3.942 4.987 -1.473 44 HD1 PHE 5 HD2 PHE 5 -2.396 5.129 -3.359 45 HD2 PHE 5 HD1 PHE 5 -4.378 8.600 -1.875 46 HE1 PHE 5 HE2 PHE 5 -0.821 6.556 -4.595 47 HE2 PHE 5 HE1 PHE 5 -2.803 10.028 -3.113 48 HZ PHE 5 HZ PHE 5 -1.022 9.008 -4.474 49 H THR 6 H THR 6 -6.945 3.394 -3.323 50 HA THR 6 HA THR 6 -8.452 3.128 -0.793 51 HB THR 6 HB THR 6 -9.902 3.451 -2.708 52 HG1 THR 6 HG1 THR 6 -11.211 2.031 -1.857 53 HG21 THR 6 3HG2 THR 6 -8.399 2.601 -4.463 54 HG22 THR 6 1HG2 THR 6 -9.999 1.859 -4.558 55 HG23 THR 6 2HG2 THR 6 -8.646 0.960 -3.871 56 H LYS 7 H LYS 7 -9.250 0.753 -0.481 57 HA LYS 7 HA LYS 7 -6.841 -0.826 -0.118 58 HB2 LYS 7 2HB LYS 7 -8.327 -2.337 1.174 59 HB3 LYS 7 3HB LYS 7 -8.357 -0.676 1.744 60 HG2 LYS 7 2HG LYS 7 -10.477 -0.302 0.582 61 HG3 LYS 7 3HG LYS 7 -10.449 -1.968 -0.004 62 HD2 LYS 7 2HD LYS 7 -11.902 -1.729 1.962 63 HD3 LYS 7 3HD LYS 7 -10.534 -2.794 2.294 64 HE2 LYS 7 2HE LYS 7 -9.366 -0.869 3.353 65 HE3 LYS 7 3HE LYS 7 -10.820 0.101 3.116 66 HZ1 LYS 7 3HZ LYS 7 -10.635 -2.380 4.741 67 HZ2 LYS 7 1HZ LYS 7 -12.034 -1.455 4.510 68 HZ3 LYS 7 2HZ LYS 7 -10.719 -0.799 5.345 69 H ASP 8 H ASP 8 -9.468 -0.732 -2.337 70 HA ASP 8 HA ASP 8 -9.405 -3.492 -3.130 71 HB2 ASP 8 2HB ASP 8 -11.414 -2.124 -3.442 72 HB3 ASP 8 3HB ASP 8 -10.538 -1.058 -4.535 73 H MET 9 H MET 9 -7.757 -0.575 -4.169 74 HA MET 9 HA MET 9 -6.756 -1.616 -6.630 75 HB2 MET 9 2HB MET 9 -5.347 0.364 -6.693 76 HB3 MET 9 3HB MET 9 -6.974 0.803 -6.199 77 HG2 MET 9 2HG MET 9 -6.133 0.719 -3.820 78 HG3 MET 9 3HG MET 9 -4.510 0.620 -4.495 79 HE1 MET 9 3HE MET 9 -3.464 2.516 -6.077 80 HE2 MET 9 1HE MET 9 -4.278 4.031 -6.461 81 HE3 MET 9 2HE MET 9 -4.881 2.513 -7.127 82 H THR 10 H THR 10 -4.691 -2.386 -7.134 83 HA THR 10 HA THR 10 -3.488 -3.976 -5.057 84 HB THR 10 HB THR 10 -2.128 -4.968 -6.752 85 HG1 THR 10 HG1 THR 10 -1.651 -4.008 -8.639 86 HG21 THR 10 3HG2 THR 10 -3.765 -5.602 -8.483 87 HG22 THR 10 1HG2 THR 10 -4.824 -4.296 -7.948 88 HG23 THR 10 2HG2 THR 10 -4.471 -5.644 -6.867 89 H PHE 11 H PHE 11 -1.185 -4.013 -4.590 90 HA PHE 11 HA PHE 11 -0.049 -1.595 -3.846 91 HB2 PHE 11 2HB PHE 11 1.270 -4.245 -4.471 92 HB3 PHE 11 3HB PHE 11 2.149 -2.876 -3.800 93 HD1 PHE 11 HD1 PHE 11 -0.349 -5.467 -3.135 94 HD2 PHE 11 HD2 PHE 11 1.794 -2.166 -1.510 95 HE1 PHE 11 HE1 PHE 11 -1.026 -6.145 -0.872 96 HE2 PHE 11 HE2 PHE 11 1.117 -2.840 0.755 97 HZ PHE 11 HZ PHE 11 -0.295 -4.832 1.077 98 H ALA 12 H ALA 12 0.429 -3.399 -6.867 99 HA ALA 12 HA ALA 12 2.400 -1.795 -8.032 100 HB1 ALA 12 3HB ALA 12 0.162 -3.254 -9.443 101 HB2 ALA 12 1HB ALA 12 1.696 -3.968 -8.941 102 HB3 ALA 12 2HB ALA 12 1.672 -2.704 -10.172 103 H GLN 13 H GLN 13 -1.161 -1.514 -8.274 104 HA GLN 13 HA GLN 13 -1.294 0.712 -9.959 105 HB2 GLN 13 2HB GLN 13 -3.165 -0.023 -7.687 106 HB3 GLN 13 3HB GLN 13 -3.537 1.118 -8.972 107 HG2 GLN 13 2HG GLN 13 -3.419 -0.661 -10.622 108 HG3 GLN 13 3HG GLN 13 -2.958 -1.814 -9.373 109 HE21 GLN 13 1HE2 GLN 13 -5.374 0.692 -8.943 110 HE22 GLN 13 2HE2 GLN 13 -6.725 -0.376 -8.822 111 H ALA 14 H ALA 14 -1.182 0.603 -6.398 112 HA ALA 14 HA ALA 14 -1.323 3.360 -5.900 113 HB1 ALA 14 3HB ALA 14 -1.636 1.661 -4.166 114 HB2 ALA 14 1HB ALA 14 -0.418 2.846 -3.692 115 HB3 ALA 14 2HB ALA 14 0.077 1.247 -4.254 116 H LEU 15 H LEU 15 1.579 1.284 -6.190 117 HA LEU 15 HA LEU 15 3.509 3.270 -5.768 118 HB2 LEU 15 2HB LEU 15 3.687 0.762 -7.445 119 HB3 LEU 15 3HB LEU 15 5.064 1.733 -6.959 120 HG LEU 15 HG LEU 15 3.219 0.236 -5.085 121 HD11 LEU 15 1HD1 LEU 15 6.073 -0.327 -5.905 122 HD12 LEU 15 2HD1 LEU 15 4.650 -1.264 -6.361 123 HD13 LEU 15 3HD1 LEU 15 5.160 -1.204 -4.676 124 HD21 LEU 15 3HD2 LEU 15 5.720 1.829 -4.497 125 HD22 LEU 15 1HD2 LEU 15 4.815 0.857 -3.333 126 HD23 LEU 15 2HD2 LEU 15 4.072 2.280 -4.061 127 H GLN 16 H GLN 16 1.778 2.376 -8.707 128 HA GLN 16 HA GLN 16 3.399 4.048 -10.416 129 HB2 GLN 16 2HB GLN 16 0.754 2.671 -10.926 130 HB3 GLN 16 3HB GLN 16 1.709 3.492 -12.153 131 HG2 GLN 16 2HG GLN 16 2.577 1.078 -10.566 132 HG3 GLN 16 3HG GLN 16 2.010 1.072 -12.234 133 HE21 GLN 16 1HE2 GLN 16 4.629 1.910 -10.108 134 HE22 GLN 16 2HE2 GLN 16 5.817 2.141 -11.339 135 H THR 17 H THR 17 0.696 4.574 -8.364 136 HA THR 17 HA THR 17 -0.389 6.864 -9.726 137 HB THR 17 HB THR 17 -0.696 6.081 -6.807 138 HG1 THR 17 HG1 THR 17 -1.454 4.516 -8.423 139 HG21 THR 17 3HG2 THR 17 -1.310 8.414 -7.203 140 HG22 THR 17 1HG2 THR 17 -2.752 7.443 -6.897 141 HG23 THR 17 2HG2 THR 17 -2.350 7.932 -8.544 142 H HIS 18 H HIS 18 1.423 6.592 -6.647 143 HA HIS 18 HA HIS 18 2.960 8.985 -7.354 144 HB2 HIS 18 2HB HIS 18 1.041 8.798 -5.116 145 HB3 HIS 18 3HB HIS 18 2.625 9.409 -4.659 146 HD1 HIS 18 HD1 HIS 18 0.513 10.162 -7.759 147 HD2 HIS 18 HD2 HIS 18 2.356 12.090 -4.574 148 HE1 HIS 18 HE1 HIS 18 0.180 12.611 -8.171 149 HE2 HIS 18 HE2 HIS 18 1.466 13.752 -6.335 150 HA PRO 19 HA PRO 19 6.214 6.167 -6.167 151 HB2 PRO 19 2HB PRO 19 8.194 8.109 -5.946 152 HB3 PRO 19 3HB PRO 19 7.724 7.300 -7.445 153 HG2 PRO 19 2HG PRO 19 6.880 9.973 -6.383 154 HG3 PRO 19 3HG PRO 19 7.289 9.505 -8.045 155 HD2 PRO 19 2HD PRO 19 4.741 9.795 -7.284 156 HD3 PRO 19 3HD PRO 19 5.214 8.497 -8.402 157 H GLY 20 H GLY 20 5.336 9.011 -4.291 158 HA2 GLY 20 2HA GLY 20 6.901 8.626 -2.001 159 HA3 GLY 20 3HA GLY 20 5.318 9.384 -2.024 160 H VAL 21 H VAL 21 4.002 6.954 -3.038 161 HA VAL 21 HA VAL 21 3.145 5.773 -0.676 162 HB VAL 21 HB VAL 21 3.125 4.600 -3.471 163 HG11 VAL 21 1HG1 VAL 21 2.779 2.825 -1.849 164 HG12 VAL 21 2HG1 VAL 21 1.266 3.183 -2.677 165 HG13 VAL 21 3HG1 VAL 21 1.532 3.772 -1.036 166 HG21 VAL 21 3HG2 VAL 21 0.819 5.443 -3.567 167 HG22 VAL 21 1HG2 VAL 21 1.977 6.750 -3.318 168 HG23 VAL 21 2HG2 VAL 21 1.010 6.158 -1.966 169 H ALA 22 H ALA 22 5.813 4.836 -2.790 170 HA ALA 22 HA ALA 22 6.375 2.289 -1.802 171 HB1 ALA 22 3HB ALA 22 7.437 3.218 -3.796 172 HB2 ALA 22 1HB ALA 22 8.644 2.624 -2.656 173 HB3 ALA 22 2HB ALA 22 8.340 4.357 -2.797 174 H GLY 23 H GLY 23 7.640 5.438 -0.674 175 HA2 GLY 23 2HA GLY 23 9.286 4.459 1.388 176 HA3 GLY 23 3HA GLY 23 8.589 6.072 1.321 177 H VAL 24 H VAL 24 5.874 5.461 1.462 178 HA VAL 24 HA VAL 24 5.473 5.134 4.241 179 HB VAL 24 HB VAL 24 3.417 4.844 2.033 180 HG11 VAL 24 1HG1 VAL 24 2.617 3.987 4.177 181 HG12 VAL 24 2HG1 VAL 24 1.787 5.484 3.753 182 HG13 VAL 24 3HG1 VAL 24 3.069 5.501 4.965 183 HG21 VAL 24 3HG2 VAL 24 4.556 6.975 1.826 184 HG22 VAL 24 1HG2 VAL 24 4.328 7.304 3.544 185 HG23 VAL 24 2HG2 VAL 24 2.933 7.239 2.465 186 H LEU 25 H LEU 25 4.791 2.885 1.535 187 HA LEU 25 HA LEU 25 3.803 0.750 3.059 188 HB2 LEU 25 2HB LEU 25 5.361 0.658 0.468 189 HB3 LEU 25 3HB LEU 25 4.469 -0.693 1.146 190 HG LEU 25 HG LEU 25 3.290 1.914 0.158 191 HD11 LEU 25 1HD1 LEU 25 3.111 -0.892 -0.946 192 HD12 LEU 25 2HD1 LEU 25 4.011 0.454 -1.649 193 HD13 LEU 25 3HD1 LEU 25 2.252 0.519 -1.567 194 HD21 LEU 25 3HD2 LEU 25 1.887 -0.510 1.297 195 HD22 LEU 25 1HD2 LEU 25 1.109 0.914 0.604 196 HD23 LEU 25 2HD2 LEU 25 2.046 1.059 2.089 197 H ARG 26 H ARG 26 7.149 1.386 1.990 198 HA ARG 26 HA ARG 26 8.315 -0.838 3.271 199 HB2 ARG 26 2HB ARG 26 9.555 1.835 2.564 200 HB3 ARG 26 3HB ARG 26 10.458 0.409 3.064 201 HG2 ARG 26 2HG ARG 26 9.565 -0.809 1.102 202 HG3 ARG 26 3HG ARG 26 8.757 0.671 0.586 203 HD2 ARG 26 2HD ARG 26 10.853 0.365 -0.624 204 HD3 ARG 26 3HD ARG 26 10.933 1.793 0.408 205 HE ARG 26 HE ARG 26 12.330 0.549 1.920 206 HH11 ARG 26 1HH1 ARG 26 11.802 -0.963 -1.132 207 HH12 ARG 26 2HH1 ARG 26 13.188 -1.984 -0.985 208 HH21 ARG 26 1HH2 ARG 26 14.093 -0.782 2.093 209 HH22 ARG 26 2HH2 ARG 26 14.459 -1.885 0.813 210 H SER 27 H SER 27 7.422 2.335 4.486 211 HA SER 27 HA SER 27 8.774 2.197 6.983 212 HB2 SER 27 2HB SER 27 7.894 4.317 6.126 213 HB3 SER 27 3HB SER 27 6.245 3.699 6.228 214 HG SER 27 HG SER 27 7.332 5.054 8.044 215 H TYR 28 H TYR 28 5.556 1.132 5.938 216 HA TYR 28 HA TYR 28 4.839 0.153 8.577 217 HB2 TYR 28 2HB TYR 28 3.490 0.105 5.883 218 HB3 TYR 28 3HB TYR 28 2.853 -0.824 7.233 219 HD1 TYR 28 HD2 TYR 28 3.930 2.679 6.421 220 HD2 TYR 28 HD1 TYR 28 1.268 0.165 8.599 221 HE1 TYR 28 HE2 TYR 28 2.704 4.662 7.207 222 HE2 TYR 28 HE1 TYR 28 0.043 2.140 9.389 223 HH TYR 28 HH TYR 28 0.275 4.451 9.679 224 H ASN 29 H ASN 29 6.994 -1.019 6.484 225 HA ASN 29 HA ASN 29 7.972 -3.021 6.084 226 HB2 ASN 29 2HB ASN 29 7.652 -3.503 8.475 227 HB3 ASN 29 3HB ASN 29 6.044 -4.131 8.140 228 HD21 ASN 29 1HD2 ASN 29 9.454 -4.698 7.842 229 HD22 ASN 29 2HD2 ASN 29 9.342 -6.376 7.452 230 H LEU 30 H LEU 30 6.608 -2.379 4.091 231 HA LEU 30 HA LEU 30 5.255 -4.855 3.226 232 HB2 LEU 30 2HB LEU 30 4.413 -2.019 2.587 233 HB3 LEU 30 3HB LEU 30 3.793 -3.433 1.754 234 HG LEU 30 HG LEU 30 3.469 -2.941 4.723 235 HD11 LEU 30 1HD1 LEU 30 1.137 -2.393 4.203 236 HD12 LEU 30 2HD1 LEU 30 1.493 -2.507 2.480 237 HD13 LEU 30 3HD1 LEU 30 2.254 -1.251 3.456 238 HD21 LEU 30 3HD2 LEU 30 3.410 -5.304 4.101 239 HD22 LEU 30 1HD2 LEU 30 2.185 -4.961 2.877 240 HD23 LEU 30 2HD2 LEU 30 1.812 -4.740 4.587 241 H GLY 31 H GLY 31 8.003 -3.374 2.940 242 HA2 GLY 31 2HA GLY 31 8.319 -2.687 0.215 243 HA3 GLY 31 3HA GLY 31 9.614 -3.109 1.321 244 H CYS 32 H CYS 32 8.189 -5.792 1.739 245 HA CYS 32 HA CYS 32 9.673 -7.201 -0.281 246 HB2 CYS 32 2HB CYS 32 9.546 -8.051 2.018 247 HB3 CYS 32 3HB CYS 32 7.806 -8.264 1.856 248 HG CYS 32 HG CYS 32 8.606 -10.803 1.641 249 H ILE 33 H ILE 33 6.704 -5.765 -0.493 250 HA ILE 33 HA ILE 33 4.946 -7.643 -1.522 251 HB ILE 33 HB ILE 33 3.952 -5.751 -2.874 252 HG12 ILE 33 2HG1 ILE 33 6.203 -4.200 -1.552 253 HG13 ILE 33 3HG1 ILE 33 6.015 -4.479 -3.279 254 HG21 ILE 33 1HG2 ILE 33 4.461 -5.307 0.067 255 HG22 ILE 33 2HG2 ILE 33 3.166 -6.269 -0.644 256 HG23 ILE 33 3HG2 ILE 33 3.193 -4.522 -0.874 257 HD11 ILE 33 3HD1 ILE 33 5.355 -2.228 -2.655 258 HD12 ILE 33 1HD1 ILE 33 4.153 -2.871 -1.539 259 HD13 ILE 33 2HD1 ILE 33 3.978 -3.138 -3.275 260 H GLY 34 H GLY 34 7.645 -6.092 -3.200 261 HA2 GLY 34 2HA GLY 34 7.014 -7.058 -5.801 262 HA3 GLY 34 3HA GLY 34 8.601 -6.544 -5.250 263 H CYS 35 H CYS 35 9.094 -8.350 -3.223 264 HA CYS 35 HA CYS 35 9.996 -10.617 -4.667 265 HB2 CYS 35 2HB CYS 35 9.827 -10.249 -1.665 266 HB3 CYS 35 3HB CYS 35 10.812 -11.440 -2.511 267 HG CYS 35 HG CYS 35 12.891 -9.945 -2.495 268 H MET 36 H MET 36 7.472 -10.311 -2.142 269 HA MET 36 HA MET 36 6.669 -13.056 -2.370 270 HB2 MET 36 2HB MET 36 4.875 -12.466 -0.810 271 HB3 MET 36 3HB MET 36 6.424 -11.854 -0.259 272 HG2 MET 36 2HG MET 36 5.811 -9.624 -1.152 273 HG3 MET 36 3HG MET 36 4.224 -10.265 -1.566 274 HE1 MET 36 3HE MET 36 3.717 -12.231 0.952 275 HE2 MET 36 1HE MET 36 2.490 -11.177 0.250 276 HE3 MET 36 2HE MET 36 2.785 -11.150 1.988 277 H GLY 37 H GLY 37 6.221 -10.646 -4.536 278 HA2 GLY 37 2HA GLY 37 4.990 -10.639 -6.487 279 HA3 GLY 37 3HA GLY 37 4.259 -12.149 -5.976 280 H ALA 38 H ALA 38 3.942 -9.597 -3.717 281 HA ALA 38 HA ALA 38 1.090 -9.679 -3.920 282 HB1 ALA 38 3HB ALA 38 2.212 -9.446 -1.766 283 HB2 ALA 38 1HB ALA 38 1.106 -8.104 -2.051 284 HB3 ALA 38 2HB ALA 38 2.843 -7.873 -2.252 285 H GLN 39 H GLN 39 3.121 -8.136 -5.931 286 HA GLN 39 HA GLN 39 2.226 -5.500 -6.140 287 HB2 GLN 39 2HB GLN 39 3.158 -7.397 -8.304 288 HB3 GLN 39 3HB GLN 39 2.919 -5.673 -8.544 289 HG2 GLN 39 2HG GLN 39 4.855 -6.905 -6.590 290 HG3 GLN 39 3HG GLN 39 5.270 -6.263 -8.179 291 HE21 GLN 39 1HE2 GLN 39 4.262 -5.459 -4.949 292 HE22 GLN 39 2HE2 GLN 39 4.630 -3.777 -5.048 293 H ASN 40 H ASN 40 0.815 -8.464 -7.457 294 HA ASN 40 HA ASN 40 -1.329 -7.006 -8.794 295 HB2 ASN 40 2HB ASN 40 -0.855 -9.990 -8.545 296 HB3 ASN 40 3HB ASN 40 -2.060 -9.222 -9.575 297 HD21 ASN 40 1HD2 ASN 40 1.284 -9.975 -9.167 298 HD22 ASN 40 2HD2 ASN 40 1.801 -9.468 -10.734 299 H GLU 41 H GLU 41 -0.835 -7.630 -5.686 300 HA GLU 41 HA GLU 41 -3.545 -8.614 -5.094 301 HB2 GLU 41 2HB GLU 41 -1.570 -9.818 -4.133 302 HB3 GLU 41 3HB GLU 41 -1.166 -8.360 -3.238 303 HG2 GLU 41 2HG GLU 41 -3.129 -8.517 -1.916 304 HG3 GLU 41 3HG GLU 41 -3.804 -9.775 -2.949 305 H SER 42 H SER 42 -4.893 -7.482 -3.620 306 HA SER 42 HA SER 42 -4.746 -4.648 -3.883 307 HB2 SER 42 2HB SER 42 -6.842 -4.601 -2.612 308 HB3 SER 42 3HB SER 42 -6.900 -5.849 -3.854 309 HG SER 42 HG SER 42 -7.691 -6.551 -1.797 310 H LEU 43 H LEU 43 -4.647 -3.053 -2.232 311 HA LEU 43 HA LEU 43 -2.498 -3.279 -0.510 312 HB2 LEU 43 2HB LEU 43 -4.847 -1.392 -0.404 313 HB3 LEU 43 3HB LEU 43 -3.428 -1.216 0.611 314 HG LEU 43 HG LEU 43 -3.444 -1.099 -2.415 315 HD11 LEU 43 1HD1 LEU 43 -3.037 1.097 -0.386 316 HD12 LEU 43 2HD1 LEU 43 -4.487 0.858 -1.359 317 HD13 LEU 43 3HD1 LEU 43 -2.959 1.263 -2.140 318 HD21 LEU 43 3HD2 LEU 43 -1.105 -0.389 -2.179 319 HD22 LEU 43 1HD2 LEU 43 -1.354 -2.024 -1.569 320 HD23 LEU 43 2HD2 LEU 43 -1.194 -0.675 -0.440 321 H GLU 44 H GLU 44 -5.931 -3.828 0.265 322 HA GLU 44 HA GLU 44 -5.541 -3.968 3.076 323 HB2 GLU 44 2HB GLU 44 -7.753 -3.552 2.080 324 HB3 GLU 44 3HB GLU 44 -7.771 -5.186 1.431 325 HG2 GLU 44 2HG GLU 44 -7.818 -6.129 3.645 326 HG3 GLU 44 3HG GLU 44 -7.606 -4.538 4.372 327 H GLN 45 H GLN 45 -5.625 -6.500 0.569 328 HA GLN 45 HA GLN 45 -5.488 -8.715 2.309 329 HB2 GLN 45 2HB GLN 45 -4.506 -8.419 -0.538 330 HB3 GLN 45 3HB GLN 45 -4.609 -9.954 0.316 331 HG2 GLN 45 2HG GLN 45 -7.024 -9.701 0.517 332 HG3 GLN 45 3HG GLN 45 -6.940 -8.130 -0.279 333 HE21 GLN 45 1HE2 GLN 45 -8.296 -8.789 -1.941 334 HE22 GLN 45 2HE2 GLN 45 -7.784 -9.875 -3.181 335 H GLY 46 H GLY 46 -2.842 -7.072 0.535 336 HA2 GLY 46 2HA GLY 46 -0.704 -8.465 1.695 337 HA3 GLY 46 3HA GLY 46 -0.608 -6.839 1.036 338 H ALA 47 H ALA 47 -2.456 -5.616 2.866 339 HA ALA 47 HA ALA 47 -0.809 -4.955 5.046 340 HB1 ALA 47 3HB ALA 47 -2.628 -3.518 4.216 341 HB2 ALA 47 1HB ALA 47 -2.751 -3.797 5.954 342 HB3 ALA 47 2HB ALA 47 -3.810 -4.666 4.843 343 H ASN 48 H ASN 48 -3.820 -6.920 5.084 344 HA ASN 48 HA ASN 48 -3.588 -7.826 7.725 345 HB2 ASN 48 2HB ASN 48 -4.933 -9.081 5.327 346 HB3 ASN 48 3HB ASN 48 -5.052 -9.755 6.949 347 HD21 ASN 48 1HD2 ASN 48 -6.127 -7.291 4.810 348 HD22 ASN 48 2HD2 ASN 48 -7.274 -6.577 5.884 349 H ALA 49 H ALA 49 -2.202 -9.116 4.748 350 HA ALA 49 HA ALA 49 -1.216 -11.555 5.674 351 HB1 ALA 49 3HB ALA 49 0.388 -11.435 3.840 352 HB2 ALA 49 1HB ALA 49 0.054 -9.715 3.646 353 HB3 ALA 49 2HB ALA 49 -1.210 -10.900 3.316 354 H HIS 50 H HIS 50 0.279 -8.327 5.857 355 HA HIS 50 HA HIS 50 2.536 -9.392 7.385 356 HB2 HIS 50 2HB HIS 50 1.905 -6.647 6.296 357 HB3 HIS 50 3HB HIS 50 3.254 -6.934 7.390 358 HD1 HIS 50 HD1 HIS 50 5.337 -6.958 6.070 359 HD2 HIS 50 HD2 HIS 50 2.231 -8.860 4.056 360 HE1 HIS 50 HE1 HIS 50 6.346 -7.833 3.946 361 HE2 HIS 50 HE2 HIS 50 4.503 -9.160 2.860 362 H GLY 51 H GLY 51 -0.535 -8.614 8.168 363 HA2 GLY 51 2HA GLY 51 -1.568 -8.292 10.206 364 HA3 GLY 51 3HA GLY 51 0.015 -8.339 10.965 365 H LEU 52 H LEU 52 -1.634 -6.159 8.667 366 HA LEU 52 HA LEU 52 -0.958 -3.889 10.432 367 HB2 LEU 52 2HB LEU 52 -0.777 -3.984 7.415 368 HB3 LEU 52 3HB LEU 52 -0.558 -2.539 8.387 369 HG LEU 52 HG LEU 52 1.208 -4.991 8.537 370 HD11 LEU 52 1HD1 LEU 52 2.866 -3.643 7.360 371 HD12 LEU 52 2HD1 LEU 52 1.696 -2.333 7.191 372 HD13 LEU 52 3HD1 LEU 52 1.419 -3.874 6.377 373 HD21 LEU 52 3HD2 LEU 52 2.700 -3.525 9.828 374 HD22 LEU 52 1HD2 LEU 52 1.145 -3.742 10.626 375 HD23 LEU 52 2HD2 LEU 52 1.492 -2.243 9.763 376 H ASN 53 H ASN 53 -2.514 -2.368 10.722 377 HA ASN 53 HA ASN 53 -5.183 -2.841 9.834 378 HB2 ASN 53 2HB ASN 53 -4.783 -1.780 11.984 379 HB3 ASN 53 3HB ASN 53 -3.936 -0.447 11.207 380 HD21 ASN 53 1HD2 ASN 53 -5.344 1.040 12.114 381 HD22 ASN 53 2HD2 ASN 53 -6.966 1.237 11.552 382 H VAL 54 H VAL 54 -5.592 -2.663 7.708 383 HA VAL 54 HA VAL 54 -4.316 -1.109 5.818 384 HB VAL 54 HB VAL 54 -5.817 -2.942 5.228 385 HG11 VAL 54 1HG1 VAL 54 -7.569 -2.550 6.890 386 HG12 VAL 54 2HG1 VAL 54 -8.247 -2.685 5.268 387 HG13 VAL 54 3HG1 VAL 54 -8.077 -1.099 6.023 388 HG21 VAL 54 3HG2 VAL 54 -6.683 -0.320 3.994 389 HG22 VAL 54 1HG2 VAL 54 -6.914 -1.921 3.288 390 HG23 VAL 54 2HG2 VAL 54 -5.285 -1.283 3.514 391 H GLU 55 H GLU 55 -6.998 -0.185 7.920 392 HA GLU 55 HA GLU 55 -7.761 2.186 6.616 393 HB2 GLU 55 2HB GLU 55 -7.919 1.478 9.557 394 HB3 GLU 55 3HB GLU 55 -8.755 2.830 8.804 395 HG2 GLU 55 2HG GLU 55 -9.176 -0.087 8.171 396 HG3 GLU 55 3HG GLU 55 -10.240 0.932 9.141 397 H ASP 56 H ASP 56 -5.222 1.564 8.994 398 HA ASP 56 HA ASP 56 -4.591 4.324 9.427 399 HB2 ASP 56 2HB ASP 56 -4.101 2.396 11.013 400 HB3 ASP 56 3HB ASP 56 -2.782 1.951 9.935 401 H ILE 57 H ILE 57 -3.503 1.829 7.211 402 HA ILE 57 HA ILE 57 -1.214 3.196 6.193 403 HB ILE 57 HB ILE 57 -2.897 1.073 4.837 404 HG12 ILE 57 2HG1 ILE 57 -0.422 0.781 6.570 405 HG13 ILE 57 3HG1 ILE 57 -2.056 0.321 7.030 406 HG21 ILE 57 1HG2 ILE 57 -0.874 0.610 3.521 407 HG22 ILE 57 2HG2 ILE 57 -0.057 1.961 4.308 408 HG23 ILE 57 3HG2 ILE 57 -1.453 2.257 3.271 409 HD11 ILE 57 3HD1 ILE 57 -2.080 -1.360 5.255 410 HD12 ILE 57 1HD1 ILE 57 -0.753 -1.615 6.387 411 HD13 ILE 57 2HD1 ILE 57 -0.437 -0.901 4.805 412 H LEU 58 H LEU 58 -4.485 2.718 4.788 413 HA LEU 58 HA LEU 58 -4.181 4.327 2.526 414 HB2 LEU 58 2HB LEU 58 -6.699 3.889 4.147 415 HB3 LEU 58 3HB LEU 58 -6.642 4.490 2.501 416 HG LEU 58 HG LEU 58 -5.832 1.728 3.424 417 HD11 LEU 58 1HD1 LEU 58 -8.144 2.632 1.706 418 HD12 LEU 58 2HD1 LEU 58 -8.252 2.108 3.386 419 HD13 LEU 58 3HD1 LEU 58 -7.747 0.968 2.140 420 HD21 LEU 58 3HD2 LEU 58 -4.405 2.488 1.594 421 HD22 LEU 58 1HD2 LEU 58 -5.831 2.898 0.639 422 HD23 LEU 58 2HD2 LEU 58 -5.503 1.215 1.059 423 H ARG 59 H ARG 59 -5.064 5.185 5.807 424 HA ARG 59 HA ARG 59 -5.793 7.835 5.614 425 HB2 ARG 59 2HB ARG 59 -5.881 6.699 7.711 426 HB3 ARG 59 3HB ARG 59 -4.163 6.337 7.665 427 HG2 ARG 59 2HG ARG 59 -3.963 8.983 7.701 428 HG3 ARG 59 3HG ARG 59 -5.559 8.849 8.445 429 HD2 ARG 59 2HD ARG 59 -3.747 8.880 10.121 430 HD3 ARG 59 3HD ARG 59 -4.667 7.373 10.159 431 HE ARG 59 HE ARG 59 -2.804 6.389 8.843 432 HH11 ARG 59 1HH1 ARG 59 -2.235 9.148 10.821 433 HH12 ARG 59 2HH1 ARG 59 -0.537 8.851 10.924 434 HH21 ARG 59 1HH2 ARG 59 -0.631 6.015 8.980 435 HH22 ARG 59 2HH2 ARG 59 0.356 7.098 9.897 436 H ASP 60 H ASP 60 -2.445 6.611 6.054 437 HA ASP 60 HA ASP 60 -1.282 9.214 5.795 438 HB2 ASP 60 2HB ASP 60 -0.389 7.080 7.026 439 HB3 ASP 60 3HB ASP 60 0.292 6.671 5.455 440 H LEU 61 H LEU 61 -1.864 6.537 3.571 441 HA LEU 61 HA LEU 61 -0.252 7.395 1.425 442 HB2 LEU 61 2HB LEU 61 -2.818 5.798 1.390 443 HB3 LEU 61 3HB LEU 61 -1.780 6.029 -0.006 444 HG LEU 61 HG LEU 61 -1.028 4.592 2.548 445 HD11 LEU 61 1HD1 LEU 61 -1.524 3.549 -0.246 446 HD12 LEU 61 2HD1 LEU 61 -2.570 3.317 1.156 447 HD13 LEU 61 3HD1 LEU 61 -0.962 2.596 1.128 448 HD21 LEU 61 3HD2 LEU 61 0.890 5.778 1.586 449 HD22 LEU 61 1HD2 LEU 61 0.585 5.017 0.025 450 HD23 LEU 61 2HD2 LEU 61 1.063 4.032 1.408 451 H ASN 62 H ASN 62 -3.760 7.976 1.968 452 HA ASN 62 HA ASN 62 -4.041 9.707 -0.266 453 HB2 ASN 62 2HB ASN 62 -5.726 9.331 2.213 454 HB3 ASN 62 3HB ASN 62 -6.155 10.479 0.946 455 HD21 ASN 62 1HD2 ASN 62 -5.925 7.141 1.810 456 HD22 ASN 62 2HD2 ASN 62 -6.730 6.509 0.420 457 H ALA 63 H ALA 63 -2.897 10.229 2.982 458 HA ALA 63 HA ALA 63 -3.094 13.027 3.140 459 HB1 ALA 63 3HB ALA 63 -0.909 11.280 4.284 460 HB2 ALA 63 1HB ALA 63 -2.471 11.591 5.042 461 HB3 ALA 63 2HB ALA 63 -1.328 12.913 4.805 462 H LEU 64 H LEU 64 -0.745 10.968 1.493 463 HA LEU 64 HA LEU 64 1.188 12.878 0.803 464 HB2 LEU 64 2HB LEU 64 0.217 10.523 -0.830 465 HB3 LEU 64 3HB LEU 64 1.714 11.394 -1.104 466 HG LEU 64 HG LEU 64 1.065 9.804 1.386 467 HD11 LEU 64 1HD1 LEU 64 2.689 8.180 0.555 468 HD12 LEU 64 2HD1 LEU 64 2.878 9.115 -0.929 469 HD13 LEU 64 3HD1 LEU 64 1.331 8.354 -0.557 470 HD21 LEU 64 3HD2 LEU 64 3.636 11.126 0.510 471 HD22 LEU 64 1HD2 LEU 64 3.435 10.104 1.933 472 HD23 LEU 64 2HD2 LEU 64 2.595 11.650 1.834 473 H ALA 65 H ALA 65 -1.939 12.160 -0.633 474 HA ALA 65 HA ALA 65 -1.588 13.888 -2.910 475 HB1 ALA 65 3HB ALA 65 -3.946 13.400 -3.374 476 HB2 ALA 65 1HB ALA 65 -4.091 12.603 -1.807 477 HB3 ALA 65 2HB ALA 65 -3.037 11.925 -3.048 478 H LEU 66 H LEU 66 -3.017 14.155 0.285 479 HA LEU 66 HA LEU 66 -4.190 16.758 -0.247 480 HB2 LEU 66 2HB LEU 66 -3.945 15.206 2.335 481 HB3 LEU 66 3HB LEU 66 -4.881 16.673 2.119 482 HG LEU 66 HG LEU 66 -5.418 14.028 0.751 483 HD11 LEU 66 1HD1 LEU 66 -6.949 15.428 2.945 484 HD12 LEU 66 2HD1 LEU 66 -5.945 13.992 3.141 485 HD13 LEU 66 3HD1 LEU 66 -7.403 13.918 2.154 486 HD21 LEU 66 3HD2 LEU 66 -7.473 15.084 -0.059 487 HD22 LEU 66 1HD2 LEU 66 -6.043 15.918 -0.664 488 HD23 LEU 66 2HD2 LEU 66 -6.976 16.616 0.660 489 H GLU 67 H GLU 67 -1.156 15.596 0.779 490 HA GLU 67 HA GLU 67 0.763 16.568 1.500 491 HB2 GLU 67 2HB GLU 67 -0.562 19.150 0.633 492 HB3 GLU 67 3HB GLU 67 1.154 18.924 0.934 493 HG2 GLU 67 2HG GLU 67 1.318 17.386 -0.930 494 HG3 GLU 67 3HG GLU 67 -0.420 17.499 -1.202 495 H HIS 68 H HIS 68 -1.318 19.309 2.339 496 HA HIS 68 HA HIS 68 -1.617 20.497 4.229 497 HB2 HIS 68 2HB HIS 68 -2.752 19.355 5.992 498 HB3 HIS 68 3HB HIS 68 -3.215 18.612 4.470 499 HD1 HIS 68 HD1 HIS 68 -1.125 17.954 7.540 500 HD2 HIS 68 HD2 HIS 68 -2.708 15.899 4.294 501 HE1 HIS 68 HE1 HIS 68 -0.781 15.527 8.052 502 HE2 HIS 68 HE2 HIS 68 -1.929 14.307 6.180 503 H HIS 69 H HIS 69 -0.146 21.650 5.245 504 HA HIS 69 HA HIS 69 1.415 20.417 7.368 505 HB2 HIS 69 2HB HIS 69 3.560 21.241 6.648 506 HB3 HIS 69 3HB HIS 69 2.872 20.296 5.333 507 HD1 HIS 69 HD1 HIS 69 4.267 23.584 6.110 508 HD2 HIS 69 HD2 HIS 69 1.807 21.950 3.178 509 HE1 HIS 69 HE1 HIS 69 4.261 25.247 4.224 510 HE2 HIS 69 HE2 HIS 69 2.897 24.163 2.406 511 H HIS 70 H HIS 70 2.115 21.904 8.962 512 HA HIS 70 HA HIS 70 0.388 24.123 9.317 513 HB2 HIS 70 2HB HIS 70 1.645 24.566 11.365 514 HB3 HIS 70 3HB HIS 70 1.308 22.848 11.210 515 HD1 HIS 70 HD1 HIS 70 4.101 25.305 11.342 516 HD2 HIS 70 HD2 HIS 70 3.581 21.221 10.759 517 HE1 HIS 70 HE1 HIS 70 6.389 24.296 11.565 518 HE2 HIS 70 HE2 HIS 70 6.012 21.815 11.403 519 H HIS 71 H HIS 71 0.774 26.331 9.314 520 HA HIS 71 HA HIS 71 2.518 27.395 7.370 521 HB2 HIS 71 2HB HIS 71 0.505 28.578 7.905 522 HB3 HIS 71 3HB HIS 71 0.941 28.686 9.607 523 HD1 HIS 71 HD1 HIS 71 1.712 30.226 6.260 524 HD2 HIS 71 HD2 HIS 71 2.620 30.815 10.273 525 HE1 HIS 71 HE1 HIS 71 2.836 32.461 6.374 526 HE2 HIS 71 HE2 HIS 71 3.217 32.868 8.822 527 H HIS 72 H HIS 72 4.460 28.497 7.507 528 HA HIS 72 HA HIS 72 5.700 28.825 10.154 529 HB2 HIS 72 2HB HIS 72 6.605 26.762 9.120 530 HB3 HIS 72 3HB HIS 72 7.131 27.702 7.728 531 HD1 HIS 72 HD1 HIS 72 7.884 27.170 11.380 532 HD2 HIS 72 HD2 HIS 72 9.526 29.070 8.066 533 HE1 HIS 72 HE1 HIS 72 10.179 27.897 12.088 534 HE2 HIS 72 HE2 HIS 72 11.098 29.156 10.116 535 H HIS 73 H HIS 73 6.649 30.752 10.454 536 HA HIS 73 HA HIS 73 6.453 32.782 8.428 537 HB2 HIS 73 2HB HIS 73 6.046 33.272 10.805 538 HB3 HIS 73 3HB HIS 73 7.716 32.872 11.183 539 HD1 HIS 73 HD1 HIS 73 9.452 34.690 10.849 540 HD2 HIS 73 HD2 HIS 73 5.716 35.724 9.359 541 HE1 HIS 73 HE1 HIS 73 9.604 37.129 10.292 542 HE2 HIS 73 HE2 HIS 73 7.403 37.678 9.209 Start of MODEL 8 1 H1 MET 1 1H MET 1 -16.265 9.236 0.247 2 H2 MET 1 2H MET 1 -17.241 9.622 -1.073 3 H3 MET 1 3H MET 1 -17.466 10.419 0.400 4 HA MET 1 HA MET 1 -16.330 11.836 -1.168 5 HB2 MET 1 2HB MET 1 -14.411 12.446 0.239 6 HB3 MET 1 3HB MET 1 -15.831 12.099 1.215 7 HG2 MET 1 2HG MET 1 -14.925 9.858 1.700 8 HG3 MET 1 3HG MET 1 -13.484 10.258 0.768 9 HE1 MET 1 3HE MET 1 -15.512 12.681 3.120 10 HE2 MET 1 1HE MET 1 -14.686 12.437 4.660 11 HE3 MET 1 2HE MET 1 -15.627 11.128 3.948 12 H THR 2 H THR 2 -14.760 12.172 -2.698 13 HA THR 2 HA THR 2 -13.775 9.909 -4.081 14 HB THR 2 HB THR 2 -12.898 12.793 -4.402 15 HG1 THR 2 HG1 THR 2 -14.528 12.608 -6.186 16 HG21 THR 2 3HG2 THR 2 -12.334 12.135 -6.699 17 HG22 THR 2 1HG2 THR 2 -12.795 10.470 -6.340 18 HG23 THR 2 2HG2 THR 2 -11.408 11.195 -5.528 19 H GLN 3 H GLN 3 -12.114 8.653 -3.489 20 HA GLN 3 HA GLN 3 -9.768 9.887 -2.170 21 HB2 GLN 3 2HB GLN 3 -10.890 7.096 -1.820 22 HB3 GLN 3 3HB GLN 3 -9.404 7.679 -1.085 23 HG2 GLN 3 2HG GLN 3 -10.635 9.292 0.230 24 HG3 GLN 3 3HG GLN 3 -12.138 8.850 -0.577 25 HE21 GLN 3 1HE2 GLN 3 -9.744 6.483 0.348 26 HE22 GLN 3 2HE2 GLN 3 -10.675 5.756 1.604 27 H LYS 4 H LYS 4 -7.719 9.323 -2.882 28 HA LYS 4 HA LYS 4 -7.531 8.144 -5.516 29 HB2 LYS 4 2HB LYS 4 -5.491 9.296 -3.615 30 HB3 LYS 4 3HB LYS 4 -5.024 8.539 -5.127 31 HG2 LYS 4 2HG LYS 4 -7.057 10.723 -5.203 32 HG3 LYS 4 3HG LYS 4 -5.367 11.146 -4.935 33 HD2 LYS 4 2HD LYS 4 -5.829 11.293 -7.294 34 HD3 LYS 4 3HD LYS 4 -4.774 9.910 -7.016 35 HE2 LYS 4 2HE LYS 4 -6.737 8.419 -7.146 36 HE3 LYS 4 3HE LYS 4 -7.759 9.818 -7.474 37 HZ1 LYS 4 3HZ LYS 4 -7.167 8.687 -9.510 38 HZ2 LYS 4 1HZ LYS 4 -5.518 8.860 -9.171 39 HZ3 LYS 4 2HZ LYS 4 -6.464 10.224 -9.485 40 H PHE 5 H PHE 5 -6.822 7.139 -2.225 41 HA PHE 5 HA PHE 5 -5.861 4.538 -3.251 42 HB2 PHE 5 2HB PHE 5 -5.116 5.927 -0.666 43 HB3 PHE 5 3HB PHE 5 -4.558 4.333 -1.163 44 HD1 PHE 5 HD1 PHE 5 -4.287 7.943 -1.765 45 HD2 PHE 5 HD2 PHE 5 -2.868 4.079 -2.873 46 HE1 PHE 5 HE1 PHE 5 -2.397 8.977 -2.953 47 HE2 PHE 5 HE2 PHE 5 -0.979 5.112 -4.057 48 HZ PHE 5 HZ PHE 5 -0.740 7.566 -4.100 49 H THR 6 H THR 6 -7.077 2.845 -2.813 50 HA THR 6 HA THR 6 -8.868 2.869 -0.452 51 HB THR 6 HB THR 6 -10.315 3.091 -2.354 52 HG1 THR 6 HG1 THR 6 -11.561 1.256 -2.058 53 HG21 THR 6 3HG2 THR 6 -8.766 2.364 -4.113 54 HG22 THR 6 1HG2 THR 6 -10.303 1.507 -4.233 55 HG23 THR 6 2HG2 THR 6 -8.894 0.699 -3.546 56 H LYS 7 H LYS 7 -9.482 0.669 0.317 57 HA LYS 7 HA LYS 7 -7.173 -0.896 0.786 58 HB2 LYS 7 2HB LYS 7 -8.724 -2.482 1.897 59 HB3 LYS 7 3HB LYS 7 -8.968 -0.817 2.409 60 HG2 LYS 7 2HG LYS 7 -10.967 -0.612 1.164 61 HG3 LYS 7 3HG LYS 7 -10.643 -2.087 0.254 62 HD2 LYS 7 2HD LYS 7 -12.378 -2.446 1.940 63 HD3 LYS 7 3HD LYS 7 -10.948 -3.422 2.278 64 HE2 LYS 7 2HE LYS 7 -10.222 -1.701 3.923 65 HE3 LYS 7 3HE LYS 7 -11.735 -0.835 3.632 66 HZ1 LYS 7 3HZ LYS 7 -11.873 -2.233 5.591 67 HZ2 LYS 7 1HZ LYS 7 -11.492 -3.603 4.677 68 HZ3 LYS 7 2HZ LYS 7 -12.945 -2.778 4.404 69 H ASP 8 H ASP 8 -9.598 -1.078 -1.694 70 HA ASP 8 HA ASP 8 -9.053 -3.893 -2.264 71 HB2 ASP 8 2HB ASP 8 -11.390 -2.865 -2.120 72 HB3 ASP 8 3HB ASP 8 -11.049 -2.118 -3.676 73 H MET 9 H MET 9 -7.523 -1.150 -3.160 74 HA MET 9 HA MET 9 -7.186 -1.874 -5.985 75 HB2 MET 9 2HB MET 9 -6.000 0.201 -6.256 76 HB3 MET 9 3HB MET 9 -7.470 0.523 -5.347 77 HG2 MET 9 2HG MET 9 -6.095 0.448 -3.259 78 HG3 MET 9 3HG MET 9 -4.663 0.353 -4.277 79 HE1 MET 9 3HE MET 9 -3.918 2.259 -5.961 80 HE2 MET 9 1HE MET 9 -4.780 3.783 -6.167 81 HE3 MET 9 2HE MET 9 -5.508 2.276 -6.722 82 H THR 10 H THR 10 -5.068 -2.249 -6.897 83 HA THR 10 HA THR 10 -3.509 -4.008 -5.239 84 HB THR 10 HB THR 10 -2.177 -4.481 -7.205 85 HG1 THR 10 HG1 THR 10 -3.188 -3.112 -9.154 86 HG21 THR 10 3HG2 THR 10 -5.091 -4.175 -7.958 87 HG22 THR 10 1HG2 THR 10 -4.382 -5.547 -7.105 88 HG23 THR 10 2HG2 THR 10 -3.919 -5.209 -8.773 89 H PHE 11 H PHE 11 -1.298 -3.855 -4.704 90 HA PHE 11 HA PHE 11 -0.258 -1.417 -3.883 91 HB2 PHE 11 2HB PHE 11 1.175 -3.981 -4.616 92 HB3 PHE 11 3HB PHE 11 1.985 -2.607 -3.874 93 HD1 PHE 11 HD2 PHE 11 -0.440 -5.316 -3.350 94 HD2 PHE 11 HD1 PHE 11 1.655 -2.074 -1.545 95 HE1 PHE 11 HE2 PHE 11 -1.069 -6.152 -1.126 96 HE2 PHE 11 HE1 PHE 11 1.029 -2.909 0.682 97 HZ PHE 11 HZ PHE 11 -0.334 -4.949 0.895 98 H ALA 12 H ALA 12 0.157 -3.054 -6.989 99 HA ALA 12 HA ALA 12 2.118 -1.433 -8.128 100 HB1 ALA 12 3HB ALA 12 -0.211 -2.741 -9.539 101 HB2 ALA 12 1HB ALA 12 1.311 -3.531 -9.119 102 HB3 ALA 12 2HB ALA 12 1.297 -2.204 -10.282 103 H GLN 13 H GLN 13 -1.435 -1.056 -8.323 104 HA GLN 13 HA GLN 13 -1.501 1.307 -9.818 105 HB2 GLN 13 2HB GLN 13 -3.432 0.389 -7.672 106 HB3 GLN 13 3HB GLN 13 -3.757 1.659 -8.843 107 HG2 GLN 13 2HG GLN 13 -3.600 0.046 -10.663 108 HG3 GLN 13 3HG GLN 13 -3.218 -1.231 -9.509 109 HE21 GLN 13 1HE2 GLN 13 -5.574 1.308 -8.950 110 HE22 GLN 13 2HE2 GLN 13 -6.958 0.281 -8.957 111 H ALA 14 H ALA 14 -1.326 0.870 -6.292 112 HA ALA 14 HA ALA 14 -1.486 3.546 -5.505 113 HB1 ALA 14 3HB ALA 14 0.116 1.332 -4.215 114 HB2 ALA 14 1HB ALA 14 -1.592 1.671 -3.934 115 HB3 ALA 14 2HB ALA 14 -0.369 2.844 -3.446 116 H LEU 15 H LEU 15 1.424 1.607 -6.220 117 HA LEU 15 HA LEU 15 3.321 3.654 -5.900 118 HB2 LEU 15 2HB LEU 15 3.417 1.242 -7.720 119 HB3 LEU 15 3HB LEU 15 4.798 2.235 -7.293 120 HG LEU 15 HG LEU 15 3.171 0.585 -5.344 121 HD11 LEU 15 1HD1 LEU 15 4.495 -0.806 -6.864 122 HD12 LEU 15 2HD1 LEU 15 5.134 -0.857 -5.220 123 HD13 LEU 15 3HD1 LEU 15 5.942 0.116 -6.450 124 HD21 LEU 15 3HD2 LEU 15 4.100 2.564 -4.282 125 HD22 LEU 15 1HD2 LEU 15 5.694 2.198 -4.949 126 HD23 LEU 15 2HD2 LEU 15 4.969 1.125 -3.751 127 H GLN 16 H GLN 16 1.454 2.678 -8.764 128 HA GLN 16 HA GLN 16 2.756 4.428 -10.592 129 HB2 GLN 16 2HB GLN 16 0.011 3.152 -10.717 130 HB3 GLN 16 3HB GLN 16 0.777 3.998 -12.055 131 HG2 GLN 16 2HG GLN 16 1.812 1.496 -10.724 132 HG3 GLN 16 3HG GLN 16 0.992 1.579 -12.281 133 HE21 GLN 16 1HE2 GLN 16 3.931 2.239 -10.557 134 HE22 GLN 16 2HE2 GLN 16 4.919 2.504 -11.948 135 H THR 17 H THR 17 0.438 5.019 -8.134 136 HA THR 17 HA THR 17 -0.658 7.418 -9.334 137 HB THR 17 HB THR 17 -0.916 6.363 -6.503 138 HG1 THR 17 HG1 THR 17 -1.886 5.050 -8.162 139 HG21 THR 17 3HG2 THR 17 -1.302 8.788 -6.607 140 HG22 THR 17 1HG2 THR 17 -2.803 7.916 -6.293 141 HG23 THR 17 2HG2 THR 17 -2.471 8.551 -7.905 142 H HIS 18 H HIS 18 1.447 6.755 -6.500 143 HA HIS 18 HA HIS 18 2.894 9.246 -7.032 144 HB2 HIS 18 2HB HIS 18 1.530 8.648 -4.396 145 HB3 HIS 18 3HB HIS 18 2.819 9.835 -4.561 146 HD1 HIS 18 HD1 HIS 18 -0.717 9.677 -4.461 147 HD2 HIS 18 HD2 HIS 18 2.013 11.837 -6.731 148 HE1 HIS 18 HE1 HIS 18 -1.990 11.649 -5.347 149 HE2 HIS 18 HE2 HIS 18 -0.330 12.936 -6.728 150 HA PRO 19 HA PRO 19 6.340 6.482 -6.296 151 HB2 PRO 19 2HB PRO 19 7.724 9.050 -5.655 152 HB3 PRO 19 3HB PRO 19 8.201 7.758 -6.764 153 HG2 PRO 19 2HG PRO 19 7.208 10.032 -7.715 154 HG3 PRO 19 3HG PRO 19 6.746 8.478 -8.439 155 HD2 PRO 19 2HD PRO 19 5.198 10.234 -6.567 156 HD3 PRO 19 3HD PRO 19 4.629 9.290 -7.961 157 H GLY 20 H GLY 20 5.587 9.087 -3.999 158 HA2 GLY 20 2HA GLY 20 7.165 8.305 -1.835 159 HA3 GLY 20 3HA GLY 20 5.658 9.192 -1.705 160 H VAL 21 H VAL 21 4.334 6.748 -3.058 161 HA VAL 21 HA VAL 21 3.352 5.497 -0.753 162 HB VAL 21 HB VAL 21 3.391 4.460 -3.598 163 HG11 VAL 21 1HG1 VAL 21 1.689 3.571 -1.262 164 HG12 VAL 21 2HG1 VAL 21 2.979 2.635 -2.019 165 HG13 VAL 21 3HG1 VAL 21 1.520 3.024 -2.929 166 HG21 VAL 21 3HG2 VAL 21 1.269 5.975 -2.069 167 HG22 VAL 21 1HG2 VAL 21 1.100 5.336 -3.705 168 HG23 VAL 21 2HG2 VAL 21 2.266 6.616 -3.375 169 H ALA 22 H ALA 22 6.125 4.724 -2.775 170 HA ALA 22 HA ALA 22 6.667 2.119 -1.876 171 HB1 ALA 22 3HB ALA 22 8.953 2.499 -2.643 172 HB2 ALA 22 1HB ALA 22 8.652 4.237 -2.718 173 HB3 ALA 22 2HB ALA 22 7.791 3.144 -3.801 174 H GLY 23 H GLY 23 7.855 5.251 -0.622 175 HA2 GLY 23 2HA GLY 23 9.339 4.204 1.542 176 HA3 GLY 23 3HA GLY 23 8.717 5.841 1.424 177 H VAL 24 H VAL 24 5.951 5.266 1.343 178 HA VAL 24 HA VAL 24 5.319 4.978 4.078 179 HB VAL 24 HB VAL 24 3.462 4.617 1.710 180 HG11 VAL 24 1HG1 VAL 24 2.496 3.753 3.774 181 HG12 VAL 24 2HG1 VAL 24 1.679 5.235 3.281 182 HG13 VAL 24 3HG1 VAL 24 2.852 5.272 4.599 183 HG21 VAL 24 3HG2 VAL 24 4.145 7.110 3.281 184 HG22 VAL 24 1HG2 VAL 24 2.897 6.990 2.039 185 HG23 VAL 24 2HG2 VAL 24 4.592 6.771 1.608 186 H LEU 25 H LEU 25 4.839 2.678 1.372 187 HA LEU 25 HA LEU 25 3.792 0.563 2.865 188 HB2 LEU 25 2HB LEU 25 5.505 0.470 0.374 189 HB3 LEU 25 3HB LEU 25 4.621 -0.902 1.021 190 HG LEU 25 HG LEU 25 3.376 1.661 0.003 191 HD11 LEU 25 1HD1 LEU 25 2.553 0.299 -1.844 192 HD12 LEU 25 2HD1 LEU 25 3.426 -1.098 -1.215 193 HD13 LEU 25 3HD1 LEU 25 4.315 0.311 -1.795 194 HD21 LEU 25 3HD2 LEU 25 2.079 -0.882 0.992 195 HD22 LEU 25 1HD2 LEU 25 1.240 0.483 0.254 196 HD23 LEU 25 2HD2 LEU 25 2.058 0.685 1.802 197 H ARG 26 H ARG 26 7.218 1.236 2.059 198 HA ARG 26 HA ARG 26 8.273 -0.947 3.511 199 HB2 ARG 26 2HB ARG 26 9.557 1.701 2.803 200 HB3 ARG 26 3HB ARG 26 10.424 0.331 3.487 201 HG2 ARG 26 2HG ARG 26 9.728 -1.021 1.511 202 HG3 ARG 26 3HG ARG 26 9.029 0.441 0.813 203 HD2 ARG 26 2HD ARG 26 11.226 0.073 -0.122 204 HD3 ARG 26 3HD ARG 26 11.263 1.508 0.901 205 HE ARG 26 HE ARG 26 12.088 -0.388 2.603 206 HH11 ARG 26 1HH1 ARG 26 13.065 0.264 -0.645 207 HH12 ARG 26 2HH1 ARG 26 14.695 -0.238 -0.366 208 HH21 ARG 26 1HH2 ARG 26 14.186 -1.041 2.930 209 HH22 ARG 26 2HH2 ARG 26 15.316 -0.971 1.622 210 H SER 27 H SER 27 7.322 2.285 4.512 211 HA SER 27 HA SER 27 8.402 2.301 7.112 212 HB2 SER 27 2HB SER 27 7.425 4.314 6.095 213 HB3 SER 27 3HB SER 27 5.826 3.568 6.124 214 HG SER 27 HG SER 27 6.082 4.942 7.906 215 H TYR 28 H TYR 28 5.543 0.764 5.794 216 HA TYR 28 HA TYR 28 4.755 -0.258 8.432 217 HB2 TYR 28 2HB TYR 28 3.419 -0.292 5.722 218 HB3 TYR 28 3HB TYR 28 2.804 -1.226 7.083 219 HD1 TYR 28 HD1 TYR 28 3.660 2.260 6.056 220 HD2 TYR 28 HD2 TYR 28 1.367 -0.230 8.637 221 HE1 TYR 28 HE1 TYR 28 2.436 4.233 6.859 222 HE2 TYR 28 HE2 TYR 28 0.135 1.736 9.447 223 HH TYR 28 HH TYR 28 0.118 4.001 9.508 224 H ASN 29 H ASN 29 7.158 -1.126 6.712 225 HA ASN 29 HA ASN 29 8.334 -3.016 6.262 226 HB2 ASN 29 2HB ASN 29 7.647 -3.423 8.686 227 HB3 ASN 29 3HB ASN 29 6.389 -4.485 8.059 228 HD21 ASN 29 1HD2 ASN 29 7.297 -6.305 9.055 229 HD22 ASN 29 2HD2 ASN 29 8.766 -7.019 8.493 230 H LEU 30 H LEU 30 5.999 -2.367 4.575 231 HA LEU 30 HA LEU 30 5.158 -4.994 3.573 232 HB2 LEU 30 2HB LEU 30 4.327 -2.227 2.677 233 HB3 LEU 30 3HB LEU 30 3.608 -3.737 2.150 234 HG LEU 30 HG LEU 30 3.511 -2.658 4.978 235 HD11 LEU 30 1HD1 LEU 30 1.149 -2.226 4.529 236 HD12 LEU 30 2HD1 LEU 30 1.361 -2.747 2.858 237 HD13 LEU 30 3HD1 LEU 30 2.184 -1.301 3.444 238 HD21 LEU 30 3HD2 LEU 30 3.462 -5.098 4.907 239 HD22 LEU 30 1HD2 LEU 30 2.140 -5.049 3.738 240 HD23 LEU 30 2HD2 LEU 30 1.892 -4.450 5.379 241 H GLY 31 H GLY 31 7.867 -3.330 3.181 242 HA2 GLY 31 2HA GLY 31 8.080 -2.623 0.479 243 HA3 GLY 31 3HA GLY 31 9.428 -3.017 1.527 244 H CYS 32 H CYS 32 8.328 -5.788 1.945 245 HA CYS 32 HA CYS 32 9.750 -7.006 -0.219 246 HB2 CYS 32 2HB CYS 32 8.181 -8.205 2.065 247 HB3 CYS 32 3HB CYS 32 9.093 -9.159 0.898 248 HG CYS 32 HG CYS 32 10.178 -8.107 3.675 249 H ILE 33 H ILE 33 6.701 -5.802 -0.294 250 HA ILE 33 HA ILE 33 5.071 -7.721 -1.442 251 HB ILE 33 HB ILE 33 4.054 -5.837 -2.795 252 HG12 ILE 33 2HG1 ILE 33 6.130 -4.193 -1.316 253 HG13 ILE 33 3HG1 ILE 33 6.115 -4.496 -3.050 254 HG21 ILE 33 1HG2 ILE 33 4.395 -5.427 0.175 255 HG22 ILE 33 2HG2 ILE 33 3.189 -6.439 -0.618 256 HG23 ILE 33 3HG2 ILE 33 3.140 -4.687 -0.819 257 HD11 ILE 33 3HD1 ILE 33 5.271 -2.290 -2.553 258 HD12 ILE 33 1HD1 ILE 33 4.034 -2.974 -1.498 259 HD13 ILE 33 2HD1 ILE 33 3.993 -3.298 -3.231 260 H GLY 34 H GLY 34 7.703 -5.914 -2.972 261 HA2 GLY 34 2HA GLY 34 7.214 -6.814 -5.632 262 HA3 GLY 34 3HA GLY 34 8.717 -6.138 -5.027 263 H CYS 35 H CYS 35 8.862 -8.244 -2.912 264 HA CYS 35 HA CYS 35 10.218 -10.267 -4.477 265 HB2 CYS 35 2HB CYS 35 11.266 -9.513 -2.427 266 HB3 CYS 35 3HB CYS 35 9.840 -9.944 -1.488 267 HG CYS 35 HG CYS 35 11.270 -11.994 -0.723 268 H MET 36 H MET 36 7.346 -10.121 -2.398 269 HA MET 36 HA MET 36 6.765 -12.947 -2.810 270 HB2 MET 36 2HB MET 36 4.862 -12.565 -1.302 271 HB3 MET 36 3HB MET 36 6.365 -11.974 -0.605 272 HG2 MET 36 2HG MET 36 5.767 -9.692 -1.214 273 HG3 MET 36 3HG MET 36 4.276 -10.269 -1.955 274 HE1 MET 36 3HE MET 36 2.233 -11.249 -0.618 275 HE2 MET 36 1HE MET 36 2.228 -11.514 1.127 276 HE3 MET 36 2HE MET 36 3.270 -12.488 0.091 277 H GLY 37 H GLY 37 6.448 -10.523 -4.868 278 HA2 GLY 37 2HA GLY 37 5.167 -10.174 -6.746 279 HA3 GLY 37 3HA GLY 37 4.508 -11.778 -6.485 280 H ALA 38 H ALA 38 4.133 -9.320 -4.030 281 HA ALA 38 HA ALA 38 1.261 -9.551 -4.184 282 HB1 ALA 38 3HB ALA 38 2.413 -9.417 -2.020 283 HB2 ALA 38 1HB ALA 38 1.223 -8.127 -2.209 284 HB3 ALA 38 2HB ALA 38 2.941 -7.780 -2.408 285 H GLN 39 H GLN 39 3.197 -7.894 -6.135 286 HA GLN 39 HA GLN 39 2.330 -5.235 -6.164 287 HB2 GLN 39 2HB GLN 39 3.119 -6.977 -8.519 288 HB3 GLN 39 3HB GLN 39 3.031 -5.220 -8.538 289 HG2 GLN 39 2HG GLN 39 4.886 -6.839 -6.796 290 HG3 GLN 39 3HG GLN 39 5.331 -6.077 -8.321 291 HE21 GLN 39 1HE2 GLN 39 4.483 -5.522 -4.989 292 HE22 GLN 39 2HE2 GLN 39 5.007 -3.880 -4.930 293 H ASN 40 H ASN 40 0.892 -8.120 -7.603 294 HA ASN 40 HA ASN 40 -1.280 -6.588 -8.815 295 HB2 ASN 40 2HB ASN 40 -0.763 -9.574 -8.831 296 HB3 ASN 40 3HB ASN 40 -1.933 -8.715 -9.830 297 HD21 ASN 40 1HD2 ASN 40 0.338 -10.382 -10.605 298 HD22 ASN 40 2HD2 ASN 40 1.335 -9.384 -11.604 299 H GLU 41 H GLU 41 -0.815 -7.254 -5.785 300 HA GLU 41 HA GLU 41 -3.445 -8.464 -5.216 301 HB2 GLU 41 2HB GLU 41 -1.484 -9.638 -4.285 302 HB3 GLU 41 3HB GLU 41 -1.017 -8.179 -3.423 303 HG2 GLU 41 2HG GLU 41 -2.998 -8.293 -2.055 304 HG3 GLU 41 3HG GLU 41 -3.609 -9.655 -2.990 305 H SER 42 H SER 42 -4.780 -7.518 -3.561 306 HA SER 42 HA SER 42 -4.878 -4.664 -3.707 307 HB2 SER 42 2HB SER 42 -6.491 -6.554 -1.966 308 HB3 SER 42 3HB SER 42 -6.874 -4.862 -2.280 309 HG SER 42 HG SER 42 -8.045 -6.352 -3.616 310 H LEU 43 H LEU 43 -4.744 -3.140 -2.027 311 HA LEU 43 HA LEU 43 -2.537 -3.309 -0.364 312 HB2 LEU 43 2HB LEU 43 -4.960 -1.525 -0.088 313 HB3 LEU 43 3HB LEU 43 -3.446 -1.285 0.765 314 HG LEU 43 HG LEU 43 -3.831 -1.139 -2.237 315 HD11 LEU 43 1HD1 LEU 43 -3.262 1.019 -0.201 316 HD12 LEU 43 2HD1 LEU 43 -4.781 0.775 -1.062 317 HD13 LEU 43 3HD1 LEU 43 -3.332 1.240 -1.952 318 HD21 LEU 43 3HD2 LEU 43 -1.627 -2.024 -1.658 319 HD22 LEU 43 1HD2 LEU 43 -1.355 -0.659 -0.575 320 HD23 LEU 43 2HD2 LEU 43 -1.506 -0.392 -2.313 321 H GLU 44 H GLU 44 -5.952 -3.858 0.500 322 HA GLU 44 HA GLU 44 -5.576 -4.135 3.270 323 HB2 GLU 44 2HB GLU 44 -7.790 -3.858 2.284 324 HB3 GLU 44 3HB GLU 44 -7.666 -5.434 1.511 325 HG2 GLU 44 2HG GLU 44 -7.596 -6.509 3.713 326 HG3 GLU 44 3HG GLU 44 -7.709 -4.929 4.486 327 H GLN 45 H GLN 45 -5.429 -6.556 0.696 328 HA GLN 45 HA GLN 45 -5.301 -8.825 2.353 329 HB2 GLN 45 2HB GLN 45 -4.189 -8.489 -0.441 330 HB3 GLN 45 3HB GLN 45 -4.545 -10.016 0.359 331 HG2 GLN 45 2HG GLN 45 -6.920 -9.426 0.434 332 HG3 GLN 45 3HG GLN 45 -6.565 -7.895 -0.361 333 HE21 GLN 45 1HE2 GLN 45 -7.871 -8.345 -2.122 334 HE22 GLN 45 2HE2 GLN 45 -7.460 -9.530 -3.310 335 H GLY 46 H GLY 46 -2.643 -7.071 0.701 336 HA2 GLY 46 2HA GLY 46 -0.508 -8.460 1.863 337 HA3 GLY 46 3HA GLY 46 -0.435 -6.802 1.288 338 H ALA 47 H ALA 47 -2.340 -5.691 3.095 339 HA ALA 47 HA ALA 47 -0.789 -5.094 5.345 340 HB1 ALA 47 3HB ALA 47 -2.611 -3.660 4.552 341 HB2 ALA 47 1HB ALA 47 -2.798 -4.043 6.263 342 HB3 ALA 47 2HB ALA 47 -3.791 -4.868 5.060 343 H ASN 48 H ASN 48 -3.715 -7.176 5.200 344 HA ASN 48 HA ASN 48 -3.507 -8.173 7.821 345 HB2 ASN 48 2HB ASN 48 -4.799 -9.393 5.372 346 HB3 ASN 48 3HB ASN 48 -4.951 -10.068 6.993 347 HD21 ASN 48 1HD2 ASN 48 -5.982 -7.608 4.830 348 HD22 ASN 48 2HD2 ASN 48 -7.151 -6.889 5.876 349 H ALA 49 H ALA 49 -1.961 -9.223 4.833 350 HA ALA 49 HA ALA 49 -0.915 -11.683 5.697 351 HB1 ALA 49 3HB ALA 49 0.728 -11.430 3.915 352 HB2 ALA 49 1HB ALA 49 0.335 -9.716 3.775 353 HB3 ALA 49 2HB ALA 49 -0.871 -10.934 3.360 354 H HIS 50 H HIS 50 0.130 -8.398 6.375 355 HA HIS 50 HA HIS 50 2.428 -9.444 7.908 356 HB2 HIS 50 2HB HIS 50 1.806 -6.658 6.911 357 HB3 HIS 50 3HB HIS 50 3.128 -7.014 8.015 358 HD1 HIS 50 HD1 HIS 50 5.274 -7.865 7.010 359 HD2 HIS 50 HD2 HIS 50 2.138 -7.833 4.285 360 HE1 HIS 50 HE1 HIS 50 6.324 -8.294 4.776 361 HE2 HIS 50 HE2 HIS 50 4.424 -8.203 3.135 362 H GLY 51 H GLY 51 -0.661 -9.040 8.567 363 HA2 GLY 51 2HA GLY 51 -1.860 -8.742 10.508 364 HA3 GLY 51 3HA GLY 51 -0.327 -8.730 11.364 365 H LEU 52 H LEU 52 -1.618 -6.497 8.910 366 HA LEU 52 HA LEU 52 -1.420 -4.305 10.884 367 HB2 LEU 52 2HB LEU 52 -0.792 -4.186 7.929 368 HB3 LEU 52 3HB LEU 52 -0.752 -2.822 9.032 369 HG LEU 52 HG LEU 52 1.055 -5.245 9.199 370 HD11 LEU 52 1HD1 LEU 52 2.817 -3.731 8.444 371 HD12 LEU 52 2HD1 LEU 52 1.630 -2.442 8.239 372 HD13 LEU 52 3HD1 LEU 52 1.542 -3.892 7.237 373 HD21 LEU 52 3HD2 LEU 52 1.071 -2.656 10.760 374 HD22 LEU 52 1HD2 LEU 52 2.295 -3.922 10.853 375 HD23 LEU 52 2HD2 LEU 52 0.647 -4.249 11.387 376 H ASN 53 H ASN 53 -2.764 -2.393 10.348 377 HA ASN 53 HA ASN 53 -5.350 -3.178 9.208 378 HB2 ASN 53 2HB ASN 53 -5.493 -2.224 11.421 379 HB3 ASN 53 3HB ASN 53 -4.529 -0.832 10.939 380 HD21 ASN 53 1HD2 ASN 53 -6.156 0.583 11.584 381 HD22 ASN 53 2HD2 ASN 53 -7.601 0.798 10.662 382 H VAL 54 H VAL 54 -5.628 -2.758 7.123 383 HA VAL 54 HA VAL 54 -4.047 -1.110 5.525 384 HB VAL 54 HB VAL 54 -5.444 -2.908 4.619 385 HG11 VAL 54 1HG1 VAL 54 -7.431 -2.596 6.009 386 HG12 VAL 54 2HG1 VAL 54 -7.853 -2.612 4.297 387 HG13 VAL 54 3HG1 VAL 54 -7.789 -1.083 5.174 388 HG21 VAL 54 3HG2 VAL 54 -4.644 -1.169 3.106 389 HG22 VAL 54 1HG2 VAL 54 -6.086 -0.205 3.428 390 HG23 VAL 54 2HG2 VAL 54 -6.228 -1.755 2.598 391 H GLU 55 H GLU 55 -6.965 -0.355 7.335 392 HA GLU 55 HA GLU 55 -7.655 2.060 6.072 393 HB2 GLU 55 2HB GLU 55 -8.110 1.179 8.934 394 HB3 GLU 55 3HB GLU 55 -8.921 2.534 8.155 395 HG2 GLU 55 2HG GLU 55 -10.030 1.071 6.609 396 HG3 GLU 55 3HG GLU 55 -9.087 -0.311 7.163 397 H ASP 56 H ASP 56 -5.342 1.388 8.662 398 HA ASP 56 HA ASP 56 -4.762 4.132 9.225 399 HB2 ASP 56 2HB ASP 56 -4.288 2.342 10.846 400 HB3 ASP 56 3HB ASP 56 -3.091 1.660 9.748 401 H ILE 57 H ILE 57 -3.381 1.698 7.073 402 HA ILE 57 HA ILE 57 -1.152 3.184 6.170 403 HB ILE 57 HB ILE 57 -2.710 1.122 4.585 404 HG12 ILE 57 2HG1 ILE 57 -0.402 0.695 6.509 405 HG13 ILE 57 3HG1 ILE 57 -2.082 0.288 6.837 406 HG21 ILE 57 1HG2 ILE 57 -1.071 2.423 3.281 407 HG22 ILE 57 2HG2 ILE 57 -0.596 0.730 3.426 408 HG23 ILE 57 3HG2 ILE 57 0.193 1.957 4.419 409 HD11 ILE 57 3HD1 ILE 57 -0.382 -0.922 4.668 410 HD12 ILE 57 1HD1 ILE 57 -2.052 -1.354 5.045 411 HD13 ILE 57 2HD1 ILE 57 -0.771 -1.668 6.217 412 H LEU 58 H LEU 58 -4.428 2.803 4.822 413 HA LEU 58 HA LEU 58 -4.198 4.431 2.580 414 HB2 LEU 58 2HB LEU 58 -6.613 4.018 4.353 415 HB3 LEU 58 3HB LEU 58 -6.658 4.731 2.750 416 HG LEU 58 HG LEU 58 -5.848 1.889 3.397 417 HD11 LEU 58 1HD1 LEU 58 -8.326 2.982 2.057 418 HD12 LEU 58 2HD1 LEU 58 -8.239 2.253 3.661 419 HD13 LEU 58 3HD1 LEU 58 -7.916 1.274 2.231 420 HD21 LEU 58 3HD2 LEU 58 -6.096 3.288 0.731 421 HD22 LEU 58 1HD2 LEU 58 -5.810 1.561 0.961 422 HD23 LEU 58 2HD2 LEU 58 -4.603 2.732 1.486 423 H ARG 59 H ARG 59 -4.808 5.327 5.940 424 HA ARG 59 HA ARG 59 -5.426 8.009 5.729 425 HB2 ARG 59 2HB ARG 59 -5.406 7.006 7.886 426 HB3 ARG 59 3HB ARG 59 -3.728 6.511 7.726 427 HG2 ARG 59 2HG ARG 59 -3.079 8.919 7.779 428 HG3 ARG 59 3HG ARG 59 -4.766 9.314 8.112 429 HD2 ARG 59 2HD ARG 59 -3.381 9.217 10.161 430 HD3 ARG 59 3HD ARG 59 -4.702 8.052 10.172 431 HE ARG 59 HE ARG 59 -3.129 6.304 9.843 432 HH11 ARG 59 1HH1 ARG 59 -1.640 9.377 10.324 433 HH12 ARG 59 2HH1 ARG 59 -0.126 8.687 10.775 434 HH21 ARG 59 1HH2 ARG 59 -1.185 5.442 10.411 435 HH22 ARG 59 2HH2 ARG 59 0.136 6.485 10.816 436 H ASP 60 H ASP 60 -2.114 6.660 5.961 437 HA ASP 60 HA ASP 60 -0.879 9.202 5.513 438 HB2 ASP 60 2HB ASP 60 0.058 7.171 6.795 439 HB3 ASP 60 3HB ASP 60 0.500 6.530 5.216 440 H LEU 61 H LEU 61 -1.734 6.478 3.451 441 HA LEU 61 HA LEU 61 -0.264 7.203 1.156 442 HB2 LEU 61 2HB LEU 61 -2.826 5.640 1.440 443 HB3 LEU 61 3HB LEU 61 -1.986 5.836 -0.087 444 HG LEU 61 HG LEU 61 -0.903 4.449 2.376 445 HD11 LEU 61 1HD1 LEU 61 -2.622 3.159 1.217 446 HD12 LEU 61 2HD1 LEU 61 -1.031 2.428 1.006 447 HD13 LEU 61 3HD1 LEU 61 -1.755 3.358 -0.308 448 HD21 LEU 61 3HD2 LEU 61 0.875 5.589 1.157 449 HD22 LEU 61 1HD2 LEU 61 0.347 4.834 -0.347 450 HD23 LEU 61 2HD2 LEU 61 0.998 3.841 0.958 451 H ASN 62 H ASN 62 -3.713 7.883 1.922 452 HA ASN 62 HA ASN 62 -4.125 9.454 -0.409 453 HB2 ASN 62 2HB ASN 62 -5.679 9.239 2.171 454 HB3 ASN 62 3HB ASN 62 -6.174 10.310 0.860 455 HD21 ASN 62 1HD2 ASN 62 -5.953 7.043 1.938 456 HD22 ASN 62 2HD2 ASN 62 -6.812 6.331 0.621 457 H ALA 63 H ALA 63 -2.897 10.209 2.772 458 HA ALA 63 HA ALA 63 -3.023 13.004 2.706 459 HB1 ALA 63 3HB ALA 63 -2.365 11.745 4.696 460 HB2 ALA 63 1HB ALA 63 -1.157 12.964 4.289 461 HB3 ALA 63 2HB ALA 63 -0.862 11.268 3.907 462 H LEU 64 H LEU 64 -0.811 10.770 1.117 463 HA LEU 64 HA LEU 64 1.139 12.605 0.235 464 HB2 LEU 64 2HB LEU 64 0.173 10.072 -1.105 465 HB3 LEU 64 3HB LEU 64 1.644 10.931 -1.520 466 HG LEU 64 HG LEU 64 1.092 9.616 1.147 467 HD11 LEU 64 1HD1 LEU 64 2.752 7.963 0.450 468 HD12 LEU 64 2HD1 LEU 64 2.874 8.743 -1.128 469 HD13 LEU 64 3HD1 LEU 64 1.362 7.976 -0.638 470 HD21 LEU 64 3HD2 LEU 64 3.607 10.902 0.068 471 HD22 LEU 64 1HD2 LEU 64 3.453 10.056 1.609 472 HD23 LEU 64 2HD2 LEU 64 2.571 11.557 1.336 473 H ALA 65 H ALA 65 -2.095 11.992 -0.892 474 HA ALA 65 HA ALA 65 -1.714 13.376 -3.421 475 HB1 ALA 65 3HB ALA 65 -4.242 12.347 -2.132 476 HB2 ALA 65 1HB ALA 65 -3.244 11.471 -3.291 477 HB3 ALA 65 2HB ALA 65 -4.088 12.938 -3.786 478 H LEU 66 H LEU 66 -2.484 14.217 -0.200 479 HA LEU 66 HA LEU 66 -3.853 16.693 -0.940 480 HB2 LEU 66 2HB LEU 66 -3.177 15.591 1.792 481 HB3 LEU 66 3HB LEU 66 -4.188 16.989 1.466 482 HG LEU 66 HG LEU 66 -4.832 14.139 0.669 483 HD11 LEU 66 1HD1 LEU 66 -6.597 14.295 2.359 484 HD12 LEU 66 2HD1 LEU 66 -6.009 15.891 2.827 485 HD13 LEU 66 3HD1 LEU 66 -4.996 14.468 3.076 486 HD21 LEU 66 3HD2 LEU 66 -7.016 15.022 0.024 487 HD22 LEU 66 1HD2 LEU 66 -5.729 15.781 -0.914 488 HD23 LEU 66 2HD2 LEU 66 -6.484 16.657 0.417 489 H GLU 67 H GLU 67 -1.002 15.723 0.964 490 HA GLU 67 HA GLU 67 1.023 16.659 1.318 491 HB2 GLU 67 2HB GLU 67 0.221 18.489 -0.949 492 HB3 GLU 67 3HB GLU 67 1.811 18.500 -0.194 493 HG2 GLU 67 2HG GLU 67 2.158 16.174 -0.867 494 HG3 GLU 67 3HG GLU 67 0.556 16.148 -1.609 495 H HIS 68 H HIS 68 -1.390 19.260 0.862 496 HA HIS 68 HA HIS 68 -0.161 21.125 2.565 497 HB2 HIS 68 2HB HIS 68 -3.098 20.852 1.858 498 HB3 HIS 68 3HB HIS 68 -2.337 22.284 2.551 499 HD1 HIS 68 HD1 HIS 68 -0.500 23.470 0.992 500 HD2 HIS 68 HD2 HIS 68 -2.947 20.689 -0.895 501 HE1 HIS 68 HE1 HIS 68 -0.229 23.897 -1.466 502 HE2 HIS 68 HE2 HIS 68 -1.678 22.180 -2.594 503 H HIS 69 H HIS 69 0.170 21.018 4.671 504 HA HIS 69 HA HIS 69 -0.942 18.854 6.203 505 HB2 HIS 69 2HB HIS 69 0.901 21.068 7.134 506 HB3 HIS 69 3HB HIS 69 0.615 19.524 7.935 507 HD1 HIS 69 HD1 HIS 69 1.647 17.393 6.795 508 HD2 HIS 69 HD2 HIS 69 2.749 21.003 5.055 509 HE1 HIS 69 HE1 HIS 69 3.585 16.856 5.305 510 HE2 HIS 69 HE2 HIS 69 4.118 19.013 4.131 511 H HIS 70 H HIS 70 -2.671 18.908 7.484 512 HA HIS 70 HA HIS 70 -3.986 21.450 8.001 513 HB2 HIS 70 2HB HIS 70 -4.856 18.606 8.574 514 HB3 HIS 70 3HB HIS 70 -5.849 20.040 8.838 515 HD1 HIS 70 HD1 HIS 70 -6.730 21.280 6.738 516 HD2 HIS 70 HD2 HIS 70 -4.629 17.794 5.892 517 HE1 HIS 70 HE1 HIS 70 -7.172 20.798 4.315 518 HE2 HIS 70 HE2 HIS 70 -5.706 18.829 3.778 519 H HIS 71 H HIS 71 -4.301 22.368 9.989 520 HA HIS 71 HA HIS 71 -2.130 21.949 11.786 521 HB2 HIS 71 2HB HIS 71 -4.527 23.766 12.111 522 HB3 HIS 71 3HB HIS 71 -3.012 23.870 13.003 523 HD1 HIS 71 HD1 HIS 71 -4.659 25.402 10.267 524 HD2 HIS 71 HD2 HIS 71 -0.739 24.241 11.004 525 HE1 HIS 71 HE1 HIS 71 -3.261 26.684 8.631 526 HE2 HIS 71 HE2 HIS 71 -0.922 25.832 8.969 527 H HIS 72 H HIS 72 -2.061 20.327 13.200 528 HA HIS 72 HA HIS 72 -3.940 20.170 15.337 529 HB2 HIS 72 2HB HIS 72 -4.795 17.925 15.007 530 HB3 HIS 72 3HB HIS 72 -5.204 18.904 13.605 531 HD1 HIS 72 HD1 HIS 72 -3.806 18.413 11.400 532 HD2 HIS 72 HD2 HIS 72 -3.279 15.679 14.479 533 HE1 HIS 72 HE1 HIS 72 -2.737 16.415 10.340 534 HE2 HIS 72 HE2 HIS 72 -2.618 14.706 12.175 535 H HIS 73 H HIS 73 -3.120 19.088 17.117 536 HA HIS 73 HA HIS 73 -0.781 17.396 16.879 537 HB2 HIS 73 2HB HIS 73 0.557 18.837 18.497 538 HB3 HIS 73 3HB HIS 73 0.417 19.436 16.851 539 HD1 HIS 73 HD1 HIS 73 -0.971 20.079 20.316 540 HD2 HIS 73 HD2 HIS 73 -0.671 21.948 16.619 541 HE1 HIS 73 HE1 HIS 73 -1.714 22.440 20.696 542 HE2 HIS 73 HE2 HIS 73 -1.282 23.599 18.511 Start of MODEL 9 1 H1 MET 1 1H MET 1 -17.248 10.561 -0.192 2 H2 MET 1 2H MET 1 -17.186 11.270 1.341 3 H3 MET 1 3H MET 1 -16.292 9.870 1.023 4 HA MET 1 HA MET 1 -15.869 12.519 -0.242 5 HB2 MET 1 2HB MET 1 -15.210 12.480 2.124 6 HB3 MET 1 3HB MET 1 -14.239 11.043 1.846 7 HG2 MET 1 2HG MET 1 -12.802 12.338 0.316 8 HG3 MET 1 3HG MET 1 -13.757 13.778 0.678 9 HE1 MET 1 3HE MET 1 -10.588 13.682 1.004 10 HE2 MET 1 1HE MET 1 -10.393 14.494 2.555 11 HE3 MET 1 2HE MET 1 -11.565 15.099 1.386 12 H THR 2 H THR 2 -15.148 12.211 -2.280 13 HA THR 2 HA THR 2 -14.157 9.797 -3.318 14 HB THR 2 HB THR 2 -13.720 12.601 -4.393 15 HG1 THR 2 HG1 THR 2 -15.524 11.997 -5.741 16 HG21 THR 2 3HG2 THR 2 -13.370 11.485 -6.563 17 HG22 THR 2 1HG2 THR 2 -13.466 9.915 -5.768 18 HG23 THR 2 2HG2 THR 2 -12.143 11.016 -5.391 19 H GLN 3 H GLN 3 -12.391 8.821 -2.506 20 HA GLN 3 HA GLN 3 -10.036 10.385 -1.763 21 HB2 GLN 3 2HB GLN 3 -10.675 7.443 -1.455 22 HB3 GLN 3 3HB GLN 3 -9.181 8.195 -0.907 23 HG2 GLN 3 2HG GLN 3 -10.444 9.616 0.623 24 HG3 GLN 3 3HG GLN 3 -11.950 8.896 0.058 25 HE21 GLN 3 1HE2 GLN 3 -9.025 7.036 0.544 26 HE22 GLN 3 2HE2 GLN 3 -9.596 6.159 1.916 27 H LYS 4 H LYS 4 -7.873 9.126 -2.284 28 HA LYS 4 HA LYS 4 -7.858 8.529 -5.183 29 HB2 LYS 4 2HB LYS 4 -5.723 9.856 -3.491 30 HB3 LYS 4 3HB LYS 4 -5.524 9.415 -5.181 31 HG2 LYS 4 2HG LYS 4 -7.837 11.155 -4.492 32 HG3 LYS 4 3HG LYS 4 -6.230 11.868 -4.403 33 HD2 LYS 4 2HD LYS 4 -7.239 12.260 -6.592 34 HD3 LYS 4 3HD LYS 4 -5.810 11.239 -6.734 35 HE2 LYS 4 2HE LYS 4 -7.622 10.448 -8.173 36 HE3 LYS 4 3HE LYS 4 -7.226 9.261 -6.935 37 HZ1 LYS 4 3HZ LYS 4 -9.507 11.159 -6.804 38 HZ2 LYS 4 1HZ LYS 4 -9.156 9.940 -5.687 39 HZ3 LYS 4 2HZ LYS 4 -9.621 9.536 -7.258 40 H PHE 5 H PHE 5 -7.121 7.363 -2.067 41 HA PHE 5 HA PHE 5 -5.886 4.964 -3.248 42 HB2 PHE 5 2HB PHE 5 -5.057 6.354 -0.687 43 HB3 PHE 5 3HB PHE 5 -4.526 4.740 -1.146 44 HD1 PHE 5 HD1 PHE 5 -4.272 8.326 -1.928 45 HD2 PHE 5 HD2 PHE 5 -2.886 4.406 -2.863 46 HE1 PHE 5 HE1 PHE 5 -2.410 9.291 -3.214 47 HE2 PHE 5 HE2 PHE 5 -1.023 5.370 -4.144 48 HZ PHE 5 HZ PHE 5 -0.786 7.814 -4.322 49 H THR 6 H THR 6 -6.895 3.136 -2.749 50 HA THR 6 HA THR 6 -8.567 2.981 -0.321 51 HB THR 6 HB THR 6 -10.169 3.446 -2.057 52 HG1 THR 6 HG1 THR 6 -11.418 1.540 -1.907 53 HG21 THR 6 3HG2 THR 6 -8.799 2.865 -4.010 54 HG22 THR 6 1HG2 THR 6 -10.374 2.069 -4.080 55 HG23 THR 6 2HG2 THR 6 -8.943 1.152 -3.609 56 H LYS 7 H LYS 7 -8.971 0.829 0.432 57 HA LYS 7 HA LYS 7 -6.754 -0.899 0.319 58 HB2 LYS 7 2HB LYS 7 -8.176 -2.479 1.569 59 HB3 LYS 7 3HB LYS 7 -8.284 -0.845 2.216 60 HG2 LYS 7 2HG LYS 7 -10.416 -0.507 1.089 61 HG3 LYS 7 3HG LYS 7 -10.303 -2.112 0.360 62 HD2 LYS 7 2HD LYS 7 -11.790 -2.115 2.307 63 HD3 LYS 7 3HD LYS 7 -10.378 -3.139 2.571 64 HE2 LYS 7 2HE LYS 7 -9.322 -1.289 3.831 65 HE3 LYS 7 3HE LYS 7 -10.791 -0.337 3.625 66 HZ1 LYS 7 3HZ LYS 7 -10.603 -2.944 5.033 67 HZ2 LYS 7 1HZ LYS 7 -12.009 -2.019 4.853 68 HZ3 LYS 7 2HZ LYS 7 -10.722 -1.425 5.776 69 H ASP 8 H ASP 8 -9.441 -0.588 -1.776 70 HA ASP 8 HA ASP 8 -9.574 -3.237 -2.803 71 HB2 ASP 8 2HB ASP 8 -11.441 -1.673 -2.961 72 HB3 ASP 8 3HB ASP 8 -10.486 -0.595 -3.975 73 H MET 9 H MET 9 -7.725 -0.371 -3.728 74 HA MET 9 HA MET 9 -6.970 -1.331 -6.309 75 HB2 MET 9 2HB MET 9 -5.560 0.600 -6.455 76 HB3 MET 9 3HB MET 9 -7.038 1.089 -5.639 77 HG2 MET 9 2HG MET 9 -5.748 0.718 -3.466 78 HG3 MET 9 3HG MET 9 -4.305 0.677 -4.473 79 HE1 MET 9 3HE MET 9 -4.414 4.265 -6.108 80 HE2 MET 9 1HE MET 9 -5.174 2.814 -6.762 81 HE3 MET 9 2HE MET 9 -3.561 2.722 -6.050 82 H THR 10 H THR 10 -4.829 -1.909 -7.010 83 HA THR 10 HA THR 10 -3.537 -3.738 -5.170 84 HB THR 10 HB THR 10 -2.177 -4.438 -7.074 85 HG1 THR 10 HG1 THR 10 -3.248 -3.142 -9.102 86 HG21 THR 10 3HG2 THR 10 -5.090 -4.089 -7.831 87 HG22 THR 10 1HG2 THR 10 -4.419 -5.409 -6.871 88 HG23 THR 10 2HG2 THR 10 -3.966 -5.233 -8.565 89 H PHE 11 H PHE 11 -1.219 -3.789 -4.813 90 HA PHE 11 HA PHE 11 -0.076 -1.420 -3.922 91 HB2 PHE 11 2HB PHE 11 1.214 -4.021 -4.763 92 HB3 PHE 11 3HB PHE 11 2.121 -2.700 -4.030 93 HD1 PHE 11 HD2 PHE 11 -0.373 -5.328 -3.449 94 HD2 PHE 11 HD1 PHE 11 1.846 -2.144 -1.694 95 HE1 PHE 11 HE2 PHE 11 -0.967 -6.153 -1.206 96 HE2 PHE 11 HE1 PHE 11 1.255 -2.963 0.543 97 HZ PHE 11 HZ PHE 11 -0.151 -4.969 0.793 98 H ALA 12 H ALA 12 0.306 -3.018 -7.075 99 HA ALA 12 HA ALA 12 2.241 -1.329 -8.188 100 HB1 ALA 12 3HB ALA 12 1.529 -3.428 -9.228 101 HB2 ALA 12 1HB ALA 12 1.426 -2.085 -10.365 102 HB3 ALA 12 2HB ALA 12 -0.037 -2.715 -9.609 103 H GLN 13 H GLN 13 -1.323 -1.025 -8.257 104 HA GLN 13 HA GLN 13 -1.442 1.330 -9.794 105 HB2 GLN 13 2HB GLN 13 -3.366 0.313 -7.687 106 HB3 GLN 13 3HB GLN 13 -3.719 1.616 -8.816 107 HG2 GLN 13 2HG GLN 13 -3.479 0.074 -10.690 108 HG3 GLN 13 3HG GLN 13 -3.083 -1.231 -9.576 109 HE21 GLN 13 1HE2 GLN 13 -5.550 1.203 -8.985 110 HE22 GLN 13 2HE2 GLN 13 -6.892 0.116 -9.082 111 H ALA 14 H ALA 14 -1.329 0.896 -6.257 112 HA ALA 14 HA ALA 14 -1.566 3.572 -5.485 113 HB1 ALA 14 3HB ALA 14 -1.701 1.706 -3.912 114 HB2 ALA 14 1HB ALA 14 -0.504 2.891 -3.384 115 HB3 ALA 14 2HB ALA 14 0.019 1.381 -4.135 116 H LEU 15 H LEU 15 1.417 1.692 -6.067 117 HA LEU 15 HA LEU 15 3.290 3.711 -5.632 118 HB2 LEU 15 2HB LEU 15 3.405 1.380 -7.554 119 HB3 LEU 15 3HB LEU 15 4.785 2.378 -7.137 120 HG LEU 15 HG LEU 15 3.224 0.663 -5.190 121 HD11 LEU 15 1HD1 LEU 15 4.494 -0.699 -6.762 122 HD12 LEU 15 2HD1 LEU 15 5.222 -0.759 -5.157 123 HD13 LEU 15 3HD1 LEU 15 5.952 0.233 -6.419 124 HD21 LEU 15 3HD2 LEU 15 4.192 2.659 -4.143 125 HD22 LEU 15 1HD2 LEU 15 5.773 2.245 -4.803 126 HD23 LEU 15 2HD2 LEU 15 5.010 1.192 -3.609 127 H GLN 16 H GLN 16 1.399 2.998 -8.523 128 HA GLN 16 HA GLN 16 2.829 4.897 -10.157 129 HB2 GLN 16 2HB GLN 16 0.312 3.296 -10.626 130 HB3 GLN 16 3HB GLN 16 0.984 4.399 -11.819 131 HG2 GLN 16 2HG GLN 16 2.338 1.962 -10.675 132 HG3 GLN 16 3HG GLN 16 1.648 2.118 -12.290 133 HE21 GLN 16 1HE2 GLN 16 4.296 2.978 -10.217 134 HE22 GLN 16 2HE2 GLN 16 5.322 3.617 -11.451 135 H THR 17 H THR 17 -0.011 5.030 -8.113 136 HA THR 17 HA THR 17 -1.067 7.459 -9.201 137 HB THR 17 HB THR 17 -1.441 6.339 -6.405 138 HG1 THR 17 HG1 THR 17 -2.391 5.524 -8.805 139 HG21 THR 17 3HG2 THR 17 -2.019 8.725 -6.564 140 HG22 THR 17 1HG2 THR 17 -3.458 7.734 -6.338 141 HG23 THR 17 2HG2 THR 17 -3.074 8.381 -7.934 142 H HIS 18 H HIS 18 1.029 6.749 -6.401 143 HA HIS 18 HA HIS 18 2.350 9.322 -6.785 144 HB2 HIS 18 2HB HIS 18 0.802 8.603 -4.324 145 HB3 HIS 18 3HB HIS 18 2.301 9.499 -4.125 146 HD1 HIS 18 HD1 HIS 18 2.319 11.950 -4.825 147 HD2 HIS 18 HD2 HIS 18 -1.283 10.038 -5.606 148 HE1 HIS 18 HE1 HIS 18 0.705 13.772 -5.422 149 HE2 HIS 18 HE2 HIS 18 -1.383 12.569 -6.123 150 HA PRO 19 HA PRO 19 5.800 6.448 -6.327 151 HB2 PRO 19 2HB PRO 19 7.257 9.045 -6.083 152 HB3 PRO 19 3HB PRO 19 7.603 7.654 -7.117 153 HG2 PRO 19 2HG PRO 19 6.515 9.841 -8.156 154 HG3 PRO 19 3HG PRO 19 5.957 8.237 -8.671 155 HD2 PRO 19 2HD PRO 19 4.663 10.183 -6.796 156 HD3 PRO 19 3HD PRO 19 3.920 9.139 -8.025 157 H GLY 20 H GLY 20 5.023 9.068 -4.120 158 HA2 GLY 20 2HA GLY 20 6.879 8.536 -2.065 159 HA3 GLY 20 3HA GLY 20 5.320 9.316 -1.853 160 H VAL 21 H VAL 21 4.046 6.799 -3.023 161 HA VAL 21 HA VAL 21 3.350 5.489 -0.657 162 HB VAL 21 HB VAL 21 3.216 4.455 -3.504 163 HG11 VAL 21 1HG1 VAL 21 3.066 2.594 -1.940 164 HG12 VAL 21 2HG1 VAL 21 1.495 2.902 -2.676 165 HG13 VAL 21 3HG1 VAL 21 1.814 3.438 -1.027 166 HG21 VAL 21 3HG2 VAL 21 1.126 5.804 -1.786 167 HG22 VAL 21 1HG2 VAL 21 0.878 5.178 -3.416 168 HG23 VAL 21 2HG2 VAL 21 1.975 6.532 -3.150 169 H ALA 22 H ALA 22 6.018 4.901 -2.871 170 HA ALA 22 HA ALA 22 6.812 2.344 -2.141 171 HB1 ALA 22 3HB ALA 22 8.596 4.697 -2.795 172 HB2 ALA 22 1HB ALA 22 7.856 3.597 -3.960 173 HB3 ALA 22 2HB ALA 22 9.074 2.998 -2.833 174 H GLY 23 H GLY 23 7.771 5.429 -0.603 175 HA2 GLY 23 2HA GLY 23 9.298 4.278 1.486 176 HA3 GLY 23 3HA GLY 23 8.605 5.894 1.487 177 H VAL 24 H VAL 24 5.879 5.221 1.304 178 HA VAL 24 HA VAL 24 5.181 4.824 3.990 179 HB VAL 24 HB VAL 24 3.411 4.353 1.578 180 HG11 VAL 24 1HG1 VAL 24 2.428 3.481 3.628 181 HG12 VAL 24 2HG1 VAL 24 1.567 4.931 3.113 182 HG13 VAL 24 3HG1 VAL 24 2.719 5.016 4.446 183 HG21 VAL 24 3HG2 VAL 24 3.955 6.902 3.108 184 HG22 VAL 24 1HG2 VAL 24 2.724 6.704 1.860 185 HG23 VAL 24 2HG2 VAL 24 4.432 6.549 1.445 186 H LEU 25 H LEU 25 4.950 2.549 1.244 187 HA LEU 25 HA LEU 25 3.929 0.356 2.626 188 HB2 LEU 25 2HB LEU 25 5.801 0.393 0.253 189 HB3 LEU 25 3HB LEU 25 4.933 -1.025 0.813 190 HG LEU 25 HG LEU 25 3.689 1.502 -0.291 191 HD11 LEU 25 1HD1 LEU 25 3.850 -1.288 -1.430 192 HD12 LEU 25 2HD1 LEU 25 4.747 0.122 -1.998 193 HD13 LEU 25 3HD1 LEU 25 2.990 0.077 -2.146 194 HD21 LEU 25 3HD2 LEU 25 2.376 -1.036 0.692 195 HD22 LEU 25 1HD2 LEU 25 1.560 0.288 -0.143 196 HD23 LEU 25 2HD2 LEU 25 2.276 0.556 1.445 197 H ARG 26 H ARG 26 7.368 1.106 1.943 198 HA ARG 26 HA ARG 26 8.464 -1.047 3.374 199 HB2 ARG 26 2HB ARG 26 9.690 1.702 3.051 200 HB3 ARG 26 3HB ARG 26 10.550 0.206 3.395 201 HG2 ARG 26 2HG ARG 26 9.848 -0.670 1.194 202 HG3 ARG 26 3HG ARG 26 9.065 0.874 0.856 203 HD2 ARG 26 2HD ARG 26 11.157 0.998 -0.212 204 HD3 ARG 26 3HD ARG 26 11.336 1.949 1.263 205 HE ARG 26 HE ARG 26 12.269 -0.843 1.108 206 HH11 ARG 26 1HH1 ARG 26 12.816 2.454 1.924 207 HH12 ARG 26 2HH1 ARG 26 14.464 2.178 2.377 208 HH21 ARG 26 1HH2 ARG 26 14.364 -1.192 1.714 209 HH22 ARG 26 2HH2 ARG 26 15.333 0.129 2.268 210 H SER 27 H SER 27 7.455 2.160 4.439 211 HA SER 27 HA SER 27 8.394 2.075 7.087 212 HB2 SER 27 2HB SER 27 7.556 4.125 5.982 213 HB3 SER 27 3HB SER 27 5.919 3.478 6.041 214 HG SER 27 HG SER 27 6.827 4.976 7.809 215 H TYR 28 H TYR 28 5.549 0.656 5.618 216 HA TYR 28 HA TYR 28 4.635 -0.322 8.248 217 HB2 TYR 28 2HB TYR 28 3.209 -0.039 5.598 218 HB3 TYR 28 3HB TYR 28 2.533 -0.957 6.936 219 HD1 TYR 28 HD1 TYR 28 2.329 0.342 9.215 220 HD2 TYR 28 HD2 TYR 28 2.691 2.236 5.412 221 HE1 TYR 28 HE1 TYR 28 1.322 2.386 10.140 222 HE2 TYR 28 HE2 TYR 28 1.694 4.286 6.335 223 HH TYR 28 HH TYR 28 0.050 4.778 8.359 224 H ASN 29 H ASN 29 6.910 -1.498 6.708 225 HA ASN 29 HA ASN 29 7.801 -3.588 6.492 226 HB2 ASN 29 2HB ASN 29 6.553 -4.080 8.580 227 HB3 ASN 29 3HB ASN 29 5.167 -4.579 7.619 228 HD21 ASN 29 1HD2 ASN 29 8.548 -5.260 6.899 229 HD22 ASN 29 2HD2 ASN 29 8.424 -6.970 7.093 230 H LEU 30 H LEU 30 5.511 -2.452 4.554 231 HA LEU 30 HA LEU 30 4.939 -4.892 3.053 232 HB2 LEU 30 2HB LEU 30 4.080 -2.026 2.612 233 HB3 LEU 30 3HB LEU 30 3.548 -3.390 1.645 234 HG LEU 30 HG LEU 30 3.020 -3.086 4.611 235 HD11 LEU 30 1HD1 LEU 30 1.136 -2.654 2.291 236 HD12 LEU 30 2HD1 LEU 30 1.822 -1.387 3.307 237 HD13 LEU 30 3HD1 LEU 30 0.722 -2.578 4.003 238 HD21 LEU 30 3HD2 LEU 30 3.110 -5.413 3.885 239 HD22 LEU 30 1HD2 LEU 30 1.957 -5.069 2.593 240 HD23 LEU 30 2HD2 LEU 30 1.457 -4.945 4.279 241 H GLY 31 H GLY 31 7.635 -3.214 3.225 242 HA2 GLY 31 2HA GLY 31 8.193 -2.438 0.538 243 HA3 GLY 31 3HA GLY 31 9.378 -2.715 1.802 244 H CYS 32 H CYS 32 7.998 -5.533 1.975 245 HA CYS 32 HA CYS 32 9.834 -6.763 0.062 246 HB2 CYS 32 2HB CYS 32 8.241 -7.975 2.333 247 HB3 CYS 32 3HB CYS 32 9.387 -8.855 1.322 248 HG CYS 32 HG CYS 32 10.151 -7.818 4.090 249 H ILE 33 H ILE 33 6.881 -5.669 -0.403 250 HA ILE 33 HA ILE 33 5.254 -7.782 -1.197 251 HB ILE 33 HB ILE 33 4.206 -6.158 -2.816 252 HG12 ILE 33 2HG1 ILE 33 6.271 -4.255 -1.655 253 HG13 ILE 33 3HG1 ILE 33 6.246 -4.844 -3.313 254 HG21 ILE 33 1HG2 ILE 33 3.379 -6.409 -0.552 255 HG22 ILE 33 2HG2 ILE 33 3.298 -4.717 -1.040 256 HG23 ILE 33 3HG2 ILE 33 4.578 -5.261 0.043 257 HD11 ILE 33 3HD1 ILE 33 4.113 -3.149 -2.033 258 HD12 ILE 33 1HD1 ILE 33 4.143 -3.701 -3.707 259 HD13 ILE 33 2HD1 ILE 33 5.370 -2.577 -3.127 260 H GLY 34 H GLY 34 7.895 -6.248 -2.981 261 HA2 GLY 34 2HA GLY 34 7.401 -7.503 -5.484 262 HA3 GLY 34 3HA GLY 34 8.926 -6.803 -4.970 263 H CYS 35 H CYS 35 8.911 -8.645 -2.572 264 HA CYS 35 HA CYS 35 10.218 -10.891 -3.873 265 HB2 CYS 35 2HB CYS 35 9.887 -10.257 -0.930 266 HB3 CYS 35 3HB CYS 35 10.907 -11.529 -1.595 267 HG CYS 35 HG CYS 35 12.499 -9.605 -3.035 268 H MET 36 H MET 36 7.561 -10.462 -1.519 269 HA MET 36 HA MET 36 6.800 -13.206 -1.511 270 HB2 MET 36 2HB MET 36 4.809 -12.459 -0.283 271 HB3 MET 36 3HB MET 36 6.275 -11.744 0.369 272 HG2 MET 36 2HG MET 36 5.781 -9.660 -0.830 273 HG3 MET 36 3HG MET 36 4.292 -10.380 -1.443 274 HE1 MET 36 3HE MET 36 3.302 -12.061 1.110 275 HE2 MET 36 1HE MET 36 2.241 -11.076 0.100 276 HE3 MET 36 2HE MET 36 2.223 -10.881 1.853 277 H GLY 37 H GLY 37 6.093 -10.613 -3.680 278 HA2 GLY 37 2HA GLY 37 5.110 -10.852 -5.797 279 HA3 GLY 37 3HA GLY 37 4.458 -12.406 -5.304 280 H ALA 38 H ALA 38 4.103 -8.928 -4.549 281 HA ALA 38 HA ALA 38 1.195 -9.395 -4.269 282 HB1 ALA 38 3HB ALA 38 1.102 -7.898 -2.382 283 HB2 ALA 38 1HB ALA 38 2.828 -7.555 -2.524 284 HB3 ALA 38 2HB ALA 38 2.283 -9.169 -2.066 285 H GLN 39 H GLN 39 3.213 -7.973 -6.322 286 HA GLN 39 HA GLN 39 2.458 -5.269 -6.457 287 HB2 GLN 39 2HB GLN 39 3.370 -7.197 -8.592 288 HB3 GLN 39 3HB GLN 39 3.011 -5.514 -8.955 289 HG2 GLN 39 2HG GLN 39 5.061 -6.448 -6.949 290 HG3 GLN 39 3HG GLN 39 5.411 -5.942 -8.603 291 HE21 GLN 39 1HE2 GLN 39 4.459 -4.886 -5.431 292 HE22 GLN 39 2HE2 GLN 39 4.710 -3.202 -5.703 293 H ASN 40 H ASN 40 0.907 -8.129 -7.841 294 HA ASN 40 HA ASN 40 -1.229 -6.506 -9.023 295 HB2 ASN 40 2HB ASN 40 -0.878 -9.515 -9.096 296 HB3 ASN 40 3HB ASN 40 -1.954 -8.550 -10.103 297 HD21 ASN 40 1HD2 ASN 40 1.309 -9.529 -9.524 298 HD22 ASN 40 2HD2 ASN 40 1.964 -8.945 -11.010 299 H GLU 41 H GLU 41 -0.731 -7.218 -6.020 300 HA GLU 41 HA GLU 41 -3.369 -8.390 -5.414 301 HB2 GLU 41 2HB GLU 41 -1.334 -9.568 -4.559 302 HB3 GLU 41 3HB GLU 41 -0.948 -8.142 -3.608 303 HG2 GLU 41 2HG GLU 41 -2.931 -8.415 -2.283 304 HG3 GLU 41 3HG GLU 41 -3.495 -9.726 -3.317 305 H SER 42 H SER 42 -4.687 -7.414 -3.770 306 HA SER 42 HA SER 42 -4.661 -4.553 -3.881 307 HB2 SER 42 2HB SER 42 -6.418 -6.404 -2.249 308 HB3 SER 42 3HB SER 42 -6.702 -4.682 -2.498 309 HG SER 42 HG SER 42 -7.283 -5.047 -4.539 310 H LEU 43 H LEU 43 -4.536 -3.064 -2.167 311 HA LEU 43 HA LEU 43 -2.392 -3.273 -0.455 312 HB2 LEU 43 2HB LEU 43 -4.856 -1.544 -0.205 313 HB3 LEU 43 3HB LEU 43 -3.420 -1.334 0.781 314 HG LEU 43 HG LEU 43 -3.487 -1.085 -2.237 315 HD11 LEU 43 1HD1 LEU 43 -3.376 1.064 -0.118 316 HD12 LEU 43 2HD1 LEU 43 -4.757 0.703 -1.154 317 HD13 LEU 43 3HD1 LEU 43 -3.262 1.316 -1.861 318 HD21 LEU 43 3HD2 LEU 43 -1.241 -0.142 -1.975 319 HD22 LEU 43 1HD2 LEU 43 -1.311 -1.800 -1.378 320 HD23 LEU 43 2HD2 LEU 43 -1.307 -0.452 -0.239 321 H GLU 44 H GLU 44 -5.825 -3.775 0.438 322 HA GLU 44 HA GLU 44 -5.384 -4.179 3.178 323 HB2 GLU 44 2HB GLU 44 -7.616 -3.753 2.365 324 HB3 GLU 44 3HB GLU 44 -7.600 -5.229 1.408 325 HG2 GLU 44 2HG GLU 44 -7.660 -6.593 3.359 326 HG3 GLU 44 3HG GLU 44 -7.368 -5.212 4.411 327 H GLN 45 H GLN 45 -5.348 -6.498 0.505 328 HA GLN 45 HA GLN 45 -5.304 -8.852 2.045 329 HB2 GLN 45 2HB GLN 45 -4.043 -8.402 -0.671 330 HB3 GLN 45 3HB GLN 45 -4.473 -9.956 0.032 331 HG2 GLN 45 2HG GLN 45 -6.843 -9.313 -0.012 332 HG3 GLN 45 3HG GLN 45 -6.401 -7.768 -0.738 333 HE21 GLN 45 1HE2 GLN 45 -7.551 -8.125 -2.618 334 HE22 GLN 45 2HE2 GLN 45 -7.080 -9.295 -3.797 335 H GLY 46 H GLY 46 -2.537 -7.206 0.454 336 HA2 GLY 46 2HA GLY 46 -0.488 -8.697 1.631 337 HA3 GLY 46 3HA GLY 46 -0.322 -7.047 1.052 338 H ALA 47 H ALA 47 -2.142 -5.808 2.865 339 HA ALA 47 HA ALA 47 -0.536 -5.381 5.140 340 HB1 ALA 47 3HB ALA 47 -2.163 -3.738 4.309 341 HB2 ALA 47 1HB ALA 47 -2.417 -4.093 6.018 342 HB3 ALA 47 2HB ALA 47 -3.483 -4.797 4.802 343 H ASN 48 H ASN 48 -3.579 -7.231 4.798 344 HA ASN 48 HA ASN 48 -3.725 -8.181 7.439 345 HB2 ASN 48 2HB ASN 48 -4.829 -9.260 4.843 346 HB3 ASN 48 3HB ASN 48 -5.115 -10.068 6.379 347 HD21 ASN 48 1HD2 ASN 48 -4.940 -6.581 6.009 348 HD22 ASN 48 2HD2 ASN 48 -6.604 -6.287 6.350 349 H ALA 49 H ALA 49 -2.081 -9.507 4.591 350 HA ALA 49 HA ALA 49 -1.246 -11.957 5.671 351 HB1 ALA 49 3HB ALA 49 -1.089 -11.392 3.288 352 HB2 ALA 49 1HB ALA 49 0.456 -11.961 3.922 353 HB3 ALA 49 2HB ALA 49 0.194 -10.239 3.646 354 H HIS 50 H HIS 50 0.205 -8.733 5.900 355 HA HIS 50 HA HIS 50 2.423 -9.750 7.516 356 HB2 HIS 50 2HB HIS 50 1.756 -7.000 6.452 357 HB3 HIS 50 3HB HIS 50 3.108 -7.299 7.537 358 HD1 HIS 50 HD1 HIS 50 5.220 -7.402 6.266 359 HD2 HIS 50 HD2 HIS 50 2.062 -8.998 4.092 360 HE1 HIS 50 HE1 HIS 50 6.216 -8.143 4.092 361 HE2 HIS 50 HE2 HIS 50 4.336 -9.325 2.905 362 H GLY 51 H GLY 51 -0.665 -9.239 8.248 363 HA2 GLY 51 2HA GLY 51 -1.823 -8.846 10.194 364 HA3 GLY 51 3HA GLY 51 -0.286 -8.969 11.034 365 H LEU 52 H LEU 52 -1.724 -6.623 8.745 366 HA LEU 52 HA LEU 52 -0.953 -4.456 10.608 367 HB2 LEU 52 2HB LEU 52 -0.946 -4.365 7.591 368 HB3 LEU 52 3HB LEU 52 -0.454 -3.070 8.667 369 HG LEU 52 HG LEU 52 0.949 -5.742 8.521 370 HD11 LEU 52 1HD1 LEU 52 2.664 -4.594 7.206 371 HD12 LEU 52 2HD1 LEU 52 1.656 -3.148 7.150 372 HD13 LEU 52 3HD1 LEU 52 1.115 -4.633 6.368 373 HD21 LEU 52 3HD2 LEU 52 2.749 -4.584 9.687 374 HD22 LEU 52 1HD2 LEU 52 1.257 -4.517 10.622 375 HD23 LEU 52 2HD2 LEU 52 1.796 -3.099 9.721 376 H ASN 53 H ASN 53 -2.301 -2.636 10.732 377 HA ASN 53 HA ASN 53 -5.052 -2.978 9.901 378 HB2 ASN 53 2HB ASN 53 -4.617 -1.983 12.082 379 HB3 ASN 53 3HB ASN 53 -3.657 -0.705 11.344 380 HD21 ASN 53 1HD2 ASN 53 -4.962 0.903 12.204 381 HD22 ASN 53 2HD2 ASN 53 -6.558 1.214 11.617 382 H VAL 54 H VAL 54 -5.354 -2.742 7.744 383 HA VAL 54 HA VAL 54 -3.853 -1.166 5.999 384 HB VAL 54 HB VAL 54 -5.287 -3.019 5.245 385 HG11 VAL 54 1HG1 VAL 54 -7.225 -2.618 6.680 386 HG12 VAL 54 2HG1 VAL 54 -7.701 -2.728 4.986 387 HG13 VAL 54 3HG1 VAL 54 -7.605 -1.152 5.774 388 HG21 VAL 54 3HG2 VAL 54 -5.955 -0.380 3.929 389 HG22 VAL 54 1HG2 VAL 54 -6.126 -1.972 3.191 390 HG23 VAL 54 2HG2 VAL 54 -4.526 -1.366 3.617 391 H GLU 55 H GLU 55 -6.624 -0.297 7.963 392 HA GLU 55 HA GLU 55 -7.487 2.018 6.657 393 HB2 GLU 55 2HB GLU 55 -7.467 1.459 9.633 394 HB3 GLU 55 3HB GLU 55 -8.435 2.690 8.832 395 HG2 GLU 55 2HG GLU 55 -8.669 -0.288 8.395 396 HG3 GLU 55 3HG GLU 55 -9.738 0.694 9.394 397 H ASP 56 H ASP 56 -5.043 1.677 9.225 398 HA ASP 56 HA ASP 56 -4.459 4.440 9.444 399 HB2 ASP 56 2HB ASP 56 -3.935 2.509 11.086 400 HB3 ASP 56 3HB ASP 56 -2.499 2.244 10.105 401 H ILE 57 H ILE 57 -3.263 1.902 7.361 402 HA ILE 57 HA ILE 57 -1.029 3.301 6.276 403 HB ILE 57 HB ILE 57 -2.668 1.100 4.991 404 HG12 ILE 57 2HG1 ILE 57 -0.170 0.907 6.706 405 HG13 ILE 57 3HG1 ILE 57 -1.791 0.431 7.200 406 HG21 ILE 57 1HG2 ILE 57 0.157 2.023 4.421 407 HG22 ILE 57 2HG2 ILE 57 -1.250 2.295 3.393 408 HG23 ILE 57 3HG2 ILE 57 -0.659 0.656 3.659 409 HD11 ILE 57 3HD1 ILE 57 -1.809 -1.305 5.490 410 HD12 ILE 57 1HD1 ILE 57 -0.437 -1.491 6.584 411 HD13 ILE 57 2HD1 ILE 57 -0.195 -0.815 4.972 412 H LEU 58 H LEU 58 -4.376 2.822 5.134 413 HA LEU 58 HA LEU 58 -4.238 4.213 2.730 414 HB2 LEU 58 2HB LEU 58 -6.573 3.967 4.633 415 HB3 LEU 58 3HB LEU 58 -6.697 4.524 2.974 416 HG LEU 58 HG LEU 58 -5.800 1.764 3.831 417 HD11 LEU 58 1HD1 LEU 58 -8.179 2.119 4.232 418 HD12 LEU 58 2HD1 LEU 58 -7.922 0.998 2.896 419 HD13 LEU 58 3HD1 LEU 58 -8.389 2.667 2.568 420 HD21 LEU 58 3HD2 LEU 58 -6.293 2.892 1.071 421 HD22 LEU 58 1HD2 LEU 58 -5.913 1.210 1.452 422 HD23 LEU 58 2HD2 LEU 58 -4.723 2.475 1.761 423 H ARG 59 H ARG 59 -4.780 5.451 5.993 424 HA ARG 59 HA ARG 59 -5.457 8.089 5.488 425 HB2 ARG 59 2HB ARG 59 -5.333 7.076 7.749 426 HB3 ARG 59 3HB ARG 59 -3.577 7.076 7.640 427 HG2 ARG 59 2HG ARG 59 -3.778 9.614 7.316 428 HG3 ARG 59 3HG ARG 59 -5.439 9.426 7.879 429 HD2 ARG 59 2HD ARG 59 -4.145 10.000 9.782 430 HD3 ARG 59 3HD ARG 59 -4.490 8.275 9.921 431 HE ARG 59 HE ARG 59 -1.953 9.016 8.697 432 HH11 ARG 59 1HH1 ARG 59 -3.614 7.946 11.522 433 HH12 ARG 59 2HH1 ARG 59 -2.168 7.399 12.293 434 HH21 ARG 59 1HH2 ARG 59 -0.106 8.325 9.710 435 HH22 ARG 59 2HH2 ARG 59 -0.207 7.605 11.278 436 H ASP 60 H ASP 60 -2.159 6.784 5.914 437 HA ASP 60 HA ASP 60 -0.849 9.236 5.340 438 HB2 ASP 60 2HB ASP 60 0.067 7.271 6.673 439 HB3 ASP 60 3HB ASP 60 0.369 6.471 5.133 440 H LEU 61 H LEU 61 -1.815 6.494 3.355 441 HA LEU 61 HA LEU 61 -0.366 7.124 1.017 442 HB2 LEU 61 2HB LEU 61 -3.006 5.691 1.349 443 HB3 LEU 61 3HB LEU 61 -2.110 5.764 -0.157 444 HG LEU 61 HG LEU 61 -1.145 4.469 2.401 445 HD11 LEU 61 1HD1 LEU 61 -2.081 3.248 -0.196 446 HD12 LEU 61 2HD1 LEU 61 -2.936 3.203 1.347 447 HD13 LEU 61 3HD1 LEU 61 -1.392 2.369 1.170 448 HD21 LEU 61 3HD2 LEU 61 0.717 5.389 1.147 449 HD22 LEU 61 1HD2 LEU 61 0.130 4.625 -0.333 450 HD23 LEU 61 2HD2 LEU 61 0.706 3.632 1.005 451 H ASN 62 H ASN 62 -3.768 7.912 1.867 452 HA ASN 62 HA ASN 62 -4.232 9.489 -0.445 453 HB2 ASN 62 2HB ASN 62 -5.632 9.348 2.227 454 HB3 ASN 62 3HB ASN 62 -6.161 10.445 0.955 455 HD21 ASN 62 1HD2 ASN 62 -5.967 7.145 1.973 456 HD22 ASN 62 2HD2 ASN 62 -6.957 6.489 0.718 457 H ALA 63 H ALA 63 -2.859 10.243 2.690 458 HA ALA 63 HA ALA 63 -2.909 13.040 2.584 459 HB1 ALA 63 3HB ALA 63 -1.043 12.975 4.164 460 HB2 ALA 63 1HB ALA 63 -0.792 11.266 3.805 461 HB3 ALA 63 2HB ALA 63 -2.281 11.792 4.588 462 H LEU 64 H LEU 64 -0.823 10.748 0.937 463 HA LEU 64 HA LEU 64 1.133 12.605 0.012 464 HB2 LEU 64 2HB LEU 64 0.257 9.976 -1.200 465 HB3 LEU 64 3HB LEU 64 1.716 10.854 -1.621 466 HG LEU 64 HG LEU 64 1.136 9.649 1.091 467 HD11 LEU 64 1HD1 LEU 64 2.872 8.022 0.491 468 HD12 LEU 64 2HD1 LEU 64 2.957 8.717 -1.127 469 HD13 LEU 64 3HD1 LEU 64 1.476 7.927 -0.582 470 HD21 LEU 64 3HD2 LEU 64 2.570 11.626 1.231 471 HD22 LEU 64 1HD2 LEU 64 3.644 10.942 0.009 472 HD23 LEU 64 2HD2 LEU 64 3.481 10.156 1.580 473 H ALA 65 H ALA 65 -2.025 11.657 -1.140 474 HA ALA 65 HA ALA 65 -1.731 12.956 -3.715 475 HB1 ALA 65 3HB ALA 65 -4.176 11.770 -2.394 476 HB2 ALA 65 1HB ALA 65 -3.093 10.937 -3.510 477 HB3 ALA 65 2HB ALA 65 -4.061 12.298 -4.074 478 H LEU 66 H LEU 66 -3.261 13.635 -0.614 479 HA LEU 66 HA LEU 66 -4.582 16.027 -1.499 480 HB2 LEU 66 2HB LEU 66 -3.997 15.028 1.294 481 HB3 LEU 66 3HB LEU 66 -5.048 16.377 0.908 482 HG LEU 66 HG LEU 66 -5.521 13.496 0.111 483 HD11 LEU 66 1HD1 LEU 66 -6.894 15.213 2.183 484 HD12 LEU 66 2HD1 LEU 66 -5.813 13.856 2.503 485 HD13 LEU 66 3HD1 LEU 66 -7.365 13.577 1.714 486 HD21 LEU 66 3HD2 LEU 66 -7.724 14.283 -0.634 487 HD22 LEU 66 1HD2 LEU 66 -6.420 15.040 -1.546 488 HD23 LEU 66 2HD2 LEU 66 -7.251 15.945 -0.282 489 H GLU 67 H GLU 67 -1.675 15.366 0.447 490 HA GLU 67 HA GLU 67 0.149 16.594 1.001 491 HB2 GLU 67 2HB GLU 67 -0.730 18.429 -1.233 492 HB3 GLU 67 3HB GLU 67 0.840 18.463 -0.445 493 HG2 GLU 67 2HG GLU 67 1.288 16.190 -1.271 494 HG3 GLU 67 3HG GLU 67 -0.271 16.199 -2.099 495 H HIS 68 H HIS 68 -2.942 17.930 1.279 496 HA HIS 68 HA HIS 68 -2.477 20.570 2.029 497 HB2 HIS 68 2HB HIS 68 -4.688 18.678 2.852 498 HB3 HIS 68 3HB HIS 68 -4.685 20.396 3.227 499 HD1 HIS 68 HD1 HIS 68 -5.007 22.042 1.234 500 HD2 HIS 68 HD2 HIS 68 -5.398 18.029 0.240 501 HE1 HIS 68 HE1 HIS 68 -6.043 22.014 -1.050 502 HE2 HIS 68 HE2 HIS 68 -6.240 19.579 -1.649 503 H HIS 69 H HIS 69 -2.275 21.620 3.986 504 HA HIS 69 HA HIS 69 -0.517 20.624 5.870 505 HB2 HIS 69 2HB HIS 69 -1.147 23.030 5.436 506 HB3 HIS 69 3HB HIS 69 -2.607 22.760 6.375 507 HD1 HIS 69 HD1 HIS 69 0.994 23.492 6.690 508 HD2 HIS 69 HD2 HIS 69 -2.145 22.389 9.179 509 HE1 HIS 69 HE1 HIS 69 1.794 23.949 9.024 510 HE2 HIS 69 HE2 HIS 69 -0.047 23.112 10.508 511 H HIS 70 H HIS 70 -0.726 19.122 7.428 512 HA HIS 70 HA HIS 70 -3.246 17.989 8.155 513 HB2 HIS 70 2HB HIS 70 -0.501 17.632 9.392 514 HB3 HIS 70 3HB HIS 70 -1.915 16.670 9.807 515 HD1 HIS 70 HD1 HIS 70 -2.735 14.940 8.029 516 HD2 HIS 70 HD2 HIS 70 0.755 16.942 6.989 517 HE1 HIS 70 HE1 HIS 70 -1.754 13.634 6.129 518 HE2 HIS 70 HE2 HIS 70 0.441 14.762 5.633 519 H HIS 71 H HIS 71 -4.004 17.807 10.473 520 HA HIS 71 HA HIS 71 -4.947 18.839 12.268 521 HB2 HIS 71 2HB HIS 71 -2.639 18.782 13.115 522 HB3 HIS 71 3HB HIS 71 -2.299 20.318 12.329 523 HD1 HIS 71 HD1 HIS 71 -2.337 22.205 13.903 524 HD2 HIS 71 HD2 HIS 71 -4.965 19.205 15.065 525 HE1 HIS 71 HE1 HIS 71 -3.369 23.010 16.042 526 HE2 HIS 71 HE2 HIS 71 -4.905 21.156 16.763 527 H HIS 72 H HIS 72 -5.295 19.986 9.561 528 HA HIS 72 HA HIS 72 -6.279 22.639 10.370 529 HB2 HIS 72 2HB HIS 72 -4.161 22.959 9.134 530 HB3 HIS 72 3HB HIS 72 -4.826 22.066 7.771 531 HD1 HIS 72 HD1 HIS 72 -6.248 23.363 6.121 532 HD2 HIS 72 HD2 HIS 72 -5.394 25.526 9.569 533 HE1 HIS 72 HE1 HIS 72 -7.029 25.701 5.661 534 HE2 HIS 72 HE2 HIS 72 -6.394 27.016 7.703 535 H HIS 73 H HIS 73 -8.298 23.119 9.676 536 HA HIS 73 HA HIS 73 -9.734 21.129 8.079 537 HB2 HIS 73 2HB HIS 73 -10.737 23.554 9.597 538 HB3 HIS 73 3HB HIS 73 -11.761 22.403 8.745 539 HD1 HIS 73 HD1 HIS 73 -12.346 20.256 9.940 540 HD2 HIS 73 HD2 HIS 73 -9.481 22.498 11.947 541 HE1 HIS 73 HE1 HIS 73 -12.086 19.161 12.184 542 HE2 HIS 73 HE2 HIS 73 -10.219 20.425 13.301 Start of MODEL 10 1 H1 MET 1 1H MET 1 -17.435 11.556 -1.624 2 H2 MET 1 2H MET 1 -17.846 12.184 -0.107 3 H3 MET 1 3H MET 1 -18.060 10.538 -0.426 4 HA MET 1 HA MET 1 -15.453 11.938 -0.356 5 HB2 MET 1 2HB MET 1 -16.428 11.797 1.874 6 HB3 MET 1 3HB MET 1 -16.754 10.084 1.655 7 HG2 MET 1 2HG MET 1 -14.357 9.630 1.556 8 HG3 MET 1 3HG MET 1 -14.018 11.350 1.757 9 HE1 MET 1 3HE MET 1 -12.810 8.986 3.614 10 HE2 MET 1 1HE MET 1 -12.922 9.764 5.193 11 HE3 MET 1 2HE MET 1 -12.397 10.691 3.787 12 H THR 2 H THR 2 -14.539 10.988 -2.149 13 HA THR 2 HA THR 2 -14.438 8.030 -2.224 14 HB THR 2 HB THR 2 -13.888 10.000 -4.466 15 HG1 THR 2 HG1 THR 2 -15.851 9.393 -5.270 16 HG21 THR 2 3HG2 THR 2 -12.512 7.989 -4.698 17 HG22 THR 2 1HG2 THR 2 -13.788 8.006 -5.916 18 HG23 THR 2 2HG2 THR 2 -13.940 6.972 -4.495 19 H GLN 3 H GLN 3 -12.640 7.430 -1.071 20 HA GLN 3 HA GLN 3 -10.192 8.915 -1.099 21 HB2 GLN 3 2HB GLN 3 -10.824 6.109 -0.163 22 HB3 GLN 3 3HB GLN 3 -9.236 6.854 0.004 23 HG2 GLN 3 2HG GLN 3 -10.282 8.658 1.349 24 HG3 GLN 3 3HG GLN 3 -11.814 7.793 1.257 25 HE21 GLN 3 1HE2 GLN 3 -8.737 6.159 1.579 26 HE22 GLN 3 2HE2 GLN 3 -8.981 5.619 3.198 27 H LYS 4 H LYS 4 -8.966 9.093 -2.865 28 HA LYS 4 HA LYS 4 -9.062 7.425 -5.113 29 HB2 LYS 4 2HB LYS 4 -6.792 9.226 -4.227 30 HB3 LYS 4 3HB LYS 4 -7.018 8.582 -5.851 31 HG2 LYS 4 2HG LYS 4 -9.194 9.802 -5.964 32 HG3 LYS 4 3HG LYS 4 -8.808 10.539 -4.407 33 HD2 LYS 4 2HD LYS 4 -7.175 10.797 -6.941 34 HD3 LYS 4 3HD LYS 4 -8.255 12.026 -6.281 35 HE2 LYS 4 2HE LYS 4 -6.862 12.196 -4.282 36 HE3 LYS 4 3HE LYS 4 -5.800 10.929 -4.902 37 HZ1 LYS 4 3HZ LYS 4 -6.259 13.585 -6.144 38 HZ2 LYS 4 1HZ LYS 4 -5.283 12.366 -6.791 39 HZ3 LYS 4 2HZ LYS 4 -4.863 13.100 -5.327 40 H PHE 5 H PHE 5 -6.850 7.397 -2.343 41 HA PHE 5 HA PHE 5 -5.727 4.834 -3.229 42 HB2 PHE 5 2HB PHE 5 -5.071 6.529 -0.799 43 HB3 PHE 5 3HB PHE 5 -4.236 5.052 -1.263 44 HD1 PHE 5 HD2 PHE 5 -4.796 8.587 -2.104 45 HD2 PHE 5 HD1 PHE 5 -2.637 5.039 -3.059 46 HE1 PHE 5 HE2 PHE 5 -3.242 9.905 -3.481 47 HE2 PHE 5 HE1 PHE 5 -1.080 6.355 -4.432 48 HZ PHE 5 HZ PHE 5 -1.380 8.790 -4.646 49 H THR 6 H THR 6 -7.073 3.165 -2.835 50 HA THR 6 HA THR 6 -8.352 2.974 -0.176 51 HB THR 6 HB THR 6 -10.147 3.563 -1.631 52 HG1 THR 6 HG1 THR 6 -11.442 1.909 -1.115 53 HG21 THR 6 3HG2 THR 6 -10.675 2.330 -3.684 54 HG22 THR 6 1HG2 THR 6 -9.231 1.340 -3.467 55 HG23 THR 6 2HG2 THR 6 -9.077 3.070 -3.779 56 H LYS 7 H LYS 7 -9.115 0.729 0.334 57 HA LYS 7 HA LYS 7 -6.951 -1.072 0.239 58 HB2 LYS 7 2HB LYS 7 -8.473 -2.675 1.303 59 HB3 LYS 7 3HB LYS 7 -8.600 -1.086 2.044 60 HG2 LYS 7 2HG LYS 7 -10.666 -0.653 0.834 61 HG3 LYS 7 3HG LYS 7 -10.524 -2.200 -0.001 62 HD2 LYS 7 2HD LYS 7 -12.113 -2.406 1.818 63 HD3 LYS 7 3HD LYS 7 -10.676 -3.364 2.178 64 HE2 LYS 7 2HE LYS 7 -9.854 -1.525 3.616 65 HE3 LYS 7 3HE LYS 7 -11.336 -0.631 3.284 66 HZ1 LYS 7 3HZ LYS 7 -11.456 -1.800 5.392 67 HZ2 LYS 7 1HZ LYS 7 -11.182 -3.279 4.619 68 HZ3 LYS 7 2HZ LYS 7 -12.600 -2.410 4.311 69 H ASP 8 H ASP 8 -9.579 -0.580 -1.944 70 HA ASP 8 HA ASP 8 -9.760 -3.135 -3.121 71 HB2 ASP 8 2HB ASP 8 -11.537 -1.572 -3.442 72 HB3 ASP 8 3HB ASP 8 -10.448 -0.371 -4.126 73 H MET 9 H MET 9 -7.753 -0.321 -3.993 74 HA MET 9 HA MET 9 -6.871 -1.443 -6.469 75 HB2 MET 9 2HB MET 9 -5.344 0.460 -6.575 76 HB3 MET 9 3HB MET 9 -6.961 0.974 -6.121 77 HG2 MET 9 2HG MET 9 -6.156 0.924 -3.723 78 HG3 MET 9 3HG MET 9 -4.528 0.753 -4.376 79 HE1 MET 9 3HE MET 9 -4.225 4.094 -6.474 80 HE2 MET 9 1HE MET 9 -4.917 2.590 -7.081 81 HE3 MET 9 2HE MET 9 -3.464 2.553 -6.083 82 H THR 10 H THR 10 -4.777 -2.159 -7.055 83 HA THR 10 HA THR 10 -3.544 -3.848 -5.072 84 HB THR 10 HB THR 10 -2.054 -4.607 -6.868 85 HG1 THR 10 HG1 THR 10 -2.793 -3.596 -9.053 86 HG21 THR 10 3HG2 THR 10 -3.770 -5.489 -8.424 87 HG22 THR 10 1HG2 THR 10 -4.949 -4.379 -7.726 88 HG23 THR 10 2HG2 THR 10 -4.244 -5.656 -6.734 89 H PHE 11 H PHE 11 -1.252 -3.901 -4.583 90 HA PHE 11 HA PHE 11 -0.143 -1.511 -3.715 91 HB2 PHE 11 2HB PHE 11 1.207 -4.125 -4.416 92 HB3 PHE 11 3HB PHE 11 2.054 -2.782 -3.655 93 HD1 PHE 11 HD2 PHE 11 1.501 -2.107 -1.351 94 HD2 PHE 11 HD1 PHE 11 -0.303 -5.511 -3.168 95 HE1 PHE 11 HE2 PHE 11 0.784 -2.907 0.862 96 HE2 PHE 11 HE1 PHE 11 -1.024 -6.311 -0.959 97 HZ PHE 11 HZ PHE 11 -0.480 -5.012 1.059 98 H ALA 12 H ALA 12 0.542 -3.249 -6.751 99 HA ALA 12 HA ALA 12 2.583 -1.598 -7.714 100 HB1 ALA 12 3HB ALA 12 2.011 -3.795 -8.658 101 HB2 ALA 12 1HB ALA 12 2.108 -2.542 -9.898 102 HB3 ALA 12 2HB ALA 12 0.534 -3.107 -9.335 103 H GLN 13 H GLN 13 -0.932 -1.388 -8.317 104 HA GLN 13 HA GLN 13 -0.847 0.876 -9.989 105 HB2 GLN 13 2HB GLN 13 -3.052 -0.149 -8.191 106 HB3 GLN 13 3HB GLN 13 -3.262 1.158 -9.352 107 HG2 GLN 13 2HG GLN 13 -2.717 -0.343 -11.183 108 HG3 GLN 13 3HG GLN 13 -2.416 -1.652 -10.043 109 HE21 GLN 13 1HE2 GLN 13 -5.051 0.616 -9.653 110 HE22 GLN 13 2HE2 GLN 13 -6.307 -0.518 -9.977 111 H ALA 14 H ALA 14 -1.165 0.625 -6.453 112 HA ALA 14 HA ALA 14 -1.497 3.345 -5.868 113 HB1 ALA 14 3HB ALA 14 -1.757 1.571 -4.199 114 HB2 ALA 14 1HB ALA 14 -0.630 2.811 -3.644 115 HB3 ALA 14 2HB ALA 14 -0.021 1.268 -4.246 116 H LEU 15 H LEU 15 1.504 1.455 -6.207 117 HA LEU 15 HA LEU 15 3.352 3.505 -5.733 118 HB2 LEU 15 2HB LEU 15 3.636 1.136 -7.591 119 HB3 LEU 15 3HB LEU 15 4.959 2.104 -6.967 120 HG LEU 15 HG LEU 15 3.118 0.358 -5.317 121 HD11 LEU 15 1HD1 LEU 15 4.652 -0.953 -6.673 122 HD12 LEU 15 2HD1 LEU 15 5.108 -1.029 -4.971 123 HD13 LEU 15 3HD1 LEU 15 6.016 -0.003 -6.082 124 HD21 LEU 15 3HD2 LEU 15 4.638 0.859 -3.460 125 HD22 LEU 15 1HD2 LEU 15 3.839 2.313 -4.060 126 HD23 LEU 15 2HD2 LEU 15 5.519 1.990 -4.490 127 H GLN 16 H GLN 16 1.766 2.509 -8.753 128 HA GLN 16 HA GLN 16 3.194 4.315 -10.431 129 HB2 GLN 16 2HB GLN 16 0.526 2.950 -10.857 130 HB3 GLN 16 3HB GLN 16 1.416 3.820 -12.099 131 HG2 GLN 16 2HG GLN 16 2.307 1.321 -10.667 132 HG3 GLN 16 3HG GLN 16 1.768 1.445 -12.341 133 HE21 GLN 16 1HE2 GLN 16 4.350 2.082 -10.112 134 HE22 GLN 16 2HE2 GLN 16 5.556 2.438 -11.295 135 H THR 17 H THR 17 0.344 4.653 -8.445 136 HA THR 17 HA THR 17 -0.604 7.088 -9.617 137 HB THR 17 HB THR 17 -1.121 6.048 -6.813 138 HG1 THR 17 HG1 THR 17 -1.748 4.629 -8.626 139 HG21 THR 17 3HG2 THR 17 -1.711 8.407 -7.066 140 HG22 THR 17 1HG2 THR 17 -3.169 7.421 -6.951 141 HG23 THR 17 2HG2 THR 17 -2.641 8.034 -8.519 142 H HIS 18 H HIS 18 1.460 6.317 -6.833 143 HA HIS 18 HA HIS 18 2.689 8.960 -6.977 144 HB2 HIS 18 2HB HIS 18 0.947 8.068 -4.738 145 HB3 HIS 18 3HB HIS 18 2.455 8.847 -4.278 146 HD1 HIS 18 HD1 HIS 18 -0.515 9.617 -6.565 147 HD2 HIS 18 HD2 HIS 18 2.259 11.528 -4.137 148 HE1 HIS 18 HE1 HIS 18 -1.198 12.028 -6.534 149 HE2 HIS 18 HE2 HIS 18 0.633 13.190 -5.262 150 HA PRO 19 HA PRO 19 6.218 6.097 -6.415 151 HB2 PRO 19 2HB PRO 19 7.473 8.810 -6.165 152 HB3 PRO 19 3HB PRO 19 8.028 7.394 -7.069 153 HG2 PRO 19 2HG PRO 19 6.873 9.413 -8.347 154 HG3 PRO 19 3HG PRO 19 6.498 7.739 -8.800 155 HD2 PRO 19 2HD PRO 19 4.860 9.696 -7.241 156 HD3 PRO 19 3HD PRO 19 4.339 8.450 -8.395 157 H GLY 20 H GLY 20 5.346 8.874 -4.394 158 HA2 GLY 20 2HA GLY 20 6.986 8.364 -2.169 159 HA3 GLY 20 3HA GLY 20 5.455 9.222 -2.123 160 H VAL 21 H VAL 21 4.008 6.828 -3.173 161 HA VAL 21 HA VAL 21 3.154 5.641 -0.800 162 HB VAL 21 HB VAL 21 3.014 4.572 -3.631 163 HG11 VAL 21 1HG1 VAL 21 2.753 2.727 -2.050 164 HG12 VAL 21 2HG1 VAL 21 1.225 3.094 -2.851 165 HG13 VAL 21 3HG1 VAL 21 1.502 3.628 -1.193 166 HG21 VAL 21 3HG2 VAL 21 0.707 5.406 -3.567 167 HG22 VAL 21 1HG2 VAL 21 1.873 6.704 -3.305 168 HG23 VAL 21 2HG2 VAL 21 0.979 6.033 -1.941 169 H ALA 22 H ALA 22 5.718 4.653 -3.022 170 HA ALA 22 HA ALA 22 6.286 2.104 -2.065 171 HB1 ALA 22 3HB ALA 22 8.236 4.171 -3.085 172 HB2 ALA 22 1HB ALA 22 7.325 3.025 -4.067 173 HB3 ALA 22 2HB ALA 22 8.555 2.442 -2.945 174 H GLY 23 H GLY 23 7.617 5.221 -0.931 175 HA2 GLY 23 2HA GLY 23 9.233 4.189 1.134 176 HA3 GLY 23 3HA GLY 23 8.605 5.826 1.056 177 H VAL 24 H VAL 24 5.875 5.360 1.225 178 HA VAL 24 HA VAL 24 5.429 5.076 3.979 179 HB VAL 24 HB VAL 24 3.406 4.676 1.757 180 HG11 VAL 24 1HG1 VAL 24 2.589 3.872 3.918 181 HG12 VAL 24 2HG1 VAL 24 1.739 5.340 3.436 182 HG13 VAL 24 3HG1 VAL 24 3.004 5.417 4.663 183 HG21 VAL 24 3HG2 VAL 24 4.549 6.820 1.528 184 HG22 VAL 24 1HG2 VAL 24 4.208 7.202 3.217 185 HG23 VAL 24 2HG2 VAL 24 2.885 7.063 2.058 186 H LEU 25 H LEU 25 4.699 2.759 1.352 187 HA LEU 25 HA LEU 25 3.744 0.673 2.945 188 HB2 LEU 25 2HB LEU 25 5.223 0.490 0.315 189 HB3 LEU 25 3HB LEU 25 4.290 -0.805 1.041 190 HG LEU 25 HG LEU 25 3.186 1.834 0.059 191 HD11 LEU 25 1HD1 LEU 25 2.097 0.495 -1.664 192 HD12 LEU 25 2HD1 LEU 25 2.894 -0.956 -1.052 193 HD13 LEU 25 3HD1 LEU 25 3.852 0.348 -1.755 194 HD21 LEU 25 3HD2 LEU 25 0.982 0.867 0.521 195 HD22 LEU 25 1HD2 LEU 25 1.939 1.026 1.993 196 HD23 LEU 25 2HD2 LEU 25 1.751 -0.553 1.230 197 H ARG 26 H ARG 26 7.081 1.198 1.737 198 HA ARG 26 HA ARG 26 8.216 -1.078 2.947 199 HB2 ARG 26 2HB ARG 26 9.524 1.563 2.249 200 HB3 ARG 26 3HB ARG 26 10.396 0.095 2.678 201 HG2 ARG 26 2HG ARG 26 9.350 -1.035 0.726 202 HG3 ARG 26 3HG ARG 26 8.626 0.508 0.270 203 HD2 ARG 26 2HD ARG 26 10.632 0.152 -1.020 204 HD3 ARG 26 3HD ARG 26 10.902 1.482 0.107 205 HE ARG 26 HE ARG 26 11.941 -0.426 1.533 206 HH11 ARG 26 1HH1 ARG 26 12.196 -0.046 -1.882 207 HH12 ARG 26 2HH1 ARG 26 13.693 -0.904 -1.972 208 HH21 ARG 26 1HH2 ARG 26 13.867 -1.503 1.407 209 HH22 ARG 26 2HH2 ARG 26 14.634 -1.716 -0.129 210 H SER 27 H SER 27 7.739 2.203 4.180 211 HA SER 27 HA SER 27 9.060 1.899 6.657 212 HB2 SER 27 2HB SER 27 8.312 4.093 5.796 213 HB3 SER 27 3HB SER 27 6.632 3.613 6.024 214 HG SER 27 HG SER 27 6.838 3.821 8.161 215 H TYR 28 H TYR 28 5.777 1.088 5.636 216 HA TYR 28 HA TYR 28 5.038 0.156 8.297 217 HB2 TYR 28 2HB TYR 28 3.578 0.507 5.697 218 HB3 TYR 28 3HB TYR 28 2.877 -0.491 6.968 219 HD1 TYR 28 HD1 TYR 28 4.211 2.935 6.315 220 HD2 TYR 28 HD2 TYR 28 1.671 0.505 8.717 221 HE1 TYR 28 HE1 TYR 28 3.337 4.949 7.421 222 HE2 TYR 28 HE2 TYR 28 0.788 2.513 9.824 223 HH TYR 28 HH TYR 28 1.495 4.816 10.275 224 H ASN 29 H ASN 29 7.180 -1.248 6.775 225 HA ASN 29 HA ASN 29 7.961 -3.385 6.732 226 HB2 ASN 29 2HB ASN 29 6.796 -3.522 8.934 227 HB3 ASN 29 3HB ASN 29 5.359 -4.114 8.110 228 HD21 ASN 29 1HD2 ASN 29 8.644 -4.860 9.021 229 HD22 ASN 29 2HD2 ASN 29 8.520 -6.565 8.783 230 H LEU 30 H LEU 30 5.880 -2.311 4.667 231 HA LEU 30 HA LEU 30 5.053 -4.883 3.496 232 HB2 LEU 30 2HB LEU 30 4.305 -2.053 2.735 233 HB3 LEU 30 3HB LEU 30 3.677 -3.503 1.974 234 HG LEU 30 HG LEU 30 3.255 -2.757 4.877 235 HD11 LEU 30 1HD1 LEU 30 0.953 -2.276 4.232 236 HD12 LEU 30 2HD1 LEU 30 1.345 -2.596 2.544 237 HD13 LEU 30 3HD1 LEU 30 2.084 -1.227 3.376 238 HD21 LEU 30 3HD2 LEU 30 1.622 -4.579 4.879 239 HD22 LEU 30 1HD2 LEU 30 3.240 -5.172 4.507 240 HD23 LEU 30 2HD2 LEU 30 2.053 -4.979 3.216 241 H GLY 31 H GLY 31 7.855 -3.573 3.439 242 HA2 GLY 31 2HA GLY 31 8.435 -2.768 0.800 243 HA3 GLY 31 3HA GLY 31 9.604 -3.372 1.962 244 H CYS 32 H CYS 32 8.135 -5.983 2.167 245 HA CYS 32 HA CYS 32 9.617 -7.354 0.154 246 HB2 CYS 32 2HB CYS 32 9.297 -8.384 2.315 247 HB3 CYS 32 3HB CYS 32 7.549 -8.369 2.109 248 HG CYS 32 HG CYS 32 9.778 -10.608 1.112 249 H ILE 33 H ILE 33 6.584 -5.880 -0.047 250 HA ILE 33 HA ILE 33 4.972 -7.645 -1.435 251 HB ILE 33 HB ILE 33 3.909 -5.687 -2.528 252 HG12 ILE 33 2HG1 ILE 33 6.104 -4.106 -1.148 253 HG13 ILE 33 3HG1 ILE 33 5.951 -4.340 -2.885 254 HG21 ILE 33 1HG2 ILE 33 4.471 -5.380 0.423 255 HG22 ILE 33 2HG2 ILE 33 3.210 -6.373 -0.309 256 HG23 ILE 33 3HG2 ILE 33 3.143 -4.618 -0.452 257 HD11 ILE 33 3HD1 ILE 33 5.175 -2.144 -2.207 258 HD12 ILE 33 1HD1 ILE 33 3.990 -2.880 -1.128 259 HD13 ILE 33 2HD1 ILE 33 3.855 -3.102 -2.873 260 H GLY 34 H GLY 34 7.731 -5.855 -2.675 261 HA2 GLY 34 2HA GLY 34 7.228 -6.308 -5.445 262 HA3 GLY 34 3HA GLY 34 8.764 -5.843 -4.733 263 H CYS 35 H CYS 35 8.872 -8.179 -2.961 264 HA CYS 35 HA CYS 35 10.004 -10.040 -4.893 265 HB2 CYS 35 2HB CYS 35 11.290 -9.412 -2.887 266 HB3 CYS 35 3HB CYS 35 10.040 -10.111 -1.865 267 HG CYS 35 HG CYS 35 10.977 -12.496 -1.854 268 H MET 36 H MET 36 7.583 -10.160 -2.274 269 HA MET 36 HA MET 36 6.961 -12.927 -2.728 270 HB2 MET 36 2HB MET 36 5.238 -12.622 -1.018 271 HB3 MET 36 3HB MET 36 6.768 -11.928 -0.503 272 HG2 MET 36 2HG MET 36 5.945 -9.694 -1.096 273 HG3 MET 36 3HG MET 36 4.406 -10.400 -1.584 274 HE1 MET 36 3HE MET 36 2.752 -11.628 0.093 275 HE2 MET 36 1HE MET 36 3.028 -11.762 1.831 276 HE3 MET 36 2HE MET 36 4.039 -12.667 0.706 277 H GLY 37 H GLY 37 6.361 -10.652 -4.842 278 HA2 GLY 37 2HA GLY 37 4.961 -10.627 -6.671 279 HA3 GLY 37 3HA GLY 37 4.202 -12.079 -6.047 280 H ALA 38 H ALA 38 4.108 -9.660 -3.704 281 HA ALA 38 HA ALA 38 1.277 -9.476 -3.820 282 HB1 ALA 38 3HB ALA 38 2.495 -9.337 -1.714 283 HB2 ALA 38 1HB ALA 38 1.483 -7.912 -1.952 284 HB3 ALA 38 2HB ALA 38 3.223 -7.814 -2.223 285 H GLN 39 H GLN 39 3.569 -7.869 -5.673 286 HA GLN 39 HA GLN 39 2.580 -5.302 -6.045 287 HB2 GLN 39 2HB GLN 39 3.662 -7.247 -8.099 288 HB3 GLN 39 3HB GLN 39 3.386 -5.539 -8.418 289 HG2 GLN 39 2HG GLN 39 5.281 -6.647 -6.348 290 HG3 GLN 39 3HG GLN 39 5.739 -6.048 -7.942 291 HE21 GLN 39 1HE2 GLN 39 4.657 -5.181 -4.765 292 HE22 GLN 39 2HE2 GLN 39 4.949 -3.489 -4.908 293 H ASN 40 H ASN 40 1.321 -8.368 -7.230 294 HA ASN 40 HA ASN 40 -0.775 -7.054 -8.798 295 HB2 ASN 40 2HB ASN 40 -0.271 -10.022 -8.441 296 HB3 ASN 40 3HB ASN 40 -1.267 -9.255 -9.675 297 HD21 ASN 40 1HD2 ASN 40 1.917 -10.125 -8.719 298 HD22 ASN 40 2HD2 ASN 40 2.715 -9.623 -10.169 299 H GLU 41 H GLU 41 -0.583 -7.313 -5.688 300 HA GLU 41 HA GLU 41 -3.236 -8.541 -5.247 301 HB2 GLU 41 2HB GLU 41 -1.343 -9.728 -4.176 302 HB3 GLU 41 3HB GLU 41 -0.942 -8.263 -3.290 303 HG2 GLU 41 2HG GLU 41 -2.986 -8.372 -2.051 304 HG3 GLU 41 3HG GLU 41 -3.579 -9.698 -3.050 305 H SER 42 H SER 42 -4.669 -7.523 -3.755 306 HA SER 42 HA SER 42 -4.649 -4.666 -3.914 307 HB2 SER 42 2HB SER 42 -6.515 -6.558 -2.464 308 HB3 SER 42 3HB SER 42 -6.772 -4.819 -2.597 309 HG SER 42 HG SER 42 -7.340 -5.037 -4.628 310 H LEU 43 H LEU 43 -4.763 -3.160 -2.166 311 HA LEU 43 HA LEU 43 -2.583 -3.296 -0.482 312 HB2 LEU 43 2HB LEU 43 -5.060 -1.595 -0.209 313 HB3 LEU 43 3HB LEU 43 -3.587 -1.341 0.710 314 HG LEU 43 HG LEU 43 -3.869 -1.115 -2.297 315 HD11 LEU 43 1HD1 LEU 43 -3.421 0.993 -0.180 316 HD12 LEU 43 2HD1 LEU 43 -4.900 0.741 -1.108 317 HD13 LEU 43 3HD1 LEU 43 -3.427 1.265 -1.924 318 HD21 LEU 43 3HD2 LEU 43 -1.456 -0.688 -0.527 319 HD22 LEU 43 1HD2 LEU 43 -1.549 -0.283 -2.243 320 HD23 LEU 43 2HD2 LEU 43 -1.669 -1.964 -1.727 321 H GLU 44 H GLU 44 -5.989 -3.929 0.458 322 HA GLU 44 HA GLU 44 -5.362 -4.198 3.220 323 HB2 GLU 44 2HB GLU 44 -7.611 -3.606 2.535 324 HB3 GLU 44 3HB GLU 44 -7.797 -5.140 1.694 325 HG2 GLU 44 2HG GLU 44 -7.781 -6.358 3.748 326 HG3 GLU 44 3HG GLU 44 -7.310 -4.925 4.659 327 H GLN 45 H GLN 45 -5.769 -6.602 0.626 328 HA GLN 45 HA GLN 45 -5.597 -8.931 2.148 329 HB2 GLN 45 2HB GLN 45 -4.404 -8.466 -0.599 330 HB3 GLN 45 3HB GLN 45 -4.764 -10.033 0.116 331 HG2 GLN 45 2HG GLN 45 -7.158 -9.447 0.151 332 HG3 GLN 45 3HG GLN 45 -6.777 -7.906 -0.614 333 HE21 GLN 45 1HE2 GLN 45 -8.006 -8.340 -2.431 334 HE22 GLN 45 2HE2 GLN 45 -7.542 -9.514 -3.610 335 H GLY 46 H GLY 46 -2.918 -7.107 0.627 336 HA2 GLY 46 2HA GLY 46 -0.794 -8.573 1.755 337 HA3 GLY 46 3HA GLY 46 -0.698 -6.909 1.199 338 H ALA 47 H ALA 47 -2.627 -5.821 3.041 339 HA ALA 47 HA ALA 47 -1.052 -5.290 5.300 340 HB1 ALA 47 3HB ALA 47 -2.845 -3.801 4.554 341 HB2 ALA 47 1HB ALA 47 -3.047 -4.237 6.251 342 HB3 ALA 47 2HB ALA 47 -4.049 -5.003 5.018 343 H ASN 48 H ASN 48 -3.894 -7.449 4.993 344 HA ASN 48 HA ASN 48 -3.845 -8.508 7.586 345 HB2 ASN 48 2HB ASN 48 -4.799 -9.683 4.975 346 HB3 ASN 48 3HB ASN 48 -4.949 -10.552 6.496 347 HD21 ASN 48 1HD2 ASN 48 -6.105 -7.912 4.590 348 HD22 ASN 48 2HD2 ASN 48 -7.449 -7.512 5.595 349 H ALA 49 H ALA 49 -2.028 -9.476 4.706 350 HA ALA 49 HA ALA 49 -0.841 -11.812 5.717 351 HB1 ALA 49 3HB ALA 49 0.863 -11.500 3.994 352 HB2 ALA 49 1HB ALA 49 0.334 -9.832 3.759 353 HB3 ALA 49 2HB ALA 49 -0.746 -11.166 3.356 354 H HIS 50 H HIS 50 -0.053 -8.432 6.250 355 HA HIS 50 HA HIS 50 2.295 -9.209 7.859 356 HB2 HIS 50 2HB HIS 50 1.537 -6.559 6.609 357 HB3 HIS 50 3HB HIS 50 2.890 -6.756 7.719 358 HD1 HIS 50 HD1 HIS 50 5.022 -6.904 6.482 359 HD2 HIS 50 HD2 HIS 50 1.906 -8.671 4.378 360 HE1 HIS 50 HE1 HIS 50 6.053 -7.797 4.380 361 HE2 HIS 50 HE2 HIS 50 4.205 -9.089 3.276 362 H GLY 51 H GLY 51 -0.828 -8.886 8.450 363 HA2 GLY 51 2HA GLY 51 -2.058 -8.541 10.360 364 HA3 GLY 51 3HA GLY 51 -0.536 -8.524 11.230 365 H LEU 52 H LEU 52 -1.678 -6.262 8.747 366 HA LEU 52 HA LEU 52 -1.449 -4.089 10.739 367 HB2 LEU 52 2HB LEU 52 -0.988 -3.967 7.753 368 HB3 LEU 52 3HB LEU 52 -0.840 -2.617 8.864 369 HG LEU 52 HG LEU 52 0.905 -5.090 8.881 370 HD11 LEU 52 1HD1 LEU 52 2.664 -3.592 8.074 371 HD12 LEU 52 2HD1 LEU 52 1.494 -2.278 7.959 372 HD13 LEU 52 3HD1 LEU 52 1.326 -3.701 6.930 373 HD21 LEU 52 3HD2 LEU 52 1.099 -2.543 10.495 374 HD22 LEU 52 1HD2 LEU 52 2.264 -3.868 10.505 375 HD23 LEU 52 2HD2 LEU 52 0.629 -4.127 11.114 376 H ASN 53 H ASN 53 -2.792 -2.184 10.339 377 HA ASN 53 HA ASN 53 -5.449 -2.858 9.312 378 HB2 ASN 53 2HB ASN 53 -5.481 -1.839 11.487 379 HB3 ASN 53 3HB ASN 53 -4.421 -0.535 10.960 380 HD21 ASN 53 1HD2 ASN 53 -5.955 0.973 11.688 381 HD22 ASN 53 2HD2 ASN 53 -7.393 1.302 10.787 382 H VAL 54 H VAL 54 -5.855 -2.449 7.233 383 HA VAL 54 HA VAL 54 -4.176 -1.011 5.531 384 HB VAL 54 HB VAL 54 -5.817 -2.712 4.766 385 HG11 VAL 54 1HG1 VAL 54 -7.736 -2.006 6.112 386 HG12 VAL 54 2HG1 VAL 54 -8.150 -2.094 4.400 387 HG13 VAL 54 3HG1 VAL 54 -7.868 -0.526 5.160 388 HG21 VAL 54 3HG2 VAL 54 -6.086 -0.034 3.385 389 HG22 VAL 54 1HG2 VAL 54 -6.403 -1.614 2.666 390 HG23 VAL 54 2HG2 VAL 54 -4.766 -1.183 3.161 391 H GLU 55 H GLU 55 -6.946 0.100 7.412 392 HA GLU 55 HA GLU 55 -7.372 2.532 6.023 393 HB2 GLU 55 2HB GLU 55 -8.074 1.751 8.859 394 HB3 GLU 55 3HB GLU 55 -8.647 3.210 8.056 395 HG2 GLU 55 2HG GLU 55 -9.783 1.867 6.376 396 HG3 GLU 55 3HG GLU 55 -9.172 0.391 7.122 397 H ASP 56 H ASP 56 -5.201 1.684 8.670 398 HA ASP 56 HA ASP 56 -4.435 4.373 9.290 399 HB2 ASP 56 2HB ASP 56 -4.109 2.351 10.795 400 HB3 ASP 56 3HB ASP 56 -2.789 1.862 9.735 401 H ILE 57 H ILE 57 -3.269 1.900 7.065 402 HA ILE 57 HA ILE 57 -1.006 3.333 6.100 403 HB ILE 57 HB ILE 57 -2.622 1.217 4.652 404 HG12 ILE 57 2HG1 ILE 57 -0.188 0.873 6.435 405 HG13 ILE 57 3HG1 ILE 57 -1.840 0.476 6.899 406 HG21 ILE 57 1HG2 ILE 57 -1.117 2.440 3.175 407 HG22 ILE 57 2HG2 ILE 57 -0.536 0.794 3.419 408 HG23 ILE 57 3HG2 ILE 57 0.233 2.134 4.268 409 HD11 ILE 57 3HD1 ILE 57 -1.931 -1.216 5.148 410 HD12 ILE 57 1HD1 ILE 57 -0.590 -1.506 6.258 411 HD13 ILE 57 2HD1 ILE 57 -0.283 -0.812 4.667 412 H LEU 58 H LEU 58 -4.306 2.909 4.785 413 HA LEU 58 HA LEU 58 -4.125 4.505 2.521 414 HB2 LEU 58 2HB LEU 58 -6.513 4.135 4.342 415 HB3 LEU 58 3HB LEU 58 -6.579 4.801 2.720 416 HG LEU 58 HG LEU 58 -5.804 1.973 3.455 417 HD11 LEU 58 1HD1 LEU 58 -7.857 1.366 2.255 418 HD12 LEU 58 2HD1 LEU 58 -8.234 3.076 2.045 419 HD13 LEU 58 3HD1 LEU 58 -8.190 2.374 3.663 420 HD21 LEU 58 3HD2 LEU 58 -5.753 1.573 1.029 421 HD22 LEU 58 1HD2 LEU 58 -4.512 2.717 1.540 422 HD23 LEU 58 2HD2 LEU 58 -5.976 3.299 0.749 423 H ARG 59 H ARG 59 -4.649 5.417 5.869 424 HA ARG 59 HA ARG 59 -5.332 8.082 5.708 425 HB2 ARG 59 2HB ARG 59 -5.079 6.841 7.822 426 HB3 ARG 59 3HB ARG 59 -3.340 6.772 7.584 427 HG2 ARG 59 2HG ARG 59 -3.661 9.433 7.514 428 HG3 ARG 59 3HG ARG 59 -5.047 9.009 8.521 429 HD2 ARG 59 2HD ARG 59 -3.216 9.424 9.991 430 HD3 ARG 59 3HD ARG 59 -3.462 7.675 9.960 431 HE ARG 59 HE ARG 59 -1.347 9.061 8.435 432 HH11 ARG 59 1HH1 ARG 59 -2.432 6.389 10.313 433 HH12 ARG 59 2HH1 ARG 59 -0.951 5.521 10.138 434 HH21 ARG 59 1HH2 ARG 59 0.568 7.952 8.239 435 HH22 ARG 59 2HH2 ARG 59 0.732 6.403 8.990 436 H ASP 60 H ASP 60 -2.034 6.719 5.705 437 HA ASP 60 HA ASP 60 -0.786 9.256 5.294 438 HB2 ASP 60 2HB ASP 60 0.103 6.938 6.315 439 HB3 ASP 60 3HB ASP 60 0.700 6.745 4.670 440 H LEU 61 H LEU 61 -1.625 6.536 3.188 441 HA LEU 61 HA LEU 61 -0.291 7.315 0.862 442 HB2 LEU 61 2HB LEU 61 -2.944 5.882 1.090 443 HB3 LEU 61 3HB LEU 61 -1.945 5.940 -0.350 444 HG LEU 61 HG LEU 61 -1.258 4.587 2.264 445 HD11 LEU 61 1HD1 LEU 61 -2.880 3.370 0.904 446 HD12 LEU 61 2HD1 LEU 61 -1.329 2.534 0.952 447 HD13 LEU 61 3HD1 LEU 61 -1.791 3.453 -0.483 448 HD21 LEU 61 3HD2 LEU 61 0.740 5.578 1.296 449 HD22 LEU 61 1HD2 LEU 61 0.384 4.821 -0.257 450 HD23 LEU 61 2HD2 LEU 61 0.779 3.822 1.144 451 H ASN 62 H ASN 62 -3.692 8.060 1.772 452 HA ASN 62 HA ASN 62 -4.059 9.868 -0.413 453 HB2 ASN 62 2HB ASN 62 -5.611 9.526 2.167 454 HB3 ASN 62 3HB ASN 62 -6.093 10.627 0.877 455 HD21 ASN 62 1HD2 ASN 62 -5.850 7.329 1.877 456 HD22 ASN 62 2HD2 ASN 62 -6.738 6.648 0.563 457 H ALA 63 H ALA 63 -2.801 10.199 2.836 458 HA ALA 63 HA ALA 63 -2.816 13.024 2.997 459 HB1 ALA 63 3HB ALA 63 -2.467 11.586 4.951 460 HB2 ALA 63 1HB ALA 63 -1.172 12.771 4.774 461 HB3 ALA 63 2HB ALA 63 -0.902 11.092 4.305 462 H LEU 64 H LEU 64 -0.846 10.871 1.135 463 HA LEU 64 HA LEU 64 1.331 12.645 0.643 464 HB2 LEU 64 2HB LEU 64 0.181 10.472 -1.121 465 HB3 LEU 64 3HB LEU 64 1.728 11.260 -1.370 466 HG LEU 64 HG LEU 64 1.006 9.541 1.013 467 HD11 LEU 64 1HD1 LEU 64 2.552 7.913 0.061 468 HD12 LEU 64 2HD1 LEU 64 2.796 8.949 -1.345 469 HD13 LEU 64 3HD1 LEU 64 1.211 8.236 -1.037 470 HD21 LEU 64 3HD2 LEU 64 3.638 10.813 0.246 471 HD22 LEU 64 1HD2 LEU 64 3.387 9.687 1.579 472 HD23 LEU 64 2HD2 LEU 64 2.616 11.272 1.608 473 H ALA 65 H ALA 65 -1.908 12.396 -0.620 474 HA ALA 65 HA ALA 65 -1.396 14.264 -2.811 475 HB1 ALA 65 3HB ALA 65 -3.958 12.876 -2.013 476 HB2 ALA 65 1HB ALA 65 -2.806 12.295 -3.216 477 HB3 ALA 65 2HB ALA 65 -3.685 13.799 -3.491 478 H LEU 66 H LEU 66 -3.041 14.166 0.303 479 HA LEU 66 HA LEU 66 -4.086 16.882 -0.010 480 HB2 LEU 66 2HB LEU 66 -4.260 15.000 2.348 481 HB3 LEU 66 3HB LEU 66 -5.142 16.504 2.162 482 HG LEU 66 HG LEU 66 -5.492 14.049 0.431 483 HD11 LEU 66 1HD1 LEU 66 -7.241 15.179 2.616 484 HD12 LEU 66 2HD1 LEU 66 -6.285 13.700 2.707 485 HD13 LEU 66 3HD1 LEU 66 -7.637 13.806 1.579 486 HD21 LEU 66 3HD2 LEU 66 -7.021 16.658 0.492 487 HD22 LEU 66 1HD2 LEU 66 -7.461 15.232 -0.450 488 HD23 LEU 66 2HD2 LEU 66 -5.964 16.093 -0.803 489 H GLU 67 H GLU 67 -1.797 15.108 1.998 490 HA GLU 67 HA GLU 67 -0.228 15.667 3.492 491 HB2 GLU 67 2HB GLU 67 -0.065 18.175 1.822 492 HB3 GLU 67 3HB GLU 67 1.105 17.729 3.060 493 HG2 GLU 67 2HG GLU 67 1.438 15.570 1.770 494 HG3 GLU 67 3HG GLU 67 0.511 16.314 0.471 495 H HIS 68 H HIS 68 -1.081 19.090 3.260 496 HA HIS 68 HA HIS 68 -1.695 20.598 4.839 497 HB2 HIS 68 2HB HIS 68 -3.228 18.228 5.909 498 HB3 HIS 68 3HB HIS 68 -3.333 19.833 6.624 499 HD1 HIS 68 HD1 HIS 68 -4.734 21.571 5.422 500 HD2 HIS 68 HD2 HIS 68 -4.414 18.004 3.320 501 HE1 HIS 68 HE1 HIS 68 -6.411 21.735 3.568 502 HE2 HIS 68 HE2 HIS 68 -6.089 19.641 2.222 503 H HIS 69 H HIS 69 -0.435 17.589 6.218 504 HA HIS 69 HA HIS 69 0.178 18.524 8.779 505 HB2 HIS 69 2HB HIS 69 1.618 16.363 7.222 506 HB3 HIS 69 3HB HIS 69 1.623 16.574 8.971 507 HD1 HIS 69 HD1 HIS 69 0.057 14.603 6.478 508 HD2 HIS 69 HD2 HIS 69 -1.248 16.416 9.980 509 HE1 HIS 69 HE1 HIS 69 -2.074 13.429 7.086 510 HE2 HIS 69 HE2 HIS 69 -2.718 14.396 9.317 511 H HIS 70 H HIS 70 1.169 20.506 8.761 512 HA HIS 70 HA HIS 70 3.461 21.124 7.182 513 HB2 HIS 70 2HB HIS 70 3.604 23.135 8.794 514 HB3 HIS 70 3HB HIS 70 2.187 22.993 7.762 515 HD1 HIS 70 HD1 HIS 70 3.202 22.204 11.344 516 HD2 HIS 70 HD2 HIS 70 -0.170 23.131 9.100 517 HE1 HIS 70 HE1 HIS 70 1.328 22.426 13.000 518 HE2 HIS 70 HE2 HIS 70 -0.725 22.807 11.601 519 H HIS 71 H HIS 71 4.962 19.505 7.566 520 HA HIS 71 HA HIS 71 6.698 20.005 9.864 521 HB2 HIS 71 2HB HIS 71 5.647 17.257 9.132 522 HB3 HIS 71 3HB HIS 71 7.031 17.518 10.182 523 HD1 HIS 71 HD1 HIS 71 3.708 16.605 10.502 524 HD2 HIS 71 HD2 HIS 71 6.024 19.496 12.389 525 HE1 HIS 71 HE1 HIS 71 2.541 17.095 12.671 526 HE2 HIS 71 HE2 HIS 71 4.095 18.654 13.888 527 H HIS 72 H HIS 72 8.791 18.585 9.541 528 HA HIS 72 HA HIS 72 9.405 18.295 6.666 529 HB2 HIS 72 2HB HIS 72 11.209 19.387 8.837 530 HB3 HIS 72 3HB HIS 72 11.767 18.948 7.225 531 HD1 HIS 72 HD1 HIS 72 11.508 21.878 8.743 532 HD2 HIS 72 HD2 HIS 72 9.387 20.416 5.491 533 HE1 HIS 72 HE1 HIS 72 10.696 23.905 7.511 534 HE2 HIS 72 HE2 HIS 72 9.598 22.989 5.441 535 H HIS 73 H HIS 73 10.312 16.419 6.048 536 HA HIS 73 HA HIS 73 10.230 14.147 7.633 537 HB2 HIS 73 2HB HIS 73 11.477 13.005 5.837 538 HB3 HIS 73 3HB HIS 73 10.182 14.014 5.211 539 HD1 HIS 73 HD1 HIS 73 13.915 13.730 5.319 540 HD2 HIS 73 HD2 HIS 73 11.013 16.160 3.602 541 HE1 HIS 73 HE1 HIS 73 15.123 15.122 3.624 542 HE2 HIS 73 HE2 HIS 73 13.370 16.621 2.633 Start of MODEL 11 1 H1 MET 1 1H MET 1 -16.832 10.075 2.070 2 H2 MET 1 2H MET 1 -17.730 10.596 0.740 3 H3 MET 1 3H MET 1 -17.507 11.627 2.058 4 HA MET 1 HA MET 1 -16.068 12.356 0.337 5 HB2 MET 1 2HB MET 1 -14.506 10.798 2.416 6 HB3 MET 1 3HB MET 1 -13.870 12.107 1.432 7 HG2 MET 1 2HG MET 1 -15.371 13.681 2.495 8 HG3 MET 1 3HG MET 1 -16.108 12.380 3.431 9 HE1 MET 1 3HE MET 1 -12.260 12.777 2.591 10 HE2 MET 1 1HE MET 1 -11.723 13.742 3.965 11 HE3 MET 1 2HE MET 1 -12.825 14.437 2.774 12 H THR 2 H THR 2 -14.385 11.949 -1.212 13 HA THR 2 HA THR 2 -14.094 9.103 -1.968 14 HB THR 2 HB THR 2 -15.318 10.162 -3.721 15 HG1 THR 2 HG1 THR 2 -14.078 9.238 -5.154 16 HG21 THR 2 3HG2 THR 2 -14.808 12.506 -3.201 17 HG22 THR 2 1HG2 THR 2 -14.538 12.158 -4.909 18 HG23 THR 2 2HG2 THR 2 -13.165 12.289 -3.809 19 H GLN 3 H GLN 3 -12.155 8.389 -1.374 20 HA GLN 3 HA GLN 3 -9.858 10.185 -1.292 21 HB2 GLN 3 2HB GLN 3 -10.128 7.278 -0.493 22 HB3 GLN 3 3HB GLN 3 -8.692 8.262 -0.250 23 HG2 GLN 3 2HG GLN 3 -9.938 9.733 1.243 24 HG3 GLN 3 3HG GLN 3 -11.396 8.776 0.985 25 HE21 GLN 3 1HE2 GLN 3 -9.911 6.239 1.004 26 HE22 GLN 3 2HE2 GLN 3 -9.514 5.951 2.659 27 H LYS 4 H LYS 4 -7.745 9.396 -2.152 28 HA LYS 4 HA LYS 4 -8.039 8.558 -4.915 29 HB2 LYS 4 2HB LYS 4 -5.582 9.320 -3.311 30 HB3 LYS 4 3HB LYS 4 -5.587 8.984 -5.038 31 HG2 LYS 4 2HG LYS 4 -7.162 11.193 -3.716 32 HG3 LYS 4 3HG LYS 4 -5.591 11.401 -4.493 33 HD2 LYS 4 2HD LYS 4 -8.072 10.371 -5.883 34 HD3 LYS 4 3HD LYS 4 -7.509 12.042 -5.946 35 HE2 LYS 4 2HE LYS 4 -5.418 11.295 -6.984 36 HE3 LYS 4 3HE LYS 4 -5.971 9.622 -6.910 37 HZ1 LYS 4 3HZ LYS 4 -7.780 10.179 -8.392 38 HZ2 LYS 4 1HZ LYS 4 -6.303 10.596 -9.099 39 HZ3 LYS 4 2HZ LYS 4 -7.291 11.798 -8.440 40 H PHE 5 H PHE 5 -6.385 7.353 -2.009 41 HA PHE 5 HA PHE 5 -5.824 4.811 -3.363 42 HB2 PHE 5 2HB PHE 5 -4.854 5.860 -0.690 43 HB3 PHE 5 3HB PHE 5 -4.350 4.348 -1.438 44 HD1 PHE 5 HD1 PHE 5 -2.880 4.341 -3.380 45 HD2 PHE 5 HD2 PHE 5 -4.034 7.990 -1.505 46 HE1 PHE 5 HE1 PHE 5 -1.091 5.524 -4.581 47 HE2 PHE 5 HE2 PHE 5 -2.242 9.176 -2.705 48 HZ PHE 5 HZ PHE 5 -0.770 7.941 -4.247 49 H THR 6 H THR 6 -7.088 3.109 -3.053 50 HA THR 6 HA THR 6 -8.874 3.032 -0.692 51 HB THR 6 HB THR 6 -10.235 3.141 -2.648 52 HG1 THR 6 HG1 THR 6 -11.415 1.629 -1.775 53 HG21 THR 6 3HG2 THR 6 -8.560 2.491 -4.323 54 HG22 THR 6 1HG2 THR 6 -10.051 1.568 -4.517 55 HG23 THR 6 2HG2 THR 6 -8.645 0.823 -3.760 56 H LYS 7 H LYS 7 -9.586 0.714 -0.163 57 HA LYS 7 HA LYS 7 -7.181 -0.790 0.433 58 HB2 LYS 7 2HB LYS 7 -8.657 -2.156 1.844 59 HB3 LYS 7 3HB LYS 7 -8.839 -0.441 2.181 60 HG2 LYS 7 2HG LYS 7 -10.877 -0.439 0.731 61 HG3 LYS 7 3HG LYS 7 -10.719 -2.192 0.601 62 HD2 LYS 7 2HD LYS 7 -12.340 -1.564 2.337 63 HD3 LYS 7 3HD LYS 7 -10.952 -2.410 3.026 64 HE2 LYS 7 2HE LYS 7 -9.979 -0.277 3.711 65 HE3 LYS 7 3HE LYS 7 -11.334 0.584 2.983 66 HZ1 LYS 7 3HZ LYS 7 -12.814 -0.352 4.576 67 HZ2 LYS 7 1HZ LYS 7 -11.501 0.298 5.417 68 HZ3 LYS 7 2HZ LYS 7 -11.616 -1.373 5.196 69 H ASP 8 H ASP 8 -9.473 -0.828 -2.038 70 HA ASP 8 HA ASP 8 -9.344 -3.707 -2.522 71 HB2 ASP 8 2HB ASP 8 -11.492 -2.564 -2.777 72 HB3 ASP 8 3HB ASP 8 -10.799 -1.491 -3.987 73 H MET 9 H MET 9 -7.863 -0.786 -3.698 74 HA MET 9 HA MET 9 -7.047 -1.759 -6.251 75 HB2 MET 9 2HB MET 9 -5.628 0.211 -6.361 76 HB3 MET 9 3HB MET 9 -7.208 0.646 -5.726 77 HG2 MET 9 2HG MET 9 -6.201 0.504 -3.424 78 HG3 MET 9 3HG MET 9 -4.628 0.362 -4.204 79 HE1 MET 9 3HE MET 9 -5.088 2.313 -6.760 80 HE2 MET 9 1HE MET 9 -3.608 2.267 -5.801 81 HE3 MET 9 2HE MET 9 -4.407 3.806 -6.112 82 H THR 10 H THR 10 -4.951 -2.397 -6.946 83 HA THR 10 HA THR 10 -3.609 -4.135 -5.079 84 HB THR 10 HB THR 10 -2.226 -4.842 -6.940 85 HG1 THR 10 HG1 THR 10 -2.350 -3.773 -8.950 86 HG21 THR 10 3HG2 THR 10 -3.948 -5.600 -8.508 87 HG22 THR 10 1HG2 THR 10 -5.079 -4.414 -7.856 88 HG23 THR 10 2HG2 THR 10 -4.512 -5.744 -6.844 89 H PHE 11 H PHE 11 -1.305 -4.127 -4.652 90 HA PHE 11 HA PHE 11 -0.184 -1.703 -3.857 91 HB2 PHE 11 2HB PHE 11 1.158 -4.323 -4.564 92 HB3 PHE 11 3HB PHE 11 2.023 -2.958 -3.868 93 HD1 PHE 11 HD1 PHE 11 1.475 -2.185 -1.568 94 HD2 PHE 11 HD2 PHE 11 -0.195 -5.749 -3.204 95 HE1 PHE 11 HE1 PHE 11 0.872 -2.941 0.696 96 HE2 PHE 11 HE2 PHE 11 -0.797 -6.505 -0.945 97 HZ PHE 11 HZ PHE 11 -0.264 -5.103 1.009 98 H ALA 12 H ALA 12 0.190 -3.455 -6.910 99 HA ALA 12 HA ALA 12 2.150 -1.928 -8.142 100 HB1 ALA 12 3HB ALA 12 1.260 -4.015 -9.069 101 HB2 ALA 12 1HB ALA 12 1.228 -2.714 -10.260 102 HB3 ALA 12 2HB ALA 12 -0.259 -3.200 -9.444 103 H GLN 13 H GLN 13 -1.382 -1.394 -8.184 104 HA GLN 13 HA GLN 13 -1.431 0.901 -9.782 105 HB2 GLN 13 2HB GLN 13 -3.250 0.162 -7.476 106 HB3 GLN 13 3HB GLN 13 -3.595 1.409 -8.669 107 HG2 GLN 13 2HG GLN 13 -3.630 -0.278 -10.433 108 HG3 GLN 13 3HG GLN 13 -3.256 -1.532 -9.253 109 HE21 GLN 13 1HE2 GLN 13 -5.447 1.148 -8.675 110 HE22 GLN 13 2HE2 GLN 13 -6.881 0.192 -8.574 111 H ALA 14 H ALA 14 -1.368 0.684 -6.219 112 HA ALA 14 HA ALA 14 -1.342 3.401 -5.634 113 HB1 ALA 14 3HB ALA 14 -0.457 2.780 -3.450 114 HB2 ALA 14 1HB ALA 14 -0.014 1.188 -4.068 115 HB3 ALA 14 2HB ALA 14 -1.713 1.652 -3.961 116 H LEU 15 H LEU 15 1.462 1.233 -6.045 117 HA LEU 15 HA LEU 15 3.478 3.119 -5.552 118 HB2 LEU 15 2HB LEU 15 3.511 0.654 -7.303 119 HB3 LEU 15 3HB LEU 15 4.946 1.563 -6.862 120 HG LEU 15 HG LEU 15 3.122 0.137 -4.914 121 HD11 LEU 15 1HD1 LEU 15 4.380 -1.438 -6.273 122 HD12 LEU 15 2HD1 LEU 15 4.998 -1.415 -4.622 123 HD13 LEU 15 3HD1 LEU 15 5.882 -0.586 -5.906 124 HD21 LEU 15 3HD2 LEU 15 4.140 2.103 -3.911 125 HD22 LEU 15 1HD2 LEU 15 5.733 1.594 -4.475 126 HD23 LEU 15 2HD2 LEU 15 4.877 0.638 -3.265 127 H GLN 16 H GLN 16 1.637 2.493 -8.477 128 HA GLN 16 HA GLN 16 3.350 4.202 -10.101 129 HB2 GLN 16 2HB GLN 16 0.770 2.768 -10.766 130 HB3 GLN 16 3HB GLN 16 1.736 3.679 -11.918 131 HG2 GLN 16 2HG GLN 16 2.607 1.204 -10.428 132 HG3 GLN 16 3HG GLN 16 2.157 1.300 -12.130 133 HE21 GLN 16 1HE2 GLN 16 4.611 2.004 -9.777 134 HE22 GLN 16 2HE2 GLN 16 5.858 2.403 -10.901 135 H THR 17 H THR 17 0.514 4.549 -8.171 136 HA THR 17 HA THR 17 -0.599 6.832 -9.508 137 HB THR 17 HB THR 17 -0.996 5.969 -6.625 138 HG1 THR 17 HG1 THR 17 -1.568 4.474 -8.497 139 HG21 THR 17 3HG2 THR 17 -1.773 8.240 -6.954 140 HG22 THR 17 1HG2 THR 17 -3.168 7.170 -6.847 141 HG23 THR 17 2HG2 THR 17 -2.637 7.775 -8.417 142 H HIS 18 H HIS 18 1.101 6.581 -6.356 143 HA HIS 18 HA HIS 18 2.413 9.157 -6.950 144 HB2 HIS 18 2HB HIS 18 0.968 8.360 -4.440 145 HB3 HIS 18 3HB HIS 18 2.342 9.453 -4.334 146 HD1 HIS 18 HD1 HIS 18 1.349 11.697 -3.946 147 HD2 HIS 18 HD2 HIS 18 -0.668 9.616 -6.920 148 HE1 HIS 18 HE1 HIS 18 -0.383 13.286 -4.825 149 HE2 HIS 18 HE2 HIS 18 -1.659 11.969 -6.542 150 HA PRO 19 HA PRO 19 6.097 6.653 -6.469 151 HB2 PRO 19 2HB PRO 19 7.318 9.322 -5.897 152 HB3 PRO 19 3HB PRO 19 7.821 8.077 -7.047 153 HG2 PRO 19 2HG PRO 19 6.590 10.276 -7.897 154 HG3 PRO 19 3HG PRO 19 6.227 8.698 -8.621 155 HD2 PRO 19 2HD PRO 19 4.627 10.301 -6.663 156 HD3 PRO 19 3HD PRO 19 4.075 9.299 -8.021 157 H GLY 20 H GLY 20 5.143 9.096 -4.097 158 HA2 GLY 20 2HA GLY 20 6.953 8.435 -2.041 159 HA3 GLY 20 3HA GLY 20 5.409 9.236 -1.821 160 H VAL 21 H VAL 21 4.038 6.822 -3.059 161 HA VAL 21 HA VAL 21 3.232 5.522 -0.745 162 HB VAL 21 HB VAL 21 3.208 4.448 -3.577 163 HG11 VAL 21 1HG1 VAL 21 2.944 2.623 -1.971 164 HG12 VAL 21 2HG1 VAL 21 1.433 2.932 -2.824 165 HG13 VAL 21 3HG1 VAL 21 1.643 3.503 -1.169 166 HG21 VAL 21 3HG2 VAL 21 1.081 5.888 -1.979 167 HG22 VAL 21 1HG2 VAL 21 0.871 5.218 -3.596 168 HG23 VAL 21 2HG2 VAL 21 1.992 6.552 -3.334 169 H ALA 22 H ALA 22 5.895 4.696 -2.921 170 HA ALA 22 HA ALA 22 6.547 2.169 -1.920 171 HB1 ALA 22 3HB ALA 22 8.775 2.545 -2.841 172 HB2 ALA 22 1HB ALA 22 8.434 4.272 -2.982 173 HB3 ALA 22 2HB ALA 22 7.530 3.112 -3.955 174 H GLY 23 H GLY 23 7.695 5.383 -0.866 175 HA2 GLY 23 2HA GLY 23 9.378 4.501 1.220 176 HA3 GLY 23 3HA GLY 23 8.641 6.092 1.106 177 H VAL 24 H VAL 24 5.960 5.492 1.273 178 HA VAL 24 HA VAL 24 5.477 5.213 4.011 179 HB VAL 24 HB VAL 24 3.535 4.643 1.755 180 HG11 VAL 24 1HG1 VAL 24 2.730 3.811 3.902 181 HG12 VAL 24 2HG1 VAL 24 1.791 5.209 3.381 182 HG13 VAL 24 3HG1 VAL 24 3.016 5.389 4.637 183 HG21 VAL 24 3HG2 VAL 24 4.128 7.236 3.198 184 HG22 VAL 24 1HG2 VAL 24 2.844 6.991 2.013 185 HG23 VAL 24 2HG2 VAL 24 4.532 6.858 1.522 186 H LEU 25 H LEU 25 4.927 2.787 1.431 187 HA LEU 25 HA LEU 25 4.078 0.694 3.058 188 HB2 LEU 25 2HB LEU 25 5.615 0.562 0.460 189 HB3 LEU 25 3HB LEU 25 4.819 -0.809 1.213 190 HG LEU 25 HG LEU 25 3.459 1.672 0.134 191 HD11 LEU 25 1HD1 LEU 25 3.410 -1.184 -0.837 192 HD12 LEU 25 2HD1 LEU 25 4.272 0.152 -1.600 193 HD13 LEU 25 3HD1 LEU 25 2.511 0.168 -1.525 194 HD21 LEU 25 3HD2 LEU 25 2.262 -0.778 1.438 195 HD22 LEU 25 1HD2 LEU 25 1.356 0.513 0.645 196 HD23 LEU 25 2HD2 LEU 25 2.282 0.857 2.104 197 H ARG 26 H ARG 26 7.417 1.491 2.049 198 HA ARG 26 HA ARG 26 8.658 -0.684 3.360 199 HB2 ARG 26 2HB ARG 26 9.814 2.050 2.761 200 HB3 ARG 26 3HB ARG 26 10.744 0.625 3.208 201 HG2 ARG 26 2HG ARG 26 9.925 -0.504 1.158 202 HG3 ARG 26 3HG ARG 26 9.107 0.989 0.701 203 HD2 ARG 26 2HD ARG 26 11.160 0.977 -0.482 204 HD3 ARG 26 3HD ARG 26 11.372 2.125 0.840 205 HE ARG 26 HE ARG 26 12.433 -0.632 0.853 206 HH11 ARG 26 1HH1 ARG 26 12.692 2.693 1.748 207 HH12 ARG 26 2HH1 ARG 26 14.256 2.492 2.450 208 HH21 ARG 26 1HH2 ARG 26 14.446 -0.864 1.739 209 HH22 ARG 26 2HH2 ARG 26 15.241 0.506 2.441 210 H SER 27 H SER 27 7.588 2.449 4.542 211 HA SER 27 HA SER 27 8.931 2.358 7.058 212 HB2 SER 27 2HB SER 27 8.067 4.471 6.161 213 HB3 SER 27 3HB SER 27 6.415 3.862 6.268 214 HG SER 27 HG SER 27 6.839 5.113 8.076 215 H TYR 28 H TYR 28 5.679 1.373 6.021 216 HA TYR 28 HA TYR 28 4.942 0.444 8.667 217 HB2 TYR 28 2HB TYR 28 3.564 0.345 5.977 218 HB3 TYR 28 3HB TYR 28 2.884 -0.412 7.415 219 HD1 TYR 28 HD2 TYR 28 4.296 2.908 6.370 220 HD2 TYR 28 HD1 TYR 28 1.353 0.823 8.633 221 HE1 TYR 28 HE2 TYR 28 3.280 5.052 7.015 222 HE2 TYR 28 HE1 TYR 28 0.335 2.961 9.283 223 HH TYR 28 HH TYR 28 0.787 5.239 9.442 224 H ASN 29 H ASN 29 6.974 -0.820 6.470 225 HA ASN 29 HA ASN 29 7.934 -2.836 6.145 226 HB2 ASN 29 2HB ASN 29 7.777 -3.141 8.578 227 HB3 ASN 29 3HB ASN 29 6.154 -3.797 8.400 228 HD21 ASN 29 1HD2 ASN 29 6.789 -5.731 9.372 229 HD22 ASN 29 2HD2 ASN 29 7.758 -6.896 8.541 230 H LEU 30 H LEU 30 6.393 -2.317 4.226 231 HA LEU 30 HA LEU 30 5.065 -4.870 3.573 232 HB2 LEU 30 2HB LEU 30 4.140 -2.079 2.863 233 HB3 LEU 30 3HB LEU 30 3.547 -3.517 2.054 234 HG LEU 30 HG LEU 30 3.223 -2.923 5.005 235 HD11 LEU 30 1HD1 LEU 30 1.884 -1.433 3.593 236 HD12 LEU 30 2HD1 LEU 30 0.869 -2.575 4.473 237 HD13 LEU 30 3HD1 LEU 30 1.202 -2.831 2.759 238 HD21 LEU 30 3HD2 LEU 30 1.701 -4.857 4.976 239 HD22 LEU 30 1HD2 LEU 30 3.354 -5.314 4.566 240 HD23 LEU 30 2HD2 LEU 30 2.138 -5.169 3.296 241 H GLY 31 H GLY 31 7.721 -3.152 3.010 242 HA2 GLY 31 2HA GLY 31 7.799 -2.722 0.209 243 HA3 GLY 31 3HA GLY 31 9.195 -2.862 1.265 244 H CYS 32 H CYS 32 8.030 -5.612 2.035 245 HA CYS 32 HA CYS 32 9.621 -7.193 0.317 246 HB2 CYS 32 2HB CYS 32 7.399 -8.101 2.164 247 HB3 CYS 32 3HB CYS 32 8.690 -9.107 1.516 248 HG CYS 32 HG CYS 32 10.661 -8.229 3.077 249 H ILE 33 H ILE 33 6.560 -5.882 -0.244 250 HA ILE 33 HA ILE 33 5.085 -7.868 -1.470 251 HB ILE 33 HB ILE 33 4.086 -6.033 -2.899 252 HG12 ILE 33 2HG1 ILE 33 6.012 -4.314 -1.299 253 HG13 ILE 33 3HG1 ILE 33 6.083 -4.590 -3.037 254 HG21 ILE 33 1HG2 ILE 33 4.229 -5.609 0.090 255 HG22 ILE 33 2HG2 ILE 33 3.119 -6.678 -0.765 256 HG23 ILE 33 3HG2 ILE 33 2.999 -4.932 -0.979 257 HD11 ILE 33 3HD1 ILE 33 3.937 -3.454 -3.299 258 HD12 ILE 33 1HD1 ILE 33 5.138 -2.422 -2.522 259 HD13 ILE 33 2HD1 ILE 33 3.872 -3.181 -1.558 260 H GLY 34 H GLY 34 7.574 -5.816 -3.045 261 HA2 GLY 34 2HA GLY 34 7.302 -6.870 -5.638 262 HA3 GLY 34 3HA GLY 34 8.769 -6.159 -4.984 263 H CYS 35 H CYS 35 9.429 -7.913 -2.990 264 HA CYS 35 HA CYS 35 10.770 -9.953 -4.379 265 HB2 CYS 35 2HB CYS 35 10.209 -9.797 -1.409 266 HB3 CYS 35 3HB CYS 35 11.473 -10.751 -2.180 267 HG CYS 35 HG CYS 35 12.229 -7.954 -3.319 268 H MET 36 H MET 36 7.825 -10.085 -2.388 269 HA MET 36 HA MET 36 7.552 -12.947 -2.840 270 HB2 MET 36 2HB MET 36 5.577 -12.794 -1.396 271 HB3 MET 36 3HB MET 36 6.985 -12.056 -0.644 272 HG2 MET 36 2HG MET 36 6.146 -9.838 -1.299 273 HG3 MET 36 3HG MET 36 4.718 -10.599 -1.996 274 HE1 MET 36 3HE MET 36 4.076 -12.907 0.077 275 HE2 MET 36 1HE MET 36 2.847 -11.826 -0.576 276 HE3 MET 36 2HE MET 36 2.952 -12.088 1.163 277 H GLY 37 H GLY 37 6.902 -10.376 -4.759 278 HA2 GLY 37 2HA GLY 37 5.707 -10.188 -6.716 279 HA3 GLY 37 3HA GLY 37 5.271 -11.879 -6.540 280 H ALA 38 H ALA 38 4.494 -9.474 -4.112 281 HA ALA 38 HA ALA 38 1.676 -10.131 -4.362 282 HB1 ALA 38 3HB ALA 38 2.729 -10.074 -2.160 283 HB2 ALA 38 1HB ALA 38 1.415 -8.903 -2.270 284 HB3 ALA 38 2HB ALA 38 3.091 -8.361 -2.369 285 H GLN 39 H GLN 39 3.276 -8.194 -6.257 286 HA GLN 39 HA GLN 39 2.192 -5.615 -6.031 287 HB2 GLN 39 2HB GLN 39 2.985 -7.142 -8.521 288 HB3 GLN 39 3HB GLN 39 2.657 -5.416 -8.473 289 HG2 GLN 39 2HG GLN 39 4.850 -6.822 -6.959 290 HG3 GLN 39 3HG GLN 39 5.053 -5.918 -8.458 291 HE21 GLN 39 1HE2 GLN 39 4.478 -5.698 -5.046 292 HE22 GLN 39 2HE2 GLN 39 4.751 -4.002 -4.912 293 H ASN 40 H ASN 40 0.873 -8.540 -7.439 294 HA ASN 40 HA ASN 40 -1.388 -7.249 -8.679 295 HB2 ASN 40 2HB ASN 40 -0.771 -10.178 -8.200 296 HB3 ASN 40 3HB ASN 40 -2.083 -9.571 -9.206 297 HD21 ASN 40 1HD2 ASN 40 0.351 -11.196 -9.823 298 HD22 ASN 40 2HD2 ASN 40 1.119 -10.352 -11.119 299 H GLU 41 H GLU 41 -0.705 -7.974 -5.516 300 HA GLU 41 HA GLU 41 -3.394 -8.799 -4.727 301 HB2 GLU 41 2HB GLU 41 -1.452 -9.909 -3.728 302 HB3 GLU 41 3HB GLU 41 -0.862 -8.370 -3.125 303 HG2 GLU 41 2HG GLU 41 -2.639 -8.201 -1.558 304 HG3 GLU 41 3HG GLU 41 -3.504 -9.550 -2.296 305 H SER 42 H SER 42 -4.704 -7.576 -3.271 306 HA SER 42 HA SER 42 -4.544 -4.736 -3.715 307 HB2 SER 42 2HB SER 42 -6.694 -4.602 -2.588 308 HB3 SER 42 3HB SER 42 -6.709 -5.940 -3.733 309 HG SER 42 HG SER 42 -7.589 -6.695 -1.854 310 H LEU 43 H LEU 43 -4.606 -3.101 -2.073 311 HA LEU 43 HA LEU 43 -2.547 -3.237 -0.235 312 HB2 LEU 43 2HB LEU 43 -4.971 -1.436 -0.193 313 HB3 LEU 43 3HB LEU 43 -3.538 -1.191 0.789 314 HG LEU 43 HG LEU 43 -3.658 -1.094 -2.235 315 HD11 LEU 43 1HD1 LEU 43 -3.209 1.095 -0.204 316 HD12 LEU 43 2HD1 LEU 43 -4.667 0.855 -1.166 317 HD13 LEU 43 3HD1 LEU 43 -3.149 1.279 -1.958 318 HD21 LEU 43 3HD2 LEU 43 -1.315 -0.353 -2.102 319 HD22 LEU 43 1HD2 LEU 43 -1.523 -2.000 -1.508 320 HD23 LEU 43 2HD2 LEU 43 -1.320 -0.671 -0.367 321 H GLU 44 H GLU 44 -6.026 -3.763 0.392 322 HA GLU 44 HA GLU 44 -5.712 -4.037 3.208 323 HB2 GLU 44 2HB GLU 44 -7.872 -3.446 2.337 324 HB3 GLU 44 3HB GLU 44 -7.939 -4.912 1.363 325 HG2 GLU 44 2HG GLU 44 -8.153 -6.282 3.307 326 HG3 GLU 44 3HG GLU 44 -7.835 -4.916 4.375 327 H GLN 45 H GLN 45 -6.094 -6.489 0.625 328 HA GLN 45 HA GLN 45 -5.977 -8.732 2.333 329 HB2 GLN 45 2HB GLN 45 -5.209 -8.497 -0.587 330 HB3 GLN 45 3HB GLN 45 -5.411 -10.017 0.277 331 HG2 GLN 45 2HG GLN 45 -7.769 -9.458 0.689 332 HG3 GLN 45 3HG GLN 45 -7.558 -7.949 -0.197 333 HE21 GLN 45 1HE2 GLN 45 -9.104 -8.500 -1.735 334 HE22 GLN 45 2HE2 GLN 45 -8.820 -9.711 -2.932 335 H GLY 46 H GLY 46 -3.432 -6.946 0.630 336 HA2 GLY 46 2HA GLY 46 -1.270 -8.580 1.467 337 HA3 GLY 46 3HA GLY 46 -1.151 -6.917 0.918 338 H ALA 47 H ALA 47 -2.660 -5.613 2.862 339 HA ALA 47 HA ALA 47 -0.881 -5.220 4.956 340 HB1 ALA 47 3HB ALA 47 -2.667 -3.636 4.339 341 HB2 ALA 47 1HB ALA 47 -2.656 -3.985 6.069 342 HB3 ALA 47 2HB ALA 47 -3.865 -4.736 5.025 343 H ASN 48 H ASN 48 -4.001 -6.972 5.156 344 HA ASN 48 HA ASN 48 -3.587 -8.013 7.735 345 HB2 ASN 48 2HB ASN 48 -5.322 -9.008 5.469 346 HB3 ASN 48 3HB ASN 48 -5.346 -9.705 7.087 347 HD21 ASN 48 1HD2 ASN 48 -6.279 -7.034 5.123 348 HD22 ASN 48 2HD2 ASN 48 -7.238 -6.236 6.316 349 H ALA 49 H ALA 49 -2.677 -9.292 4.563 350 HA ALA 49 HA ALA 49 -1.836 -11.849 5.318 351 HB1 ALA 49 3HB ALA 49 -0.430 -11.822 3.323 352 HB2 ALA 49 1HB ALA 49 -0.615 -10.071 3.200 353 HB3 ALA 49 2HB ALA 49 -2.013 -11.124 2.982 354 H HIS 50 H HIS 50 -0.312 -8.747 5.837 355 HA HIS 50 HA HIS 50 2.064 -10.070 6.985 356 HB2 HIS 50 2HB HIS 50 1.608 -7.183 6.189 357 HB3 HIS 50 3HB HIS 50 3.077 -7.782 6.953 358 HD1 HIS 50 HD1 HIS 50 4.876 -8.161 5.303 359 HD2 HIS 50 HD2 HIS 50 1.130 -8.867 3.655 360 HE1 HIS 50 HE1 HIS 50 5.297 -8.753 2.902 361 HE2 HIS 50 HE2 HIS 50 3.008 -9.048 1.895 362 H GLY 51 H GLY 51 -0.878 -8.788 7.947 363 HA2 GLY 51 2HA GLY 51 -1.666 -8.800 10.163 364 HA3 GLY 51 3HA GLY 51 -0.010 -8.735 10.738 365 H LEU 52 H LEU 52 -1.528 -6.527 8.415 366 HA LEU 52 HA LEU 52 -1.239 -4.332 10.376 367 HB2 LEU 52 2HB LEU 52 -0.764 -4.185 7.390 368 HB3 LEU 52 3HB LEU 52 -0.631 -2.848 8.515 369 HG LEU 52 HG LEU 52 1.159 -5.285 8.444 370 HD11 LEU 52 1HD1 LEU 52 2.879 -3.742 7.698 371 HD12 LEU 52 2HD1 LEU 52 1.729 -2.406 7.742 372 HD13 LEU 52 3HD1 LEU 52 1.510 -3.719 6.584 373 HD21 LEU 52 3HD2 LEU 52 1.269 -2.840 10.214 374 HD22 LEU 52 1HD2 LEU 52 2.488 -4.112 10.138 375 HD23 LEU 52 2HD2 LEU 52 0.868 -4.479 10.728 376 H ASN 53 H ASN 53 -2.787 -2.648 10.292 377 HA ASN 53 HA ASN 53 -5.304 -3.330 8.995 378 HB2 ASN 53 2HB ASN 53 -5.441 -2.554 11.283 379 HB3 ASN 53 3HB ASN 53 -4.564 -1.081 10.879 380 HD21 ASN 53 1HD2 ASN 53 -6.277 0.177 11.645 381 HD22 ASN 53 2HD2 ASN 53 -7.745 0.362 10.757 382 H VAL 54 H VAL 54 -5.802 -2.633 7.026 383 HA VAL 54 HA VAL 54 -4.149 -0.963 5.496 384 HB VAL 54 HB VAL 54 -5.652 -2.677 4.534 385 HG11 VAL 54 1HG1 VAL 54 -7.634 -2.302 5.889 386 HG12 VAL 54 2HG1 VAL 54 -8.031 -2.164 4.176 387 HG13 VAL 54 3HG1 VAL 54 -7.858 -0.711 5.161 388 HG21 VAL 54 3HG2 VAL 54 -4.707 -0.911 3.112 389 HG22 VAL 54 1HG2 VAL 54 -6.125 0.091 3.421 390 HG23 VAL 54 2HG2 VAL 54 -6.293 -1.429 2.541 391 H GLU 55 H GLU 55 -7.010 -0.205 7.413 392 HA GLU 55 HA GLU 55 -7.722 2.282 6.394 393 HB2 GLU 55 2HB GLU 55 -7.762 1.376 9.285 394 HB3 GLU 55 3HB GLU 55 -8.659 2.744 8.640 395 HG2 GLU 55 2HG GLU 55 -9.033 -0.099 7.707 396 HG3 GLU 55 3HG GLU 55 -9.989 0.652 8.983 397 H ASP 56 H ASP 56 -5.355 1.537 8.936 398 HA ASP 56 HA ASP 56 -4.586 4.177 9.524 399 HB2 ASP 56 2HB ASP 56 -4.135 2.206 10.968 400 HB3 ASP 56 3HB ASP 56 -2.956 1.635 9.792 401 H ILE 57 H ILE 57 -3.308 1.819 7.222 402 HA ILE 57 HA ILE 57 -1.060 3.323 6.370 403 HB ILE 57 HB ILE 57 -2.576 1.223 4.798 404 HG12 ILE 57 2HG1 ILE 57 -0.236 0.861 6.695 405 HG13 ILE 57 3HG1 ILE 57 -1.905 0.432 7.061 406 HG21 ILE 57 1HG2 ILE 57 -0.995 2.525 3.447 407 HG22 ILE 57 2HG2 ILE 57 -0.455 0.859 3.638 408 HG23 ILE 57 3HG2 ILE 57 0.299 2.141 4.586 409 HD11 ILE 57 3HD1 ILE 57 -1.883 -1.220 5.280 410 HD12 ILE 57 1HD1 ILE 57 -0.582 -1.512 6.434 411 HD13 ILE 57 2HD1 ILE 57 -0.225 -0.776 4.871 412 H LEU 58 H LEU 58 -4.330 2.951 4.973 413 HA LEU 58 HA LEU 58 -4.020 4.515 2.692 414 HB2 LEU 58 2HB LEU 58 -6.476 4.150 4.412 415 HB3 LEU 58 3HB LEU 58 -6.488 4.881 2.817 416 HG LEU 58 HG LEU 58 -5.717 2.022 3.437 417 HD11 LEU 58 1HD1 LEU 58 -8.168 3.170 2.100 418 HD12 LEU 58 2HD1 LEU 58 -8.104 2.391 3.681 419 HD13 LEU 58 3HD1 LEU 58 -7.777 1.454 2.224 420 HD21 LEU 58 3HD2 LEU 58 -5.656 1.718 1.011 421 HD22 LEU 58 1HD2 LEU 58 -4.454 2.893 1.538 422 HD23 LEU 58 2HD2 LEU 58 -5.951 3.442 0.781 423 H ARG 59 H ARG 59 -4.638 5.512 6.005 424 HA ARG 59 HA ARG 59 -5.343 8.184 5.605 425 HB2 ARG 59 2HB ARG 59 -5.532 7.151 7.784 426 HB3 ARG 59 3HB ARG 59 -3.795 6.891 7.866 427 HG2 ARG 59 2HG ARG 59 -3.376 9.227 8.103 428 HG3 ARG 59 3HG ARG 59 -5.055 9.625 7.732 429 HD2 ARG 59 2HD ARG 59 -4.574 9.796 10.136 430 HD3 ARG 59 3HD ARG 59 -5.793 8.572 9.789 431 HE ARG 59 HE ARG 59 -3.386 7.231 9.880 432 HH11 ARG 59 1HH1 ARG 59 -5.259 9.165 12.038 433 HH12 ARG 59 2HH1 ARG 59 -4.689 8.332 13.442 434 HH21 ARG 59 1HH2 ARG 59 -2.679 6.167 11.712 435 HH22 ARG 59 2HH2 ARG 59 -3.264 6.669 13.260 436 H ASP 60 H ASP 60 -2.069 6.794 6.050 437 HA ASP 60 HA ASP 60 -0.761 9.314 5.673 438 HB2 ASP 60 2HB ASP 60 0.135 7.296 6.964 439 HB3 ASP 60 3HB ASP 60 0.529 6.591 5.398 440 H LEU 61 H LEU 61 -1.609 6.626 3.567 441 HA LEU 61 HA LEU 61 -0.080 7.335 1.312 442 HB2 LEU 61 2HB LEU 61 -2.702 5.851 1.524 443 HB3 LEU 61 3HB LEU 61 -1.806 6.019 0.025 444 HG LEU 61 HG LEU 61 -0.827 4.604 2.514 445 HD11 LEU 61 1HD1 LEU 61 -2.578 3.360 1.376 446 HD12 LEU 61 2HD1 LEU 61 -1.015 2.574 1.151 447 HD13 LEU 61 3HD1 LEU 61 -1.721 3.522 -0.159 448 HD21 LEU 61 3HD2 LEU 61 1.019 5.641 1.316 449 HD22 LEU 61 1HD2 LEU 61 0.469 4.920 -0.198 450 HD23 LEU 61 2HD2 LEU 61 1.057 3.892 1.109 451 H ASN 62 H ASN 62 -3.506 8.108 2.047 452 HA ASN 62 HA ASN 62 -3.882 9.659 -0.306 453 HB2 ASN 62 2HB ASN 62 -5.459 9.446 2.257 454 HB3 ASN 62 3HB ASN 62 -5.934 10.536 0.956 455 HD21 ASN 62 1HD2 ASN 62 -5.750 7.248 1.990 456 HD22 ASN 62 2HD2 ASN 62 -6.605 6.567 0.654 457 H ALA 63 H ALA 63 -2.604 10.440 2.849 458 HA ALA 63 HA ALA 63 -2.802 13.236 2.795 459 HB1 ALA 63 3HB ALA 63 -2.055 11.966 4.757 460 HB2 ALA 63 1HB ALA 63 -0.915 13.246 4.340 461 HB3 ALA 63 2HB ALA 63 -0.550 11.572 3.926 462 H LEU 64 H LEU 64 -0.634 11.057 1.100 463 HA LEU 64 HA LEU 64 1.229 12.979 0.144 464 HB2 LEU 64 2HB LEU 64 0.396 10.360 -1.119 465 HB3 LEU 64 3HB LEU 64 1.841 11.273 -1.513 466 HG LEU 64 HG LEU 64 1.277 9.990 1.171 467 HD11 LEU 64 1HD1 LEU 64 3.023 8.394 0.546 468 HD12 LEU 64 2HD1 LEU 64 3.128 9.129 -1.053 469 HD13 LEU 64 3HD1 LEU 64 1.647 8.313 -0.552 470 HD21 LEU 64 3HD2 LEU 64 3.628 10.502 1.652 471 HD22 LEU 64 1HD2 LEU 64 2.685 11.968 1.379 472 HD23 LEU 64 2HD2 LEU 64 3.756 11.360 0.116 473 H ALA 65 H ALA 65 -2.019 12.334 -0.722 474 HA ALA 65 HA ALA 65 -1.770 13.688 -3.319 475 HB1 ALA 65 3HB ALA 65 -4.153 12.309 -2.075 476 HB2 ALA 65 1HB ALA 65 -3.049 11.600 -3.254 477 HB3 ALA 65 2HB ALA 65 -4.068 12.965 -3.711 478 H LEU 66 H LEU 66 -3.131 14.096 -0.110 479 HA LEU 66 HA LEU 66 -4.747 16.364 -0.632 480 HB2 LEU 66 2HB LEU 66 -3.397 15.519 1.942 481 HB3 LEU 66 3HB LEU 66 -4.673 16.719 1.814 482 HG LEU 66 HG LEU 66 -4.947 13.772 1.177 483 HD11 LEU 66 1HD1 LEU 66 -6.060 15.387 3.470 484 HD12 LEU 66 2HD1 LEU 66 -4.739 14.222 3.571 485 HD13 LEU 66 3HD1 LEU 66 -6.364 13.679 3.152 486 HD21 LEU 66 3HD2 LEU 66 -7.011 15.979 1.135 487 HD22 LEU 66 1HD2 LEU 66 -7.350 14.257 0.953 488 HD23 LEU 66 2HD2 LEU 66 -6.390 15.100 -0.261 489 H GLU 67 H GLU 67 -1.480 16.132 0.795 490 HA GLU 67 HA GLU 67 0.265 17.587 0.929 491 HB2 GLU 67 2HB GLU 67 -0.940 18.568 -1.664 492 HB3 GLU 67 3HB GLU 67 0.664 18.998 -1.088 493 HG2 GLU 67 2HG GLU 67 1.295 16.608 -1.156 494 HG3 GLU 67 3HG GLU 67 -0.297 16.234 -1.820 495 H HIS 68 H HIS 68 -2.339 18.526 2.161 496 HA HIS 68 HA HIS 68 -2.361 21.389 1.779 497 HB2 HIS 68 2HB HIS 68 -3.943 19.501 3.494 498 HB3 HIS 68 3HB HIS 68 -4.009 21.234 3.801 499 HD1 HIS 68 HD1 HIS 68 -5.306 22.680 2.143 500 HD2 HIS 68 HD2 HIS 68 -5.101 18.683 1.035 501 HE1 HIS 68 HE1 HIS 68 -6.937 22.420 0.257 502 HE2 HIS 68 HE2 HIS 68 -6.673 20.042 -0.498 503 H HIS 69 H HIS 69 0.156 20.776 2.538 504 HA HIS 69 HA HIS 69 1.819 21.553 3.829 505 HB2 HIS 69 2HB HIS 69 -0.417 23.275 4.885 506 HB3 HIS 69 3HB HIS 69 1.256 23.467 5.402 507 HD1 HIS 69 HD1 HIS 69 -1.006 24.003 2.473 508 HD2 HIS 69 HD2 HIS 69 2.982 24.582 3.491 509 HE1 HIS 69 HE1 HIS 69 -0.034 25.392 0.624 510 HE2 HIS 69 HE2 HIS 69 2.412 25.563 1.166 511 H HIS 70 H HIS 70 2.930 20.638 5.371 512 HA HIS 70 HA HIS 70 1.824 18.864 7.259 513 HB2 HIS 70 2HB HIS 70 4.112 18.693 8.157 514 HB3 HIS 70 3HB HIS 70 4.094 18.594 6.400 515 HD1 HIS 70 HD1 HIS 70 6.296 19.746 8.691 516 HD2 HIS 70 HD2 HIS 70 4.351 21.720 5.596 517 HE1 HIS 70 HE1 HIS 70 7.717 21.742 8.171 518 HE2 HIS 70 HE2 HIS 70 6.449 22.994 6.403 519 H HIS 71 H HIS 71 1.605 18.970 9.509 520 HA HIS 71 HA HIS 71 1.502 21.709 10.626 521 HB2 HIS 71 2HB HIS 71 -0.156 19.302 11.437 522 HB3 HIS 71 3HB HIS 71 -0.297 20.931 12.090 523 HD1 HIS 71 HD1 HIS 71 -1.581 22.668 10.689 524 HD2 HIS 71 HD2 HIS 71 -1.257 18.949 8.857 525 HE1 HIS 71 HE1 HIS 71 -3.142 22.744 8.725 526 HE2 HIS 71 HE2 HIS 71 -2.935 20.485 7.634 527 H HIS 72 H HIS 72 1.627 21.635 13.158 528 HA HIS 72 HA HIS 72 3.390 19.570 14.200 529 HB2 HIS 72 2HB HIS 72 5.206 21.092 14.796 530 HB3 HIS 72 3HB HIS 72 4.964 21.085 13.054 531 HD1 HIS 72 HD1 HIS 72 4.623 23.270 16.078 532 HD2 HIS 72 HD2 HIS 72 4.082 23.526 11.961 533 HE1 HIS 72 HE1 HIS 72 4.349 25.714 15.583 534 HE2 HIS 72 HE2 HIS 72 4.011 25.849 13.098 535 H HIS 73 H HIS 73 3.877 19.874 16.508 536 HA HIS 73 HA HIS 73 1.700 20.898 18.026 537 HB2 HIS 73 2HB HIS 73 3.116 20.363 20.013 538 HB3 HIS 73 3HB HIS 73 2.931 19.022 18.892 539 HD1 HIS 73 HD1 HIS 73 5.476 21.313 20.353 540 HD2 HIS 73 HD2 HIS 73 5.296 18.265 17.532 541 HE1 HIS 73 HE1 HIS 73 7.857 20.675 19.902 542 HE2 HIS 73 HE2 HIS 73 7.733 18.860 18.168 Start of MODEL 12 1 H1 MET 1 1H MET 1 -18.522 10.435 -1.773 2 H2 MET 1 2H MET 1 -18.599 11.619 -0.569 3 H3 MET 1 3H MET 1 -18.324 10.005 -0.150 4 HA MET 1 HA MET 1 -16.500 11.731 -1.722 5 HB2 MET 1 2HB MET 1 -16.372 10.730 1.131 6 HB3 MET 1 3HB MET 1 -14.988 11.412 0.286 7 HG2 MET 1 2HG MET 1 -16.203 13.522 0.009 8 HG3 MET 1 3HG MET 1 -17.581 12.836 0.869 9 HE1 MET 1 3HE MET 1 -17.460 15.005 2.514 10 HE2 MET 1 1HE MET 1 -16.057 15.577 1.609 11 HE3 MET 1 2HE MET 1 -15.988 15.468 3.367 12 H THR 2 H THR 2 -14.558 10.779 -2.404 13 HA THR 2 HA THR 2 -14.315 7.853 -2.137 14 HB THR 2 HB THR 2 -15.375 8.285 -4.324 15 HG1 THR 2 HG1 THR 2 -14.041 6.513 -4.334 16 HG21 THR 2 3HG2 THR 2 -14.463 10.545 -4.723 17 HG22 THR 2 1HG2 THR 2 -14.167 9.466 -6.088 18 HG23 THR 2 2HG2 THR 2 -12.862 9.843 -4.965 19 H GLN 3 H GLN 3 -12.156 7.036 -2.534 20 HA GLN 3 HA GLN 3 -10.063 9.081 -2.075 21 HB2 GLN 3 2HB GLN 3 -9.986 6.186 -1.181 22 HB3 GLN 3 3HB GLN 3 -8.824 7.441 -0.791 23 HG2 GLN 3 2HG GLN 3 -10.097 7.186 1.148 24 HG3 GLN 3 3HG GLN 3 -10.726 8.643 0.387 25 HE21 GLN 3 1HE2 GLN 3 -11.496 5.405 -0.729 26 HE22 GLN 3 2HE2 GLN 3 -13.150 5.436 -0.245 27 H LYS 4 H LYS 4 -8.203 9.019 -3.325 28 HA LYS 4 HA LYS 4 -8.137 7.355 -5.661 29 HB2 LYS 4 2HB LYS 4 -6.007 9.145 -4.459 30 HB3 LYS 4 3HB LYS 4 -5.851 8.324 -6.006 31 HG2 LYS 4 2HG LYS 4 -7.866 10.451 -5.289 32 HG3 LYS 4 3HG LYS 4 -6.481 10.623 -6.366 33 HD2 LYS 4 2HD LYS 4 -8.842 8.788 -6.827 34 HD3 LYS 4 3HD LYS 4 -8.607 10.357 -7.597 35 HE2 LYS 4 2HE LYS 4 -6.732 8.002 -7.859 36 HE3 LYS 4 3HE LYS 4 -7.963 8.443 -9.039 37 HZ1 LYS 4 3HZ LYS 4 -5.663 10.136 -8.227 38 HZ2 LYS 4 1HZ LYS 4 -6.846 10.562 -9.356 39 HZ3 LYS 4 2HZ LYS 4 -5.796 9.277 -9.675 40 H PHE 5 H PHE 5 -6.779 7.163 -2.459 41 HA PHE 5 HA PHE 5 -5.497 4.594 -3.151 42 HB2 PHE 5 2HB PHE 5 -5.048 6.345 -0.716 43 HB3 PHE 5 3HB PHE 5 -4.177 4.864 -1.102 44 HD1 PHE 5 HD2 PHE 5 -4.634 8.403 -1.953 45 HD2 PHE 5 HD1 PHE 5 -2.467 4.834 -2.817 46 HE1 PHE 5 HE2 PHE 5 -2.981 9.712 -3.218 47 HE2 PHE 5 HE1 PHE 5 -0.816 6.142 -4.081 48 HZ PHE 5 HZ PHE 5 -1.066 8.581 -4.284 49 H THR 6 H THR 6 -6.912 2.994 -2.832 50 HA THR 6 HA THR 6 -8.562 2.998 -0.370 51 HB THR 6 HB THR 6 -10.084 3.359 -2.191 52 HG1 THR 6 HG1 THR 6 -11.420 1.648 -1.810 53 HG21 THR 6 3HG2 THR 6 -10.236 1.854 -4.122 54 HG22 THR 6 1HG2 THR 6 -8.846 0.942 -3.531 55 HG23 THR 6 2HG2 THR 6 -8.648 2.618 -4.043 56 H LYS 7 H LYS 7 -9.233 0.849 0.375 57 HA LYS 7 HA LYS 7 -7.063 -0.936 0.645 58 HB2 LYS 7 2HB LYS 7 -8.696 -2.421 1.750 59 HB3 LYS 7 3HB LYS 7 -8.810 -0.763 2.327 60 HG2 LYS 7 2HG LYS 7 -10.787 -0.384 0.986 61 HG3 LYS 7 3HG LYS 7 -10.641 -1.984 0.258 62 HD2 LYS 7 2HD LYS 7 -12.345 -1.990 1.992 63 HD3 LYS 7 3HD LYS 7 -10.987 -3.012 2.461 64 HE2 LYS 7 2HE LYS 7 -10.115 -1.095 3.818 65 HE3 LYS 7 3HE LYS 7 -11.606 -0.225 3.448 66 HZ1 LYS 7 3HZ LYS 7 -11.413 -2.824 4.872 67 HZ2 LYS 7 1HZ LYS 7 -12.853 -2.020 4.498 68 HZ3 LYS 7 2HZ LYS 7 -11.759 -1.326 5.583 69 H ASP 8 H ASP 8 -9.532 -0.710 -1.759 70 HA ASP 8 HA ASP 8 -9.502 -3.491 -2.527 71 HB2 ASP 8 2HB ASP 8 -11.538 -2.095 -2.654 72 HB3 ASP 8 3HB ASP 8 -10.772 -1.107 -3.893 73 H MET 9 H MET 9 -7.742 -0.647 -3.520 74 HA MET 9 HA MET 9 -7.132 -1.613 -6.173 75 HB2 MET 9 2HB MET 9 -5.721 0.349 -6.386 76 HB3 MET 9 3HB MET 9 -7.265 0.803 -5.680 77 HG2 MET 9 2HG MET 9 -6.154 0.708 -3.432 78 HG3 MET 9 3HG MET 9 -4.620 0.513 -4.275 79 HE1 MET 9 3HE MET 9 -4.350 3.894 -6.243 80 HE2 MET 9 1HE MET 9 -5.036 2.379 -6.830 81 HE3 MET 9 2HE MET 9 -3.558 2.365 -5.866 82 H THR 10 H THR 10 -5.038 -2.220 -6.954 83 HA THR 10 HA THR 10 -3.635 -3.989 -5.179 84 HB THR 10 HB THR 10 -2.227 -4.554 -7.083 85 HG1 THR 10 HG1 THR 10 -2.835 -3.355 -9.132 86 HG21 THR 10 3HG2 THR 10 -3.939 -5.296 -8.671 87 HG22 THR 10 1HG2 THR 10 -5.107 -4.200 -7.935 88 HG23 THR 10 2HG2 THR 10 -4.465 -5.558 -7.009 89 H PHE 11 H PHE 11 -1.385 -3.964 -4.672 90 HA PHE 11 HA PHE 11 -0.268 -1.566 -3.799 91 HB2 PHE 11 2HB PHE 11 1.060 -4.188 -4.514 92 HB3 PHE 11 3HB PHE 11 1.925 -2.848 -3.771 93 HD1 PHE 11 HD2 PHE 11 1.482 -2.196 -1.466 94 HD2 PHE 11 HD1 PHE 11 -0.513 -5.515 -3.239 95 HE1 PHE 11 HE2 PHE 11 0.798 -2.973 0.765 96 HE2 PHE 11 HE1 PHE 11 -1.200 -6.295 -1.010 97 HZ PHE 11 HZ PHE 11 -0.543 -5.025 0.996 98 H ALA 12 H ALA 12 0.212 -3.268 -6.868 99 HA ALA 12 HA ALA 12 2.240 -1.705 -7.965 100 HB1 ALA 12 3HB ALA 12 1.487 -2.508 -10.139 101 HB2 ALA 12 1HB ALA 12 -0.046 -3.024 -9.433 102 HB3 ALA 12 2HB ALA 12 1.458 -3.808 -8.949 103 H GLN 13 H GLN 13 -1.301 -1.231 -8.191 104 HA GLN 13 HA GLN 13 -1.237 1.089 -9.784 105 HB2 GLN 13 2HB GLN 13 -3.271 0.159 -7.749 106 HB3 GLN 13 3HB GLN 13 -3.515 1.553 -8.791 107 HG2 GLN 13 2HG GLN 13 -3.281 0.087 -10.762 108 HG3 GLN 13 3HG GLN 13 -3.126 -1.298 -9.682 109 HE21 GLN 13 1HE2 GLN 13 -5.284 1.386 -9.064 110 HE22 GLN 13 2HE2 GLN 13 -6.746 0.503 -9.310 111 H ALA 14 H ALA 14 -1.212 0.720 -6.251 112 HA ALA 14 HA ALA 14 -1.299 3.416 -5.523 113 HB1 ALA 14 3HB ALA 14 -1.533 1.578 -3.927 114 HB2 ALA 14 1HB ALA 14 -0.286 2.715 -3.410 115 HB3 ALA 14 2HB ALA 14 0.171 1.171 -4.133 116 H LEU 15 H LEU 15 1.575 1.378 -6.137 117 HA LEU 15 HA LEU 15 3.524 3.355 -5.701 118 HB2 LEU 15 2HB LEU 15 3.635 0.933 -7.509 119 HB3 LEU 15 3HB LEU 15 5.026 1.884 -7.019 120 HG LEU 15 HG LEU 15 3.250 0.279 -5.167 121 HD11 LEU 15 1HD1 LEU 15 4.627 -1.145 -6.583 122 HD12 LEU 15 2HD1 LEU 15 5.191 -1.188 -4.913 123 HD13 LEU 15 3HD1 LEU 15 6.069 -0.240 -6.116 124 HD21 LEU 15 3HD2 LEU 15 4.148 2.259 -4.058 125 HD22 LEU 15 1HD2 LEU 15 5.777 1.837 -4.587 126 HD23 LEU 15 2HD2 LEU 15 4.921 0.797 -3.446 127 H GLN 16 H GLN 16 1.692 2.542 -8.609 128 HA GLN 16 HA GLN 16 3.119 4.299 -10.360 129 HB2 GLN 16 2HB GLN 16 0.374 3.040 -10.566 130 HB3 GLN 16 3HB GLN 16 1.107 3.989 -11.852 131 HG2 GLN 16 2HG GLN 16 2.303 1.474 -10.693 132 HG3 GLN 16 3HG GLN 16 1.317 1.538 -12.154 133 HE21 GLN 16 1HE2 GLN 16 4.397 2.337 -10.748 134 HE22 GLN 16 2HE2 GLN 16 5.203 2.695 -12.233 135 H THR 17 H THR 17 0.312 4.660 -8.277 136 HA THR 17 HA THR 17 -0.592 7.133 -9.342 137 HB THR 17 HB THR 17 -1.088 5.973 -6.585 138 HG1 THR 17 HG1 THR 17 -1.965 4.578 -8.076 139 HG21 THR 17 3HG2 THR 17 -1.594 8.362 -6.643 140 HG22 THR 17 1HG2 THR 17 -3.086 7.422 -6.581 141 HG23 THR 17 2HG2 THR 17 -2.558 8.138 -8.105 142 H HIS 18 H HIS 18 1.520 6.359 -6.574 143 HA HIS 18 HA HIS 18 2.803 8.946 -6.846 144 HB2 HIS 18 2HB HIS 18 1.018 8.298 -4.550 145 HB3 HIS 18 3HB HIS 18 2.538 9.097 -4.166 146 HD1 HIS 18 HD1 HIS 18 -0.818 9.733 -5.627 147 HD2 HIS 18 HD2 HIS 18 2.808 11.719 -5.225 148 HE1 HIS 18 HE1 HIS 18 -1.310 12.139 -6.119 149 HE2 HIS 18 HE2 HIS 18 0.847 13.340 -5.665 150 HA PRO 19 HA PRO 19 6.284 6.207 -5.969 151 HB2 PRO 19 2HB PRO 19 7.610 8.852 -5.572 152 HB3 PRO 19 3HB PRO 19 8.115 7.478 -6.562 153 HG2 PRO 19 2HG PRO 19 7.075 9.638 -7.709 154 HG3 PRO 19 3HG PRO 19 6.647 8.017 -8.292 155 HD2 PRO 19 2HD PRO 19 5.060 9.897 -6.579 156 HD3 PRO 19 3HD PRO 19 4.513 8.829 -7.890 157 H GLY 20 H GLY 20 5.430 9.006 -3.954 158 HA2 GLY 20 2HA GLY 20 6.926 8.458 -1.670 159 HA3 GLY 20 3HA GLY 20 5.381 9.288 -1.673 160 H VAL 21 H VAL 21 4.151 6.759 -2.872 161 HA VAL 21 HA VAL 21 3.210 5.557 -0.513 162 HB VAL 21 HB VAL 21 3.216 4.488 -3.349 163 HG11 VAL 21 1HG1 VAL 21 2.907 2.642 -1.792 164 HG12 VAL 21 2HG1 VAL 21 1.392 2.999 -2.619 165 HG13 VAL 21 3HG1 VAL 21 1.636 3.531 -0.955 166 HG21 VAL 21 3HG2 VAL 21 0.891 5.282 -3.396 167 HG22 VAL 21 1HG2 VAL 21 2.026 6.602 -3.105 168 HG23 VAL 21 2HG2 VAL 21 1.084 5.936 -1.769 169 H ALA 22 H ALA 22 5.908 4.729 -2.635 170 HA ALA 22 HA ALA 22 6.524 2.174 -1.697 171 HB1 ALA 22 3HB ALA 22 8.470 4.302 -2.604 172 HB2 ALA 22 1HB ALA 22 7.594 3.190 -3.658 173 HB3 ALA 22 2HB ALA 22 8.788 2.568 -2.519 174 H GLY 23 H GLY 23 7.649 5.332 -0.463 175 HA2 GLY 23 2HA GLY 23 9.252 4.357 1.642 176 HA3 GLY 23 3HA GLY 23 8.513 5.948 1.580 177 H VAL 24 H VAL 24 5.812 5.241 1.586 178 HA VAL 24 HA VAL 24 5.253 4.840 4.312 179 HB VAL 24 HB VAL 24 3.358 4.365 1.997 180 HG11 VAL 24 1HG1 VAL 24 2.502 3.525 4.119 181 HG12 VAL 24 2HG1 VAL 24 1.595 4.947 3.601 182 HG13 VAL 24 3HG1 VAL 24 2.803 5.089 4.880 183 HG21 VAL 24 3HG2 VAL 24 4.377 6.557 1.776 184 HG22 VAL 24 1HG2 VAL 24 3.985 6.937 3.454 185 HG23 VAL 24 2HG2 VAL 24 2.694 6.720 2.273 186 H LEU 25 H LEU 25 4.784 2.607 1.559 187 HA LEU 25 HA LEU 25 3.914 0.387 3.006 188 HB2 LEU 25 2HB LEU 25 5.516 0.457 0.441 189 HB3 LEU 25 3HB LEU 25 4.679 -0.956 1.060 190 HG LEU 25 HG LEU 25 3.385 1.622 0.141 191 HD11 LEU 25 1HD1 LEU 25 3.349 -1.146 -1.059 192 HD12 LEU 25 2HD1 LEU 25 4.219 0.250 -1.695 193 HD13 LEU 25 3HD1 LEU 25 2.456 0.255 -1.653 194 HD21 LEU 25 3HD2 LEU 25 2.135 -0.904 1.230 195 HD22 LEU 25 1HD2 LEU 25 1.255 0.424 0.474 196 HD23 LEU 25 2HD2 LEU 25 2.121 0.691 1.985 197 H ARG 26 H ARG 26 7.265 1.161 1.978 198 HA ARG 26 HA ARG 26 8.520 -1.056 3.129 199 HB2 ARG 26 2HB ARG 26 9.575 1.742 2.688 200 HB3 ARG 26 3HB ARG 26 10.582 0.388 3.189 201 HG2 ARG 26 2HG ARG 26 9.959 -0.802 1.109 202 HG3 ARG 26 3HG ARG 26 9.038 0.616 0.604 203 HD2 ARG 26 2HD ARG 26 11.257 0.580 -0.433 204 HD3 ARG 26 3HD ARG 26 11.075 1.970 0.643 205 HE ARG 26 HE ARG 26 12.255 -0.282 1.956 206 HH11 ARG 26 1HH1 ARG 26 12.949 2.384 -0.115 207 HH12 ARG 26 2HH1 ARG 26 14.612 2.446 0.351 208 HH21 ARG 26 1HH2 ARG 26 14.374 -0.190 2.542 209 HH22 ARG 26 2HH2 ARG 26 15.410 1.010 1.845 210 H SER 27 H SER 27 7.875 2.135 4.589 211 HA SER 27 HA SER 27 9.065 1.673 7.085 212 HB2 SER 27 2HB SER 27 8.300 3.903 6.352 213 HB3 SER 27 3HB SER 27 6.623 3.371 6.471 214 HG SER 27 HG SER 27 7.933 4.506 8.346 215 H TYR 28 H TYR 28 5.905 0.748 5.852 216 HA TYR 28 HA TYR 28 5.046 -0.304 8.432 217 HB2 TYR 28 2HB TYR 28 3.711 0.015 5.752 218 HB3 TYR 28 3HB TYR 28 2.986 -0.978 7.012 219 HD1 TYR 28 HD1 TYR 28 4.615 2.415 6.883 220 HD2 TYR 28 HD2 TYR 28 1.275 0.081 8.140 221 HE1 TYR 28 HE1 TYR 28 3.594 4.416 7.883 222 HE2 TYR 28 HE2 TYR 28 0.254 2.081 9.141 223 HH TYR 28 HH TYR 28 0.752 4.218 9.890 224 H ASN 29 H ASN 29 7.207 -1.512 6.453 225 HA ASN 29 HA ASN 29 8.091 -3.600 6.175 226 HB2 ASN 29 2HB ASN 29 7.107 -3.879 8.541 227 HB3 ASN 29 3HB ASN 29 5.795 -4.755 7.765 228 HD21 ASN 29 1HD2 ASN 29 7.659 -5.738 9.695 229 HD22 ASN 29 2HD2 ASN 29 8.491 -7.055 8.951 230 H LEU 30 H LEU 30 5.816 -2.475 4.495 231 HA LEU 30 HA LEU 30 4.872 -4.949 3.219 232 HB2 LEU 30 2HB LEU 30 4.036 -2.068 2.891 233 HB3 LEU 30 3HB LEU 30 3.465 -3.351 1.842 234 HG LEU 30 HG LEU 30 3.006 -3.206 4.828 235 HD11 LEU 30 1HD1 LEU 30 0.682 -2.740 4.241 236 HD12 LEU 30 2HD1 LEU 30 1.106 -2.735 2.528 237 HD13 LEU 30 3HD1 LEU 30 1.760 -1.499 3.601 238 HD21 LEU 30 3HD2 LEU 30 1.483 -5.093 4.461 239 HD22 LEU 30 1HD2 LEU 30 3.141 -5.509 4.027 240 HD23 LEU 30 2HD2 LEU 30 1.960 -5.155 2.764 241 H GLY 31 H GLY 31 7.499 -2.961 2.948 242 HA2 GLY 31 2HA GLY 31 7.701 -2.379 0.205 243 HA3 GLY 31 3HA GLY 31 9.060 -2.591 1.296 244 H CYS 32 H CYS 32 8.108 -5.387 1.882 245 HA CYS 32 HA CYS 32 9.653 -6.732 -0.101 246 HB2 CYS 32 2HB CYS 32 9.608 -7.483 2.222 247 HB3 CYS 32 3HB CYS 32 7.893 -7.848 2.092 248 HG CYS 32 HG CYS 32 10.401 -9.814 1.563 249 H ILE 33 H ILE 33 6.531 -5.631 -0.354 250 HA ILE 33 HA ILE 33 4.990 -7.666 -1.397 251 HB ILE 33 HB ILE 33 3.956 -5.910 -2.921 252 HG12 ILE 33 2HG1 ILE 33 5.902 -4.103 -1.453 253 HG13 ILE 33 3HG1 ILE 33 5.964 -4.496 -3.168 254 HG21 ILE 33 1HG2 ILE 33 4.148 -5.306 0.028 255 HG22 ILE 33 2HG2 ILE 33 3.052 -6.459 -0.731 256 HG23 ILE 33 3HG2 ILE 33 2.886 -4.735 -1.063 257 HD11 ILE 33 3HD1 ILE 33 5.020 -2.293 -2.779 258 HD12 ILE 33 1HD1 ILE 33 3.747 -3.002 -1.784 259 HD13 ILE 33 2HD1 ILE 33 3.832 -3.372 -3.507 260 H GLY 34 H GLY 34 7.519 -5.830 -3.087 261 HA2 GLY 34 2HA GLY 34 7.142 -6.982 -5.642 262 HA3 GLY 34 3HA GLY 34 8.631 -6.259 -5.052 263 H CYS 35 H CYS 35 9.289 -7.915 -2.963 264 HA CYS 35 HA CYS 35 10.554 -10.042 -4.332 265 HB2 CYS 35 2HB CYS 35 10.266 -9.605 -1.353 266 HB3 CYS 35 3HB CYS 35 11.421 -10.685 -2.130 267 HG CYS 35 HG CYS 35 12.974 -8.597 -1.402 268 H MET 36 H MET 36 7.674 -9.947 -2.263 269 HA MET 36 HA MET 36 7.362 -12.841 -2.434 270 HB2 MET 36 2HB MET 36 5.398 -12.543 -1.001 271 HB3 MET 36 3HB MET 36 6.808 -11.746 -0.321 272 HG2 MET 36 2HG MET 36 5.947 -9.594 -1.256 273 HG3 MET 36 3HG MET 36 4.477 -10.451 -1.718 274 HE1 MET 36 3HE MET 36 4.171 -12.495 0.750 275 HE2 MET 36 1HE MET 36 2.816 -11.597 0.064 276 HE3 MET 36 2HE MET 36 3.098 -11.574 1.804 277 H GLY 37 H GLY 37 6.617 -10.258 -4.412 278 HA2 GLY 37 2HA GLY 37 5.569 -10.282 -6.469 279 HA3 GLY 37 3HA GLY 37 5.090 -11.942 -6.169 280 H ALA 38 H ALA 38 4.215 -9.479 -3.867 281 HA ALA 38 HA ALA 38 1.407 -10.024 -4.294 282 HB1 ALA 38 3HB ALA 38 2.353 -9.828 -2.034 283 HB2 ALA 38 1HB ALA 38 1.050 -8.669 -2.306 284 HB3 ALA 38 2HB ALA 38 2.730 -8.134 -2.347 285 H GLN 39 H GLN 39 2.936 -8.478 -6.380 286 HA GLN 39 HA GLN 39 2.292 -5.739 -6.302 287 HB2 GLN 39 2HB GLN 39 2.726 -7.483 -8.740 288 HB3 GLN 39 3HB GLN 39 2.807 -5.727 -8.703 289 HG2 GLN 39 2HG GLN 39 4.653 -7.617 -7.247 290 HG3 GLN 39 3HG GLN 39 5.029 -6.725 -8.719 291 HE21 GLN 39 1HE2 GLN 39 4.555 -6.509 -5.288 292 HE22 GLN 39 2HE2 GLN 39 5.210 -4.923 -5.094 293 H ASN 40 H ASN 40 0.526 -8.483 -7.727 294 HA ASN 40 HA ASN 40 -1.551 -6.701 -8.750 295 HB2 ASN 40 2HB ASN 40 -1.377 -9.720 -8.953 296 HB3 ASN 40 3HB ASN 40 -2.437 -8.661 -9.880 297 HD21 ASN 40 1HD2 ASN 40 0.762 -9.897 -9.522 298 HD22 ASN 40 2HD2 ASN 40 1.402 -9.244 -10.986 299 H GLU 41 H GLU 41 -1.056 -7.561 -5.767 300 HA GLU 41 HA GLU 41 -3.781 -8.514 -5.189 301 HB2 GLU 41 2HB GLU 41 -1.915 -9.831 -4.246 302 HB3 GLU 41 3HB GLU 41 -1.353 -8.407 -3.380 303 HG2 GLU 41 2HG GLU 41 -3.218 -8.403 -1.946 304 HG3 GLU 41 3HG GLU 41 -4.112 -9.527 -2.966 305 H SER 42 H SER 42 -5.129 -7.418 -3.751 306 HA SER 42 HA SER 42 -4.946 -4.585 -3.801 307 HB2 SER 42 2HB SER 42 -7.012 -4.651 -2.411 308 HB3 SER 42 3HB SER 42 -7.113 -5.665 -3.850 309 HG SER 42 HG SER 42 -7.047 -7.444 -2.639 310 H LEU 43 H LEU 43 -4.846 -3.102 -2.066 311 HA LEU 43 HA LEU 43 -2.669 -3.390 -0.404 312 HB2 LEU 43 2HB LEU 43 -5.035 -1.548 -0.055 313 HB3 LEU 43 3HB LEU 43 -3.506 -1.377 0.787 314 HG LEU 43 HG LEU 43 -3.924 -1.137 -2.200 315 HD11 LEU 43 1HD1 LEU 43 -3.251 0.950 -0.128 316 HD12 LEU 43 2HD1 LEU 43 -4.794 0.772 -0.964 317 HD13 LEU 43 3HD1 LEU 43 -3.348 1.214 -1.870 318 HD21 LEU 43 3HD2 LEU 43 -1.571 -0.441 -2.283 319 HD22 LEU 43 1HD2 LEU 43 -1.744 -2.104 -1.722 320 HD23 LEU 43 2HD2 LEU 43 -1.403 -0.815 -0.566 321 H GLU 44 H GLU 44 -6.099 -3.864 0.507 322 HA GLU 44 HA GLU 44 -5.598 -4.151 3.275 323 HB2 GLU 44 2HB GLU 44 -7.837 -3.673 2.360 324 HB3 GLU 44 3HB GLU 44 -7.905 -5.301 1.692 325 HG2 GLU 44 2HG GLU 44 -7.837 -6.256 3.920 326 HG3 GLU 44 3HG GLU 44 -7.648 -4.654 4.629 327 H GLN 45 H GLN 45 -5.862 -6.613 0.712 328 HA GLN 45 HA GLN 45 -5.666 -8.878 2.366 329 HB2 GLN 45 2HB GLN 45 -4.823 -8.472 -0.509 330 HB3 GLN 45 3HB GLN 45 -4.860 -10.041 0.288 331 HG2 GLN 45 2HG GLN 45 -7.245 -9.880 0.604 332 HG3 GLN 45 3HG GLN 45 -7.252 -8.235 -0.034 333 HE21 GLN 45 1HE2 GLN 45 -8.700 -8.760 -1.650 334 HE22 GLN 45 2HE2 GLN 45 -8.249 -9.702 -3.028 335 H GLY 46 H GLY 46 -3.083 -7.177 0.561 336 HA2 GLY 46 2HA GLY 46 -0.923 -8.687 1.576 337 HA3 GLY 46 3HA GLY 46 -0.811 -7.067 0.910 338 H ALA 47 H ALA 47 -2.492 -5.766 2.818 339 HA ALA 47 HA ALA 47 -0.698 -5.163 4.891 340 HB1 ALA 47 3HB ALA 47 -2.457 -3.625 4.181 341 HB2 ALA 47 1HB ALA 47 -2.553 -3.932 5.917 342 HB3 ALA 47 2HB ALA 47 -3.685 -4.719 4.816 343 H ASN 48 H ASN 48 -3.744 -7.059 5.073 344 HA ASN 48 HA ASN 48 -3.341 -7.934 7.727 345 HB2 ASN 48 2HB ASN 48 -5.019 -9.049 5.480 346 HB3 ASN 48 3HB ASN 48 -4.981 -9.788 7.080 347 HD21 ASN 48 1HD2 ASN 48 -6.166 -7.188 5.182 348 HD22 ASN 48 2HD2 ASN 48 -7.126 -6.455 6.420 349 H ALA 49 H ALA 49 -2.274 -9.289 4.641 350 HA ALA 49 HA ALA 49 -1.280 -11.745 5.562 351 HB1 ALA 49 3HB ALA 49 0.130 -11.746 3.577 352 HB2 ALA 49 1HB ALA 49 -0.147 -10.017 3.357 353 HB3 ALA 49 2HB ALA 49 -1.484 -11.153 3.182 354 H HIS 50 H HIS 50 0.030 -8.506 5.831 355 HA HIS 50 HA HIS 50 2.445 -9.553 7.160 356 HB2 HIS 50 2HB HIS 50 1.778 -6.863 5.964 357 HB3 HIS 50 3HB HIS 50 3.148 -7.076 7.048 358 HD1 HIS 50 HD1 HIS 50 5.208 -7.167 5.692 359 HD2 HIS 50 HD2 HIS 50 2.076 -9.188 3.845 360 HE1 HIS 50 HE1 HIS 50 6.180 -8.145 3.598 361 HE2 HIS 50 HE2 HIS 50 4.321 -9.504 2.595 362 H GLY 51 H GLY 51 -0.601 -8.639 8.009 363 HA2 GLY 51 2HA GLY 51 -1.541 -8.369 10.100 364 HA3 GLY 51 3HA GLY 51 0.069 -8.426 10.791 365 H LEU 52 H LEU 52 -1.732 -6.190 8.650 366 HA LEU 52 HA LEU 52 -1.024 -3.977 10.478 367 HB2 LEU 52 2HB LEU 52 -0.995 -3.833 7.458 368 HB3 LEU 52 3HB LEU 52 -0.592 -2.534 8.566 369 HG LEU 52 HG LEU 52 0.985 -5.099 8.264 370 HD11 LEU 52 1HD1 LEU 52 2.645 -3.726 7.136 371 HD12 LEU 52 2HD1 LEU 52 1.586 -2.321 7.254 372 HD13 LEU 52 3HD1 LEU 52 1.114 -3.704 6.265 373 HD21 LEU 52 3HD2 LEU 52 1.588 -2.571 9.807 374 HD22 LEU 52 1HD2 LEU 52 2.680 -3.943 9.605 375 HD23 LEU 52 2HD2 LEU 52 1.173 -4.140 10.499 376 H ASN 53 H ASN 53 -2.403 -2.031 10.185 377 HA ASN 53 HA ASN 53 -5.156 -2.700 9.422 378 HB2 ASN 53 2HB ASN 53 -4.768 -1.543 11.589 379 HB3 ASN 53 3HB ASN 53 -4.055 -0.185 10.724 380 HD21 ASN 53 1HD2 ASN 53 -6.303 -0.045 12.450 381 HD22 ASN 53 2HD2 ASN 53 -7.654 0.469 11.506 382 H VAL 54 H VAL 54 -5.661 -2.390 7.335 383 HA VAL 54 HA VAL 54 -4.125 -0.947 5.495 384 HB VAL 54 HB VAL 54 -5.684 -2.732 4.834 385 HG11 VAL 54 1HG1 VAL 54 -7.552 -2.216 6.313 386 HG12 VAL 54 2HG1 VAL 54 -8.092 -2.283 4.635 387 HG13 VAL 54 3HG1 VAL 54 -7.865 -0.723 5.426 388 HG21 VAL 54 3HG2 VAL 54 -4.890 -1.154 3.143 389 HG22 VAL 54 1HG2 VAL 54 -6.248 -0.081 3.487 390 HG23 VAL 54 2HG2 VAL 54 -6.536 -1.675 2.787 391 H GLU 55 H GLU 55 -6.878 0.083 7.457 392 HA GLU 55 HA GLU 55 -7.481 2.486 6.119 393 HB2 GLU 55 2HB GLU 55 -7.788 1.833 9.062 394 HB3 GLU 55 3HB GLU 55 -8.565 3.174 8.235 395 HG2 GLU 55 2HG GLU 55 -9.646 1.429 6.733 396 HG3 GLU 55 3HG GLU 55 -9.074 0.231 7.893 397 H ASP 56 H ASP 56 -5.262 1.851 8.830 398 HA ASP 56 HA ASP 56 -4.465 4.519 9.262 399 HB2 ASP 56 2HB ASP 56 -4.069 2.610 10.835 400 HB3 ASP 56 3HB ASP 56 -2.816 2.023 9.744 401 H ILE 57 H ILE 57 -3.269 2.023 7.080 402 HA ILE 57 HA ILE 57 -1.017 3.436 6.081 403 HB ILE 57 HB ILE 57 -2.685 1.343 4.656 404 HG12 ILE 57 2HG1 ILE 57 -0.214 0.978 6.376 405 HG13 ILE 57 3HG1 ILE 57 -1.855 0.596 6.884 406 HG21 ILE 57 1HG2 ILE 57 -1.192 2.565 3.153 407 HG22 ILE 57 2HG2 ILE 57 -0.646 0.903 3.363 408 HG23 ILE 57 3HG2 ILE 57 0.176 2.214 4.209 409 HD11 ILE 57 3HD1 ILE 57 -1.999 -1.081 5.103 410 HD12 ILE 57 1HD1 ILE 57 -0.675 -1.403 6.221 411 HD13 ILE 57 2HD1 ILE 57 -0.340 -0.710 4.634 412 H LEU 58 H LEU 58 -4.320 3.029 4.778 413 HA LEU 58 HA LEU 58 -4.111 4.660 2.527 414 HB2 LEU 58 2HB LEU 58 -6.533 4.224 4.288 415 HB3 LEU 58 3HB LEU 58 -6.571 4.887 2.664 416 HG LEU 58 HG LEU 58 -5.718 2.083 3.413 417 HD11 LEU 58 1HD1 LEU 58 -8.183 3.068 1.974 418 HD12 LEU 58 2HD1 LEU 58 -8.125 2.422 3.614 419 HD13 LEU 58 3HD1 LEU 58 -7.742 1.381 2.245 420 HD21 LEU 58 3HD2 LEU 58 -5.619 1.678 0.995 421 HD22 LEU 58 1HD2 LEU 58 -4.451 2.899 1.501 422 HD23 LEU 58 2HD2 LEU 58 -5.944 3.386 0.697 423 H ARG 59 H ARG 59 -4.718 5.522 5.885 424 HA ARG 59 HA ARG 59 -5.382 8.192 5.716 425 HB2 ARG 59 2HB ARG 59 -5.306 7.156 7.853 426 HB3 ARG 59 3HB ARG 59 -3.621 6.699 7.657 427 HG2 ARG 59 2HG ARG 59 -3.112 9.204 7.658 428 HG3 ARG 59 3HG ARG 59 -4.765 9.418 8.244 429 HD2 ARG 59 2HD ARG 59 -3.052 9.321 10.058 430 HD3 ARG 59 3HD ARG 59 -4.310 8.091 10.196 431 HE ARG 59 HE ARG 59 -2.688 6.496 9.269 432 HH11 ARG 59 1HH1 ARG 59 -1.439 9.418 10.623 433 HH12 ARG 59 2HH1 ARG 59 0.116 8.725 10.928 434 HH21 ARG 59 1HH2 ARG 59 -0.697 5.636 9.680 435 HH22 ARG 59 2HH2 ARG 59 0.531 6.630 10.387 436 H ASP 60 H ASP 60 -2.064 6.864 5.819 437 HA ASP 60 HA ASP 60 -0.809 9.397 5.432 438 HB2 ASP 60 2HB ASP 60 0.161 7.282 6.530 439 HB3 ASP 60 3HB ASP 60 0.465 6.708 4.894 440 H LEU 61 H LEU 61 -1.544 6.663 3.284 441 HA LEU 61 HA LEU 61 -0.230 7.513 0.977 442 HB2 LEU 61 2HB LEU 61 -2.829 5.981 1.170 443 HB3 LEU 61 3HB LEU 61 -1.831 6.101 -0.267 444 HG LEU 61 HG LEU 61 -1.080 4.743 2.327 445 HD11 LEU 61 1HD1 LEU 61 -2.673 3.477 0.994 446 HD12 LEU 61 2HD1 LEU 61 -1.089 2.704 0.969 447 HD13 LEU 61 3HD1 LEU 61 -1.637 3.634 -0.427 448 HD21 LEU 61 3HD2 LEU 61 0.877 5.809 1.339 449 HD22 LEU 61 1HD2 LEU 61 0.525 5.048 -0.214 450 HD23 LEU 61 2HD2 LEU 61 0.969 4.057 1.176 451 H ASN 62 H ASN 62 -3.659 8.127 1.857 452 HA ASN 62 HA ASN 62 -4.106 9.831 -0.393 453 HB2 ASN 62 2HB ASN 62 -5.667 9.462 2.171 454 HB3 ASN 62 3HB ASN 62 -6.182 10.543 0.879 455 HD21 ASN 62 1HD2 ASN 62 -5.909 7.274 1.912 456 HD22 ASN 62 2HD2 ASN 62 -6.730 6.561 0.574 457 H ALA 63 H ALA 63 -2.852 10.363 2.822 458 HA ALA 63 HA ALA 63 -3.038 13.186 2.894 459 HB1 ALA 63 3HB ALA 63 -2.519 11.831 4.878 460 HB2 ALA 63 1HB ALA 63 -1.315 13.094 4.616 461 HB3 ALA 63 2HB ALA 63 -0.951 11.424 4.182 462 H LEU 64 H LEU 64 -0.786 11.005 1.309 463 HA LEU 64 HA LEU 64 1.213 12.867 0.582 464 HB2 LEU 64 2HB LEU 64 0.250 10.406 -0.892 465 HB3 LEU 64 3HB LEU 64 1.729 11.274 -1.259 466 HG LEU 64 HG LEU 64 1.173 9.898 1.376 467 HD11 LEU 64 1HD1 LEU 64 2.719 8.168 0.615 468 HD12 LEU 64 2HD1 LEU 64 2.840 8.958 -0.959 469 HD13 LEU 64 3HD1 LEU 64 1.303 8.268 -0.432 470 HD21 LEU 64 3HD2 LEU 64 3.710 11.086 0.235 471 HD22 LEU 64 1HD2 LEU 64 3.582 10.192 1.752 472 HD23 LEU 64 2HD2 LEU 64 2.759 11.740 1.570 473 H ALA 65 H ALA 65 -1.971 12.234 -0.702 474 HA ALA 65 HA ALA 65 -1.542 13.832 -3.101 475 HB1 ALA 65 3HB ALA 65 -4.058 12.520 -2.058 476 HB2 ALA 65 1HB ALA 65 -2.933 11.818 -3.222 477 HB3 ALA 65 2HB ALA 65 -3.855 13.261 -3.646 478 H LEU 66 H LEU 66 -3.530 14.015 -0.155 479 HA LEU 66 HA LEU 66 -4.638 16.578 -0.728 480 HB2 LEU 66 2HB LEU 66 -4.412 15.097 1.901 481 HB3 LEU 66 3HB LEU 66 -5.408 16.513 1.620 482 HG LEU 66 HG LEU 66 -5.768 13.826 0.277 483 HD11 LEU 66 1HD1 LEU 66 -7.391 15.182 2.432 484 HD12 LEU 66 2HD1 LEU 66 -6.376 13.752 2.631 485 HD13 LEU 66 3HD1 LEU 66 -7.816 13.678 1.615 486 HD21 LEU 66 3HD2 LEU 66 -7.428 16.345 0.108 487 HD22 LEU 66 1HD2 LEU 66 -7.856 14.782 -0.588 488 HD23 LEU 66 2HD2 LEU 66 -6.444 15.655 -1.183 489 H GLU 67 H GLU 67 -1.817 15.509 1.067 490 HA GLU 67 HA GLU 67 -0.069 16.559 2.039 491 HB2 GLU 67 2HB GLU 67 -0.696 18.563 -0.131 492 HB3 GLU 67 3HB GLU 67 0.768 18.597 0.845 493 HG2 GLU 67 2HG GLU 67 1.232 16.255 0.033 494 HG3 GLU 67 3HG GLU 67 -0.093 16.475 -1.108 495 H HIS 68 H HIS 68 -2.576 17.129 3.389 496 HA HIS 68 HA HIS 68 -2.363 19.871 4.299 497 HB2 HIS 68 2HB HIS 68 -4.043 17.530 5.217 498 HB3 HIS 68 3HB HIS 68 -4.031 19.067 6.075 499 HD1 HIS 68 HD1 HIS 68 -5.521 20.871 5.194 500 HD2 HIS 68 HD2 HIS 68 -5.073 17.739 2.505 501 HE1 HIS 68 HE1 HIS 68 -7.164 21.328 3.354 502 HE2 HIS 68 HE2 HIS 68 -6.812 19.470 1.692 503 H HIS 69 H HIS 69 -0.219 20.024 5.030 504 HA HIS 69 HA HIS 69 0.367 18.561 7.538 505 HB2 HIS 69 2HB HIS 69 2.340 19.562 5.466 506 HB3 HIS 69 3HB HIS 69 2.761 18.764 6.978 507 HD1 HIS 69 HD1 HIS 69 2.410 18.036 3.527 508 HD2 HIS 69 HD2 HIS 69 1.463 16.021 7.029 509 HE1 HIS 69 HE1 HIS 69 2.187 15.626 2.872 510 HE2 HIS 69 HE2 HIS 69 1.907 14.413 5.052 511 H HIS 70 H HIS 70 0.160 19.902 9.232 512 HA HIS 70 HA HIS 70 1.388 22.567 9.087 513 HB2 HIS 70 2HB HIS 70 -1.483 21.987 9.753 514 HB3 HIS 70 3HB HIS 70 -0.679 23.397 10.440 515 HD1 HIS 70 HD1 HIS 70 -2.255 22.163 7.345 516 HD2 HIS 70 HD2 HIS 70 0.197 25.314 8.488 517 HE1 HIS 70 HE1 HIS 70 -2.326 23.793 5.442 518 HE2 HIS 70 HE2 HIS 70 -0.969 25.760 6.225 519 H HIS 71 H HIS 71 2.162 20.065 10.395 520 HA HIS 71 HA HIS 71 2.749 21.335 12.972 521 HB2 HIS 71 2HB HIS 71 1.685 18.551 12.595 522 HB3 HIS 71 3HB HIS 71 2.758 18.906 13.943 523 HD1 HIS 71 HD1 HIS 71 -0.424 18.186 13.946 524 HD2 HIS 71 HD2 HIS 71 1.383 21.846 14.728 525 HE1 HIS 71 HE1 HIS 71 -2.063 19.459 15.353 526 HE2 HIS 71 HE2 HIS 71 -0.949 21.664 15.824 527 H HIS 72 H HIS 72 4.854 21.386 13.415 528 HA HIS 72 HA HIS 72 6.745 20.291 11.564 529 HB2 HIS 72 2HB HIS 72 7.113 22.456 12.679 530 HB3 HIS 72 3HB HIS 72 7.194 21.644 14.240 531 HD1 HIS 72 HD1 HIS 72 9.092 21.952 10.993 532 HD2 HIS 72 HD2 HIS 72 9.678 20.625 14.888 533 HE1 HIS 72 HE1 HIS 72 11.552 21.497 11.186 534 HE2 HIS 72 HE2 HIS 72 11.904 20.902 13.601 535 H HIS 73 H HIS 73 6.839 18.090 11.576 536 HA HIS 73 HA HIS 73 6.695 16.480 13.919 537 HB2 HIS 73 2HB HIS 73 6.064 15.730 11.603 538 HB3 HIS 73 3HB HIS 73 7.779 15.667 11.208 539 HD1 HIS 73 HD1 HIS 73 9.203 13.815 12.478 540 HD2 HIS 73 HD2 HIS 73 5.088 13.561 13.001 541 HE1 HIS 73 HE1 HIS 73 8.783 11.527 13.416 542 HE2 HIS 73 HE2 HIS 73 6.282 11.346 13.592 Start of MODEL 13 1 H1 MET 1 1H MET 1 -17.667 10.081 -5.270 2 H2 MET 1 2H MET 1 -18.238 11.307 -4.256 3 H3 MET 1 3H MET 1 -18.024 9.739 -3.651 4 HA MET 1 HA MET 1 -15.871 11.526 -4.632 5 HB2 MET 1 2HB MET 1 -16.805 12.292 -2.503 6 HB3 MET 1 3HB MET 1 -16.610 10.687 -1.815 7 HG2 MET 1 2HG MET 1 -14.873 12.274 -1.088 8 HG3 MET 1 3HG MET 1 -14.214 10.870 -1.926 9 HE1 MET 1 3HE MET 1 -14.594 15.070 -3.827 10 HE2 MET 1 1HE MET 1 -15.093 14.689 -2.180 11 HE3 MET 1 2HE MET 1 -15.993 14.035 -3.548 12 H THR 2 H THR 2 -13.946 10.570 -5.021 13 HA THR 2 HA THR 2 -13.627 7.727 -4.259 14 HB THR 2 HB THR 2 -14.059 7.711 -6.604 15 HG1 THR 2 HG1 THR 2 -12.464 6.289 -6.463 16 HG21 THR 2 3HG2 THR 2 -11.906 9.815 -6.913 17 HG22 THR 2 1HG2 THR 2 -13.640 10.077 -7.102 18 HG23 THR 2 2HG2 THR 2 -12.778 9.029 -8.230 19 H GLN 3 H GLN 3 -11.937 7.372 -2.990 20 HA GLN 3 HA GLN 3 -9.947 9.369 -2.485 21 HB2 GLN 3 2HB GLN 3 -10.006 6.466 -1.607 22 HB3 GLN 3 3HB GLN 3 -8.932 7.706 -0.978 23 HG2 GLN 3 2HG GLN 3 -10.640 7.418 0.620 24 HG3 GLN 3 3HG GLN 3 -10.975 8.942 -0.195 25 HE21 GLN 3 1HE2 GLN 3 -11.645 5.787 -1.584 26 HE22 GLN 3 2HE2 GLN 3 -13.363 5.935 -1.540 27 H LYS 4 H LYS 4 -7.825 9.468 -3.151 28 HA LYS 4 HA LYS 4 -7.068 8.267 -5.578 29 HB2 LYS 4 2HB LYS 4 -5.400 9.595 -3.437 30 HB3 LYS 4 3HB LYS 4 -4.751 9.087 -4.988 31 HG2 LYS 4 2HG LYS 4 -6.951 11.120 -4.593 32 HG3 LYS 4 3HG LYS 4 -5.258 11.487 -4.921 33 HD2 LYS 4 2HD LYS 4 -6.095 11.626 -7.053 34 HD3 LYS 4 3HD LYS 4 -5.683 9.913 -7.015 35 HE2 LYS 4 2HE LYS 4 -8.098 9.520 -6.266 36 HE3 LYS 4 3HE LYS 4 -8.396 11.191 -6.729 37 HZ1 LYS 4 3HZ LYS 4 -7.727 10.684 -8.967 38 HZ2 LYS 4 1HZ LYS 4 -8.937 9.605 -8.489 39 HZ3 LYS 4 2HZ LYS 4 -7.327 9.097 -8.538 40 H PHE 5 H PHE 5 -6.591 7.222 -2.265 41 HA PHE 5 HA PHE 5 -5.453 4.705 -3.299 42 HB2 PHE 5 2HB PHE 5 -4.542 6.145 -0.791 43 HB3 PHE 5 3HB PHE 5 -3.960 4.577 -1.345 44 HD1 PHE 5 HD1 PHE 5 -2.829 4.477 -3.640 45 HD2 PHE 5 HD2 PHE 5 -3.506 8.111 -1.524 46 HE1 PHE 5 HE1 PHE 5 -1.117 5.589 -5.007 47 HE2 PHE 5 HE2 PHE 5 -1.789 9.227 -2.890 48 HZ PHE 5 HZ PHE 5 -0.595 7.966 -4.636 49 H THR 6 H THR 6 -6.591 2.986 -2.735 50 HA THR 6 HA THR 6 -8.023 2.925 -0.166 51 HB THR 6 HB THR 6 -9.753 3.590 -1.737 52 HG1 THR 6 HG1 THR 6 -11.024 2.223 -0.736 53 HG21 THR 6 3HG2 THR 6 -10.356 2.163 -3.660 54 HG22 THR 6 1HG2 THR 6 -8.953 1.145 -3.335 55 HG23 THR 6 2HG2 THR 6 -8.730 2.826 -3.818 56 H LYS 7 H LYS 7 -8.834 0.703 0.345 57 HA LYS 7 HA LYS 7 -6.719 -1.170 0.161 58 HB2 LYS 7 2HB LYS 7 -8.279 -2.708 1.308 59 HB3 LYS 7 3HB LYS 7 -8.198 -1.128 2.076 60 HG2 LYS 7 2HG LYS 7 -10.304 -0.493 0.988 61 HG3 LYS 7 3HG LYS 7 -10.388 -2.086 0.231 62 HD2 LYS 7 2HD LYS 7 -11.806 -1.976 2.224 63 HD3 LYS 7 3HD LYS 7 -10.496 -3.136 2.439 64 HE2 LYS 7 2HE LYS 7 -9.228 -1.426 3.699 65 HE3 LYS 7 3HE LYS 7 -10.595 -0.321 3.533 66 HZ1 LYS 7 3HZ LYS 7 -10.639 -2.947 4.922 67 HZ2 LYS 7 1HZ LYS 7 -11.957 -1.896 4.760 68 HZ3 LYS 7 2HZ LYS 7 -10.613 -1.424 5.671 69 H ASP 8 H ASP 8 -9.488 -0.597 -1.825 70 HA ASP 8 HA ASP 8 -9.812 -3.147 -2.992 71 HB2 ASP 8 2HB ASP 8 -11.509 -1.357 -3.072 72 HB3 ASP 8 3HB ASP 8 -10.459 -0.414 -4.125 73 H MET 9 H MET 9 -7.860 -0.343 -3.976 74 HA MET 9 HA MET 9 -7.055 -1.499 -6.475 75 HB2 MET 9 2HB MET 9 -5.568 0.453 -6.656 76 HB3 MET 9 3HB MET 9 -7.206 0.916 -6.220 77 HG2 MET 9 2HG MET 9 -6.397 0.954 -3.817 78 HG3 MET 9 3HG MET 9 -4.766 0.855 -4.475 79 HE1 MET 9 3HE MET 9 -3.710 2.692 -6.072 80 HE2 MET 9 1HE MET 9 -4.526 4.182 -6.542 81 HE3 MET 9 2HE MET 9 -5.086 2.635 -7.174 82 H THR 10 H THR 10 -4.880 -2.084 -7.086 83 HA THR 10 HA THR 10 -3.629 -3.740 -5.066 84 HB THR 10 HB THR 10 -2.265 -4.647 -6.842 85 HG1 THR 10 HG1 THR 10 -2.446 -3.734 -8.977 86 HG21 THR 10 3HG2 THR 10 -5.081 -4.181 -7.841 87 HG22 THR 10 1HG2 THR 10 -4.582 -5.460 -6.734 88 HG23 THR 10 2HG2 THR 10 -3.988 -5.449 -8.395 89 H PHE 11 H PHE 11 -1.278 -3.794 -4.740 90 HA PHE 11 HA PHE 11 -0.141 -1.377 -3.977 91 HB2 PHE 11 2HB PHE 11 1.171 -4.003 -4.699 92 HB3 PHE 11 3HB PHE 11 2.064 -2.639 -4.041 93 HD1 PHE 11 HD1 PHE 11 -0.445 -5.229 -3.296 94 HD2 PHE 11 HD2 PHE 11 1.866 -2.014 -1.725 95 HE1 PHE 11 HE1 PHE 11 -1.006 -5.946 -1.011 96 HE2 PHE 11 HE2 PHE 11 1.308 -2.732 0.559 97 HZ PHE 11 HZ PHE 11 -0.131 -4.696 0.921 98 H ALA 12 H ALA 12 0.297 -3.146 -7.039 99 HA ALA 12 HA ALA 12 2.220 -1.506 -8.225 100 HB1 ALA 12 3HB ALA 12 1.456 -2.399 -10.361 101 HB2 ALA 12 1HB ALA 12 -0.033 -2.972 -9.607 102 HB3 ALA 12 2HB ALA 12 1.517 -3.675 -9.145 103 H GLN 13 H GLN 13 -1.338 -1.258 -8.399 104 HA GLN 13 HA GLN 13 -1.500 1.010 -10.029 105 HB2 GLN 13 2HB GLN 13 -3.366 0.178 -7.792 106 HB3 GLN 13 3HB GLN 13 -3.747 1.353 -9.044 107 HG2 GLN 13 2HG GLN 13 -3.532 -0.389 -10.747 108 HG3 GLN 13 3HG GLN 13 -3.146 -1.567 -9.495 109 HE21 GLN 13 1HE2 GLN 13 -5.548 0.972 -9.176 110 HE22 GLN 13 2HE2 GLN 13 -6.917 -0.079 -9.130 111 H ALA 14 H ALA 14 -1.356 0.795 -6.475 112 HA ALA 14 HA ALA 14 -1.515 3.525 -5.888 113 HB1 ALA 14 3HB ALA 14 -1.698 1.752 -4.204 114 HB2 ALA 14 1HB ALA 14 -0.498 2.960 -3.746 115 HB3 ALA 14 2HB ALA 14 0.021 1.401 -4.388 116 H LEU 15 H LEU 15 1.388 1.515 -6.406 117 HA LEU 15 HA LEU 15 3.309 3.546 -6.079 118 HB2 LEU 15 2HB LEU 15 3.446 1.009 -7.722 119 HB3 LEU 15 3HB LEU 15 4.829 2.011 -7.319 120 HG LEU 15 HG LEU 15 3.094 0.564 -5.307 121 HD11 LEU 15 1HD1 LEU 15 4.401 -1.000 -6.647 122 HD12 LEU 15 2HD1 LEU 15 5.008 -0.918 -4.994 123 HD13 LEU 15 3HD1 LEU 15 5.872 -0.094 -6.293 124 HD21 LEU 15 3HD2 LEU 15 4.058 2.603 -4.395 125 HD22 LEU 15 1HD2 LEU 15 5.660 2.117 -4.951 126 HD23 LEU 15 2HD2 LEU 15 4.839 1.184 -3.698 127 H GLN 16 H GLN 16 1.508 2.504 -8.941 128 HA GLN 16 HA GLN 16 2.932 4.216 -10.758 129 HB2 GLN 16 2HB GLN 16 0.331 2.704 -10.992 130 HB3 GLN 16 3HB GLN 16 0.990 3.678 -12.301 131 HG2 GLN 16 2HG GLN 16 2.377 1.324 -11.018 132 HG3 GLN 16 3HG GLN 16 1.492 1.282 -12.542 133 HE21 GLN 16 1HE2 GLN 16 4.389 2.336 -10.944 134 HE22 GLN 16 2HE2 GLN 16 5.261 2.754 -12.374 135 H THR 17 H THR 17 0.201 4.635 -8.642 136 HA THR 17 HA THR 17 -0.842 6.981 -9.917 137 HB THR 17 HB THR 17 -1.229 6.018 -7.066 138 HG1 THR 17 HG1 THR 17 -2.079 4.586 -8.631 139 HG21 THR 17 3HG2 THR 17 -1.714 8.416 -7.263 140 HG22 THR 17 1HG2 THR 17 -3.201 7.492 -7.041 141 HG23 THR 17 2HG2 THR 17 -2.769 8.098 -8.640 142 H HIS 18 H HIS 18 1.101 6.519 -6.936 143 HA HIS 18 HA HIS 18 2.529 8.997 -7.548 144 HB2 HIS 18 2HB HIS 18 1.093 8.559 -4.918 145 HB3 HIS 18 3HB HIS 18 2.328 9.790 -5.168 146 HD1 HIS 18 HD1 HIS 18 1.363 10.829 -7.951 147 HD2 HIS 18 HD2 HIS 18 -1.090 10.164 -4.673 148 HE1 HIS 18 HE1 HIS 18 -0.644 12.291 -8.303 149 HE2 HIS 18 HE2 HIS 18 -2.008 12.024 -6.213 150 HA PRO 19 HA PRO 19 5.968 6.424 -6.475 151 HB2 PRO 19 2HB PRO 19 7.373 8.971 -5.862 152 HB3 PRO 19 3HB PRO 19 7.790 7.705 -7.023 153 HG2 PRO 19 2HG PRO 19 6.813 10.043 -7.855 154 HG3 PRO 19 3HG PRO 19 6.338 8.524 -8.642 155 HD2 PRO 19 2HD PRO 19 4.818 10.178 -6.643 156 HD3 PRO 19 3HD PRO 19 4.232 9.365 -8.110 157 H GLY 20 H GLY 20 5.072 9.051 -4.268 158 HA2 GLY 20 2HA GLY 20 6.688 8.460 -2.084 159 HA3 GLY 20 3HA GLY 20 5.117 9.233 -1.979 160 H VAL 21 H VAL 21 3.902 6.713 -3.195 161 HA VAL 21 HA VAL 21 2.997 5.493 -0.867 162 HB VAL 21 HB VAL 21 3.151 4.306 -3.649 163 HG11 VAL 21 1HG1 VAL 21 2.790 2.552 -1.992 164 HG12 VAL 21 2HG1 VAL 21 1.325 2.826 -2.935 165 HG13 VAL 21 3HG1 VAL 21 1.451 3.466 -1.296 166 HG21 VAL 21 3HG2 VAL 21 0.842 5.078 -3.873 167 HG22 VAL 21 1HG2 VAL 21 1.936 6.425 -3.560 168 HG23 VAL 21 2HG2 VAL 21 0.918 5.797 -2.263 169 H ALA 22 H ALA 22 5.768 4.656 -2.893 170 HA ALA 22 HA ALA 22 6.406 2.150 -1.840 171 HB1 ALA 22 3HB ALA 22 8.665 2.537 -2.669 172 HB2 ALA 22 1HB ALA 22 8.328 4.261 -2.826 173 HB3 ALA 22 2HB ALA 22 7.470 3.099 -3.838 174 H GLY 23 H GLY 23 7.297 5.381 -0.674 175 HA2 GLY 23 2HA GLY 23 9.005 4.553 1.428 176 HA3 GLY 23 3HA GLY 23 8.181 6.102 1.321 177 H VAL 24 H VAL 24 5.529 5.325 1.391 178 HA VAL 24 HA VAL 24 5.028 4.939 4.135 179 HB VAL 24 HB VAL 24 3.112 4.450 1.839 180 HG11 VAL 24 1HG1 VAL 24 2.291 3.552 3.959 181 HG12 VAL 24 2HG1 VAL 24 1.361 4.974 3.486 182 HG13 VAL 24 3HG1 VAL 24 2.589 5.103 4.746 183 HG21 VAL 24 3HG2 VAL 24 4.112 6.679 1.691 184 HG22 VAL 24 1HG2 VAL 24 3.676 6.996 3.372 185 HG23 VAL 24 2HG2 VAL 24 2.415 6.784 2.159 186 H LEU 25 H LEU 25 4.749 2.665 1.399 187 HA LEU 25 HA LEU 25 3.853 0.423 2.805 188 HB2 LEU 25 2HB LEU 25 5.657 0.526 0.378 189 HB3 LEU 25 3HB LEU 25 4.813 -0.906 0.943 190 HG LEU 25 HG LEU 25 3.508 1.625 -0.087 191 HD11 LEU 25 1HD1 LEU 25 2.804 0.241 -1.973 192 HD12 LEU 25 2HD1 LEU 25 3.710 -1.125 -1.319 193 HD13 LEU 25 3HD1 LEU 25 4.562 0.324 -1.859 194 HD21 LEU 25 3HD2 LEU 25 2.255 -0.975 0.808 195 HD22 LEU 25 1HD2 LEU 25 1.407 0.384 0.068 196 HD23 LEU 25 2HD2 LEU 25 2.157 0.570 1.653 197 H ARG 26 H ARG 26 7.230 1.271 1.950 198 HA ARG 26 HA ARG 26 8.495 -0.787 3.361 199 HB2 ARG 26 2HB ARG 26 9.446 2.024 2.759 200 HB3 ARG 26 3HB ARG 26 10.483 0.760 3.412 201 HG2 ARG 26 2HG ARG 26 10.101 -0.595 1.410 202 HG3 ARG 26 3HG ARG 26 9.049 0.664 0.758 203 HD2 ARG 26 2HD ARG 26 11.301 0.775 -0.204 204 HD3 ARG 26 3HD ARG 26 10.911 2.230 0.713 205 HE ARG 26 HE ARG 26 12.290 0.310 2.308 206 HH11 ARG 26 1HH1 ARG 26 12.757 2.728 -0.098 207 HH12 ARG 26 2HH1 ARG 26 14.380 3.065 0.392 208 HH21 ARG 26 1HH2 ARG 26 14.372 0.758 2.945 209 HH22 ARG 26 2HH2 ARG 26 15.288 1.953 2.097 210 H SER 27 H SER 27 7.424 2.398 4.466 211 HA SER 27 HA SER 27 8.510 2.346 7.057 212 HB2 SER 27 2HB SER 27 7.546 4.374 6.018 213 HB3 SER 27 3HB SER 27 5.936 3.669 6.139 214 HG SER 27 HG SER 27 5.916 4.613 8.023 215 H TYR 28 H TYR 28 5.646 0.812 5.745 216 HA TYR 28 HA TYR 28 4.886 -0.129 8.437 217 HB2 TYR 28 2HB TYR 28 3.307 0.273 5.908 218 HB3 TYR 28 3HB TYR 28 2.711 -0.798 7.172 219 HD1 TYR 28 HD1 TYR 28 2.253 0.134 9.453 220 HD2 TYR 28 HD2 TYR 28 3.108 2.647 6.120 221 HE1 TYR 28 HE1 TYR 28 1.289 2.047 10.654 222 HE2 TYR 28 HE2 TYR 28 2.149 4.569 7.324 223 HH TYR 28 HH TYR 28 0.339 4.804 9.277 224 H ASN 29 H ASN 29 7.077 -1.372 6.958 225 HA ASN 29 HA ASN 29 7.910 -3.488 6.787 226 HB2 ASN 29 2HB ASN 29 6.706 -3.866 8.892 227 HB3 ASN 29 3HB ASN 29 5.249 -4.277 8.007 228 HD21 ASN 29 1HD2 ASN 29 8.496 -5.306 8.785 229 HD22 ASN 29 2HD2 ASN 29 8.251 -6.975 8.428 230 H LEU 30 H LEU 30 5.730 -2.326 4.772 231 HA LEU 30 HA LEU 30 5.149 -4.790 3.296 232 HB2 LEU 30 2HB LEU 30 4.304 -1.923 2.856 233 HB3 LEU 30 3HB LEU 30 3.860 -3.244 1.790 234 HG LEU 30 HG LEU 30 3.126 -3.118 4.722 235 HD11 LEU 30 1HD1 LEU 30 0.883 -2.523 4.003 236 HD12 LEU 30 2HD1 LEU 30 1.409 -2.490 2.321 237 HD13 LEU 30 3HD1 LEU 30 2.044 -1.309 3.464 238 HD21 LEU 30 3HD2 LEU 30 3.243 -5.387 3.804 239 HD22 LEU 30 1HD2 LEU 30 2.151 -4.920 2.499 240 HD23 LEU 30 2HD2 LEU 30 1.581 -4.925 4.168 241 H GLY 31 H GLY 31 7.906 -3.561 3.548 242 HA2 GLY 31 2HA GLY 31 8.566 -2.628 0.894 243 HA3 GLY 31 3HA GLY 31 9.701 -3.000 2.182 244 H CYS 32 H CYS 32 7.900 -5.673 2.080 245 HA CYS 32 HA CYS 32 9.731 -7.041 0.227 246 HB2 CYS 32 2HB CYS 32 9.575 -7.846 2.581 247 HB3 CYS 32 3HB CYS 32 7.882 -8.241 2.304 248 HG CYS 32 HG CYS 32 8.231 -10.471 0.977 249 H ILE 33 H ILE 33 7.045 -5.540 -0.336 250 HA ILE 33 HA ILE 33 5.107 -7.349 -1.202 251 HB ILE 33 HB ILE 33 4.383 -5.549 -2.810 252 HG12 ILE 33 2HG1 ILE 33 6.698 -4.032 -1.566 253 HG13 ILE 33 3HG1 ILE 33 6.616 -4.576 -3.237 254 HG21 ILE 33 1HG2 ILE 33 3.482 -5.700 -0.563 255 HG22 ILE 33 2HG2 ILE 33 3.660 -4.013 -1.041 256 HG23 ILE 33 3HG2 ILE 33 4.824 -4.745 0.064 257 HD11 ILE 33 3HD1 ILE 33 6.116 -2.204 -3.029 258 HD12 ILE 33 1HD1 ILE 33 4.769 -2.576 -1.953 259 HD13 ILE 33 2HD1 ILE 33 4.725 -3.102 -3.638 260 H GLY 34 H GLY 34 8.012 -6.224 -2.873 261 HA2 GLY 34 2HA GLY 34 7.409 -7.334 -5.417 262 HA3 GLY 34 3HA GLY 34 9.011 -6.919 -4.830 263 H CYS 35 H CYS 35 8.915 -8.723 -2.543 264 HA CYS 35 HA CYS 35 9.768 -11.128 -3.874 265 HB2 CYS 35 2HB CYS 35 10.950 -10.290 -1.899 266 HB3 CYS 35 3HB CYS 35 9.505 -10.521 -0.922 267 HG CYS 35 HG CYS 35 11.392 -12.986 -2.367 268 H MET 36 H MET 36 6.918 -10.180 -2.022 269 HA MET 36 HA MET 36 5.890 -12.918 -2.041 270 HB2 MET 36 2HB MET 36 4.014 -12.017 -0.724 271 HB3 MET 36 3HB MET 36 5.571 -11.624 -0.008 272 HG2 MET 36 2HG MET 36 5.430 -9.365 -0.894 273 HG3 MET 36 3HG MET 36 3.897 -9.751 -1.672 274 HE1 MET 36 3HE MET 36 2.417 -11.519 0.524 275 HE2 MET 36 1HE MET 36 1.644 -10.213 -0.376 276 HE3 MET 36 2HE MET 36 1.515 -10.273 1.383 277 H GLY 37 H GLY 37 6.035 -10.709 -4.383 278 HA2 GLY 37 2HA GLY 37 4.900 -10.418 -6.365 279 HA3 GLY 37 3HA GLY 37 3.989 -11.862 -5.962 280 H ALA 38 H ALA 38 3.974 -9.032 -3.897 281 HA ALA 38 HA ALA 38 1.107 -8.983 -3.958 282 HB1 ALA 38 3HB ALA 38 2.324 -8.607 -1.888 283 HB2 ALA 38 1HB ALA 38 1.298 -7.226 -2.272 284 HB3 ALA 38 2HB ALA 38 3.038 -7.140 -2.556 285 H GLN 39 H GLN 39 3.183 -7.725 -6.166 286 HA GLN 39 HA GLN 39 2.375 -5.082 -6.567 287 HB2 GLN 39 2HB GLN 39 3.155 -7.156 -8.624 288 HB3 GLN 39 3HB GLN 39 3.030 -5.432 -8.945 289 HG2 GLN 39 2HG GLN 39 4.932 -6.715 -6.983 290 HG3 GLN 39 3HG GLN 39 5.347 -6.152 -8.601 291 HE21 GLN 39 1HE2 GLN 39 4.515 -5.187 -5.362 292 HE22 GLN 39 2HE2 GLN 39 4.982 -3.535 -5.528 293 H ASN 40 H ASN 40 0.925 -8.075 -7.808 294 HA ASN 40 HA ASN 40 -1.310 -6.607 -9.004 295 HB2 ASN 40 2HB ASN 40 -0.760 -9.587 -8.951 296 HB3 ASN 40 3HB ASN 40 -1.955 -8.761 -9.950 297 HD21 ASN 40 1HD2 ASN 40 0.421 -10.428 -10.601 298 HD22 ASN 40 2HD2 ASN 40 1.334 -9.468 -11.707 299 H GLU 41 H GLU 41 -0.818 -6.979 -6.011 300 HA GLU 41 HA GLU 41 -3.320 -8.366 -5.270 301 HB2 GLU 41 2HB GLU 41 -1.263 -9.450 -4.462 302 HB3 GLU 41 3HB GLU 41 -0.780 -7.957 -3.672 303 HG2 GLU 41 2HG GLU 41 -2.585 -8.123 -2.107 304 HG3 GLU 41 3HG GLU 41 -3.278 -9.489 -2.982 305 H SER 42 H SER 42 -4.731 -7.373 -3.816 306 HA SER 42 HA SER 42 -4.764 -4.522 -3.844 307 HB2 SER 42 2HB SER 42 -6.487 -6.483 -2.301 308 HB3 SER 42 3HB SER 42 -6.794 -4.750 -2.406 309 HG SER 42 HG SER 42 -7.522 -4.984 -4.374 310 H LEU 43 H LEU 43 -4.686 -3.057 -2.100 311 HA LEU 43 HA LEU 43 -2.472 -3.288 -0.459 312 HB2 LEU 43 2HB LEU 43 -4.892 -1.519 -0.119 313 HB3 LEU 43 3HB LEU 43 -3.400 -1.325 0.786 314 HG LEU 43 HG LEU 43 -3.678 -1.069 -2.220 315 HD11 LEU 43 1HD1 LEU 43 -3.237 1.037 -0.102 316 HD12 LEU 43 2HD1 LEU 43 -4.714 0.791 -1.033 317 HD13 LEU 43 3HD1 LEU 43 -3.238 1.305 -1.847 318 HD21 LEU 43 3HD2 LEU 43 -1.365 -0.271 -2.154 319 HD22 LEU 43 1HD2 LEU 43 -1.486 -1.934 -1.581 320 HD23 LEU 43 2HD2 LEU 43 -1.290 -0.615 -0.425 321 H GLU 44 H GLU 44 -5.872 -3.911 0.454 322 HA GLU 44 HA GLU 44 -5.373 -4.274 3.212 323 HB2 GLU 44 2HB GLU 44 -7.629 -3.886 2.271 324 HB3 GLU 44 3HB GLU 44 -7.599 -5.497 1.564 325 HG2 GLU 44 2HG GLU 44 -7.434 -6.472 3.813 326 HG3 GLU 44 3HG GLU 44 -7.484 -4.853 4.508 327 H GLN 45 H GLN 45 -5.643 -6.675 0.586 328 HA GLN 45 HA GLN 45 -5.324 -8.973 2.136 329 HB2 GLN 45 2HB GLN 45 -4.578 -8.458 -0.752 330 HB3 GLN 45 3HB GLN 45 -4.550 -10.051 -0.004 331 HG2 GLN 45 2HG GLN 45 -6.940 -9.905 0.451 332 HG3 GLN 45 3HG GLN 45 -6.985 -8.288 -0.247 333 HE21 GLN 45 1HE2 GLN 45 -6.949 -8.057 -2.460 334 HE22 GLN 45 2HE2 GLN 45 -7.139 -9.380 -3.549 335 H GLY 46 H GLY 46 -2.842 -6.930 0.613 336 HA2 GLY 46 2HA GLY 46 -0.614 -8.466 1.522 337 HA3 GLY 46 3HA GLY 46 -0.568 -6.797 0.973 338 H ALA 47 H ALA 47 -2.317 -5.654 2.864 339 HA ALA 47 HA ALA 47 -0.642 -5.075 5.009 340 HB1 ALA 47 3HB ALA 47 -2.494 -3.635 4.328 341 HB2 ALA 47 1HB ALA 47 -2.589 -4.016 6.048 342 HB3 ALA 47 2HB ALA 47 -3.650 -4.838 4.903 343 H ASN 48 H ASN 48 -3.558 -7.162 5.069 344 HA ASN 48 HA ASN 48 -3.208 -8.032 7.724 345 HB2 ASN 48 2HB ASN 48 -4.667 -9.384 5.441 346 HB3 ASN 48 3HB ASN 48 -4.792 -9.861 7.134 347 HD21 ASN 48 1HD2 ASN 48 -5.791 -7.613 4.738 348 HD22 ASN 48 2HD2 ASN 48 -6.868 -6.711 5.741 349 H ALA 49 H ALA 49 -1.870 -9.270 4.704 350 HA ALA 49 HA ALA 49 -0.825 -11.703 5.666 351 HB1 ALA 49 3HB ALA 49 0.718 -11.602 3.774 352 HB2 ALA 49 1HB ALA 49 0.310 -9.905 3.519 353 HB3 ALA 49 2HB ALA 49 -0.915 -11.153 3.285 354 H HIS 50 H HIS 50 0.261 -8.409 6.040 355 HA HIS 50 HA HIS 50 2.675 -9.323 7.471 356 HB2 HIS 50 2HB HIS 50 1.950 -6.608 6.337 357 HB3 HIS 50 3HB HIS 50 3.393 -6.919 7.298 358 HD1 HIS 50 HD1 HIS 50 5.374 -7.148 5.850 359 HD2 HIS 50 HD2 HIS 50 1.971 -8.673 4.018 360 HE1 HIS 50 HE1 HIS 50 6.142 -8.016 3.629 361 HE2 HIS 50 HE2 HIS 50 4.116 -9.147 2.655 362 H GLY 51 H GLY 51 -0.290 -9.091 8.369 363 HA2 GLY 51 2HA GLY 51 -1.382 -8.709 10.352 364 HA3 GLY 51 3HA GLY 51 0.207 -8.634 11.091 365 H LEU 52 H LEU 52 -1.203 -6.444 8.675 366 HA LEU 52 HA LEU 52 -0.663 -4.201 10.512 367 HB2 LEU 52 2HB LEU 52 -0.997 -4.182 7.511 368 HB3 LEU 52 3HB LEU 52 -0.537 -2.815 8.509 369 HG LEU 52 HG LEU 52 1.117 -5.326 8.192 370 HD11 LEU 52 1HD1 LEU 52 2.568 -3.958 6.775 371 HD12 LEU 52 2HD1 LEU 52 1.416 -2.626 6.880 372 HD13 LEU 52 3HD1 LEU 52 0.956 -4.133 6.084 373 HD21 LEU 52 3HD2 LEU 52 1.745 -2.649 9.453 374 HD22 LEU 52 1HD2 LEU 52 2.891 -3.973 9.227 375 HD23 LEU 52 2HD2 LEU 52 1.512 -4.176 10.306 376 H ASN 53 H ASN 53 -2.055 -2.268 10.221 377 HA ASN 53 HA ASN 53 -4.892 -2.986 9.921 378 HB2 ASN 53 2HB ASN 53 -4.364 -1.991 12.054 379 HB3 ASN 53 3HB ASN 53 -3.507 -0.662 11.283 380 HD21 ASN 53 1HD2 ASN 53 -4.815 0.810 12.401 381 HD22 ASN 53 2HD2 ASN 53 -6.446 1.121 11.914 382 H VAL 54 H VAL 54 -5.465 -2.752 7.821 383 HA VAL 54 HA VAL 54 -4.234 -1.136 5.922 384 HB VAL 54 HB VAL 54 -5.666 -3.035 5.335 385 HG11 VAL 54 1HG1 VAL 54 -8.118 -2.817 5.336 386 HG12 VAL 54 2HG1 VAL 54 -7.971 -1.272 6.177 387 HG13 VAL 54 3HG1 VAL 54 -7.444 -2.758 6.966 388 HG21 VAL 54 3HG2 VAL 54 -5.186 -1.356 3.626 389 HG22 VAL 54 1HG2 VAL 54 -6.616 -0.442 4.108 390 HG23 VAL 54 2HG2 VAL 54 -6.792 -2.046 3.398 391 H GLU 55 H GLU 55 -6.892 -0.336 8.103 392 HA GLU 55 HA GLU 55 -7.870 1.939 6.783 393 HB2 GLU 55 2HB GLU 55 -7.822 1.325 9.747 394 HB3 GLU 55 3HB GLU 55 -8.780 2.598 9.002 395 HG2 GLU 55 2HG GLU 55 -9.057 -0.366 8.505 396 HG3 GLU 55 3HG GLU 55 -10.143 0.641 9.462 397 H ASP 56 H ASP 56 -5.188 1.603 9.078 398 HA ASP 56 HA ASP 56 -4.684 4.421 9.261 399 HB2 ASP 56 2HB ASP 56 -3.997 2.661 10.972 400 HB3 ASP 56 3HB ASP 56 -2.711 2.207 9.858 401 H ILE 57 H ILE 57 -3.313 1.739 7.380 402 HA ILE 57 HA ILE 57 -1.240 3.080 6.083 403 HB ILE 57 HB ILE 57 -3.013 0.907 4.940 404 HG12 ILE 57 2HG1 ILE 57 -0.383 0.734 6.440 405 HG13 ILE 57 3HG1 ILE 57 -1.961 0.259 7.065 406 HG21 ILE 57 1HG2 ILE 57 -1.758 2.023 3.178 407 HG22 ILE 57 2HG2 ILE 57 -1.113 0.405 3.455 408 HG23 ILE 57 3HG2 ILE 57 -0.259 1.814 4.086 409 HD11 ILE 57 3HD1 ILE 57 -0.509 -1.019 4.755 410 HD12 ILE 57 1HD1 ILE 57 -2.102 -1.482 5.355 411 HD13 ILE 57 2HD1 ILE 57 -0.683 -1.677 6.383 412 H LEU 58 H LEU 58 -4.645 2.735 5.036 413 HA LEU 58 HA LEU 58 -4.486 4.264 2.692 414 HB2 LEU 58 2HB LEU 58 -6.849 3.993 4.564 415 HB3 LEU 58 3HB LEU 58 -6.921 4.531 2.896 416 HG LEU 58 HG LEU 58 -6.196 1.763 3.871 417 HD11 LEU 58 1HD1 LEU 58 -8.559 2.782 2.291 418 HD12 LEU 58 2HD1 LEU 58 -8.576 2.219 3.963 419 HD13 LEU 58 3HD1 LEU 58 -8.223 1.089 2.658 420 HD21 LEU 58 3HD2 LEU 58 -6.041 1.147 1.500 421 HD22 LEU 58 1HD2 LEU 58 -4.818 2.335 1.952 422 HD23 LEU 58 2HD2 LEU 58 -6.247 2.841 1.050 423 H ARG 59 H ARG 59 -5.038 5.248 6.043 424 HA ARG 59 HA ARG 59 -5.622 7.950 5.699 425 HB2 ARG 59 2HB ARG 59 -5.770 6.874 7.871 426 HB3 ARG 59 3HB ARG 59 -4.038 6.570 7.882 427 HG2 ARG 59 2HG ARG 59 -3.704 9.066 7.873 428 HG3 ARG 59 3HG ARG 59 -5.444 9.225 8.123 429 HD2 ARG 59 2HD ARG 59 -4.254 9.364 10.247 430 HD3 ARG 59 3HD ARG 59 -5.263 7.919 10.194 431 HE ARG 59 HE ARG 59 -3.198 6.652 9.726 432 HH11 ARG 59 1HH1 ARG 59 -2.927 9.757 11.212 433 HH12 ARG 59 2HH1 ARG 59 -1.366 9.418 11.876 434 HH21 ARG 59 1HH2 ARG 59 -1.219 6.222 10.620 435 HH22 ARG 59 2HH2 ARG 59 -0.424 7.436 11.563 436 H ASP 60 H ASP 60 -2.421 6.419 6.094 437 HA ASP 60 HA ASP 60 -0.978 8.868 5.840 438 HB2 ASP 60 2HB ASP 60 -0.272 6.678 7.014 439 HB3 ASP 60 3HB ASP 60 0.197 6.124 5.410 440 H LEU 61 H LEU 61 -1.962 6.365 3.571 441 HA LEU 61 HA LEU 61 -0.290 7.105 1.410 442 HB2 LEU 61 2HB LEU 61 -2.922 5.640 1.499 443 HB3 LEU 61 3HB LEU 61 -2.031 5.896 0.010 444 HG LEU 61 HG LEU 61 -1.028 4.352 2.412 445 HD11 LEU 61 1HD1 LEU 61 -2.788 3.147 1.256 446 HD12 LEU 61 2HD1 LEU 61 -1.227 2.395 0.931 447 HD13 LEU 61 3HD1 LEU 61 -1.987 3.412 -0.293 448 HD21 LEU 61 3HD2 LEU 61 0.776 5.476 1.199 449 HD22 LEU 61 1HD2 LEU 61 0.211 4.761 -0.311 450 HD23 LEU 61 2HD2 LEU 61 0.843 3.729 0.973 451 H ASN 62 H ASN 62 -3.748 7.922 1.999 452 HA ASN 62 HA ASN 62 -3.940 9.608 -0.277 453 HB2 ASN 62 2HB ASN 62 -5.639 9.444 2.218 454 HB3 ASN 62 3HB ASN 62 -6.009 10.522 0.874 455 HD21 ASN 62 1HD2 ASN 62 -5.944 7.239 1.962 456 HD22 ASN 62 2HD2 ASN 62 -6.770 6.564 0.606 457 H ALA 63 H ALA 63 -2.749 10.153 2.938 458 HA ALA 63 HA ALA 63 -2.757 12.955 3.030 459 HB1 ALA 63 3HB ALA 63 -2.204 11.498 4.944 460 HB2 ALA 63 1HB ALA 63 -0.998 12.760 4.684 461 HB3 ALA 63 2HB ALA 63 -0.664 11.103 4.176 462 H LEU 64 H LEU 64 -0.762 10.751 1.199 463 HA LEU 64 HA LEU 64 1.374 12.482 0.535 464 HB2 LEU 64 2HB LEU 64 0.155 10.203 -1.034 465 HB3 LEU 64 3HB LEU 64 1.676 10.978 -1.433 466 HG LEU 64 HG LEU 64 1.160 9.530 1.171 467 HD11 LEU 64 1HD1 LEU 64 2.517 7.713 0.228 468 HD12 LEU 64 2HD1 LEU 64 2.551 8.550 -1.324 469 HD13 LEU 64 3HD1 LEU 64 1.022 7.953 -0.676 470 HD21 LEU 64 3HD2 LEU 64 3.576 9.626 1.436 471 HD22 LEU 64 1HD2 LEU 64 2.922 11.253 1.250 472 HD23 LEU 64 2HD2 LEU 64 3.735 10.469 -0.104 473 H ALA 65 H ALA 65 -1.872 12.172 -0.741 474 HA ALA 65 HA ALA 65 -1.359 13.899 -3.024 475 HB1 ALA 65 3HB ALA 65 -2.904 12.012 -3.244 476 HB2 ALA 65 1HB ALA 65 -3.719 13.544 -3.556 477 HB3 ALA 65 2HB ALA 65 -3.951 12.719 -2.013 478 H LEU 66 H LEU 66 -3.247 14.041 -0.007 479 HA LEU 66 HA LEU 66 -4.214 16.695 -0.447 480 HB2 LEU 66 2HB LEU 66 -4.049 15.110 2.122 481 HB3 LEU 66 3HB LEU 66 -5.001 16.563 1.878 482 HG LEU 66 HG LEU 66 -5.444 13.917 0.478 483 HD11 LEU 66 1HD1 LEU 66 -7.018 15.275 2.665 484 HD12 LEU 66 2HD1 LEU 66 -6.041 13.815 2.833 485 HD13 LEU 66 3HD1 LEU 66 -7.487 13.797 1.822 486 HD21 LEU 66 3HD2 LEU 66 -6.072 15.800 -0.938 487 HD22 LEU 66 1HD2 LEU 66 -7.040 16.481 0.369 488 HD23 LEU 66 2HD2 LEU 66 -7.503 14.946 -0.367 489 H GLU 67 H GLU 67 -1.487 15.355 1.355 490 HA GLU 67 HA GLU 67 0.229 16.242 2.523 491 HB2 GLU 67 2HB GLU 67 -0.275 18.566 0.660 492 HB3 GLU 67 3HB GLU 67 1.104 18.478 1.749 493 HG2 GLU 67 2HG GLU 67 1.826 16.401 0.631 494 HG3 GLU 67 3HG GLU 67 0.473 16.553 -0.489 495 H HIS 68 H HIS 68 -1.477 19.321 2.101 496 HA HIS 68 HA HIS 68 -1.900 20.982 3.588 497 HB2 HIS 68 2HB HIS 68 -3.807 20.539 5.008 498 HB3 HIS 68 3HB HIS 68 -4.001 19.735 3.460 499 HD1 HIS 68 HD1 HIS 68 -3.949 19.133 7.081 500 HD2 HIS 68 HD2 HIS 68 -3.760 16.855 3.610 501 HE1 HIS 68 HE1 HIS 68 -4.440 16.781 7.795 502 HE2 HIS 68 HE2 HIS 68 -4.480 15.454 5.666 503 H HIS 69 H HIS 69 -0.551 21.940 4.877 504 HA HIS 69 HA HIS 69 1.455 21.215 6.377 505 HB2 HIS 69 2HB HIS 69 0.848 23.140 8.015 506 HB3 HIS 69 3HB HIS 69 1.094 23.503 6.311 507 HD1 HIS 69 HD1 HIS 69 -0.765 24.654 5.120 508 HD2 HIS 69 HD2 HIS 69 -1.997 23.060 8.757 509 HE1 HIS 69 HE1 HIS 69 -3.096 25.503 5.469 510 HE2 HIS 69 HE2 HIS 69 -3.856 24.469 7.628 511 H HIS 70 H HIS 70 1.936 19.848 7.942 512 HA HIS 70 HA HIS 70 -0.193 18.427 9.288 513 HB2 HIS 70 2HB HIS 70 1.913 17.443 8.168 514 HB3 HIS 70 3HB HIS 70 2.776 17.956 9.611 515 HD1 HIS 70 HD1 HIS 70 0.131 15.538 8.466 516 HD2 HIS 70 HD2 HIS 70 2.472 16.288 11.812 517 HE1 HIS 70 HE1 HIS 70 -0.180 13.550 9.956 518 HE2 HIS 70 HE2 HIS 70 1.408 13.928 11.867 519 H HIS 71 H HIS 71 0.082 21.127 10.237 520 HA HIS 71 HA HIS 71 1.403 20.959 12.835 521 HB2 HIS 71 2HB HIS 71 -0.148 23.224 11.554 522 HB3 HIS 71 3HB HIS 71 0.698 23.323 13.092 523 HD1 HIS 71 HD1 HIS 71 1.136 24.484 9.892 524 HD2 HIS 71 HD2 HIS 71 3.626 22.363 12.442 525 HE1 HIS 71 HE1 HIS 71 3.460 24.916 9.064 526 HE2 HIS 71 HE2 HIS 71 4.946 23.839 10.777 527 H HIS 72 H HIS 72 0.218 19.543 14.076 528 HA HIS 72 HA HIS 72 -2.607 20.237 14.611 529 HB2 HIS 72 2HB HIS 72 -2.427 18.001 13.708 530 HB3 HIS 72 3HB HIS 72 -1.149 17.590 14.844 531 HD1 HIS 72 HD1 HIS 72 -4.867 18.100 14.648 532 HD2 HIS 72 HD2 HIS 72 -2.019 16.770 17.369 533 HE1 HIS 72 HE1 HIS 72 -6.164 17.063 16.525 534 HE2 HIS 72 HE2 HIS 72 -4.423 16.108 18.063 535 H HIS 73 H HIS 73 -2.663 21.513 16.386 536 HA HIS 73 HA HIS 73 -0.761 21.215 18.536 537 HB2 HIS 73 2HB HIS 73 -1.933 23.093 19.604 538 HB3 HIS 73 3HB HIS 73 -1.534 23.452 17.931 539 HD1 HIS 73 HD1 HIS 73 -3.527 23.685 16.263 540 HD2 HIS 73 HD2 HIS 73 -4.657 23.034 20.208 541 HE1 HIS 73 HE1 HIS 73 -5.973 24.225 16.361 542 HE2 HIS 73 HE2 HIS 73 -6.595 23.975 18.782 Start of MODEL 14 1 H1 MET 1 1H MET 1 -18.306 10.847 0.553 2 H2 MET 1 2H MET 1 -18.230 11.794 1.951 3 H3 MET 1 3H MET 1 -18.162 10.108 2.069 4 HA MET 1 HA MET 1 -16.135 11.854 0.789 5 HB2 MET 1 2HB MET 1 -16.039 10.253 3.362 6 HB3 MET 1 3HB MET 1 -14.678 11.114 2.660 7 HG2 MET 1 2HG MET 1 -15.769 13.228 3.003 8 HG3 MET 1 3HG MET 1 -17.238 12.422 3.556 9 HE1 MET 1 3HE MET 1 -15.994 10.766 6.907 10 HE2 MET 1 1HE MET 1 -15.971 10.037 5.302 11 HE3 MET 1 2HE MET 1 -17.366 10.983 5.823 12 H THR 2 H THR 2 -14.227 10.745 0.050 13 HA THR 2 HA THR 2 -14.328 7.821 -0.103 14 HB THR 2 HB THR 2 -15.446 8.567 -2.180 15 HG1 THR 2 HG1 THR 2 -13.508 7.605 -3.567 16 HG21 THR 2 3HG2 THR 2 -14.146 9.731 -3.918 17 HG22 THR 2 1HG2 THR 2 -12.809 9.924 -2.784 18 HG23 THR 2 2HG2 THR 2 -14.348 10.733 -2.482 19 H GLN 3 H GLN 3 -12.239 7.087 -1.414 20 HA GLN 3 HA GLN 3 -9.945 8.792 -0.688 21 HB2 GLN 3 2HB GLN 3 -10.225 5.846 -0.013 22 HB3 GLN 3 3HB GLN 3 -8.754 6.791 0.188 23 HG2 GLN 3 2HG GLN 3 -9.847 8.195 1.839 24 HG3 GLN 3 3HG GLN 3 -11.364 7.331 1.597 25 HE21 GLN 3 1HE2 GLN 3 -8.250 5.726 1.676 26 HE22 GLN 3 2HE2 GLN 3 -8.506 4.915 3.175 27 H LYS 4 H LYS 4 -8.524 8.961 -2.347 28 HA LYS 4 HA LYS 4 -8.887 7.528 -4.780 29 HB2 LYS 4 2HB LYS 4 -6.502 9.157 -3.859 30 HB3 LYS 4 3HB LYS 4 -6.764 8.581 -5.501 31 HG2 LYS 4 2HG LYS 4 -8.930 9.896 -5.482 32 HG3 LYS 4 3HG LYS 4 -8.362 10.627 -3.980 33 HD2 LYS 4 2HD LYS 4 -7.829 12.084 -5.841 34 HD3 LYS 4 3HD LYS 4 -6.337 11.422 -5.169 35 HE2 LYS 4 2HE LYS 4 -6.206 9.796 -6.963 36 HE3 LYS 4 3HE LYS 4 -7.758 10.328 -7.605 37 HZ1 LYS 4 3HZ LYS 4 -5.335 12.035 -7.420 38 HZ2 LYS 4 1HZ LYS 4 -6.806 12.447 -8.151 39 HZ3 LYS 4 2HZ LYS 4 -5.841 11.231 -8.818 40 H PHE 5 H PHE 5 -6.606 7.214 -2.100 41 HA PHE 5 HA PHE 5 -5.683 4.631 -3.127 42 HB2 PHE 5 2HB PHE 5 -4.906 6.175 -0.634 43 HB3 PHE 5 3HB PHE 5 -4.211 4.630 -1.110 44 HD1 PHE 5 HD2 PHE 5 -4.440 8.209 -1.944 45 HD2 PHE 5 HD1 PHE 5 -2.574 4.491 -2.858 46 HE1 PHE 5 HE2 PHE 5 -2.754 9.389 -3.294 47 HE2 PHE 5 HE1 PHE 5 -0.890 5.666 -4.211 48 HZ PHE 5 HZ PHE 5 -0.978 8.118 -4.431 49 H THR 6 H THR 6 -7.192 3.097 -2.870 50 HA THR 6 HA THR 6 -8.700 2.970 -0.325 51 HB THR 6 HB THR 6 -10.236 3.384 -2.121 52 HG1 THR 6 HG1 THR 6 -11.597 1.696 -1.751 53 HG21 THR 6 3HG2 THR 6 -8.831 2.664 -4.002 54 HG22 THR 6 1HG2 THR 6 -10.434 1.935 -4.081 55 HG23 THR 6 2HG2 THR 6 -9.058 0.979 -3.530 56 H LYS 7 H LYS 7 -9.604 0.664 0.053 57 HA LYS 7 HA LYS 7 -7.378 -1.091 0.434 58 HB2 LYS 7 2HB LYS 7 -9.060 -2.641 1.386 59 HB3 LYS 7 3HB LYS 7 -9.176 -1.023 2.063 60 HG2 LYS 7 2HG LYS 7 -11.133 -0.535 0.795 61 HG3 LYS 7 3HG LYS 7 -10.940 -1.990 -0.183 62 HD2 LYS 7 2HD LYS 7 -12.703 -2.294 1.468 63 HD3 LYS 7 3HD LYS 7 -11.350 -3.375 1.804 64 HE2 LYS 7 2HE LYS 7 -10.545 -1.686 3.486 65 HE3 LYS 7 3HE LYS 7 -12.056 -0.809 3.234 66 HZ1 LYS 7 3HZ LYS 7 -11.780 -3.594 4.228 67 HZ2 LYS 7 1HZ LYS 7 -13.252 -2.818 3.924 68 HZ3 LYS 7 2HZ LYS 7 -12.234 -2.245 5.143 69 H ASP 8 H ASP 8 -9.816 -0.755 -1.986 70 HA ASP 8 HA ASP 8 -9.756 -3.436 -2.972 71 HB2 ASP 8 2HB ASP 8 -11.742 -2.032 -3.187 72 HB3 ASP 8 3HB ASP 8 -10.850 -0.887 -4.187 73 H MET 9 H MET 9 -8.028 -0.478 -3.807 74 HA MET 9 HA MET 9 -7.123 -1.382 -6.363 75 HB2 MET 9 2HB MET 9 -5.679 0.575 -6.359 76 HB3 MET 9 3HB MET 9 -7.292 1.007 -5.804 77 HG2 MET 9 2HG MET 9 -6.438 0.842 -3.461 78 HG3 MET 9 3HG MET 9 -4.818 0.647 -4.130 79 HE1 MET 9 3HE MET 9 -4.328 4.076 -5.994 80 HE2 MET 9 1HE MET 9 -5.041 2.626 -6.707 81 HE3 MET 9 2HE MET 9 -3.635 2.491 -5.651 82 H THR 10 H THR 10 -4.953 -1.921 -6.977 83 HA THR 10 HA THR 10 -3.717 -3.741 -5.079 84 HB THR 10 HB THR 10 -2.363 -4.499 -6.985 85 HG1 THR 10 HG1 THR 10 -3.596 -3.182 -8.981 86 HG21 THR 10 3HG2 THR 10 -4.175 -5.367 -8.398 87 HG22 THR 10 1HG2 THR 10 -5.293 -4.201 -7.689 88 HG23 THR 10 2HG2 THR 10 -4.595 -5.476 -6.689 89 H PHE 11 H PHE 11 -1.366 -3.855 -4.819 90 HA PHE 11 HA PHE 11 -0.176 -1.468 -3.982 91 HB2 PHE 11 2HB PHE 11 1.043 -4.139 -4.716 92 HB3 PHE 11 3HB PHE 11 1.995 -2.810 -4.061 93 HD1 PHE 11 HD2 PHE 11 1.733 -2.107 -1.757 94 HD2 PHE 11 HD1 PHE 11 -0.526 -5.361 -3.317 95 HE1 PHE 11 HE2 PHE 11 1.143 -2.788 0.530 96 HE2 PHE 11 HE1 PHE 11 -1.122 -6.046 -1.031 97 HZ PHE 11 HZ PHE 11 -0.284 -4.758 0.897 98 H ALA 12 H ALA 12 0.145 -3.189 -7.076 99 HA ALA 12 HA ALA 12 2.098 -1.612 -8.288 100 HB1 ALA 12 3HB ALA 12 -0.291 -2.924 -9.597 101 HB2 ALA 12 1HB ALA 12 1.254 -3.702 -9.245 102 HB3 ALA 12 2HB ALA 12 1.176 -2.387 -10.419 103 H GLN 13 H GLN 13 -1.449 -1.157 -8.324 104 HA GLN 13 HA GLN 13 -1.549 1.230 -9.784 105 HB2 GLN 13 2HB GLN 13 -3.340 0.195 -7.578 106 HB3 GLN 13 3HB GLN 13 -3.706 1.637 -8.514 107 HG2 GLN 13 2HG GLN 13 -3.843 0.342 -10.546 108 HG3 GLN 13 3HG GLN 13 -3.331 -1.112 -9.690 109 HE21 GLN 13 1HE2 GLN 13 -5.942 1.161 -10.152 110 HE22 GLN 13 2HE2 GLN 13 -7.172 0.180 -9.442 111 H ALA 14 H ALA 14 -1.256 0.758 -6.260 112 HA ALA 14 HA ALA 14 -1.291 3.452 -5.490 113 HB1 ALA 14 3HB ALA 14 -1.529 1.582 -3.918 114 HB2 ALA 14 1HB ALA 14 -0.266 2.704 -3.406 115 HB3 ALA 14 2HB ALA 14 0.168 1.168 -4.156 116 H LEU 15 H LEU 15 1.540 1.353 -6.107 117 HA LEU 15 HA LEU 15 3.552 3.227 -5.637 118 HB2 LEU 15 2HB LEU 15 3.534 0.886 -7.548 119 HB3 LEU 15 3HB LEU 15 4.976 1.771 -7.080 120 HG LEU 15 HG LEU 15 3.212 0.182 -5.201 121 HD11 LEU 15 1HD1 LEU 15 4.441 -1.284 -6.689 122 HD12 LEU 15 2HD1 LEU 15 5.133 -1.353 -5.068 123 HD13 LEU 15 3HD1 LEU 15 5.944 -0.431 -6.336 124 HD21 LEU 15 3HD2 LEU 15 4.259 2.090 -4.093 125 HD22 LEU 15 1HD2 LEU 15 5.837 1.593 -4.705 126 HD23 LEU 15 2HD2 LEU 15 4.976 0.574 -3.550 127 H GLN 16 H GLN 16 1.765 2.566 -8.636 128 HA GLN 16 HA GLN 16 3.360 4.363 -10.208 129 HB2 GLN 16 2HB GLN 16 0.760 2.943 -10.762 130 HB3 GLN 16 3HB GLN 16 1.516 4.026 -11.925 131 HG2 GLN 16 2HG GLN 16 2.710 1.498 -10.795 132 HG3 GLN 16 3HG GLN 16 2.069 1.723 -12.425 133 HE21 GLN 16 1HE2 GLN 16 4.696 2.411 -10.263 134 HE22 GLN 16 2HE2 GLN 16 5.789 3.014 -11.456 135 H THR 17 H THR 17 0.304 4.660 -8.471 136 HA THR 17 HA THR 17 -0.614 7.058 -9.581 137 HB THR 17 HB THR 17 -0.939 6.126 -6.713 138 HG1 THR 17 HG1 THR 17 -2.121 4.662 -7.692 139 HG21 THR 17 3HG2 THR 17 -1.457 8.507 -6.934 140 HG22 THR 17 1HG2 THR 17 -2.933 7.570 -6.690 141 HG23 THR 17 2HG2 THR 17 -2.519 8.159 -8.299 142 H HIS 18 H HIS 18 1.435 6.605 -6.690 143 HA HIS 18 HA HIS 18 2.661 9.212 -7.214 144 HB2 HIS 18 2HB HIS 18 1.259 8.447 -4.659 145 HB3 HIS 18 3HB HIS 18 2.592 9.594 -4.634 146 HD1 HIS 18 HD1 HIS 18 1.324 10.574 -7.634 147 HD2 HIS 18 HD2 HIS 18 -0.283 10.768 -3.807 148 HE1 HIS 18 HE1 HIS 18 -0.372 12.412 -7.712 149 HE2 HIS 18 HE2 HIS 18 -1.145 12.672 -5.339 150 HA PRO 19 HA PRO 19 6.398 6.912 -6.610 151 HB2 PRO 19 2HB PRO 19 7.565 9.506 -5.735 152 HB3 PRO 19 3HB PRO 19 8.069 8.426 -7.039 153 HG2 PRO 19 2HG PRO 19 6.823 10.728 -7.573 154 HG3 PRO 19 3HG PRO 19 6.495 9.266 -8.524 155 HD2 PRO 19 2HD PRO 19 4.861 10.523 -6.347 156 HD3 PRO 19 3HD PRO 19 4.330 9.779 -7.870 157 H GLY 20 H GLY 20 5.673 9.339 -4.085 158 HA2 GLY 20 2HA GLY 20 7.392 8.362 -2.109 159 HA3 GLY 20 3HA GLY 20 5.963 9.332 -1.810 160 H VAL 21 H VAL 21 4.481 6.921 -3.204 161 HA VAL 21 HA VAL 21 3.467 5.735 -0.893 162 HB VAL 21 HB VAL 21 3.496 4.661 -3.725 163 HG11 VAL 21 1HG1 VAL 21 3.093 2.825 -2.179 164 HG12 VAL 21 2HG1 VAL 21 1.609 3.236 -3.037 165 HG13 VAL 21 3HG1 VAL 21 1.835 3.756 -1.366 166 HG21 VAL 21 3HG2 VAL 21 1.384 6.176 -2.181 167 HG22 VAL 21 1HG2 VAL 21 1.200 5.534 -3.814 168 HG23 VAL 21 2HG2 VAL 21 2.372 6.813 -3.496 169 H ALA 22 H ALA 22 6.185 4.729 -2.921 170 HA ALA 22 HA ALA 22 6.608 2.157 -1.908 171 HB1 ALA 22 3HB ALA 22 8.691 4.137 -2.843 172 HB2 ALA 22 1HB ALA 22 7.772 3.040 -3.874 173 HB3 ALA 22 2HB ALA 22 8.912 2.393 -2.693 174 H GLY 23 H GLY 23 8.018 5.247 -0.793 175 HA2 GLY 23 2HA GLY 23 9.485 4.246 1.378 176 HA3 GLY 23 3HA GLY 23 8.881 5.888 1.234 177 H VAL 24 H VAL 24 6.096 5.263 1.204 178 HA VAL 24 HA VAL 24 5.528 5.119 3.964 179 HB VAL 24 HB VAL 24 3.650 4.678 1.628 180 HG11 VAL 24 1HG1 VAL 24 2.686 3.818 3.692 181 HG12 VAL 24 2HG1 VAL 24 1.860 5.299 3.205 182 HG13 VAL 24 3HG1 VAL 24 3.041 5.338 4.515 183 HG21 VAL 24 3HG2 VAL 24 4.755 6.849 1.512 184 HG22 VAL 24 1HG2 VAL 24 4.296 7.191 3.181 185 HG23 VAL 24 2HG2 VAL 24 3.054 7.046 1.936 186 H LEU 25 H LEU 25 4.882 2.732 1.377 187 HA LEU 25 HA LEU 25 3.811 0.712 2.946 188 HB2 LEU 25 2HB LEU 25 5.518 0.436 0.465 189 HB3 LEU 25 3HB LEU 25 4.504 -0.830 1.134 190 HG LEU 25 HG LEU 25 3.544 1.798 -0.023 191 HD11 LEU 25 1HD1 LEU 25 3.244 -1.023 -1.053 192 HD12 LEU 25 2HD1 LEU 25 4.322 0.208 -1.711 193 HD13 LEU 25 3HD1 LEU 25 2.576 0.435 -1.788 194 HD21 LEU 25 3HD2 LEU 25 1.946 -0.504 1.107 195 HD22 LEU 25 1HD2 LEU 25 1.285 0.912 0.290 196 HD23 LEU 25 2HD2 LEU 25 2.120 1.096 1.831 197 H ARG 26 H ARG 26 7.243 1.189 2.060 198 HA ARG 26 HA ARG 26 8.278 -1.024 3.451 199 HB2 ARG 26 2HB ARG 26 9.614 1.640 2.906 200 HB3 ARG 26 3HB ARG 26 10.442 0.153 3.353 201 HG2 ARG 26 2HG ARG 26 9.738 -0.906 1.289 202 HG3 ARG 26 3HG ARG 26 8.805 0.524 0.846 203 HD2 ARG 26 2HD ARG 26 10.868 0.576 -0.363 204 HD3 ARG 26 3HD ARG 26 10.925 1.835 0.871 205 HE ARG 26 HE ARG 26 12.104 -0.420 1.976 206 HH11 ARG 26 1HH1 ARG 26 12.674 1.788 -0.593 207 HH12 ARG 26 2HH1 ARG 26 14.371 1.468 -0.649 208 HH21 ARG 26 1HH2 ARG 26 14.292 -0.805 1.930 209 HH22 ARG 26 2HH2 ARG 26 15.278 0.015 0.771 210 H SER 27 H SER 27 7.578 2.263 4.547 211 HA SER 27 HA SER 27 8.764 2.143 7.092 212 HB2 SER 27 2HB SER 27 8.004 4.258 6.131 213 HB3 SER 27 3HB SER 27 6.331 3.710 6.186 214 HG SER 27 HG SER 27 7.981 4.633 8.226 215 H TYR 28 H TYR 28 5.647 0.970 5.950 216 HA TYR 28 HA TYR 28 4.837 0.247 8.675 217 HB2 TYR 28 2HB TYR 28 3.350 0.302 6.047 218 HB3 TYR 28 3HB TYR 28 2.665 -0.399 7.509 219 HD1 TYR 28 HD1 TYR 28 3.813 2.745 5.948 220 HD2 TYR 28 HD2 TYR 28 1.838 0.983 9.282 221 HE1 TYR 28 HE1 TYR 28 3.048 4.968 6.662 222 HE2 TYR 28 HE2 TYR 28 1.065 3.201 10.002 223 HH TYR 28 HH TYR 28 1.272 5.964 8.018 224 H ASN 29 H ASN 29 6.769 -1.206 6.553 225 HA ASN 29 HA ASN 29 7.529 -3.338 6.303 226 HB2 ASN 29 2HB ASN 29 6.866 -3.659 8.706 227 HB3 ASN 29 3HB ASN 29 5.305 -4.245 8.153 228 HD21 ASN 29 1HD2 ASN 29 7.272 -5.633 9.724 229 HD22 ASN 29 2HD2 ASN 29 7.696 -7.053 8.831 230 H LEU 30 H LEU 30 6.116 -2.361 4.301 231 HA LEU 30 HA LEU 30 4.808 -4.793 3.254 232 HB2 LEU 30 2HB LEU 30 4.031 -1.916 2.744 233 HB3 LEU 30 3HB LEU 30 3.476 -3.251 1.750 234 HG LEU 30 HG LEU 30 2.906 -2.932 4.705 235 HD11 LEU 30 1HD1 LEU 30 0.615 -2.453 4.012 236 HD12 LEU 30 2HD1 LEU 30 1.102 -2.526 2.318 237 HD13 LEU 30 3HD1 LEU 30 1.737 -1.257 3.366 238 HD21 LEU 30 3HD2 LEU 30 1.354 -4.796 4.384 239 HD22 LEU 30 1HD2 LEU 30 3.007 -5.277 4.007 240 HD23 LEU 30 2HD2 LEU 30 1.867 -4.944 2.702 241 H GLY 31 H GLY 31 7.594 -3.407 3.168 242 HA2 GLY 31 2HA GLY 31 8.023 -2.713 0.417 243 HA3 GLY 31 3HA GLY 31 9.265 -3.016 1.624 244 H CYS 32 H CYS 32 7.794 -5.698 2.072 245 HA CYS 32 HA CYS 32 9.459 -7.280 0.380 246 HB2 CYS 32 2HB CYS 32 7.146 -8.137 2.138 247 HB3 CYS 32 3HB CYS 32 8.360 -9.204 1.444 248 HG CYS 32 HG CYS 32 8.720 -8.745 4.258 249 H ILE 33 H ILE 33 6.579 -5.740 -0.340 250 HA ILE 33 HA ILE 33 5.002 -7.634 -1.628 251 HB ILE 33 HB ILE 33 4.131 -5.758 -3.038 252 HG12 ILE 33 2HG1 ILE 33 6.196 -4.124 -1.523 253 HG13 ILE 33 3HG1 ILE 33 6.231 -4.483 -3.247 254 HG21 ILE 33 1HG2 ILE 33 4.344 -5.227 -0.072 255 HG22 ILE 33 2HG2 ILE 33 3.160 -6.264 -0.865 256 HG23 ILE 33 3HG2 ILE 33 3.145 -4.526 -1.159 257 HD11 ILE 33 3HD1 ILE 33 5.443 -2.230 -2.831 258 HD12 ILE 33 1HD1 ILE 33 4.134 -2.855 -1.827 259 HD13 ILE 33 2HD1 ILE 33 4.170 -3.214 -3.553 260 H GLY 34 H GLY 34 7.977 -6.183 -2.758 261 HA2 GLY 34 2HA GLY 34 7.688 -7.052 -5.484 262 HA3 GLY 34 3HA GLY 34 9.170 -6.508 -4.712 263 H CYS 35 H CYS 35 9.487 -8.295 -2.674 264 HA CYS 35 HA CYS 35 10.625 -10.515 -4.031 265 HB2 CYS 35 2HB CYS 35 11.609 -9.618 -1.978 266 HB3 CYS 35 3HB CYS 35 10.180 -10.096 -1.066 267 HG CYS 35 HG CYS 35 10.887 -12.884 -2.229 268 H MET 36 H MET 36 7.732 -10.230 -1.965 269 HA MET 36 HA MET 36 7.143 -13.057 -2.238 270 HB2 MET 36 2HB MET 36 5.242 -12.646 -0.797 271 HB3 MET 36 3HB MET 36 6.667 -11.868 -0.129 272 HG2 MET 36 2HG MET 36 5.853 -9.723 -1.149 273 HG3 MET 36 3HG MET 36 4.357 -10.563 -1.545 274 HE1 MET 36 3HE MET 36 4.264 -12.526 1.064 275 HE2 MET 36 1HE MET 36 2.820 -11.760 0.405 276 HE3 MET 36 2HE MET 36 3.192 -11.608 2.121 277 H GLY 37 H GLY 37 6.656 -10.434 -4.231 278 HA2 GLY 37 2HA GLY 37 5.488 -10.213 -6.202 279 HA3 GLY 37 3HA GLY 37 5.045 -11.904 -6.048 280 H ALA 38 H ALA 38 4.262 -9.012 -4.106 281 HA ALA 38 HA ALA 38 1.411 -9.741 -4.259 282 HB1 ALA 38 3HB ALA 38 2.413 -9.500 -2.016 283 HB2 ALA 38 1HB ALA 38 1.105 -8.348 -2.293 284 HB3 ALA 38 2HB ALA 38 2.783 -7.815 -2.379 285 H GLN 39 H GLN 39 2.999 -8.243 -6.371 286 HA GLN 39 HA GLN 39 2.327 -5.500 -6.343 287 HB2 GLN 39 2HB GLN 39 2.904 -7.309 -8.702 288 HB3 GLN 39 3HB GLN 39 2.863 -5.552 -8.765 289 HG2 GLN 39 2HG GLN 39 4.768 -7.192 -7.100 290 HG3 GLN 39 3HG GLN 39 5.146 -6.448 -8.653 291 HE21 GLN 39 1HE2 GLN 39 4.535 -5.868 -5.278 292 HE22 GLN 39 2HE2 GLN 39 5.100 -4.237 -5.258 293 H ASN 40 H ASN 40 0.715 -8.259 -7.907 294 HA ASN 40 HA ASN 40 -1.429 -6.595 -8.939 295 HB2 ASN 40 2HB ASN 40 -1.142 -9.613 -8.961 296 HB3 ASN 40 3HB ASN 40 -2.300 -8.673 -9.898 297 HD21 ASN 40 1HD2 ASN 40 0.999 -9.650 -9.585 298 HD22 ASN 40 2HD2 ASN 40 1.523 -9.080 -11.127 299 H GLU 41 H GLU 41 -0.842 -7.509 -5.921 300 HA GLU 41 HA GLU 41 -3.524 -8.480 -5.258 301 HB2 GLU 41 2HB GLU 41 -1.594 -9.660 -4.291 302 HB3 GLU 41 3HB GLU 41 -1.064 -8.174 -3.517 303 HG2 GLU 41 2HG GLU 41 -2.983 -8.151 -2.090 304 HG3 GLU 41 3HG GLU 41 -3.713 -9.496 -2.965 305 H SER 42 H SER 42 -4.895 -7.407 -3.782 306 HA SER 42 HA SER 42 -4.828 -4.555 -3.948 307 HB2 SER 42 2HB SER 42 -6.636 -6.359 -2.310 308 HB3 SER 42 3HB SER 42 -6.895 -4.635 -2.580 309 HG SER 42 HG SER 42 -7.478 -5.013 -4.609 310 H LEU 43 H LEU 43 -4.674 -3.019 -2.278 311 HA LEU 43 HA LEU 43 -2.553 -3.268 -0.527 312 HB2 LEU 43 2HB LEU 43 -4.929 -1.408 -0.394 313 HB3 LEU 43 3HB LEU 43 -3.507 -1.236 0.620 314 HG LEU 43 HG LEU 43 -3.495 -1.095 -2.405 315 HD11 LEU 43 1HD1 LEU 43 -3.304 1.124 -0.365 316 HD12 LEU 43 2HD1 LEU 43 -4.660 0.820 -1.450 317 HD13 LEU 43 3HD1 LEU 43 -3.098 1.302 -2.108 318 HD21 LEU 43 3HD2 LEU 43 -1.199 -0.249 -2.104 319 HD22 LEU 43 1HD2 LEU 43 -1.385 -1.905 -1.527 320 HD23 LEU 43 2HD2 LEU 43 -1.320 -0.572 -0.371 321 H GLU 44 H GLU 44 -6.007 -3.687 0.227 322 HA GLU 44 HA GLU 44 -5.751 -4.064 2.995 323 HB2 GLU 44 2HB GLU 44 -7.908 -3.686 1.981 324 HB3 GLU 44 3HB GLU 44 -7.783 -5.176 1.054 325 HG2 GLU 44 2HG GLU 44 -7.909 -6.490 3.082 326 HG3 GLU 44 3HG GLU 44 -7.918 -5.023 4.062 327 H GLN 45 H GLN 45 -5.692 -6.453 0.368 328 HA GLN 45 HA GLN 45 -5.545 -8.751 1.989 329 HB2 GLN 45 2HB GLN 45 -4.507 -8.361 -0.829 330 HB3 GLN 45 3HB GLN 45 -4.814 -9.910 -0.054 331 HG2 GLN 45 2HG GLN 45 -7.185 -9.440 0.041 332 HG3 GLN 45 3HG GLN 45 -6.917 -7.819 -0.601 333 HE21 GLN 45 1HE2 GLN 45 -8.229 -8.155 -2.377 334 HE22 GLN 45 2HE2 GLN 45 -7.780 -9.186 -3.686 335 H GLY 46 H GLY 46 -2.983 -6.766 0.522 336 HA2 GLY 46 2HA GLY 46 -0.801 -8.301 1.505 337 HA3 GLY 46 3HA GLY 46 -0.730 -6.635 0.957 338 H ALA 47 H ALA 47 -2.513 -5.480 2.816 339 HA ALA 47 HA ALA 47 -0.902 -4.940 5.027 340 HB1 ALA 47 3HB ALA 47 -2.721 -3.476 4.312 341 HB2 ALA 47 1HB ALA 47 -2.888 -3.892 6.018 342 HB3 ALA 47 2HB ALA 47 -3.906 -4.682 4.813 343 H ASN 48 H ASN 48 -3.849 -6.975 4.960 344 HA ASN 48 HA ASN 48 -3.616 -7.982 7.571 345 HB2 ASN 48 2HB ASN 48 -4.991 -9.082 5.117 346 HB3 ASN 48 3HB ASN 48 -5.075 -9.887 6.680 347 HD21 ASN 48 1HD2 ASN 48 -6.104 -7.161 4.813 348 HD22 ASN 48 2HD2 ASN 48 -7.260 -6.572 5.949 349 H ALA 49 H ALA 49 -2.064 -8.999 4.596 350 HA ALA 49 HA ALA 49 -1.146 -11.533 5.441 351 HB1 ALA 49 3HB ALA 49 0.460 -11.365 3.609 352 HB2 ALA 49 1HB ALA 49 0.115 -9.641 3.453 353 HB3 ALA 49 2HB ALA 49 -1.142 -10.829 3.098 354 H HIS 50 H HIS 50 0.129 -8.288 5.956 355 HA HIS 50 HA HIS 50 2.437 -9.409 7.418 356 HB2 HIS 50 2HB HIS 50 1.925 -6.681 6.221 357 HB3 HIS 50 3HB HIS 50 3.247 -6.976 7.345 358 HD1 HIS 50 HD1 HIS 50 5.302 -6.979 5.955 359 HD2 HIS 50 HD2 HIS 50 2.227 -9.123 4.161 360 HE1 HIS 50 HE1 HIS 50 6.316 -8.032 3.917 361 HE2 HIS 50 HE2 HIS 50 4.505 -9.513 3.001 362 H GLY 51 H GLY 51 -0.564 -8.818 8.225 363 HA2 GLY 51 2HA GLY 51 -1.625 -8.420 10.228 364 HA3 GLY 51 3HA GLY 51 -0.040 -8.425 10.983 365 H LEU 52 H LEU 52 -1.613 -6.270 8.619 366 HA LEU 52 HA LEU 52 -1.046 -3.987 10.415 367 HB2 LEU 52 2HB LEU 52 -0.942 -3.989 7.394 368 HB3 LEU 52 3HB LEU 52 -0.597 -2.628 8.444 369 HG LEU 52 HG LEU 52 1.041 -5.169 8.325 370 HD11 LEU 52 1HD1 LEU 52 2.705 -3.810 7.163 371 HD12 LEU 52 2HD1 LEU 52 1.595 -2.438 7.163 372 HD13 LEU 52 3HD1 LEU 52 1.198 -3.894 6.250 373 HD21 LEU 52 3HD2 LEU 52 1.550 -2.539 9.729 374 HD22 LEU 52 1HD2 LEU 52 2.672 -3.899 9.642 375 HD23 LEU 52 2HD2 LEU 52 1.145 -4.071 10.507 376 H ASN 53 H ASN 53 -2.637 -2.432 10.636 377 HA ASN 53 HA ASN 53 -5.288 -2.994 9.698 378 HB2 ASN 53 2HB ASN 53 -4.786 -1.832 11.859 379 HB3 ASN 53 3HB ASN 53 -4.247 -0.429 10.943 380 HD21 ASN 53 1HD2 ASN 53 -6.391 -0.539 12.837 381 HD22 ASN 53 2HD2 ASN 53 -7.838 -0.119 11.993 382 H VAL 54 H VAL 54 -5.944 -2.636 7.668 383 HA VAL 54 HA VAL 54 -4.539 -1.246 5.704 384 HB VAL 54 HB VAL 54 -6.235 -2.939 5.180 385 HG11 VAL 54 1HG1 VAL 54 -7.921 -2.387 6.846 386 HG12 VAL 54 2HG1 VAL 54 -8.633 -2.397 5.232 387 HG13 VAL 54 3HG1 VAL 54 -8.266 -0.864 6.025 388 HG21 VAL 54 3HG2 VAL 54 -5.571 -1.392 3.425 389 HG22 VAL 54 1HG2 VAL 54 -6.823 -0.252 3.927 390 HG23 VAL 54 2HG2 VAL 54 -7.273 -1.818 3.252 391 H GLU 55 H GLU 55 -7.043 -0.069 7.902 392 HA GLU 55 HA GLU 55 -7.691 2.347 6.640 393 HB2 GLU 55 2HB GLU 55 -7.637 1.659 9.588 394 HB3 GLU 55 3HB GLU 55 -8.368 3.115 8.931 395 HG2 GLU 55 2HG GLU 55 -9.967 1.764 7.674 396 HG3 GLU 55 3HG GLU 55 -9.219 0.291 8.292 397 H ASP 56 H ASP 56 -5.199 1.710 9.117 398 HA ASP 56 HA ASP 56 -4.366 4.395 9.378 399 HB2 ASP 56 2HB ASP 56 -3.955 2.445 10.984 400 HB3 ASP 56 3HB ASP 56 -2.625 1.984 9.926 401 H ILE 57 H ILE 57 -3.254 1.765 7.302 402 HA ILE 57 HA ILE 57 -0.993 3.076 6.208 403 HB ILE 57 HB ILE 57 -2.735 0.961 4.911 404 HG12 ILE 57 2HG1 ILE 57 -0.226 0.652 6.599 405 HG13 ILE 57 3HG1 ILE 57 -1.863 0.254 7.116 406 HG21 ILE 57 1HG2 ILE 57 -1.297 2.079 3.297 407 HG22 ILE 57 2HG2 ILE 57 -0.722 0.439 3.588 408 HG23 ILE 57 3HG2 ILE 57 0.108 1.808 4.327 409 HD11 ILE 57 3HD1 ILE 57 -1.995 -1.476 5.411 410 HD12 ILE 57 1HD1 ILE 57 -0.612 -1.729 6.475 411 HD13 ILE 57 2HD1 ILE 57 -0.370 -1.067 4.859 412 H LEU 58 H LEU 58 -4.307 2.684 4.907 413 HA LEU 58 HA LEU 58 -4.014 4.177 2.574 414 HB2 LEU 58 2HB LEU 58 -6.468 3.868 4.311 415 HB3 LEU 58 3HB LEU 58 -6.481 4.514 2.681 416 HG LEU 58 HG LEU 58 -5.735 1.692 3.476 417 HD11 LEU 58 1HD1 LEU 58 -8.132 2.145 3.606 418 HD12 LEU 58 2HD1 LEU 58 -7.759 1.061 2.267 419 HD13 LEU 58 3HD1 LEU 58 -8.114 2.760 1.953 420 HD21 LEU 58 3HD2 LEU 58 -5.600 1.252 1.064 421 HD22 LEU 58 1HD2 LEU 58 -4.389 2.424 1.585 422 HD23 LEU 58 2HD2 LEU 58 -5.838 2.971 0.742 423 H ARG 59 H ARG 59 -4.666 5.268 5.857 424 HA ARG 59 HA ARG 59 -5.371 7.910 5.446 425 HB2 ARG 59 2HB ARG 59 -5.412 6.950 7.655 426 HB3 ARG 59 3HB ARG 59 -3.675 6.672 7.625 427 HG2 ARG 59 2HG ARG 59 -3.312 9.115 7.601 428 HG3 ARG 59 3HG ARG 59 -5.059 9.353 7.703 429 HD2 ARG 59 2HD ARG 59 -3.908 9.548 9.893 430 HD3 ARG 59 3HD ARG 59 -5.135 8.284 9.856 431 HE ARG 59 HE ARG 59 -3.288 6.674 9.612 432 HH11 ARG 59 1HH1 ARG 59 -2.570 9.799 10.888 433 HH12 ARG 59 2HH1 ARG 59 -1.161 9.244 11.717 434 HH21 ARG 59 1HH2 ARG 59 -1.491 5.988 10.706 435 HH22 ARG 59 2HH2 ARG 59 -0.559 7.124 11.615 436 H ASP 60 H ASP 60 -2.031 6.668 5.890 437 HA ASP 60 HA ASP 60 -0.827 9.201 5.401 438 HB2 ASP 60 2HB ASP 60 0.175 7.296 6.733 439 HB3 ASP 60 3HB ASP 60 0.515 6.494 5.202 440 H LEU 61 H LEU 61 -1.606 6.449 3.345 441 HA LEU 61 HA LEU 61 -0.162 7.196 1.047 442 HB2 LEU 61 2HB LEU 61 -2.754 5.663 1.302 443 HB3 LEU 61 3HB LEU 61 -1.844 5.808 -0.190 444 HG LEU 61 HG LEU 61 -0.878 4.467 2.347 445 HD11 LEU 61 1HD1 LEU 61 -2.591 3.170 1.201 446 HD12 LEU 61 2HD1 LEU 61 -1.013 2.403 1.032 447 HD13 LEU 61 3HD1 LEU 61 -1.703 3.306 -0.318 448 HD21 LEU 61 3HD2 LEU 61 0.960 5.532 1.129 449 HD22 LEU 61 1HD2 LEU 61 0.463 4.714 -0.353 450 HD23 LEU 61 2HD2 LEU 61 1.056 3.776 1.018 451 H ASN 62 H ASN 62 -3.595 7.869 1.863 452 HA ASN 62 HA ASN 62 -4.043 9.539 -0.393 453 HB2 ASN 62 2HB ASN 62 -5.520 9.247 2.224 454 HB3 ASN 62 3HB ASN 62 -6.034 10.378 0.976 455 HD21 ASN 62 1HD2 ASN 62 -5.753 7.032 1.849 456 HD22 ASN 62 2HD2 ASN 62 -6.679 6.405 0.537 457 H ALA 63 H ALA 63 -2.719 10.152 2.787 458 HA ALA 63 HA ALA 63 -2.818 12.965 2.796 459 HB1 ALA 63 3HB ALA 63 -0.702 11.189 4.020 460 HB2 ALA 63 1HB ALA 63 -2.238 11.619 4.771 461 HB3 ALA 63 2HB ALA 63 -1.035 12.867 4.449 462 H LEU 64 H LEU 64 -0.735 10.743 1.058 463 HA LEU 64 HA LEU 64 1.245 12.617 0.230 464 HB2 LEU 64 2HB LEU 64 0.258 10.106 -1.138 465 HB3 LEU 64 3HB LEU 64 1.698 10.996 -1.595 466 HG LEU 64 HG LEU 64 1.290 9.649 1.084 467 HD11 LEU 64 1HD1 LEU 64 2.908 7.994 0.284 468 HD12 LEU 64 2HD1 LEU 64 2.914 8.767 -1.302 469 HD13 LEU 64 3HD1 LEU 64 1.444 7.999 -0.699 470 HD21 LEU 64 3HD2 LEU 64 2.804 11.574 1.180 471 HD22 LEU 64 1HD2 LEU 64 3.753 10.898 -0.145 472 HD23 LEU 64 2HD2 LEU 64 3.675 10.058 1.404 473 H ALA 65 H ALA 65 -1.957 11.814 -0.944 474 HA ALA 65 HA ALA 65 -1.727 13.356 -3.376 475 HB1 ALA 65 3HB ALA 65 -4.177 12.192 -2.049 476 HB2 ALA 65 1HB ALA 65 -3.181 11.391 -3.264 477 HB3 ALA 65 2HB ALA 65 -4.090 12.841 -3.688 478 H LEU 66 H LEU 66 -3.007 13.865 -0.139 479 HA LEU 66 HA LEU 66 -4.191 16.426 -0.745 480 HB2 LEU 66 2HB LEU 66 -3.558 15.136 1.918 481 HB3 LEU 66 3HB LEU 66 -4.511 16.594 1.703 482 HG LEU 66 HG LEU 66 -5.253 13.836 0.706 483 HD11 LEU 66 1HD1 LEU 66 -6.428 15.481 2.948 484 HD12 LEU 66 2HD1 LEU 66 -5.418 14.047 3.134 485 HD13 LEU 66 3HD1 LEU 66 -7.011 13.910 2.389 486 HD21 LEU 66 3HD2 LEU 66 -7.406 14.839 0.105 487 HD22 LEU 66 1HD2 LEU 66 -6.082 15.579 -0.792 488 HD23 LEU 66 2HD2 LEU 66 -6.803 16.430 0.575 489 H GLU 67 H GLU 67 -1.103 15.287 0.456 490 HA GLU 67 HA GLU 67 0.897 16.292 0.814 491 HB2 GLU 67 2HB GLU 67 -0.320 18.623 -0.691 492 HB3 GLU 67 3HB GLU 67 1.391 18.411 -0.344 493 HG2 GLU 67 2HG GLU 67 1.367 16.331 -1.689 494 HG3 GLU 67 3HG GLU 67 -0.317 16.654 -2.103 495 H HIS 68 H HIS 68 -1.630 17.001 2.565 496 HA HIS 68 HA HIS 68 -0.556 19.391 3.892 497 HB2 HIS 68 2HB HIS 68 -3.234 18.033 3.956 498 HB3 HIS 68 3HB HIS 68 -2.766 19.123 5.258 499 HD1 HIS 68 HD1 HIS 68 -2.744 21.619 4.759 500 HD2 HIS 68 HD2 HIS 68 -3.655 19.294 1.440 501 HE1 HIS 68 HE1 HIS 68 -3.601 23.221 3.037 502 HE2 HIS 68 HE2 HIS 68 -3.921 21.827 0.974 503 H HIS 69 H HIS 69 0.878 19.046 5.439 504 HA HIS 69 HA HIS 69 0.141 17.238 7.630 505 HB2 HIS 69 2HB HIS 69 2.849 17.285 6.282 506 HB3 HIS 69 3HB HIS 69 2.590 16.614 7.888 507 HD1 HIS 69 HD1 HIS 69 0.965 14.487 7.998 508 HD2 HIS 69 HD2 HIS 69 2.265 15.584 4.209 509 HE1 HIS 69 HE1 HIS 69 0.551 12.489 6.546 510 HE2 HIS 69 HE2 HIS 69 1.529 13.105 4.314 511 H HIS 70 H HIS 70 2.189 19.899 6.514 512 HA HIS 70 HA HIS 70 2.273 20.954 9.272 513 HB2 HIS 70 2HB HIS 70 4.161 21.425 6.951 514 HB3 HIS 70 3HB HIS 70 4.249 22.287 8.484 515 HD1 HIS 70 HD1 HIS 70 5.822 21.288 10.115 516 HD2 HIS 70 HD2 HIS 70 4.386 18.463 7.432 517 HE1 HIS 70 HE1 HIS 70 6.984 19.144 10.709 518 HE2 HIS 70 HE2 HIS 70 5.939 17.417 9.207 519 H HIS 71 H HIS 71 1.839 21.942 5.867 520 HA HIS 71 HA HIS 71 1.050 24.619 6.566 521 HB2 HIS 71 2HB HIS 71 2.131 23.929 4.377 522 HB3 HIS 71 3HB HIS 71 0.592 23.208 3.923 523 HD1 HIS 71 HD1 HIS 71 -1.031 24.735 2.775 524 HD2 HIS 71 HD2 HIS 71 1.933 26.824 4.807 525 HE1 HIS 71 HE1 HIS 71 -1.367 27.141 2.164 526 HE2 HIS 71 HE2 HIS 71 0.545 28.355 3.254 527 H HIS 72 H HIS 72 -0.789 24.878 7.693 528 HA HIS 72 HA HIS 72 -3.060 23.090 7.208 529 HB2 HIS 72 2HB HIS 72 -2.406 23.280 9.519 530 HB3 HIS 72 3HB HIS 72 -2.469 25.038 9.448 531 HD1 HIS 72 HD1 HIS 72 -4.876 22.105 9.054 532 HD2 HIS 72 HD2 HIS 72 -4.827 26.055 10.342 533 HE1 HIS 72 HE1 HIS 72 -7.187 22.564 9.911 534 HE2 HIS 72 HE2 HIS 72 -7.182 25.002 10.510 535 H HIS 73 H HIS 73 -5.075 23.738 6.621 536 HA HIS 73 HA HIS 73 -5.529 26.613 6.123 537 HB2 HIS 73 2HB HIS 73 -5.328 25.395 3.991 538 HB3 HIS 73 3HB HIS 73 -6.604 24.289 4.493 539 HD1 HIS 73 HD1 HIS 73 -6.171 28.028 3.922 540 HD2 HIS 73 HD2 HIS 73 -9.073 25.065 3.670 541 HE1 HIS 73 HE1 HIS 73 -8.212 29.162 3.000 542 HE2 HIS 73 HE2 HIS 73 -9.879 27.307 2.672 Start of MODEL 15 1 H1 MET 1 1H MET 1 -17.217 13.591 -2.590 2 H2 MET 1 2H MET 1 -17.071 14.576 -1.221 3 H3 MET 1 3H MET 1 -17.235 12.903 -1.046 4 HA MET 1 HA MET 1 -14.952 14.245 -2.366 5 HB2 MET 1 2HB MET 1 -13.647 13.657 -0.373 6 HB3 MET 1 3HB MET 1 -14.974 14.733 0.036 7 HG2 MET 1 2HG MET 1 -16.259 12.855 0.896 8 HG3 MET 1 3HG MET 1 -14.972 11.744 0.432 9 HE1 MET 1 3HE MET 1 -12.358 13.383 1.193 10 HE2 MET 1 1HE MET 1 -12.579 11.678 1.584 11 HE3 MET 1 2HE MET 1 -12.069 12.807 2.836 12 H THR 2 H THR 2 -13.313 12.855 -3.094 13 HA THR 2 HA THR 2 -13.809 9.946 -2.846 14 HB THR 2 HB THR 2 -14.404 10.654 -5.136 15 HG1 THR 2 HG1 THR 2 -13.617 8.789 -5.719 16 HG21 THR 2 3HG2 THR 2 -12.928 12.596 -5.348 17 HG22 THR 2 1HG2 THR 2 -12.672 11.461 -6.674 18 HG23 THR 2 2HG2 THR 2 -11.519 11.535 -5.341 19 H GLN 3 H GLN 3 -11.675 8.760 -3.691 20 HA GLN 3 HA GLN 3 -9.314 10.095 -2.526 21 HB2 GLN 3 2HB GLN 3 -10.316 7.316 -1.859 22 HB3 GLN 3 3HB GLN 3 -8.716 7.907 -1.430 23 HG2 GLN 3 2HG GLN 3 -9.740 9.671 -0.066 24 HG3 GLN 3 3HG GLN 3 -11.339 9.058 -0.483 25 HE21 GLN 3 1HE2 GLN 3 -8.599 6.971 0.127 26 HE22 GLN 3 2HE2 GLN 3 -9.194 6.318 1.608 27 H LYS 4 H LYS 4 -7.263 9.183 -3.154 28 HA LYS 4 HA LYS 4 -7.336 7.870 -5.780 29 HB2 LYS 4 2HB LYS 4 -5.115 9.301 -4.304 30 HB3 LYS 4 3HB LYS 4 -4.903 8.509 -5.857 31 HG2 LYS 4 2HG LYS 4 -7.037 10.581 -5.598 32 HG3 LYS 4 3HG LYS 4 -5.354 11.100 -5.673 33 HD2 LYS 4 2HD LYS 4 -6.225 11.145 -7.898 34 HD3 LYS 4 3HD LYS 4 -5.115 9.781 -7.791 35 HE2 LYS 4 2HE LYS 4 -7.076 9.128 -9.035 36 HE3 LYS 4 3HE LYS 4 -7.060 8.272 -7.495 37 HZ1 LYS 4 3HZ LYS 4 -8.665 9.862 -6.638 38 HZ2 LYS 4 1HZ LYS 4 -9.263 9.115 -8.033 39 HZ3 LYS 4 2HZ LYS 4 -8.665 10.698 -8.102 40 H PHE 5 H PHE 5 -6.915 7.045 -2.546 41 HA PHE 5 HA PHE 5 -5.642 4.503 -3.316 42 HB2 PHE 5 2HB PHE 5 -4.968 6.082 -0.818 43 HB3 PHE 5 3HB PHE 5 -4.311 4.508 -1.251 44 HD1 PHE 5 HD2 PHE 5 -2.913 4.328 -3.363 45 HD2 PHE 5 HD1 PHE 5 -3.972 8.061 -1.606 46 HE1 PHE 5 HE2 PHE 5 -1.102 5.429 -4.613 47 HE2 PHE 5 HE1 PHE 5 -2.164 9.166 -2.859 48 HZ PHE 5 HZ PHE 5 -0.728 7.849 -4.362 49 H THR 6 H THR 6 -7.029 2.926 -2.930 50 HA THR 6 HA THR 6 -8.694 3.014 -0.482 51 HB THR 6 HB THR 6 -10.222 3.257 -2.307 52 HG1 THR 6 HG1 THR 6 -11.376 1.840 -1.246 53 HG21 THR 6 3HG2 THR 6 -10.317 1.702 -4.203 54 HG22 THR 6 1HG2 THR 6 -8.902 0.850 -3.581 55 HG23 THR 6 2HG2 THR 6 -8.755 2.519 -4.133 56 H LYS 7 H LYS 7 -9.450 0.781 0.195 57 HA LYS 7 HA LYS 7 -7.161 -0.875 0.617 58 HB2 LYS 7 2HB LYS 7 -8.702 -2.363 1.825 59 HB3 LYS 7 3HB LYS 7 -8.909 -0.686 2.313 60 HG2 LYS 7 2HG LYS 7 -10.948 -0.485 1.123 61 HG3 LYS 7 3HG LYS 7 -10.671 -1.993 0.250 62 HD2 LYS 7 2HD LYS 7 -12.345 -2.303 1.996 63 HD3 LYS 7 3HD LYS 7 -10.897 -3.249 2.345 64 HE2 LYS 7 2HE LYS 7 -10.154 -1.493 3.910 65 HE3 LYS 7 3HE LYS 7 -11.637 -0.593 3.585 66 HZ1 LYS 7 3HZ LYS 7 -12.898 -2.505 4.429 67 HZ2 LYS 7 1HZ LYS 7 -11.866 -1.857 5.603 68 HZ3 LYS 7 2HZ LYS 7 -11.449 -3.293 4.809 69 H ASP 8 H ASP 8 -9.651 -0.826 -1.761 70 HA ASP 8 HA ASP 8 -9.576 -3.635 -2.398 71 HB2 ASP 8 2HB ASP 8 -11.582 -2.087 -2.582 72 HB3 ASP 8 3HB ASP 8 -10.825 -1.413 -4.021 73 H MET 9 H MET 9 -8.046 -0.734 -3.664 74 HA MET 9 HA MET 9 -7.337 -1.800 -6.206 75 HB2 MET 9 2HB MET 9 -5.934 0.170 -6.450 76 HB3 MET 9 3HB MET 9 -7.493 0.618 -5.773 77 HG2 MET 9 2HG MET 9 -6.434 0.621 -3.515 78 HG3 MET 9 3HG MET 9 -4.879 0.359 -4.302 79 HE1 MET 9 3HE MET 9 -3.728 2.117 -5.933 80 HE2 MET 9 1HE MET 9 -4.483 3.636 -6.413 81 HE3 MET 9 2HE MET 9 -5.175 2.101 -6.942 82 H THR 10 H THR 10 -5.125 -2.162 -6.978 83 HA THR 10 HA THR 10 -3.760 -4.003 -5.197 84 HB THR 10 HB THR 10 -2.521 -4.747 -7.101 85 HG1 THR 10 HG1 THR 10 -2.816 -3.553 -9.152 86 HG21 THR 10 3HG2 THR 10 -5.322 -4.042 -8.004 87 HG22 THR 10 1HG2 THR 10 -4.870 -5.464 -7.062 88 HG23 THR 10 2HG2 THR 10 -4.289 -5.281 -8.716 89 H PHE 11 H PHE 11 -1.462 -3.984 -4.807 90 HA PHE 11 HA PHE 11 -0.361 -1.580 -3.945 91 HB2 PHE 11 2HB PHE 11 0.956 -4.191 -4.701 92 HB3 PHE 11 3HB PHE 11 1.867 -2.836 -4.045 93 HD1 PHE 11 HD1 PHE 11 1.582 -2.139 -1.732 94 HD2 PHE 11 HD2 PHE 11 -0.544 -5.487 -3.293 95 HE1 PHE 11 HE1 PHE 11 1.038 -2.857 0.554 96 HE2 PHE 11 HE2 PHE 11 -1.091 -6.206 -1.004 97 HZ PHE 11 HZ PHE 11 -0.298 -4.890 0.923 98 H ALA 12 H ALA 12 0.129 -3.237 -7.054 99 HA ALA 12 HA ALA 12 2.148 -1.633 -8.109 100 HB1 ALA 12 3HB ALA 12 -0.109 -2.954 -9.620 101 HB2 ALA 12 1HB ALA 12 1.397 -3.732 -9.131 102 HB3 ALA 12 2HB ALA 12 1.426 -2.413 -10.304 103 H GLN 13 H GLN 13 -1.384 -1.247 -8.494 104 HA GLN 13 HA GLN 13 -1.376 1.067 -10.050 105 HB2 GLN 13 2HB GLN 13 -3.407 0.258 -7.950 106 HB3 GLN 13 3HB GLN 13 -3.671 1.449 -9.216 107 HG2 GLN 13 2HG GLN 13 -3.366 -0.308 -10.910 108 HG3 GLN 13 3HG GLN 13 -3.155 -1.493 -9.624 109 HE21 GLN 13 1HE2 GLN 13 -5.441 1.169 -9.545 110 HE22 GLN 13 2HE2 GLN 13 -6.859 0.191 -9.608 111 H ALA 14 H ALA 14 -1.442 0.771 -6.502 112 HA ALA 14 HA ALA 14 -1.549 3.498 -5.864 113 HB1 ALA 14 3HB ALA 14 -1.927 1.734 -4.219 114 HB2 ALA 14 1HB ALA 14 -0.670 2.844 -3.669 115 HB3 ALA 14 2HB ALA 14 -0.230 1.263 -4.317 116 H LEU 15 H LEU 15 1.291 1.380 -6.264 117 HA LEU 15 HA LEU 15 3.284 3.277 -5.730 118 HB2 LEU 15 2HB LEU 15 3.358 0.844 -7.523 119 HB3 LEU 15 3HB LEU 15 4.778 1.755 -7.040 120 HG LEU 15 HG LEU 15 2.930 0.284 -5.150 121 HD11 LEU 15 1HD1 LEU 15 4.192 -1.265 -6.528 122 HD12 LEU 15 2HD1 LEU 15 4.799 -1.279 -4.872 123 HD13 LEU 15 3HD1 LEU 15 5.694 -0.427 -6.132 124 HD21 LEU 15 3HD2 LEU 15 3.961 2.231 -4.103 125 HD22 LEU 15 1HD2 LEU 15 5.554 1.693 -4.639 126 HD23 LEU 15 2HD2 LEU 15 4.649 0.740 -3.462 127 H GLN 16 H GLN 16 1.532 2.602 -8.725 128 HA GLN 16 HA GLN 16 3.207 4.287 -10.355 129 HB2 GLN 16 2HB GLN 16 0.406 3.282 -10.919 130 HB3 GLN 16 3HB GLN 16 1.517 3.969 -12.095 131 HG2 GLN 16 2HG GLN 16 1.815 1.363 -10.618 132 HG3 GLN 16 3HG GLN 16 1.484 1.585 -12.334 133 HE21 GLN 16 1HE2 GLN 16 3.904 1.718 -9.848 134 HE22 GLN 16 2HE2 GLN 16 5.268 1.818 -10.901 135 H THR 17 H THR 17 0.172 4.686 -8.606 136 HA THR 17 HA THR 17 -0.685 7.126 -9.687 137 HB THR 17 HB THR 17 -1.112 6.076 -6.873 138 HG1 THR 17 HG1 THR 17 -1.920 4.751 -8.634 139 HG21 THR 17 3HG2 THR 17 -1.587 8.471 -6.966 140 HG22 THR 17 1HG2 THR 17 -3.085 7.552 -6.824 141 HG23 THR 17 2HG2 THR 17 -2.611 8.231 -8.382 142 H HIS 18 H HIS 18 1.243 6.590 -6.704 143 HA HIS 18 HA HIS 18 2.651 9.093 -7.235 144 HB2 HIS 18 2HB HIS 18 1.125 8.577 -4.678 145 HB3 HIS 18 3HB HIS 18 2.432 9.752 -4.777 146 HD1 HIS 18 HD1 HIS 18 1.959 11.490 -7.005 147 HD2 HIS 18 HD2 HIS 18 -1.260 9.774 -5.032 148 HE1 HIS 18 HE1 HIS 18 -0.011 12.942 -7.552 149 HE2 HIS 18 HE2 HIS 18 -1.976 11.769 -6.513 150 HA PRO 19 HA PRO 19 6.052 6.582 -6.068 151 HB2 PRO 19 2HB PRO 19 7.971 8.458 -5.717 152 HB3 PRO 19 3HB PRO 19 7.298 8.074 -7.306 153 HG2 PRO 19 2HG PRO 19 6.658 10.360 -5.480 154 HG3 PRO 19 3HG PRO 19 6.863 10.356 -7.242 155 HD2 PRO 19 2HD PRO 19 4.425 10.341 -5.990 156 HD3 PRO 19 3HD PRO 19 4.696 9.673 -7.609 157 H GLY 20 H GLY 20 5.039 9.105 -3.846 158 HA2 GLY 20 2HA GLY 20 6.686 8.503 -1.651 159 HA3 GLY 20 3HA GLY 20 5.095 9.240 -1.552 160 H VAL 21 H VAL 21 3.924 6.826 -2.919 161 HA VAL 21 HA VAL 21 3.011 5.412 -0.705 162 HB VAL 21 HB VAL 21 3.191 4.431 -3.569 163 HG11 VAL 21 1HG1 VAL 21 2.744 2.590 -2.044 164 HG12 VAL 21 2HG1 VAL 21 1.294 2.975 -2.972 165 HG13 VAL 21 3HG1 VAL 21 1.432 3.499 -1.294 166 HG21 VAL 21 3HG2 VAL 21 0.893 5.269 -3.786 167 HG22 VAL 21 1HG2 VAL 21 2.024 6.567 -3.408 168 HG23 VAL 21 2HG2 VAL 21 0.974 5.917 -2.146 169 H ALA 22 H ALA 22 5.733 4.696 -2.869 170 HA ALA 22 HA ALA 22 6.412 2.160 -1.908 171 HB1 ALA 22 3HB ALA 22 8.261 4.308 -2.953 172 HB2 ALA 22 1HB ALA 22 7.387 3.127 -3.930 173 HB3 ALA 22 2HB ALA 22 8.645 2.592 -2.816 174 H GLY 23 H GLY 23 7.623 5.350 -0.836 175 HA2 GLY 23 2HA GLY 23 9.306 4.457 1.227 176 HA3 GLY 23 3HA GLY 23 8.558 6.044 1.147 177 H VAL 24 H VAL 24 5.833 5.208 1.276 178 HA VAL 24 HA VAL 24 5.494 4.914 4.081 179 HB VAL 24 HB VAL 24 3.440 4.575 1.881 180 HG11 VAL 24 1HG1 VAL 24 2.672 3.595 3.974 181 HG12 VAL 24 2HG1 VAL 24 1.788 5.083 3.638 182 HG13 VAL 24 3HG1 VAL 24 3.077 5.076 4.842 183 HG21 VAL 24 3HG2 VAL 24 4.531 6.767 1.813 184 HG22 VAL 24 1HG2 VAL 24 4.153 7.017 3.517 185 HG23 VAL 24 2HG2 VAL 24 2.852 6.910 2.331 186 H LEU 25 H LEU 25 4.814 2.648 1.385 187 HA LEU 25 HA LEU 25 3.936 0.487 2.921 188 HB2 LEU 25 2HB LEU 25 5.459 0.423 0.308 189 HB3 LEU 25 3HB LEU 25 4.589 -0.935 0.998 190 HG LEU 25 HG LEU 25 3.376 1.652 0.004 191 HD11 LEU 25 1HD1 LEU 25 2.327 0.240 -1.689 192 HD12 LEU 25 2HD1 LEU 25 3.180 -1.168 -1.054 193 HD13 LEU 25 3HD1 LEU 25 4.087 0.159 -1.784 194 HD21 LEU 25 3HD2 LEU 25 2.011 -0.757 1.216 195 HD22 LEU 25 1HD2 LEU 25 1.204 0.633 0.487 196 HD23 LEU 25 2HD2 LEU 25 2.155 0.839 1.958 197 H ARG 26 H ARG 26 7.252 1.247 1.833 198 HA ARG 26 HA ARG 26 8.535 -0.949 3.039 199 HB2 ARG 26 2HB ARG 26 9.601 1.826 2.458 200 HB3 ARG 26 3HB ARG 26 10.597 0.434 2.872 201 HG2 ARG 26 2HG ARG 26 9.960 -0.703 0.853 202 HG3 ARG 26 3HG ARG 26 8.777 0.547 0.468 203 HD2 ARG 26 2HD ARG 26 10.730 0.891 -0.888 204 HD3 ARG 26 3HD ARG 26 10.635 2.188 0.303 205 HE ARG 26 HE ARG 26 12.352 -0.129 0.852 206 HH11 ARG 26 1HH1 ARG 26 12.021 3.221 0.173 207 HH12 ARG 26 2HH1 ARG 26 13.677 3.572 0.498 208 HH21 ARG 26 1HH2 ARG 26 14.490 0.318 1.248 209 HH22 ARG 26 2HH2 ARG 26 15.063 1.942 1.092 210 H SER 27 H SER 27 7.615 2.202 4.344 211 HA SER 27 HA SER 27 8.895 1.904 6.873 212 HB2 SER 27 2HB SER 27 8.199 4.109 6.080 213 HB3 SER 27 3HB SER 27 6.509 3.602 6.077 214 HG SER 27 HG SER 27 6.460 4.220 8.075 215 H TYR 28 H TYR 28 5.757 0.942 5.625 216 HA TYR 28 HA TYR 28 4.911 -0.055 8.247 217 HB2 TYR 28 2HB TYR 28 3.488 0.360 5.620 218 HB3 TYR 28 3HB TYR 28 2.764 -0.596 6.910 219 HD1 TYR 28 HD2 TYR 28 4.242 2.781 6.269 220 HD2 TYR 28 HD1 TYR 28 1.487 0.472 8.554 221 HE1 TYR 28 HE2 TYR 28 3.391 4.839 7.310 222 HE2 TYR 28 HE1 TYR 28 0.628 2.526 9.598 223 HH TYR 28 HH TYR 28 1.253 4.773 10.029 224 H ASN 29 H ASN 29 7.094 -1.352 6.754 225 HA ASN 29 HA ASN 29 7.906 -3.472 6.644 226 HB2 ASN 29 2HB ASN 29 6.493 -3.804 8.690 227 HB3 ASN 29 3HB ASN 29 5.201 -4.392 7.649 228 HD21 ASN 29 1HD2 ASN 29 8.301 -5.071 9.029 229 HD22 ASN 29 2HD2 ASN 29 8.346 -6.749 8.611 230 H LEU 30 H LEU 30 5.299 -2.470 4.771 231 HA LEU 30 HA LEU 30 4.841 -4.914 3.314 232 HB2 LEU 30 2HB LEU 30 4.027 -2.070 2.685 233 HB3 LEU 30 3HB LEU 30 3.456 -3.496 1.836 234 HG LEU 30 HG LEU 30 2.936 -2.848 4.748 235 HD11 LEU 30 1HD1 LEU 30 0.614 -2.559 4.036 236 HD12 LEU 30 2HD1 LEU 30 1.091 -2.821 2.359 237 HD13 LEU 30 3HD1 LEU 30 1.685 -1.409 3.235 238 HD21 LEU 30 3HD2 LEU 30 1.431 -4.789 4.698 239 HD22 LEU 30 1HD2 LEU 30 3.105 -5.255 4.395 240 HD23 LEU 30 2HD2 LEU 30 1.961 -5.157 3.056 241 H GLY 31 H GLY 31 7.480 -3.014 3.344 242 HA2 GLY 31 2HA GLY 31 8.065 -2.459 0.649 243 HA3 GLY 31 3HA GLY 31 9.252 -2.692 1.920 244 H CYS 32 H CYS 32 7.814 -5.500 2.156 245 HA CYS 32 HA CYS 32 9.666 -6.844 0.353 246 HB2 CYS 32 2HB CYS 32 7.844 -7.937 2.510 247 HB3 CYS 32 3HB CYS 32 8.972 -8.908 1.570 248 HG CYS 32 HG CYS 32 10.765 -8.696 3.382 249 H ILE 33 H ILE 33 6.760 -5.607 -0.273 250 HA ILE 33 HA ILE 33 5.147 -7.677 -1.220 251 HB ILE 33 HB ILE 33 4.218 -5.995 -2.860 252 HG12 ILE 33 2HG1 ILE 33 6.209 -4.158 -1.493 253 HG13 ILE 33 3HG1 ILE 33 6.272 -4.664 -3.177 254 HG21 ILE 33 1HG2 ILE 33 3.184 -4.614 -1.109 255 HG22 ILE 33 2HG2 ILE 33 4.388 -5.188 0.044 256 HG23 ILE 33 3HG2 ILE 33 3.237 -6.321 -0.664 257 HD11 ILE 33 3HD1 ILE 33 4.147 -2.960 -1.896 258 HD12 ILE 33 1HD1 ILE 33 4.129 -3.517 -3.572 259 HD13 ILE 33 2HD1 ILE 33 5.401 -2.430 -3.019 260 H GLY 34 H GLY 34 7.939 -6.166 -2.772 261 HA2 GLY 34 2HA GLY 34 7.601 -7.278 -5.350 262 HA3 GLY 34 3HA GLY 34 9.128 -6.755 -4.656 263 H CYS 35 H CYS 35 9.507 -8.460 -2.580 264 HA CYS 35 HA CYS 35 10.510 -10.786 -3.768 265 HB2 CYS 35 2HB CYS 35 11.402 -9.934 -1.676 266 HB3 CYS 35 3HB CYS 35 9.871 -10.237 -0.862 267 HG CYS 35 HG CYS 35 11.857 -12.708 -2.171 268 H MET 36 H MET 36 7.496 -10.320 -1.922 269 HA MET 36 HA MET 36 6.690 -13.075 -2.338 270 HB2 MET 36 2HB MET 36 4.627 -12.443 -1.154 271 HB3 MET 36 3HB MET 36 6.065 -11.976 -0.262 272 HG2 MET 36 2HG MET 36 5.791 -9.665 -1.097 273 HG3 MET 36 3HG MET 36 4.296 -10.159 -1.887 274 HE1 MET 36 3HE MET 36 3.051 -12.178 0.242 275 HE2 MET 36 1HE MET 36 2.107 -10.932 -0.574 276 HE3 MET 36 2HE MET 36 2.031 -11.088 1.181 277 H GLY 37 H GLY 37 6.652 -10.358 -4.267 278 HA2 GLY 37 2HA GLY 37 5.795 -10.007 -6.371 279 HA3 GLY 37 3HA GLY 37 5.164 -11.642 -6.323 280 H ALA 38 H ALA 38 4.255 -9.292 -3.911 281 HA ALA 38 HA ALA 38 1.466 -9.635 -4.599 282 HB1 ALA 38 3HB ALA 38 2.182 -9.709 -2.256 283 HB2 ALA 38 1HB ALA 38 1.010 -8.420 -2.531 284 HB3 ALA 38 2HB ALA 38 2.725 -8.034 -2.365 285 H GLN 39 H GLN 39 2.458 -8.395 -6.715 286 HA GLN 39 HA GLN 39 2.146 -5.514 -6.512 287 HB2 GLN 39 2HB GLN 39 2.519 -7.303 -8.929 288 HB3 GLN 39 3HB GLN 39 2.520 -5.545 -8.968 289 HG2 GLN 39 2HG GLN 39 4.495 -7.263 -7.470 290 HG3 GLN 39 3HG GLN 39 4.783 -6.482 -9.024 291 HE21 GLN 39 1HE2 GLN 39 4.418 -5.987 -5.597 292 HE22 GLN 39 2HE2 GLN 39 5.004 -4.365 -5.573 293 H ASN 40 H ASN 40 0.349 -8.238 -7.897 294 HA ASN 40 HA ASN 40 -1.864 -6.543 -8.724 295 HB2 ASN 40 2HB ASN 40 -1.711 -9.564 -8.757 296 HB3 ASN 40 3HB ASN 40 -2.821 -8.541 -9.665 297 HD21 ASN 40 1HD2 ASN 40 0.383 -9.802 -9.464 298 HD22 ASN 40 2HD2 ASN 40 0.910 -9.255 -11.016 299 H GLU 41 H GLU 41 -0.916 -7.989 -5.868 300 HA GLU 41 HA GLU 41 -3.495 -8.747 -4.865 301 HB2 GLU 41 2HB GLU 41 -1.336 -9.726 -4.070 302 HB3 GLU 41 3HB GLU 41 -0.957 -8.187 -3.310 303 HG2 GLU 41 2HG GLU 41 -2.652 -8.424 -1.711 304 HG3 GLU 41 3HG GLU 41 -3.477 -9.675 -2.641 305 H SER 42 H SER 42 -4.837 -7.612 -3.451 306 HA SER 42 HA SER 42 -4.818 -4.771 -3.782 307 HB2 SER 42 2HB SER 42 -6.615 -6.473 -2.032 308 HB3 SER 42 3HB SER 42 -6.908 -4.798 -2.502 309 HG SER 42 HG SER 42 -7.871 -5.626 -4.169 310 H LEU 43 H LEU 43 -4.746 -3.155 -2.165 311 HA LEU 43 HA LEU 43 -2.600 -3.273 -0.436 312 HB2 LEU 43 2HB LEU 43 -5.022 -1.475 -0.359 313 HB3 LEU 43 3HB LEU 43 -3.613 -1.230 0.657 314 HG LEU 43 HG LEU 43 -3.637 -1.150 -2.371 315 HD11 LEU 43 1HD1 LEU 43 -3.355 1.060 -0.333 316 HD12 LEU 43 2HD1 LEU 43 -4.735 0.789 -1.398 317 HD13 LEU 43 3HD1 LEU 43 -3.173 1.242 -2.079 318 HD21 LEU 43 3HD2 LEU 43 -1.321 -0.375 -2.158 319 HD22 LEU 43 1HD2 LEU 43 -1.521 -2.004 -1.513 320 HD23 LEU 43 2HD2 LEU 43 -1.395 -0.629 -0.413 321 H GLU 44 H GLU 44 -6.035 -3.795 0.393 322 HA GLU 44 HA GLU 44 -5.656 -4.065 3.172 323 HB2 GLU 44 2HB GLU 44 -7.875 -3.730 2.200 324 HB3 GLU 44 3HB GLU 44 -7.793 -5.308 1.426 325 HG2 GLU 44 2HG GLU 44 -7.801 -6.412 3.577 326 HG3 GLU 44 3HG GLU 44 -7.734 -4.859 4.408 327 H GLN 45 H GLN 45 -5.780 -6.546 0.632 328 HA GLN 45 HA GLN 45 -5.512 -8.821 2.207 329 HB2 GLN 45 2HB GLN 45 -4.370 -8.370 -0.563 330 HB3 GLN 45 3HB GLN 45 -4.675 -9.933 0.183 331 HG2 GLN 45 2HG GLN 45 -7.067 -9.480 0.202 332 HG3 GLN 45 3HG GLN 45 -6.782 -7.882 -0.484 333 HE21 GLN 45 1HE2 GLN 45 -8.017 -8.291 -2.311 334 HE22 GLN 45 2HE2 GLN 45 -7.506 -9.374 -3.558 335 H GLY 46 H GLY 46 -2.893 -6.983 0.599 336 HA2 GLY 46 2HA GLY 46 -0.750 -8.461 1.684 337 HA3 GLY 46 3HA GLY 46 -0.644 -6.828 1.051 338 H ALA 47 H ALA 47 -2.399 -5.564 2.912 339 HA ALA 47 HA ALA 47 -0.682 -4.949 5.036 340 HB1 ALA 47 3HB ALA 47 -2.475 -3.460 4.305 341 HB2 ALA 47 1HB ALA 47 -2.597 -3.786 6.034 342 HB3 ALA 47 2HB ALA 47 -3.681 -4.599 4.903 343 H ASN 48 H ASN 48 -3.696 -6.885 5.163 344 HA ASN 48 HA ASN 48 -3.364 -7.741 7.831 345 HB2 ASN 48 2HB ASN 48 -4.956 -8.928 5.550 346 HB3 ASN 48 3HB ASN 48 -5.036 -9.527 7.205 347 HD21 ASN 48 1HD2 ASN 48 -5.911 -6.970 5.054 348 HD22 ASN 48 2HD2 ASN 48 -6.952 -6.133 6.146 349 H ALA 49 H ALA 49 -2.138 -9.031 4.805 350 HA ALA 49 HA ALA 49 -1.229 -11.531 5.707 351 HB1 ALA 49 3HB ALA 49 0.317 -11.461 3.802 352 HB2 ALA 49 1HB ALA 49 -0.011 -9.738 3.598 353 HB3 ALA 49 2HB ALA 49 -1.297 -10.918 3.343 354 H HIS 50 H HIS 50 0.193 -8.313 6.008 355 HA HIS 50 HA HIS 50 2.587 -9.425 7.302 356 HB2 HIS 50 2HB HIS 50 1.935 -6.663 6.270 357 HB3 HIS 50 3HB HIS 50 3.379 -7.008 7.216 358 HD1 HIS 50 HD1 HIS 50 5.353 -7.311 5.772 359 HD2 HIS 50 HD2 HIS 50 1.889 -8.651 3.901 360 HE1 HIS 50 HE1 HIS 50 6.081 -8.126 3.515 361 HE2 HIS 50 HE2 HIS 50 4.004 -9.096 2.478 362 H GLY 51 H GLY 51 -0.379 -8.727 8.375 363 HA2 GLY 51 2HA GLY 51 -1.082 -8.689 10.592 364 HA3 GLY 51 3HA GLY 51 0.582 -8.449 11.088 365 H LEU 52 H LEU 52 -1.042 -6.325 8.800 366 HA LEU 52 HA LEU 52 -1.343 -4.268 10.909 367 HB2 LEU 52 2HB LEU 52 -0.408 -3.825 8.065 368 HB3 LEU 52 3HB LEU 52 -0.724 -2.557 9.234 369 HG LEU 52 HG LEU 52 1.451 -4.650 9.437 370 HD11 LEU 52 1HD1 LEU 52 2.984 -2.785 9.098 371 HD12 LEU 52 2HD1 LEU 52 1.619 -1.683 8.906 372 HD13 LEU 52 3HD1 LEU 52 1.891 -2.965 7.726 373 HD21 LEU 52 3HD2 LEU 52 0.819 -2.329 11.268 374 HD22 LEU 52 1HD2 LEU 52 2.227 -3.388 11.385 375 HD23 LEU 52 2HD2 LEU 52 0.610 -4.040 11.645 376 H ASN 53 H ASN 53 -2.920 -2.508 10.280 377 HA ASN 53 HA ASN 53 -5.138 -3.647 8.713 378 HB2 ASN 53 2HB ASN 53 -5.648 -2.900 11.033 379 HB3 ASN 53 3HB ASN 53 -5.199 -1.258 10.576 380 HD21 ASN 53 1HD2 ASN 53 -7.277 -0.490 11.025 381 HD22 ASN 53 2HD2 ASN 53 -8.625 -0.837 9.997 382 H VAL 54 H VAL 54 -5.850 -2.727 6.874 383 HA VAL 54 HA VAL 54 -4.032 -1.208 5.372 384 HB VAL 54 HB VAL 54 -5.664 -2.808 4.424 385 HG11 VAL 54 1HG1 VAL 54 -7.627 -2.186 5.739 386 HG12 VAL 54 2HG1 VAL 54 -7.975 -2.122 4.012 387 HG13 VAL 54 3HG1 VAL 54 -7.700 -0.630 4.911 388 HG21 VAL 54 3HG2 VAL 54 -4.537 -1.242 2.947 389 HG22 VAL 54 1HG2 VAL 54 -5.777 -0.023 3.254 390 HG23 VAL 54 2HG2 VAL 54 -6.192 -1.507 2.396 391 H GLU 55 H GLU 55 -6.792 -0.175 7.290 392 HA GLU 55 HA GLU 55 -7.314 2.265 5.980 393 HB2 GLU 55 2HB GLU 55 -7.865 1.450 8.839 394 HB3 GLU 55 3HB GLU 55 -8.529 2.884 8.061 395 HG2 GLU 55 2HG GLU 55 -9.678 1.496 6.429 396 HG3 GLU 55 3HG GLU 55 -8.977 0.047 7.146 397 H ASP 56 H ASP 56 -5.331 1.641 8.896 398 HA ASP 56 HA ASP 56 -4.456 4.251 9.348 399 HB2 ASP 56 2HB ASP 56 -4.037 2.378 10.896 400 HB3 ASP 56 3HB ASP 56 -2.906 1.677 9.744 401 H ILE 57 H ILE 57 -3.135 1.785 7.170 402 HA ILE 57 HA ILE 57 -0.927 3.274 6.212 403 HB ILE 57 HB ILE 57 -2.478 1.141 4.722 404 HG12 ILE 57 2HG1 ILE 57 -0.115 0.811 6.599 405 HG13 ILE 57 3HG1 ILE 57 -1.779 0.397 6.997 406 HG21 ILE 57 1HG2 ILE 57 -0.910 2.394 3.320 407 HG22 ILE 57 2HG2 ILE 57 -0.359 0.736 3.554 408 HG23 ILE 57 3HG2 ILE 57 0.395 2.051 4.456 409 HD11 ILE 57 3HD1 ILE 57 -0.473 -1.565 6.400 410 HD12 ILE 57 1HD1 ILE 57 -0.128 -0.866 4.818 411 HD13 ILE 57 2HD1 ILE 57 -1.784 -1.296 5.251 412 H LEU 58 H LEU 58 -4.201 2.797 4.856 413 HA LEU 58 HA LEU 58 -3.965 4.380 2.576 414 HB2 LEU 58 2HB LEU 58 -6.382 3.865 4.316 415 HB3 LEU 58 3HB LEU 58 -6.459 4.642 2.746 416 HG LEU 58 HG LEU 58 -5.533 1.810 3.260 417 HD11 LEU 58 1HD1 LEU 58 -8.080 2.852 2.017 418 HD12 LEU 58 2HD1 LEU 58 -7.932 2.073 3.592 419 HD13 LEU 58 3HD1 LEU 58 -7.599 1.159 2.123 420 HD21 LEU 58 3HD2 LEU 58 -5.542 1.589 0.816 421 HD22 LEU 58 1HD2 LEU 58 -4.374 2.796 1.357 422 HD23 LEU 58 2HD2 LEU 58 -5.913 3.306 0.663 423 H ARG 59 H ARG 59 -4.794 5.310 5.887 424 HA ARG 59 HA ARG 59 -5.495 7.965 5.495 425 HB2 ARG 59 2HB ARG 59 -5.738 6.941 7.657 426 HB3 ARG 59 3HB ARG 59 -4.008 6.656 7.783 427 HG2 ARG 59 2HG ARG 59 -3.556 8.966 8.090 428 HG3 ARG 59 3HG ARG 59 -5.196 9.419 7.626 429 HD2 ARG 59 2HD ARG 59 -4.822 9.549 10.063 430 HD3 ARG 59 3HD ARG 59 -6.092 8.408 9.627 431 HE ARG 59 HE ARG 59 -3.668 7.007 9.866 432 HH11 ARG 59 1HH1 ARG 59 -5.979 8.665 11.804 433 HH12 ARG 59 2HH1 ARG 59 -5.617 7.753 13.225 434 HH21 ARG 59 1HH2 ARG 59 -3.236 5.805 11.696 435 HH22 ARG 59 2HH2 ARG 59 -4.082 6.154 13.164 436 H ASP 60 H ASP 60 -2.228 6.612 5.976 437 HA ASP 60 HA ASP 60 -0.912 9.133 5.683 438 HB2 ASP 60 2HB ASP 60 -0.104 6.894 6.813 439 HB3 ASP 60 3HB ASP 60 0.491 6.521 5.198 440 H LEU 61 H LEU 61 -1.642 6.455 3.472 441 HA LEU 61 HA LEU 61 -0.143 7.323 1.254 442 HB2 LEU 61 2HB LEU 61 -2.703 5.719 1.361 443 HB3 LEU 61 3HB LEU 61 -1.742 5.940 -0.090 444 HG LEU 61 HG LEU 61 -0.836 4.530 2.430 445 HD11 LEU 61 1HD1 LEU 61 -0.885 2.508 1.037 446 HD12 LEU 61 2HD1 LEU 61 -1.560 3.448 -0.294 447 HD13 LEU 61 3HD1 LEU 61 -2.483 3.238 1.194 448 HD21 LEU 61 3HD2 LEU 61 1.018 5.665 1.321 449 HD22 LEU 61 1HD2 LEU 61 0.578 4.910 -0.212 450 HD23 LEU 61 2HD2 LEU 61 1.147 3.918 1.131 451 H ASN 62 H ASN 62 -3.615 7.857 1.951 452 HA ASN 62 HA ASN 62 -4.023 9.591 -0.258 453 HB2 ASN 62 2HB ASN 62 -5.617 9.160 2.275 454 HB3 ASN 62 3HB ASN 62 -6.131 10.259 0.998 455 HD21 ASN 62 1HD2 ASN 62 -5.772 6.962 1.949 456 HD22 ASN 62 2HD2 ASN 62 -6.569 6.262 0.588 457 H ALA 63 H ALA 63 -2.842 10.108 2.993 458 HA ALA 63 HA ALA 63 -3.050 12.902 3.142 459 HB1 ALA 63 3HB ALA 63 -2.391 11.502 5.044 460 HB2 ALA 63 1HB ALA 63 -1.232 12.802 4.765 461 HB3 ALA 63 2HB ALA 63 -0.852 11.156 4.256 462 H LEU 64 H LEU 64 -0.897 10.872 1.292 463 HA LEU 64 HA LEU 64 1.062 12.820 0.619 464 HB2 LEU 64 2HB LEU 64 0.172 10.393 -0.946 465 HB3 LEU 64 3HB LEU 64 1.646 11.299 -1.224 466 HG LEU 64 HG LEU 64 1.011 9.751 1.297 467 HD11 LEU 64 1HD1 LEU 64 2.869 9.065 -0.981 468 HD12 LEU 64 2HD1 LEU 64 1.343 8.265 -0.608 469 HD13 LEU 64 3HD1 LEU 64 2.692 8.157 0.522 470 HD21 LEU 64 3HD2 LEU 64 3.554 11.134 0.423 471 HD22 LEU 64 1HD2 LEU 64 3.368 10.129 1.862 472 HD23 LEU 64 2HD2 LEU 64 2.483 11.647 1.728 473 H ALA 65 H ALA 65 -2.156 12.214 -0.540 474 HA ALA 65 HA ALA 65 -1.852 13.951 -2.868 475 HB1 ALA 65 3HB ALA 65 -4.297 12.558 -1.762 476 HB2 ALA 65 1HB ALA 65 -3.270 11.973 -3.072 477 HB3 ALA 65 2HB ALA 65 -4.222 13.444 -3.286 478 H LEU 66 H LEU 66 -3.218 14.021 0.367 479 HA LEU 66 HA LEU 66 -4.569 16.517 0.135 480 HB2 LEU 66 2HB LEU 66 -3.491 15.165 2.616 481 HB3 LEU 66 3HB LEU 66 -4.687 16.448 2.579 482 HG LEU 66 HG LEU 66 -5.057 13.642 1.507 483 HD11 LEU 66 1HD1 LEU 66 -6.268 15.022 3.903 484 HD12 LEU 66 2HD1 LEU 66 -5.071 13.727 3.937 485 HD13 LEU 66 3HD1 LEU 66 -6.690 13.411 3.317 486 HD21 LEU 66 3HD2 LEU 66 -6.997 15.956 1.587 487 HD22 LEU 66 1HD2 LEU 66 -7.386 14.299 1.120 488 HD23 LEU 66 2HD2 LEU 66 -6.272 15.252 0.141 489 H GLU 67 H GLU 67 -1.471 15.647 1.672 490 HA GLU 67 HA GLU 67 0.464 16.754 2.023 491 HB2 GLU 67 2HB GLU 67 -0.557 18.493 -0.228 492 HB3 GLU 67 3HB GLU 67 1.076 18.573 0.422 493 HG2 GLU 67 2HG GLU 67 1.456 16.245 -0.229 494 HG3 GLU 67 3HG GLU 67 -0.183 16.156 -0.872 495 H HIS 68 H HIS 68 -2.437 18.249 2.758 496 HA HIS 68 HA HIS 68 -1.517 20.817 3.573 497 HB2 HIS 68 2HB HIS 68 -3.980 19.292 4.457 498 HB3 HIS 68 3HB HIS 68 -3.688 21.008 4.723 499 HD1 HIS 68 HD1 HIS 68 -2.956 22.124 2.108 500 HD2 HIS 68 HD2 HIS 68 -5.747 19.057 2.420 501 HE1 HIS 68 HE1 HIS 68 -4.314 22.227 0.002 502 HE2 HIS 68 HE2 HIS 68 -5.905 20.295 0.158 503 H HIS 69 H HIS 69 -2.083 17.775 5.329 504 HA HIS 69 HA HIS 69 -1.056 18.883 7.803 505 HB2 HIS 69 2HB HIS 69 -1.889 16.068 7.066 506 HB3 HIS 69 3HB HIS 69 -1.388 16.570 8.679 507 HD1 HIS 69 HD1 HIS 69 -4.359 15.991 6.845 508 HD2 HIS 69 HD2 HIS 69 -3.146 18.929 9.522 509 HE1 HIS 69 HE1 HIS 69 -6.470 17.077 7.662 510 HE2 HIS 69 HE2 HIS 69 -5.715 18.861 9.259 511 H HIS 70 H HIS 70 1.051 19.337 7.773 512 HA HIS 70 HA HIS 70 2.893 17.768 6.154 513 HB2 HIS 70 2HB HIS 70 2.771 20.294 6.161 514 HB3 HIS 70 3HB HIS 70 3.447 20.259 7.785 515 HD1 HIS 70 HD1 HIS 70 5.940 19.897 8.003 516 HD2 HIS 70 HD2 HIS 70 4.580 19.527 4.100 517 HE1 HIS 70 HE1 HIS 70 8.001 19.847 6.578 518 HE2 HIS 70 HE2 HIS 70 7.161 19.467 4.241 519 H HIS 71 H HIS 71 1.978 16.336 8.426 520 HA HIS 71 HA HIS 71 2.728 14.992 10.099 521 HB2 HIS 71 2HB HIS 71 5.475 15.856 9.153 522 HB3 HIS 71 3HB HIS 71 5.147 14.500 10.229 523 HD1 HIS 71 HD1 HIS 71 5.899 15.110 6.847 524 HD2 HIS 71 HD2 HIS 71 3.189 12.626 8.781 525 HE1 HIS 71 HE1 HIS 71 5.320 13.322 5.184 526 HE2 HIS 71 HE2 HIS 71 3.819 11.742 6.436 527 H HIS 72 H HIS 72 2.344 17.959 10.549 528 HA HIS 72 HA HIS 72 4.278 18.862 12.428 529 HB2 HIS 72 2HB HIS 72 2.856 20.751 12.783 530 HB3 HIS 72 3HB HIS 72 2.723 20.336 11.080 531 HD1 HIS 72 HD1 HIS 72 0.728 20.850 14.102 532 HD2 HIS 72 HD2 HIS 72 0.225 18.965 10.437 533 HE1 HIS 72 HE1 HIS 72 -1.741 20.508 13.859 534 HE2 HIS 72 HE2 HIS 72 -1.995 19.169 11.748 535 H HIS 73 H HIS 73 1.506 16.825 12.748 536 HA HIS 73 HA HIS 73 0.352 15.923 14.483 537 HB2 HIS 73 2HB HIS 73 2.568 15.000 15.033 538 HB3 HIS 73 3HB HIS 73 2.936 16.430 15.990 539 HD1 HIS 73 HD1 HIS 73 1.479 16.737 18.213 540 HD2 HIS 73 HD2 HIS 73 1.187 13.024 16.371 541 HE1 HIS 73 HE1 HIS 73 0.505 15.206 19.943 542 HE2 HIS 73 HE2 HIS 73 0.522 12.935 18.870 Start of MODEL 16 1 H1 MET 1 1H MET 1 -17.460 11.331 -0.136 2 H2 MET 1 2H MET 1 -18.119 10.947 -1.641 3 H3 MET 1 3H MET 1 -17.971 12.565 -1.174 4 HA MET 1 HA MET 1 -16.281 11.961 -2.777 5 HB2 MET 1 2HB MET 1 -14.310 12.726 -1.477 6 HB3 MET 1 3HB MET 1 -15.740 13.703 -1.178 7 HG2 MET 1 2HG MET 1 -16.114 12.534 0.932 8 HG3 MET 1 3HG MET 1 -14.704 11.521 0.627 9 HE1 MET 1 3HE MET 1 -14.443 16.082 1.319 10 HE2 MET 1 1HE MET 1 -15.964 15.188 1.298 11 HE3 MET 1 2HE MET 1 -15.025 15.367 -0.186 12 H THR 2 H THR 2 -15.134 10.331 -3.662 13 HA THR 2 HA THR 2 -14.582 7.938 -2.058 14 HB THR 2 HB THR 2 -15.606 7.540 -4.237 15 HG1 THR 2 HG1 THR 2 -13.328 6.447 -5.041 16 HG21 THR 2 3HG2 THR 2 -13.125 8.808 -5.426 17 HG22 THR 2 1HG2 THR 2 -14.745 9.510 -5.432 18 HG23 THR 2 2HG2 THR 2 -14.424 8.026 -6.327 19 H GLN 3 H GLN 3 -12.499 6.961 -1.973 20 HA GLN 3 HA GLN 3 -10.343 8.918 -1.878 21 HB2 GLN 3 2HB GLN 3 -10.570 6.060 -0.927 22 HB3 GLN 3 3HB GLN 3 -9.068 6.970 -0.848 23 HG2 GLN 3 2HG GLN 3 -10.117 8.612 0.611 24 HG3 GLN 3 3HG GLN 3 -11.647 7.741 0.509 25 HE21 GLN 3 1HE2 GLN 3 -8.598 6.054 0.688 26 HE22 GLN 3 2HE2 GLN 3 -8.802 5.470 2.297 27 H LYS 4 H LYS 4 -8.696 9.067 -3.295 28 HA LYS 4 HA LYS 4 -8.473 7.522 -5.644 29 HB2 LYS 4 2HB LYS 4 -6.410 9.204 -4.194 30 HB3 LYS 4 3HB LYS 4 -6.158 8.509 -5.788 31 HG2 LYS 4 2HG LYS 4 -8.337 10.475 -5.084 32 HG3 LYS 4 3HG LYS 4 -6.808 10.888 -5.862 33 HD2 LYS 4 2HD LYS 4 -8.937 9.047 -6.978 34 HD3 LYS 4 3HD LYS 4 -8.612 10.700 -7.507 35 HE2 LYS 4 2HE LYS 4 -6.328 9.992 -8.173 36 HE3 LYS 4 3HE LYS 4 -6.734 8.338 -7.722 37 HZ1 LYS 4 3HZ LYS 4 -8.536 8.418 -9.386 38 HZ2 LYS 4 1HZ LYS 4 -7.002 8.602 -10.069 39 HZ3 LYS 4 2HZ LYS 4 -8.005 9.947 -9.869 40 H PHE 5 H PHE 5 -6.792 7.314 -2.531 41 HA PHE 5 HA PHE 5 -5.685 4.699 -3.282 42 HB2 PHE 5 2HB PHE 5 -5.128 6.423 -0.849 43 HB3 PHE 5 3HB PHE 5 -4.315 4.909 -1.242 44 HD1 PHE 5 HD2 PHE 5 -2.703 4.801 -3.071 45 HD2 PHE 5 HD1 PHE 5 -4.632 8.459 -2.047 46 HE1 PHE 5 HE2 PHE 5 -1.055 6.044 -4.410 47 HE2 PHE 5 HE1 PHE 5 -2.989 9.704 -3.387 48 HZ PHE 5 HZ PHE 5 -1.199 8.496 -4.569 49 H THR 6 H THR 6 -7.126 3.124 -2.982 50 HA THR 6 HA THR 6 -8.701 3.060 -0.471 51 HB THR 6 HB THR 6 -10.256 3.269 -2.272 52 HG1 THR 6 HG1 THR 6 -11.468 1.646 -1.614 53 HG21 THR 6 3HG2 THR 6 -10.306 1.726 -4.188 54 HG22 THR 6 1HG2 THR 6 -8.824 0.966 -3.610 55 HG23 THR 6 2HG2 THR 6 -8.804 2.651 -4.136 56 H LYS 7 H LYS 7 -9.336 0.792 0.193 57 HA LYS 7 HA LYS 7 -6.933 -0.749 0.491 58 HB2 LYS 7 2HB LYS 7 -8.331 -2.245 1.874 59 HB3 LYS 7 3HB LYS 7 -8.477 -0.559 2.348 60 HG2 LYS 7 2HG LYS 7 -10.620 -0.386 1.234 61 HG3 LYS 7 3HG LYS 7 -10.464 -2.032 0.618 62 HD2 LYS 7 2HD LYS 7 -11.943 -2.006 2.545 63 HD3 LYS 7 3HD LYS 7 -10.464 -2.883 2.935 64 HE2 LYS 7 2HE LYS 7 -9.598 -0.831 4.039 65 HE3 LYS 7 3HE LYS 7 -11.147 -0.049 3.726 66 HZ1 LYS 7 3HZ LYS 7 -12.212 -1.822 5.040 67 HZ2 LYS 7 1HZ LYS 7 -11.119 -0.908 5.954 68 HZ3 LYS 7 2HZ LYS 7 -10.691 -2.453 5.408 69 H ASP 8 H ASP 8 -9.410 -0.760 -1.838 70 HA ASP 8 HA ASP 8 -9.308 -3.592 -2.447 71 HB2 ASP 8 2HB ASP 8 -11.401 -2.361 -2.744 72 HB3 ASP 8 3HB ASP 8 -10.631 -1.299 -3.920 73 H MET 9 H MET 9 -7.934 -0.624 -3.809 74 HA MET 9 HA MET 9 -7.055 -1.712 -6.262 75 HB2 MET 9 2HB MET 9 -5.655 0.270 -6.456 76 HB3 MET 9 3HB MET 9 -7.242 0.710 -5.842 77 HG2 MET 9 2HG MET 9 -6.233 0.671 -3.534 78 HG3 MET 9 3HG MET 9 -4.658 0.533 -4.311 79 HE1 MET 9 3HE MET 9 -3.702 2.388 -6.010 80 HE2 MET 9 1HE MET 9 -4.543 3.894 -6.377 81 HE3 MET 9 2HE MET 9 -5.198 2.360 -6.946 82 H THR 10 H THR 10 -4.914 -2.297 -6.941 83 HA THR 10 HA THR 10 -3.588 -3.969 -4.988 84 HB THR 10 HB THR 10 -2.227 -4.792 -6.823 85 HG1 THR 10 HG1 THR 10 -2.988 -3.734 -8.992 86 HG21 THR 10 3HG2 THR 10 -5.101 -4.426 -7.703 87 HG22 THR 10 1HG2 THR 10 -4.503 -5.692 -6.629 88 HG23 THR 10 2HG2 THR 10 -3.978 -5.643 -8.312 89 H PHE 11 H PHE 11 -1.300 -3.952 -4.580 90 HA PHE 11 HA PHE 11 -0.214 -1.532 -3.785 91 HB2 PHE 11 2HB PHE 11 1.210 -4.101 -4.524 92 HB3 PHE 11 3HB PHE 11 1.981 -2.750 -3.704 93 HD1 PHE 11 HD2 PHE 11 1.314 -2.147 -1.404 94 HD2 PHE 11 HD1 PHE 11 -0.212 -5.621 -3.340 95 HE1 PHE 11 HE2 PHE 11 0.598 -3.040 0.772 96 HE2 PHE 11 HE1 PHE 11 -0.927 -6.519 -1.165 97 HZ PHE 11 HZ PHE 11 -0.525 -5.229 0.893 98 H ALA 12 H ALA 12 0.338 -3.278 -6.832 99 HA ALA 12 HA ALA 12 2.315 -1.663 -7.945 100 HB1 ALA 12 3HB ALA 12 1.616 -3.819 -8.886 101 HB2 ALA 12 1HB ALA 12 1.622 -2.547 -10.106 102 HB3 ALA 12 2HB ALA 12 0.096 -3.096 -9.412 103 H GLN 13 H GLN 13 -1.228 -1.367 -8.301 104 HA GLN 13 HA GLN 13 -1.295 0.875 -9.963 105 HB2 GLN 13 2HB GLN 13 -3.256 0.142 -7.773 106 HB3 GLN 13 3HB GLN 13 -3.573 1.248 -9.102 107 HG2 GLN 13 2HG GLN 13 -3.403 -0.539 -10.705 108 HG3 GLN 13 3HG GLN 13 -2.902 -1.670 -9.450 109 HE21 GLN 13 1HE2 GLN 13 -5.435 0.729 -9.074 110 HE22 GLN 13 2HE2 GLN 13 -6.734 -0.399 -8.954 111 H ALA 14 H ALA 14 -1.380 0.745 -6.397 112 HA ALA 14 HA ALA 14 -1.496 3.481 -5.868 113 HB1 ALA 14 3HB ALA 14 -1.819 1.763 -4.159 114 HB2 ALA 14 1HB ALA 14 -0.598 2.933 -3.655 115 HB3 ALA 14 2HB ALA 14 -0.109 1.343 -4.244 116 H LEU 15 H LEU 15 1.402 1.415 -6.181 117 HA LEU 15 HA LEU 15 3.361 3.360 -5.768 118 HB2 LEU 15 2HB LEU 15 3.444 0.901 -7.521 119 HB3 LEU 15 3HB LEU 15 4.854 1.845 -7.075 120 HG LEU 15 HG LEU 15 3.069 0.361 -5.136 121 HD11 LEU 15 1HD1 LEU 15 4.357 -1.168 -6.533 122 HD12 LEU 15 2HD1 LEU 15 4.953 -1.172 -4.874 123 HD13 LEU 15 3HD1 LEU 15 5.841 -0.303 -6.127 124 HD21 LEU 15 3HD2 LEU 15 4.071 2.341 -4.131 125 HD22 LEU 15 1HD2 LEU 15 5.666 1.838 -4.693 126 HD23 LEU 15 2HD2 LEU 15 4.811 0.875 -3.486 127 H GLN 16 H GLN 16 1.613 2.529 -8.726 128 HA GLN 16 HA GLN 16 3.172 4.322 -10.376 129 HB2 GLN 16 2HB GLN 16 0.571 2.890 -10.970 130 HB3 GLN 16 3HB GLN 16 1.564 3.732 -12.150 131 HG2 GLN 16 2HG GLN 16 2.341 1.272 -10.587 132 HG3 GLN 16 3HG GLN 16 1.910 1.338 -12.293 133 HE21 GLN 16 1HE2 GLN 16 4.343 2.034 -9.933 134 HE22 GLN 16 2HE2 GLN 16 5.624 2.351 -11.041 135 H THR 17 H THR 17 0.425 4.625 -8.344 136 HA THR 17 HA THR 17 -0.723 6.925 -9.666 137 HB THR 17 HB THR 17 -1.276 5.822 -6.894 138 HG1 THR 17 HG1 THR 17 -1.777 4.512 -8.874 139 HG21 THR 17 3HG2 THR 17 -1.950 8.171 -7.082 140 HG22 THR 17 1HG2 THR 17 -3.363 7.118 -7.019 141 HG23 THR 17 2HG2 THR 17 -2.844 7.807 -8.558 142 H HIS 18 H HIS 18 1.324 6.390 -6.809 143 HA HIS 18 HA HIS 18 2.321 9.119 -7.037 144 HB2 HIS 18 2HB HIS 18 0.656 8.166 -4.761 145 HB3 HIS 18 3HB HIS 18 2.078 9.111 -4.344 146 HD1 HIS 18 HD1 HIS 18 -0.860 9.486 -6.764 147 HD2 HIS 18 HD2 HIS 18 1.554 11.748 -4.258 148 HE1 HIS 18 HE1 HIS 18 -1.781 11.811 -6.870 149 HE2 HIS 18 HE2 HIS 18 -0.153 13.193 -5.555 150 HA PRO 19 HA PRO 19 6.125 6.874 -6.336 151 HB2 PRO 19 2HB PRO 19 7.147 9.562 -5.549 152 HB3 PRO 19 3HB PRO 19 7.762 8.433 -6.762 153 HG2 PRO 19 2HG PRO 19 6.451 10.628 -7.509 154 HG3 PRO 19 3HG PRO 19 6.202 9.090 -8.359 155 HD2 PRO 19 2HD PRO 19 4.455 10.435 -6.324 156 HD3 PRO 19 3HD PRO 19 4.000 9.579 -7.814 157 H GLY 20 H GLY 20 4.984 9.245 -3.936 158 HA2 GLY 20 2HA GLY 20 6.693 8.550 -1.817 159 HA3 GLY 20 3HA GLY 20 5.123 9.314 -1.647 160 H VAL 21 H VAL 21 3.960 6.838 -3.075 161 HA VAL 21 HA VAL 21 3.078 5.447 -0.812 162 HB VAL 21 HB VAL 21 3.162 4.509 -3.693 163 HG11 VAL 21 1HG1 VAL 21 2.883 2.609 -2.177 164 HG12 VAL 21 2HG1 VAL 21 1.392 2.930 -3.062 165 HG13 VAL 21 3HG1 VAL 21 1.542 3.431 -1.378 166 HG21 VAL 21 3HG2 VAL 21 0.963 5.842 -2.100 167 HG22 VAL 21 1HG2 VAL 21 0.811 5.239 -3.752 168 HG23 VAL 21 2HG2 VAL 21 1.902 6.581 -3.397 169 H ALA 22 H ALA 22 5.835 4.847 -2.930 170 HA ALA 22 HA ALA 22 6.538 2.267 -2.103 171 HB1 ALA 22 3HB ALA 22 8.395 4.508 -2.922 172 HB2 ALA 22 1HB ALA 22 7.559 3.411 -4.024 173 HB3 ALA 22 2HB ALA 22 8.780 2.786 -2.914 174 H GLY 23 H GLY 23 7.550 5.423 -0.771 175 HA2 GLY 23 2HA GLY 23 9.163 4.415 1.319 176 HA3 GLY 23 3HA GLY 23 8.424 6.006 1.277 177 H VAL 24 H VAL 24 5.714 5.250 1.238 178 HA VAL 24 HA VAL 24 5.154 4.887 3.970 179 HB VAL 24 HB VAL 24 3.302 4.434 1.613 180 HG11 VAL 24 1HG1 VAL 24 2.404 3.422 3.640 181 HG12 VAL 24 2HG1 VAL 24 1.485 4.869 3.223 182 HG13 VAL 24 3HG1 VAL 24 2.668 4.923 4.530 183 HG21 VAL 24 3HG2 VAL 24 3.794 6.906 3.279 184 HG22 VAL 24 1HG2 VAL 24 2.553 6.740 2.037 185 HG23 VAL 24 2HG2 VAL 24 4.258 6.673 1.594 186 H LEU 25 H LEU 25 4.704 2.591 1.263 187 HA LEU 25 HA LEU 25 3.818 0.423 2.799 188 HB2 LEU 25 2HB LEU 25 5.319 0.399 0.175 189 HB3 LEU 25 3HB LEU 25 4.469 -0.977 0.857 190 HG LEU 25 HG LEU 25 3.203 1.624 -0.032 191 HD11 LEU 25 1HD1 LEU 25 2.172 0.269 -1.787 192 HD12 LEU 25 2HD1 LEU 25 3.087 -1.137 -1.239 193 HD13 LEU 25 3HD1 LEU 25 3.931 0.261 -1.904 194 HD21 LEU 25 3HD2 LEU 25 1.933 -0.879 1.090 195 HD22 LEU 25 1HD2 LEU 25 1.061 0.486 0.390 196 HD23 LEU 25 2HD2 LEU 25 1.998 0.704 1.865 197 H ARG 26 H ARG 26 7.133 1.294 1.811 198 HA ARG 26 HA ARG 26 8.465 -0.877 3.009 199 HB2 ARG 26 2HB ARG 26 9.330 1.954 2.419 200 HB3 ARG 26 3HB ARG 26 10.425 0.784 3.148 201 HG2 ARG 26 2HG ARG 26 10.208 -0.667 1.218 202 HG3 ARG 26 3HG ARG 26 9.035 0.435 0.495 203 HD2 ARG 26 2HD ARG 26 11.344 0.648 -0.427 204 HD3 ARG 26 3HD ARG 26 10.690 2.141 0.240 205 HE ARG 26 HE ARG 26 12.250 2.053 1.956 206 HH11 ARG 26 1HH1 ARG 26 12.435 -0.842 0.079 207 HH12 ARG 26 2HH1 ARG 26 13.985 -1.271 0.712 208 HH21 ARG 26 1HH2 ARG 26 14.221 1.481 2.745 209 HH22 ARG 26 2HH2 ARG 26 14.990 0.033 2.195 210 H SER 27 H SER 27 7.605 2.304 4.350 211 HA SER 27 HA SER 27 8.701 2.014 6.906 212 HB2 SER 27 2HB SER 27 7.820 4.157 6.121 213 HB3 SER 27 3HB SER 27 6.185 3.499 6.081 214 HG SER 27 HG SER 27 6.125 4.309 8.031 215 H TYR 28 H TYR 28 5.513 1.021 5.687 216 HA TYR 28 HA TYR 28 4.753 -0.157 8.233 217 HB2 TYR 28 2HB TYR 28 3.395 0.073 5.550 218 HB3 TYR 28 3HB TYR 28 2.718 -0.909 6.845 219 HD1 TYR 28 HD2 TYR 28 3.669 2.564 5.913 220 HD2 TYR 28 HD1 TYR 28 1.505 0.087 8.622 221 HE1 TYR 28 HE2 TYR 28 2.556 4.552 6.836 222 HE2 TYR 28 HE1 TYR 28 0.391 2.072 9.554 223 HH TYR 28 HH TYR 28 0.432 4.336 9.641 224 H ASN 29 H ASN 29 7.042 -1.251 6.449 225 HA ASN 29 HA ASN 29 8.047 -3.286 6.278 226 HB2 ASN 29 2HB ASN 29 7.056 -3.727 8.501 227 HB3 ASN 29 3HB ASN 29 5.603 -4.344 7.726 228 HD21 ASN 29 1HD2 ASN 29 8.967 -4.942 8.381 229 HD22 ASN 29 2HD2 ASN 29 8.940 -6.625 8.004 230 H LEU 30 H LEU 30 5.263 -2.494 4.684 231 HA LEU 30 HA LEU 30 4.709 -4.994 3.362 232 HB2 LEU 30 2HB LEU 30 3.811 -2.191 2.671 233 HB3 LEU 30 3HB LEU 30 3.198 -3.661 1.938 234 HG LEU 30 HG LEU 30 2.873 -2.847 4.834 235 HD11 LEU 30 1HD1 LEU 30 0.500 -2.680 4.274 236 HD12 LEU 30 2HD1 LEU 30 0.864 -3.070 2.593 237 HD13 LEU 30 3HD1 LEU 30 1.467 -1.572 3.300 238 HD21 LEU 30 3HD2 LEU 30 1.857 -5.300 3.391 239 HD22 LEU 30 1HD2 LEU 30 1.443 -4.824 5.039 240 HD23 LEU 30 2HD2 LEU 30 3.102 -5.270 4.641 241 H GLY 31 H GLY 31 7.238 -2.863 3.020 242 HA2 GLY 31 2HA GLY 31 7.613 -2.531 0.277 243 HA3 GLY 31 3HA GLY 31 8.910 -2.672 1.447 244 H CYS 32 H CYS 32 7.736 -5.464 2.068 245 HA CYS 32 HA CYS 32 9.469 -6.962 0.388 246 HB2 CYS 32 2HB CYS 32 7.226 -7.987 2.143 247 HB3 CYS 32 3HB CYS 32 8.580 -8.926 1.524 248 HG CYS 32 HG CYS 32 8.404 -6.931 4.199 249 H ILE 33 H ILE 33 6.320 -5.791 -0.168 250 HA ILE 33 HA ILE 33 5.129 -7.728 -1.771 251 HB ILE 33 HB ILE 33 4.026 -5.861 -2.994 252 HG12 ILE 33 2HG1 ILE 33 5.767 -4.096 -1.241 253 HG13 ILE 33 3HG1 ILE 33 5.950 -4.293 -2.979 254 HG21 ILE 33 1HG2 ILE 33 2.845 -4.937 -1.026 255 HG22 ILE 33 2HG2 ILE 33 4.087 -5.630 0.018 256 HG23 ILE 33 3HG2 ILE 33 3.051 -6.687 -0.941 257 HD11 ILE 33 3HD1 ILE 33 4.829 -2.218 -2.422 258 HD12 ILE 33 1HD1 ILE 33 3.558 -3.113 -1.587 259 HD13 ILE 33 2HD1 ILE 33 3.765 -3.292 -3.331 260 H GLY 34 H GLY 34 7.651 -5.388 -2.602 261 HA2 GLY 34 2HA GLY 34 7.853 -6.343 -5.345 262 HA3 GLY 34 3HA GLY 34 8.873 -5.133 -4.577 263 H CYS 35 H CYS 35 8.103 -8.531 -3.937 264 HA CYS 35 HA CYS 35 10.690 -9.564 -4.433 265 HB2 CYS 35 2HB CYS 35 11.247 -8.256 -2.402 266 HB3 CYS 35 3HB CYS 35 10.012 -9.134 -1.506 267 HG CYS 35 HG CYS 35 11.910 -10.607 -0.553 268 H MET 36 H MET 36 7.788 -9.907 -2.390 269 HA MET 36 HA MET 36 7.800 -12.807 -2.682 270 HB2 MET 36 2HB MET 36 5.885 -12.803 -1.208 271 HB3 MET 36 3HB MET 36 7.120 -11.738 -0.549 272 HG2 MET 36 2HG MET 36 5.918 -9.792 -1.307 273 HG3 MET 36 3HG MET 36 4.727 -10.803 -2.127 274 HE1 MET 36 3HE MET 36 4.342 -13.151 0.011 275 HE2 MET 36 1HE MET 36 2.996 -12.388 -0.834 276 HE3 MET 36 2HE MET 36 2.962 -12.551 0.924 277 H GLY 37 H GLY 37 6.885 -10.401 -4.724 278 HA2 GLY 37 2HA GLY 37 5.620 -10.419 -6.653 279 HA3 GLY 37 3HA GLY 37 5.262 -12.109 -6.339 280 H ALA 38 H ALA 38 4.505 -9.274 -4.321 281 HA ALA 38 HA ALA 38 1.664 -10.074 -4.400 282 HB1 ALA 38 3HB ALA 38 2.701 -10.035 -2.187 283 HB2 ALA 38 1HB ALA 38 1.426 -8.822 -2.309 284 HB3 ALA 38 2HB ALA 38 3.118 -8.335 -2.400 285 H GLN 39 H GLN 39 3.222 -8.277 -6.355 286 HA GLN 39 HA GLN 39 2.458 -5.596 -6.028 287 HB2 GLN 39 2HB GLN 39 3.033 -7.134 -8.572 288 HB3 GLN 39 3HB GLN 39 2.920 -5.382 -8.468 289 HG2 GLN 39 2HG GLN 39 4.921 -7.068 -6.973 290 HG3 GLN 39 3HG GLN 39 5.242 -6.220 -8.482 291 HE21 GLN 39 1HE2 GLN 39 4.722 -5.877 -5.064 292 HE22 GLN 39 2HE2 GLN 39 5.211 -4.226 -4.958 293 H ASN 40 H ASN 40 0.727 -8.285 -7.539 294 HA ASN 40 HA ASN 40 -1.383 -6.483 -8.490 295 HB2 ASN 40 2HB ASN 40 -1.068 -9.461 -8.937 296 HB3 ASN 40 3HB ASN 40 -2.196 -8.390 -9.764 297 HD21 ASN 40 1HD2 ASN 40 1.090 -9.427 -9.496 298 HD22 ASN 40 2HD2 ASN 40 1.662 -8.641 -10.924 299 H GLU 41 H GLU 41 -0.910 -7.388 -5.588 300 HA GLU 41 HA GLU 41 -3.566 -8.560 -5.067 301 HB2 GLU 41 2HB GLU 41 -1.692 -9.812 -4.124 302 HB3 GLU 41 3HB GLU 41 -1.122 -8.377 -3.284 303 HG2 GLU 41 2HG GLU 41 -2.925 -8.408 -1.776 304 HG3 GLU 41 3HG GLU 41 -3.845 -9.537 -2.770 305 H SER 42 H SER 42 -5.002 -7.577 -3.610 306 HA SER 42 HA SER 42 -5.084 -4.757 -3.639 307 HB2 SER 42 2HB SER 42 -6.622 -6.601 -1.785 308 HB3 SER 42 3HB SER 42 -7.057 -4.949 -2.222 309 HG SER 42 HG SER 42 -7.432 -5.633 -4.332 310 H LEU 43 H LEU 43 -4.899 -3.220 -1.965 311 HA LEU 43 HA LEU 43 -2.687 -3.407 -0.313 312 HB2 LEU 43 2HB LEU 43 -5.108 -1.622 -0.011 313 HB3 LEU 43 3HB LEU 43 -3.604 -1.403 0.866 314 HG LEU 43 HG LEU 43 -3.969 -1.182 -2.131 315 HD11 LEU 43 1HD1 LEU 43 -3.298 0.919 -0.068 316 HD12 LEU 43 2HD1 LEU 43 -4.866 0.714 -0.848 317 HD13 LEU 43 3HD1 LEU 43 -3.459 1.168 -1.808 318 HD21 LEU 43 3HD2 LEU 43 -1.620 -0.471 -2.170 319 HD22 LEU 43 1HD2 LEU 43 -1.789 -2.131 -1.603 320 HD23 LEU 43 2HD2 LEU 43 -1.485 -0.833 -0.449 321 H GLU 44 H GLU 44 -6.120 -3.830 0.671 322 HA GLU 44 HA GLU 44 -5.516 -4.265 3.402 323 HB2 GLU 44 2HB GLU 44 -7.765 -3.618 2.673 324 HB3 GLU 44 3HB GLU 44 -7.961 -5.165 1.858 325 HG2 GLU 44 2HG GLU 44 -8.049 -6.353 3.886 326 HG3 GLU 44 3HG GLU 44 -7.389 -5.003 4.803 327 H GLN 45 H GLN 45 -5.844 -6.531 0.700 328 HA GLN 45 HA GLN 45 -5.755 -8.912 2.191 329 HB2 GLN 45 2HB GLN 45 -4.869 -8.305 -0.633 330 HB3 GLN 45 3HB GLN 45 -4.815 -9.925 0.050 331 HG2 GLN 45 2HG GLN 45 -7.270 -9.756 0.475 332 HG3 GLN 45 3HG GLN 45 -7.261 -8.218 -0.387 333 HE21 GLN 45 1HE2 GLN 45 -7.068 -8.225 -2.627 334 HE22 GLN 45 2HE2 GLN 45 -7.175 -9.665 -3.567 335 H GLY 46 H GLY 46 -3.073 -7.070 0.698 336 HA2 GLY 46 2HA GLY 46 -0.987 -8.699 1.712 337 HA3 GLY 46 3HA GLY 46 -0.823 -7.036 1.172 338 H ALA 47 H ALA 47 -2.548 -5.796 3.043 339 HA ALA 47 HA ALA 47 -0.890 -5.395 5.262 340 HB1 ALA 47 3HB ALA 47 -2.561 -3.765 4.533 341 HB2 ALA 47 1HB ALA 47 -2.760 -4.158 6.240 342 HB3 ALA 47 2HB ALA 47 -3.854 -4.851 5.042 343 H ASN 48 H ASN 48 -3.995 -7.175 5.143 344 HA ASN 48 HA ASN 48 -3.942 -8.217 7.730 345 HB2 ASN 48 2HB ASN 48 -5.225 -9.193 5.184 346 HB3 ASN 48 3HB ASN 48 -5.387 -10.095 6.690 347 HD21 ASN 48 1HD2 ASN 48 -7.399 -8.675 5.076 348 HD22 ASN 48 2HD2 ASN 48 -8.145 -7.562 6.162 349 H ALA 49 H ALA 49 -2.348 -9.411 4.811 350 HA ALA 49 HA ALA 49 -1.499 -11.912 5.747 351 HB1 ALA 49 3HB ALA 49 -1.270 -11.181 3.410 352 HB2 ALA 49 1HB ALA 49 0.253 -11.789 4.059 353 HB3 ALA 49 2HB ALA 49 -0.005 -10.051 3.893 354 H HIS 50 H HIS 50 -0.073 -8.696 6.213 355 HA HIS 50 HA HIS 50 2.057 -9.783 7.896 356 HB2 HIS 50 2HB HIS 50 1.406 -6.948 7.049 357 HB3 HIS 50 3HB HIS 50 2.737 -7.363 8.122 358 HD1 HIS 50 HD1 HIS 50 4.899 -7.451 6.910 359 HD2 HIS 50 HD2 HIS 50 1.726 -8.604 4.478 360 HE1 HIS 50 HE1 HIS 50 5.912 -7.950 4.673 361 HE2 HIS 50 HE2 HIS 50 3.970 -8.544 3.195 362 H GLY 51 H GLY 51 -1.133 -8.852 8.316 363 HA2 GLY 51 2HA GLY 51 -2.376 -8.890 10.279 364 HA3 GLY 51 3HA GLY 51 -0.884 -8.928 11.203 365 H LEU 52 H LEU 52 -1.130 -6.454 8.825 366 HA LEU 52 HA LEU 52 -1.362 -4.457 10.978 367 HB2 LEU 52 2HB LEU 52 -0.288 -4.149 8.169 368 HB3 LEU 52 3HB LEU 52 -0.278 -2.911 9.412 369 HG LEU 52 HG LEU 52 1.250 -5.522 9.531 370 HD11 LEU 52 1HD1 LEU 52 3.237 -4.133 9.264 371 HD12 LEU 52 2HD1 LEU 52 2.225 -2.698 9.092 372 HD13 LEU 52 3HD1 LEU 52 2.162 -3.975 7.874 373 HD21 LEU 52 3HD2 LEU 52 2.317 -4.552 11.519 374 HD22 LEU 52 1HD2 LEU 52 0.583 -4.772 11.750 375 HD23 LEU 52 2HD2 LEU 52 1.231 -3.165 11.422 376 H ASN 53 H ASN 53 -2.568 -2.475 10.575 377 HA ASN 53 HA ASN 53 -5.077 -3.020 9.207 378 HB2 ASN 53 2HB ASN 53 -5.187 -2.060 11.435 379 HB3 ASN 53 3HB ASN 53 -4.195 -0.695 10.934 380 HD21 ASN 53 1HD2 ASN 53 -7.337 -2.195 10.646 381 HD22 ASN 53 2HD2 ASN 53 -8.154 -0.786 10.067 382 H VAL 54 H VAL 54 -5.354 -2.526 7.140 383 HA VAL 54 HA VAL 54 -3.588 -0.912 5.622 384 HB VAL 54 HB VAL 54 -4.917 -2.759 4.648 385 HG11 VAL 54 1HG1 VAL 54 -7.012 -2.403 5.842 386 HG12 VAL 54 2HG1 VAL 54 -7.288 -2.421 4.103 387 HG13 VAL 54 3HG1 VAL 54 -7.272 -0.890 4.976 388 HG21 VAL 54 3HG2 VAL 54 -5.409 -0.068 3.353 389 HG22 VAL 54 1HG2 VAL 54 -5.520 -1.633 2.545 390 HG23 VAL 54 2HG2 VAL 54 -3.969 -1.069 3.167 391 H GLU 55 H GLU 55 -6.511 -0.181 7.356 392 HA GLU 55 HA GLU 55 -7.313 2.112 5.903 393 HB2 GLU 55 2HB GLU 55 -7.933 1.423 8.786 394 HB3 GLU 55 3HB GLU 55 -8.856 2.499 7.741 395 HG2 GLU 55 2HG GLU 55 -9.361 0.595 6.258 396 HG3 GLU 55 3HG GLU 55 -8.481 -0.470 7.350 397 H ASP 56 H ASP 56 -5.180 1.689 8.696 398 HA ASP 56 HA ASP 56 -4.723 4.478 9.118 399 HB2 ASP 56 2HB ASP 56 -4.250 2.764 10.848 400 HB3 ASP 56 3HB ASP 56 -2.948 2.131 9.844 401 H ILE 57 H ILE 57 -3.217 1.996 7.117 402 HA ILE 57 HA ILE 57 -1.026 3.509 6.164 403 HB ILE 57 HB ILE 57 -2.537 1.347 4.672 404 HG12 ILE 57 2HG1 ILE 57 -0.166 1.081 6.548 405 HG13 ILE 57 3HG1 ILE 57 -1.819 0.612 6.931 406 HG21 ILE 57 1HG2 ILE 57 -0.408 0.988 3.496 407 HG22 ILE 57 2HG2 ILE 57 0.309 2.332 4.384 408 HG23 ILE 57 3HG2 ILE 57 -1.011 2.627 3.250 409 HD11 ILE 57 3HD1 ILE 57 -1.749 -1.065 5.156 410 HD12 ILE 57 1HD1 ILE 57 -0.471 -1.311 6.346 411 HD13 ILE 57 2HD1 ILE 57 -0.091 -0.593 4.780 412 H LEU 58 H LEU 58 -4.348 3.115 4.952 413 HA LEU 58 HA LEU 58 -4.194 4.657 2.633 414 HB2 LEU 58 2HB LEU 58 -6.522 4.365 4.542 415 HB3 LEU 58 3HB LEU 58 -6.635 5.030 2.922 416 HG LEU 58 HG LEU 58 -5.886 2.182 3.625 417 HD11 LEU 58 1HD1 LEU 58 -8.365 3.294 2.301 418 HD12 LEU 58 2HD1 LEU 58 -8.264 2.697 3.957 419 HD13 LEU 58 3HD1 LEU 58 -8.017 1.592 2.605 420 HD21 LEU 58 3HD2 LEU 58 -5.954 1.779 1.199 421 HD22 LEU 58 1HD2 LEU 58 -4.690 2.929 1.635 422 HD23 LEU 58 2HD2 LEU 58 -6.198 3.505 0.925 423 H ARG 59 H ARG 59 -4.641 5.663 5.989 424 HA ARG 59 HA ARG 59 -5.107 8.378 5.714 425 HB2 ARG 59 2HB ARG 59 -5.090 7.415 7.899 426 HB3 ARG 59 3HB ARG 59 -3.436 6.854 7.717 427 HG2 ARG 59 2HG ARG 59 -2.664 9.202 7.721 428 HG3 ARG 59 3HG ARG 59 -4.331 9.722 7.989 429 HD2 ARG 59 2HD ARG 59 -2.972 9.629 10.072 430 HD3 ARG 59 3HD ARG 59 -4.399 8.597 10.117 431 HE ARG 59 HE ARG 59 -3.030 6.717 10.102 432 HH11 ARG 59 1HH1 ARG 59 -1.130 9.578 9.779 433 HH12 ARG 59 2HH1 ARG 59 0.355 8.747 10.064 434 HH21 ARG 59 1HH2 ARG 59 -1.119 5.680 10.511 435 HH22 ARG 59 2HH2 ARG 59 0.364 6.574 10.500 436 H ASP 60 H ASP 60 -1.893 6.800 5.864 437 HA ASP 60 HA ASP 60 -0.416 9.165 5.342 438 HB2 ASP 60 2HB ASP 60 0.347 6.873 6.342 439 HB3 ASP 60 3HB ASP 60 0.597 6.408 4.663 440 H LEU 61 H LEU 61 -1.467 6.493 3.231 441 HA LEU 61 HA LEU 61 -0.204 7.208 0.870 442 HB2 LEU 61 2HB LEU 61 -2.906 5.911 1.225 443 HB3 LEU 61 3HB LEU 61 -2.023 5.970 -0.291 444 HG LEU 61 HG LEU 61 -1.129 4.548 2.225 445 HD11 LEU 61 1HD1 LEU 61 -2.976 3.426 1.073 446 HD12 LEU 61 2HD1 LEU 61 -1.476 2.508 0.939 447 HD13 LEU 61 3HD1 LEU 61 -2.055 3.454 -0.433 448 HD21 LEU 61 3HD2 LEU 61 0.772 5.456 0.986 449 HD22 LEU 61 1HD2 LEU 61 0.181 4.697 -0.492 450 HD23 LEU 61 2HD2 LEU 61 0.715 3.697 0.860 451 H ASN 62 H ASN 62 -3.490 8.210 1.897 452 HA ASN 62 HA ASN 62 -3.833 9.928 -0.378 453 HB2 ASN 62 2HB ASN 62 -5.388 9.643 2.201 454 HB3 ASN 62 3HB ASN 62 -5.831 10.790 0.938 455 HD21 ASN 62 1HD2 ASN 62 -5.620 7.430 1.798 456 HD22 ASN 62 2HD2 ASN 62 -6.568 6.835 0.487 457 H ALA 63 H ALA 63 -2.587 10.350 2.876 458 HA ALA 63 HA ALA 63 -2.561 13.165 2.981 459 HB1 ALA 63 3HB ALA 63 -0.604 11.248 4.250 460 HB2 ALA 63 1HB ALA 63 -2.150 11.742 4.938 461 HB3 ALA 63 2HB ALA 63 -0.865 12.930 4.714 462 H LEU 64 H LEU 64 -0.454 10.886 1.363 463 HA LEU 64 HA LEU 64 1.777 12.441 0.791 464 HB2 LEU 64 2HB LEU 64 0.394 10.440 -1.003 465 HB3 LEU 64 3HB LEU 64 2.026 11.039 -1.235 466 HG LEU 64 HG LEU 64 1.098 9.425 1.149 467 HD11 LEU 64 1HD1 LEU 64 2.423 7.608 0.179 468 HD12 LEU 64 2HD1 LEU 64 2.747 8.602 -1.242 469 HD13 LEU 64 3HD1 LEU 64 1.099 8.085 -0.884 470 HD21 LEU 64 3HD2 LEU 64 2.926 10.917 1.725 471 HD22 LEU 64 1HD2 LEU 64 3.853 10.359 0.331 472 HD23 LEU 64 2HD2 LEU 64 3.500 9.252 1.658 473 H ALA 65 H ALA 65 -1.380 12.432 -0.789 474 HA ALA 65 HA ALA 65 -0.502 14.378 -2.789 475 HB1 ALA 65 3HB ALA 65 -3.189 13.046 -2.416 476 HB2 ALA 65 1HB ALA 65 -1.910 12.507 -3.505 477 HB3 ALA 65 2HB ALA 65 -2.710 14.053 -3.783 478 H LEU 66 H LEU 66 -2.764 14.165 -0.056 479 HA LEU 66 HA LEU 66 -3.862 16.771 -0.381 480 HB2 LEU 66 2HB LEU 66 -3.765 15.000 2.065 481 HB3 LEU 66 3HB LEU 66 -4.764 16.432 1.896 482 HG LEU 66 HG LEU 66 -5.011 13.912 0.239 483 HD11 LEU 66 1HD1 LEU 66 -6.774 15.001 2.434 484 HD12 LEU 66 2HD1 LEU 66 -5.741 13.576 2.538 485 HD13 LEU 66 3HD1 LEU 66 -7.119 13.585 1.439 486 HD21 LEU 66 3HD2 LEU 66 -7.052 14.928 -0.648 487 HD22 LEU 66 1HD2 LEU 66 -5.636 15.907 -1.030 488 HD23 LEU 66 2HD2 LEU 66 -6.725 16.401 0.267 489 H GLU 67 H GLU 67 -1.449 15.506 1.920 490 HA GLU 67 HA GLU 67 0.017 16.491 3.331 491 HB2 GLU 67 2HB GLU 67 0.161 18.494 1.068 492 HB3 GLU 67 3HB GLU 67 1.305 18.417 2.402 493 HG2 GLU 67 2HG GLU 67 1.735 16.008 1.697 494 HG3 GLU 67 3HG GLU 67 0.852 16.396 0.222 495 H HIS 68 H HIS 68 -2.824 17.277 3.649 496 HA HIS 68 HA HIS 68 -2.789 19.982 4.648 497 HB2 HIS 68 2HB HIS 68 -4.794 17.733 4.816 498 HB3 HIS 68 3HB HIS 68 -5.018 19.228 5.715 499 HD1 HIS 68 HD1 HIS 68 -6.290 20.976 4.535 500 HD2 HIS 68 HD2 HIS 68 -4.532 18.306 1.879 501 HE1 HIS 68 HE1 HIS 68 -7.097 21.657 2.264 502 HE2 HIS 68 HE2 HIS 68 -6.135 19.954 0.692 503 H HIS 69 H HIS 69 -2.591 20.673 6.759 504 HA HIS 69 HA HIS 69 -1.131 18.990 8.559 505 HB2 HIS 69 2HB HIS 69 -0.774 21.445 8.364 506 HB3 HIS 69 3HB HIS 69 -2.368 21.713 9.058 507 HD1 HIS 69 HD1 HIS 69 1.136 21.103 9.958 508 HD2 HIS 69 HD2 HIS 69 -2.556 20.961 11.854 509 HE1 HIS 69 HE1 HIS 69 1.646 21.037 12.409 510 HE2 HIS 69 HE2 HIS 69 -0.594 20.857 13.536 511 H HIS 70 H HIS 70 -2.098 17.413 9.718 512 HA HIS 70 HA HIS 70 -4.858 17.294 10.316 513 HB2 HIS 70 2HB HIS 70 -3.257 15.336 10.210 514 HB3 HIS 70 3HB HIS 70 -2.647 15.832 11.785 515 HD1 HIS 70 HD1 HIS 70 -3.440 13.872 13.150 516 HD2 HIS 70 HD2 HIS 70 -6.490 15.571 10.896 517 HE1 HIS 70 HE1 HIS 70 -5.546 12.740 13.907 518 HE2 HIS 70 HE2 HIS 70 -7.332 13.623 12.377 519 H HIS 71 H HIS 71 -5.463 19.240 11.285 520 HA HIS 71 HA HIS 71 -4.103 20.465 13.449 521 HB2 HIS 71 2HB HIS 71 -5.508 21.713 11.878 522 HB3 HIS 71 3HB HIS 71 -6.936 20.852 12.443 523 HD1 HIS 71 HD1 HIS 71 -7.694 21.391 14.945 524 HD2 HIS 71 HD2 HIS 71 -4.827 23.934 13.344 525 HE1 HIS 71 HE1 HIS 71 -7.696 23.414 16.422 526 HE2 HIS 71 HE2 HIS 71 -5.839 24.859 15.536 527 H HIS 72 H HIS 72 -4.094 19.927 15.553 528 HA HIS 72 HA HIS 72 -6.096 18.056 16.577 529 HB2 HIS 72 2HB HIS 72 -3.638 19.181 17.940 530 HB3 HIS 72 3HB HIS 72 -4.656 17.881 18.552 531 HD1 HIS 72 HD1 HIS 72 -4.892 16.045 16.181 532 HD2 HIS 72 HD2 HIS 72 -1.345 17.964 17.180 533 HE1 HIS 72 HE1 HIS 72 -3.074 14.679 15.136 534 HE2 HIS 72 HE2 HIS 72 -0.951 15.925 15.643 535 H HIS 73 H HIS 73 -7.425 18.450 18.358 536 HA HIS 73 HA HIS 73 -8.011 21.266 18.902 537 HB2 HIS 73 2HB HIS 73 -9.852 19.704 18.299 538 HB3 HIS 73 3HB HIS 73 -9.514 18.771 19.753 539 HD1 HIS 73 HD1 HIS 73 -10.531 19.597 21.919 540 HD2 HIS 73 HD2 HIS 73 -11.008 22.283 18.791 541 HE1 HIS 73 HE1 HIS 73 -12.137 21.325 22.760 542 HE2 HIS 73 HE2 HIS 73 -12.547 22.835 20.793 Start of MODEL 17 1 H1 MET 1 1H MET 1 -16.232 13.228 -1.343 2 H2 MET 1 2H MET 1 -15.121 12.164 -2.046 3 H3 MET 1 3H MET 1 -15.034 12.513 -0.393 4 HA MET 1 HA MET 1 -17.138 11.453 0.008 5 HB2 MET 1 2HB MET 1 -18.138 11.943 -2.191 6 HB3 MET 1 3HB MET 1 -17.057 10.781 -2.946 7 HG2 MET 1 2HG MET 1 -18.087 8.977 -1.659 8 HG3 MET 1 3HG MET 1 -19.163 10.142 -0.887 9 HE1 MET 1 3HE MET 1 -21.594 8.173 -3.242 10 HE2 MET 1 1HE MET 1 -21.317 8.749 -1.599 11 HE3 MET 1 2HE MET 1 -20.242 7.540 -2.300 12 H THR 2 H THR 2 -14.830 10.128 -2.401 13 HA THR 2 HA THR 2 -14.206 7.979 -0.465 14 HB THR 2 HB THR 2 -15.509 6.910 -2.190 15 HG1 THR 2 HG1 THR 2 -12.776 6.345 -2.798 16 HG21 THR 2 3HG2 THR 2 -15.246 8.574 -3.974 17 HG22 THR 2 1HG2 THR 2 -14.860 6.953 -4.556 18 HG23 THR 2 2HG2 THR 2 -13.561 8.090 -4.183 19 H GLN 3 H GLN 3 -12.084 7.328 -0.323 20 HA GLN 3 HA GLN 3 -10.059 9.175 -1.124 21 HB2 GLN 3 2HB GLN 3 -9.746 6.350 -0.069 22 HB3 GLN 3 3HB GLN 3 -8.501 7.591 -0.097 23 HG2 GLN 3 2HG GLN 3 -9.781 8.931 1.488 24 HG3 GLN 3 3HG GLN 3 -11.058 7.717 1.497 25 HE21 GLN 3 1HE2 GLN 3 -9.101 5.502 1.413 26 HE22 GLN 3 2HE2 GLN 3 -8.448 5.410 3.004 27 H LYS 4 H LYS 4 -8.389 8.909 -2.681 28 HA LYS 4 HA LYS 4 -8.989 7.237 -4.944 29 HB2 LYS 4 2HB LYS 4 -6.530 8.895 -4.324 30 HB3 LYS 4 3HB LYS 4 -6.810 8.062 -5.848 31 HG2 LYS 4 2HG LYS 4 -8.909 9.425 -6.099 32 HG3 LYS 4 3HG LYS 4 -8.388 10.356 -4.695 33 HD2 LYS 4 2HD LYS 4 -7.751 11.510 -6.738 34 HD3 LYS 4 3HD LYS 4 -6.307 10.954 -5.890 35 HE2 LYS 4 2HE LYS 4 -6.149 9.032 -7.405 36 HE3 LYS 4 3HE LYS 4 -7.610 9.565 -8.239 37 HZ1 LYS 4 3HZ LYS 4 -5.624 10.214 -9.440 38 HZ2 LYS 4 1HZ LYS 4 -5.053 11.072 -8.099 39 HZ3 LYS 4 2HZ LYS 4 -6.450 11.582 -8.894 40 H PHE 5 H PHE 5 -6.535 7.214 -2.380 41 HA PHE 5 HA PHE 5 -5.609 4.567 -3.140 42 HB2 PHE 5 2HB PHE 5 -4.947 6.270 -0.719 43 HB3 PHE 5 3HB PHE 5 -4.160 4.752 -1.134 44 HD1 PHE 5 HD2 PHE 5 -4.504 8.295 -1.973 45 HD2 PHE 5 HD1 PHE 5 -2.568 4.632 -2.965 46 HE1 PHE 5 HE2 PHE 5 -2.864 9.528 -3.332 47 HE2 PHE 5 HE1 PHE 5 -0.930 5.861 -4.324 48 HZ PHE 5 HZ PHE 5 -1.077 8.309 -4.509 49 H THR 6 H THR 6 -7.159 3.049 -2.838 50 HA THR 6 HA THR 6 -8.534 2.971 -0.213 51 HB THR 6 HB THR 6 -10.121 3.516 -1.991 52 HG1 THR 6 HG1 THR 6 -11.542 2.252 -1.064 53 HG21 THR 6 3HG2 THR 6 -10.615 1.907 -3.788 54 HG22 THR 6 1HG2 THR 6 -9.271 0.899 -3.248 55 HG23 THR 6 2HG2 THR 6 -8.962 2.511 -3.896 56 H LYS 7 H LYS 7 -9.483 0.705 0.210 57 HA LYS 7 HA LYS 7 -7.272 -1.081 0.469 58 HB2 LYS 7 2HB LYS 7 -8.939 -2.605 1.523 59 HB3 LYS 7 3HB LYS 7 -8.943 -0.986 2.208 60 HG2 LYS 7 2HG LYS 7 -10.969 -0.418 1.131 61 HG3 LYS 7 3HG LYS 7 -10.880 -1.822 0.066 62 HD2 LYS 7 2HD LYS 7 -12.541 -2.162 1.822 63 HD3 LYS 7 3HD LYS 7 -11.211 -3.308 1.981 64 HE2 LYS 7 2HE LYS 7 -10.220 -1.824 3.726 65 HE3 LYS 7 3HE LYS 7 -11.660 -0.810 3.621 66 HZ1 LYS 7 3HZ LYS 7 -11.786 -2.404 5.447 67 HZ2 LYS 7 1HZ LYS 7 -11.638 -3.689 4.358 68 HZ3 LYS 7 2HZ LYS 7 -13.001 -2.686 4.304 69 H ASP 8 H ASP 8 -9.589 -0.659 -1.994 70 HA ASP 8 HA ASP 8 -9.681 -3.405 -2.888 71 HB2 ASP 8 2HB ASP 8 -11.616 -1.892 -3.111 72 HB3 ASP 8 3HB ASP 8 -10.688 -0.870 -4.202 73 H MET 9 H MET 9 -7.919 -0.482 -3.797 74 HA MET 9 HA MET 9 -7.082 -1.419 -6.360 75 HB2 MET 9 2HB MET 9 -5.635 0.524 -6.419 76 HB3 MET 9 3HB MET 9 -7.204 0.986 -5.776 77 HG2 MET 9 2HG MET 9 -6.218 0.784 -3.482 78 HG3 MET 9 3HG MET 9 -4.648 0.567 -4.247 79 HE1 MET 9 3HE MET 9 -3.598 2.421 -5.927 80 HE2 MET 9 1HE MET 9 -4.317 4.015 -6.178 81 HE3 MET 9 2HE MET 9 -5.120 2.575 -6.807 82 H THR 10 H THR 10 -4.911 -1.936 -7.023 83 HA THR 10 HA THR 10 -3.653 -3.807 -5.195 84 HB THR 10 HB THR 10 -2.324 -4.544 -7.070 85 HG1 THR 10 HG1 THR 10 -2.641 -3.361 -9.139 86 HG21 THR 10 3HG2 THR 10 -5.136 -3.914 -7.997 87 HG22 THR 10 1HG2 THR 10 -4.651 -5.319 -7.047 88 HG23 THR 10 2HG2 THR 10 -4.070 -5.129 -8.701 89 H PHE 11 H PHE 11 -1.331 -3.874 -4.822 90 HA PHE 11 HA PHE 11 -0.152 -1.488 -3.975 91 HB2 PHE 11 2HB PHE 11 1.093 -4.143 -4.714 92 HB3 PHE 11 3HB PHE 11 2.024 -2.813 -4.040 93 HD1 PHE 11 HD1 PHE 11 1.641 -2.068 -1.731 94 HD2 PHE 11 HD2 PHE 11 -0.375 -5.460 -3.335 95 HE1 PHE 11 HE1 PHE 11 1.057 -2.796 0.545 96 HE2 PHE 11 HE2 PHE 11 -0.960 -6.190 -1.061 97 HZ PHE 11 HZ PHE 11 -0.242 -4.859 0.883 98 H ALA 12 H ALA 12 0.120 -3.162 -7.095 99 HA ALA 12 HA ALA 12 2.120 -1.584 -8.263 100 HB1 ALA 12 3HB ALA 12 1.292 -3.683 -9.238 101 HB2 ALA 12 1HB ALA 12 1.278 -2.362 -10.409 102 HB3 ALA 12 2HB ALA 12 -0.226 -2.886 -9.649 103 H GLN 13 H GLN 13 -1.440 -1.184 -8.441 104 HA GLN 13 HA GLN 13 -1.501 1.176 -9.941 105 HB2 GLN 13 2HB GLN 13 -3.388 0.321 -7.728 106 HB3 GLN 13 3HB GLN 13 -3.722 1.580 -8.909 107 HG2 GLN 13 2HG GLN 13 -3.677 -0.052 -10.705 108 HG3 GLN 13 3HG GLN 13 -3.237 -1.320 -9.563 109 HE21 GLN 13 1HE2 GLN 13 -5.590 1.211 -8.897 110 HE22 GLN 13 2HE2 GLN 13 -6.961 0.160 -8.838 111 H ALA 14 H ALA 14 -1.377 0.782 -6.400 112 HA ALA 14 HA ALA 14 -1.440 3.474 -5.664 113 HB1 ALA 14 3HB ALA 14 -1.682 1.626 -4.079 114 HB2 ALA 14 1HB ALA 14 -0.437 2.760 -3.557 115 HB3 ALA 14 2HB ALA 14 0.023 1.221 -4.282 116 H LEU 15 H LEU 15 1.424 1.416 -6.255 117 HA LEU 15 HA LEU 15 3.384 3.377 -5.829 118 HB2 LEU 15 2HB LEU 15 3.455 0.971 -7.659 119 HB3 LEU 15 3HB LEU 15 4.860 1.928 -7.227 120 HG LEU 15 HG LEU 15 3.176 0.284 -5.324 121 HD11 LEU 15 1HD1 LEU 15 5.184 -1.100 -5.106 122 HD12 LEU 15 2HD1 LEU 15 5.992 -0.126 -6.336 123 HD13 LEU 15 3HD1 LEU 15 4.577 -1.092 -6.762 124 HD21 LEU 15 3HD2 LEU 15 4.858 0.853 -3.636 125 HD22 LEU 15 1HD2 LEU 15 4.021 2.289 -4.226 126 HD23 LEU 15 2HD2 LEU 15 5.653 1.926 -4.788 127 H GLN 16 H GLN 16 1.678 2.481 -8.823 128 HA GLN 16 HA GLN 16 3.110 4.286 -10.496 129 HB2 GLN 16 2HB GLN 16 0.377 3.041 -10.864 130 HB3 GLN 16 3HB GLN 16 1.257 3.913 -12.112 131 HG2 GLN 16 2HG GLN 16 2.072 1.324 -10.800 132 HG3 GLN 16 3HG GLN 16 1.495 1.545 -12.450 133 HE21 GLN 16 1HE2 GLN 16 4.175 1.892 -10.290 134 HE22 GLN 16 2HE2 GLN 16 5.365 2.219 -11.492 135 H THR 17 H THR 17 0.328 4.664 -8.416 136 HA THR 17 HA THR 17 -0.566 7.154 -9.535 137 HB THR 17 HB THR 17 -1.169 5.940 -6.821 138 HG1 THR 17 HG1 THR 17 -1.882 4.718 -8.694 139 HG21 THR 17 3HG2 THR 17 -1.612 8.347 -6.828 140 HG22 THR 17 1HG2 THR 17 -3.125 7.443 -6.813 141 HG23 THR 17 2HG2 THR 17 -2.553 8.182 -8.310 142 H HIS 18 H HIS 18 1.481 6.269 -6.769 143 HA HIS 18 HA HIS 18 2.743 8.888 -6.870 144 HB2 HIS 18 2HB HIS 18 1.055 7.998 -4.564 145 HB3 HIS 18 3HB HIS 18 2.517 8.915 -4.220 146 HD1 HIS 18 HD1 HIS 18 -0.853 9.244 -5.845 147 HD2 HIS 18 HD2 HIS 18 2.383 11.627 -4.814 148 HE1 HIS 18 HE1 HIS 18 -1.644 11.604 -6.131 149 HE2 HIS 18 HE2 HIS 18 0.399 13.009 -5.721 150 HA PRO 19 HA PRO 19 6.247 6.082 -6.247 151 HB2 PRO 19 2HB PRO 19 7.563 8.747 -5.908 152 HB3 PRO 19 3HB PRO 19 8.056 7.366 -6.895 153 HG2 PRO 19 2HG PRO 19 6.954 9.497 -8.040 154 HG3 PRO 19 3HG PRO 19 6.529 7.861 -8.586 155 HD2 PRO 19 2HD PRO 19 4.970 9.753 -6.862 156 HD3 PRO 19 3HD PRO 19 4.396 8.642 -8.126 157 H GLY 20 H GLY 20 5.256 8.747 -4.160 158 HA2 GLY 20 2HA GLY 20 6.888 8.228 -1.929 159 HA3 GLY 20 3HA GLY 20 5.320 9.016 -1.881 160 H VAL 21 H VAL 21 4.021 6.577 -3.059 161 HA VAL 21 HA VAL 21 3.150 5.319 -0.733 162 HB VAL 21 HB VAL 21 3.163 4.242 -3.565 163 HG11 VAL 21 1HG1 VAL 21 2.898 2.402 -1.986 164 HG12 VAL 21 2HG1 VAL 21 1.382 2.715 -2.831 165 HG13 VAL 21 3HG1 VAL 21 1.595 3.268 -1.170 166 HG21 VAL 21 3HG2 VAL 21 0.817 4.997 -3.597 167 HG22 VAL 21 1HG2 VAL 21 1.939 6.333 -3.339 168 HG23 VAL 21 2HG2 VAL 21 1.023 5.677 -1.981 169 H ALA 22 H ALA 22 5.791 4.416 -2.922 170 HA ALA 22 HA ALA 22 6.479 1.931 -1.874 171 HB1 ALA 22 3HB ALA 22 8.728 2.349 -2.747 172 HB2 ALA 22 1HB ALA 22 8.348 4.064 -2.921 173 HB3 ALA 22 2HB ALA 22 7.493 2.866 -3.893 174 H GLY 23 H GLY 23 7.593 5.152 -0.834 175 HA2 GLY 23 2HA GLY 23 9.245 4.313 1.285 176 HA3 GLY 23 3HA GLY 23 8.494 5.893 1.144 177 H VAL 24 H VAL 24 5.803 5.191 1.263 178 HA VAL 24 HA VAL 24 5.317 4.921 4.016 179 HB VAL 24 HB VAL 24 3.369 4.360 1.762 180 HG11 VAL 24 1HG1 VAL 24 2.563 3.547 3.919 181 HG12 VAL 24 2HG1 VAL 24 1.637 4.956 3.403 182 HG13 VAL 24 3HG1 VAL 24 2.877 5.122 4.647 183 HG21 VAL 24 3HG2 VAL 24 3.993 6.951 3.187 184 HG22 VAL 24 1HG2 VAL 24 2.702 6.712 2.006 185 HG23 VAL 24 2HG2 VAL 24 4.389 6.559 1.513 186 H LEU 25 H LEU 25 4.947 2.533 1.390 187 HA LEU 25 HA LEU 25 4.115 0.361 2.947 188 HB2 LEU 25 2HB LEU 25 5.770 0.339 0.414 189 HB3 LEU 25 3HB LEU 25 4.947 -1.054 1.091 190 HG LEU 25 HG LEU 25 3.605 1.444 0.034 191 HD11 LEU 25 1HD1 LEU 25 2.804 0.015 -1.769 192 HD12 LEU 25 2HD1 LEU 25 3.718 -1.344 -1.114 193 HD13 LEU 25 3HD1 LEU 25 4.567 0.070 -1.739 194 HD21 LEU 25 3HD2 LEU 25 2.385 -1.118 1.071 195 HD22 LEU 25 1HD2 LEU 25 1.509 0.233 0.351 196 HD23 LEU 25 2HD2 LEU 25 2.350 0.445 1.884 197 H ARG 26 H ARG 26 7.408 1.375 2.047 198 HA ARG 26 HA ARG 26 8.807 -0.646 3.416 199 HB2 ARG 26 2HB ARG 26 9.610 2.209 2.812 200 HB3 ARG 26 3HB ARG 26 10.714 0.980 3.416 201 HG2 ARG 26 2HG ARG 26 10.422 -0.337 1.415 202 HG3 ARG 26 3HG ARG 26 9.189 0.776 0.820 203 HD2 ARG 26 2HD ARG 26 11.310 1.191 -0.289 204 HD3 ARG 26 3HD ARG 26 10.863 2.569 0.717 205 HE ARG 26 HE ARG 26 12.561 0.774 2.126 206 HH11 ARG 26 1HH1 ARG 26 12.586 3.248 -0.271 207 HH12 ARG 26 2HH1 ARG 26 14.236 3.667 0.025 208 HH21 ARG 26 1HH2 ARG 26 14.674 1.342 2.513 209 HH22 ARG 26 2HH2 ARG 26 15.405 2.606 1.590 210 H SER 27 H SER 27 7.501 2.445 4.537 211 HA SER 27 HA SER 27 8.574 2.358 7.165 212 HB2 SER 27 2HB SER 27 7.656 4.427 6.208 213 HB3 SER 27 3HB SER 27 6.050 3.705 6.149 214 HG SER 27 HG SER 27 6.498 5.103 8.000 215 H TYR 28 H TYR 28 5.602 1.109 5.739 216 HA TYR 28 HA TYR 28 4.758 -0.058 8.285 217 HB2 TYR 28 2HB TYR 28 3.413 0.282 5.606 218 HB3 TYR 28 3HB TYR 28 2.729 -0.750 6.857 219 HD1 TYR 28 HD1 TYR 28 3.870 2.762 6.260 220 HD2 TYR 28 HD2 TYR 28 1.343 0.164 8.493 221 HE1 TYR 28 HE1 TYR 28 2.779 4.710 7.284 222 HE2 TYR 28 HE2 TYR 28 0.248 2.105 9.523 223 HH TYR 28 HH TYR 28 0.462 4.353 9.894 224 H ASN 29 H ASN 29 7.096 -1.086 6.610 225 HA ASN 29 HA ASN 29 8.094 -3.125 6.439 226 HB2 ASN 29 2HB ASN 29 7.096 -3.787 8.498 227 HB3 ASN 29 3HB ASN 29 5.526 -4.030 7.744 228 HD21 ASN 29 1HD2 ASN 29 8.731 -5.333 8.150 229 HD22 ASN 29 2HD2 ASN 29 8.343 -6.931 7.627 230 H LEU 30 H LEU 30 5.179 -2.451 4.786 231 HA LEU 30 HA LEU 30 4.953 -4.854 3.259 232 HB2 LEU 30 2HB LEU 30 3.836 -2.094 2.753 233 HB3 LEU 30 3HB LEU 30 3.402 -3.527 1.840 234 HG LEU 30 HG LEU 30 2.878 -3.090 4.790 235 HD11 LEU 30 1HD1 LEU 30 1.437 -1.718 3.394 236 HD12 LEU 30 2HD1 LEU 30 0.519 -3.034 4.127 237 HD13 LEU 30 3HD1 LEU 30 0.995 -3.130 2.431 238 HD21 LEU 30 3HD2 LEU 30 3.289 -5.442 4.310 239 HD22 LEU 30 1HD2 LEU 30 2.121 -5.393 2.990 240 HD23 LEU 30 2HD2 LEU 30 1.581 -5.170 4.652 241 H GLY 31 H GLY 31 7.395 -2.670 3.152 242 HA2 GLY 31 2HA GLY 31 7.774 -2.106 0.422 243 HA3 GLY 31 3HA GLY 31 9.050 -2.209 1.622 244 H CYS 32 H CYS 32 7.846 -5.141 1.939 245 HA CYS 32 HA CYS 32 9.738 -6.331 0.072 246 HB2 CYS 32 2HB CYS 32 8.031 -7.641 2.201 247 HB3 CYS 32 3HB CYS 32 9.327 -8.415 1.297 248 HG CYS 32 HG CYS 32 11.072 -6.186 2.402 249 H ILE 33 H ILE 33 6.809 -5.262 -0.550 250 HA ILE 33 HA ILE 33 5.216 -7.354 -1.431 251 HB ILE 33 HB ILE 33 4.337 -5.751 -3.182 252 HG12 ILE 33 2HG1 ILE 33 6.274 -3.843 -1.833 253 HG13 ILE 33 3HG1 ILE 33 6.427 -4.458 -3.475 254 HG21 ILE 33 1HG2 ILE 33 4.432 -4.875 -0.299 255 HG22 ILE 33 2HG2 ILE 33 3.269 -5.976 -1.035 256 HG23 ILE 33 3HG2 ILE 33 3.291 -4.274 -1.500 257 HD11 ILE 33 3HD1 ILE 33 5.542 -2.200 -3.454 258 HD12 ILE 33 1HD1 ILE 33 4.190 -2.724 -2.450 259 HD13 ILE 33 2HD1 ILE 33 4.355 -3.335 -4.097 260 H GLY 34 H GLY 34 8.082 -6.033 -2.974 261 HA2 GLY 34 2HA GLY 34 7.765 -7.264 -5.512 262 HA3 GLY 34 3HA GLY 34 9.288 -6.748 -4.800 263 H CYS 35 H CYS 35 9.427 -8.350 -2.556 264 HA CYS 35 HA CYS 35 10.332 -10.812 -3.676 265 HB2 CYS 35 2HB CYS 35 11.461 -9.815 -1.751 266 HB3 CYS 35 3HB CYS 35 10.012 -10.020 -0.773 267 HG CYS 35 HG CYS 35 10.500 -12.980 -1.786 268 H MET 36 H MET 36 7.471 -9.935 -1.762 269 HA MET 36 HA MET 36 6.567 -12.697 -1.651 270 HB2 MET 36 2HB MET 36 4.605 -11.801 -0.461 271 HB3 MET 36 3HB MET 36 6.115 -11.261 0.260 272 HG2 MET 36 2HG MET 36 5.882 -9.101 -0.842 273 HG3 MET 36 3HG MET 36 4.373 -9.633 -1.582 274 HE1 MET 36 3HE MET 36 2.920 -11.234 0.699 275 HE2 MET 36 1HE MET 36 2.124 -10.004 -0.284 276 HE3 MET 36 2HE MET 36 1.985 -9.958 1.477 277 H GLY 37 H GLY 37 6.507 -10.380 -4.022 278 HA2 GLY 37 2HA GLY 37 5.440 -10.254 -6.049 279 HA3 GLY 37 3HA GLY 37 4.886 -11.893 -5.756 280 H ALA 38 H ALA 38 4.176 -8.705 -4.293 281 HA ALA 38 HA ALA 38 1.312 -9.413 -4.356 282 HB1 ALA 38 3HB ALA 38 2.282 -9.035 -2.135 283 HB2 ALA 38 1HB ALA 38 1.025 -7.857 -2.513 284 HB3 ALA 38 2HB ALA 38 2.724 -7.396 -2.611 285 H GLN 39 H GLN 39 2.955 -8.037 -6.572 286 HA GLN 39 HA GLN 39 2.165 -5.332 -6.728 287 HB2 GLN 39 2HB GLN 39 2.888 -7.305 -8.898 288 HB3 GLN 39 3HB GLN 39 2.532 -5.616 -9.228 289 HG2 GLN 39 2HG GLN 39 4.747 -6.630 -7.450 290 HG3 GLN 39 3HG GLN 39 4.935 -6.023 -9.093 291 HE21 GLN 39 1HE2 GLN 39 4.325 -5.172 -5.784 292 HE22 GLN 39 2HE2 GLN 39 4.543 -3.472 -5.970 293 H ASN 40 H ASN 40 0.569 -8.254 -8.007 294 HA ASN 40 HA ASN 40 -1.660 -6.705 -9.056 295 HB2 ASN 40 2HB ASN 40 -1.390 -9.718 -8.841 296 HB3 ASN 40 3HB ASN 40 -2.535 -8.828 -9.841 297 HD21 ASN 40 1HD2 ASN 40 0.740 -9.886 -9.498 298 HD22 ASN 40 2HD2 ASN 40 1.257 -9.449 -11.087 299 H GLU 41 H GLU 41 -0.823 -7.752 -6.036 300 HA GLU 41 HA GLU 41 -3.461 -8.576 -5.132 301 HB2 GLU 41 2HB GLU 41 -1.423 -9.706 -4.314 302 HB3 GLU 41 3HB GLU 41 -0.869 -8.195 -3.609 303 HG2 GLU 41 2HG GLU 41 -2.574 -8.225 -1.970 304 HG3 GLU 41 3HG GLU 41 -3.458 -9.501 -2.803 305 H SER 42 H SER 42 -4.737 -7.419 -3.611 306 HA SER 42 HA SER 42 -4.584 -4.568 -3.918 307 HB2 SER 42 2HB SER 42 -6.679 -4.459 -2.736 308 HB3 SER 42 3HB SER 42 -6.749 -5.823 -3.847 309 HG SER 42 HG SER 42 -7.544 -6.247 -1.683 310 H LEU 43 H LEU 43 -4.417 -2.991 -2.293 311 HA LEU 43 HA LEU 43 -2.334 -3.186 -0.512 312 HB2 LEU 43 2HB LEU 43 -4.765 -1.398 -0.331 313 HB3 LEU 43 3HB LEU 43 -3.295 -1.166 0.597 314 HG LEU 43 HG LEU 43 -3.456 -1.072 -2.425 315 HD11 LEU 43 1HD1 LEU 43 -3.234 1.177 -0.426 316 HD12 LEU 43 2HD1 LEU 43 -4.648 0.798 -1.406 317 HD13 LEU 43 3HD1 LEU 43 -3.160 1.339 -2.181 318 HD21 LEU 43 3HD2 LEU 43 -1.191 -0.137 -2.271 319 HD22 LEU 43 1HD2 LEU 43 -1.265 -1.777 -1.625 320 HD23 LEU 43 2HD2 LEU 43 -1.205 -0.397 -0.525 321 H GLU 44 H GLU 44 -5.753 -3.822 0.139 322 HA GLU 44 HA GLU 44 -5.527 -4.098 2.943 323 HB2 GLU 44 2HB GLU 44 -7.676 -3.729 1.889 324 HB3 GLU 44 3HB GLU 44 -7.558 -5.254 1.021 325 HG2 GLU 44 2HG GLU 44 -7.728 -6.496 3.084 326 HG3 GLU 44 3HG GLU 44 -7.687 -5.005 4.025 327 H GLN 45 H GLN 45 -5.481 -6.584 0.364 328 HA GLN 45 HA GLN 45 -5.382 -8.824 2.051 329 HB2 GLN 45 2HB GLN 45 -4.151 -8.538 -0.701 330 HB3 GLN 45 3HB GLN 45 -4.522 -10.056 0.110 331 HG2 GLN 45 2HG GLN 45 -6.904 -9.501 0.061 332 HG3 GLN 45 3HG GLN 45 -6.533 -7.980 -0.749 333 HE21 GLN 45 1HE2 GLN 45 -7.695 -8.459 -2.586 334 HE22 GLN 45 2HE2 GLN 45 -7.212 -9.670 -3.717 335 H GLY 46 H GLY 46 -2.673 -7.077 0.494 336 HA2 GLY 46 2HA GLY 46 -0.586 -8.531 1.693 337 HA3 GLY 46 3HA GLY 46 -0.456 -6.892 1.079 338 H ALA 47 H ALA 47 -2.299 -5.633 2.823 339 HA ALA 47 HA ALA 47 -0.742 -5.043 5.070 340 HB1 ALA 47 3HB ALA 47 -2.484 -3.552 4.203 341 HB2 ALA 47 1HB ALA 47 -2.701 -3.860 5.926 342 HB3 ALA 47 2HB ALA 47 -3.725 -4.681 4.747 343 H ASN 48 H ASN 48 -3.791 -6.942 5.005 344 HA ASN 48 HA ASN 48 -3.642 -7.790 7.687 345 HB2 ASN 48 2HB ASN 48 -5.065 -9.074 5.345 346 HB3 ASN 48 3HB ASN 48 -5.278 -9.558 7.023 347 HD21 ASN 48 1HD2 ASN 48 -6.021 -7.192 4.631 348 HD22 ASN 48 2HD2 ASN 48 -7.130 -6.284 5.589 349 H ALA 49 H ALA 49 -2.331 -9.229 4.733 350 HA ALA 49 HA ALA 49 -1.518 -11.704 5.738 351 HB1 ALA 49 3HB ALA 49 0.116 -11.743 3.919 352 HB2 ALA 49 1HB ALA 49 -0.114 -10.011 3.667 353 HB3 ALA 49 2HB ALA 49 -1.441 -11.131 3.360 354 H HIS 50 H HIS 50 0.003 -8.530 6.037 355 HA HIS 50 HA HIS 50 2.233 -9.692 7.562 356 HB2 HIS 50 2HB HIS 50 1.763 -6.914 6.460 357 HB3 HIS 50 3HB HIS 50 3.113 -7.309 7.521 358 HD1 HIS 50 HD1 HIS 50 5.190 -7.826 6.292 359 HD2 HIS 50 HD2 HIS 50 1.824 -8.797 4.061 360 HE1 HIS 50 HE1 HIS 50 6.061 -8.641 4.090 361 HE2 HIS 50 HE2 HIS 50 4.023 -9.455 2.869 362 H GLY 51 H GLY 51 -0.782 -8.983 8.343 363 HA2 GLY 51 2HA GLY 51 -1.823 -8.683 10.374 364 HA3 GLY 51 3HA GLY 51 -0.239 -8.694 11.126 365 H LEU 52 H LEU 52 -1.587 -6.442 8.721 366 HA LEU 52 HA LEU 52 -1.184 -4.239 10.658 367 HB2 LEU 52 2HB LEU 52 -0.864 -4.164 7.652 368 HB3 LEU 52 3HB LEU 52 -0.637 -2.805 8.738 369 HG LEU 52 HG LEU 52 1.050 -5.317 8.754 370 HD11 LEU 52 1HD1 LEU 52 2.793 -3.925 7.747 371 HD12 LEU 52 2HD1 LEU 52 1.650 -2.588 7.611 372 HD13 LEU 52 3HD1 LEU 52 1.385 -4.073 6.697 373 HD21 LEU 52 3HD2 LEU 52 1.384 -2.684 10.205 374 HD22 LEU 52 1HD2 LEU 52 2.542 -4.017 10.205 375 HD23 LEU 52 2HD2 LEU 52 0.952 -4.232 10.933 376 H ASN 53 H ASN 53 -2.573 -2.370 10.412 377 HA ASN 53 HA ASN 53 -5.258 -3.006 9.468 378 HB2 ASN 53 2HB ASN 53 -5.097 -1.934 11.641 379 HB3 ASN 53 3HB ASN 53 -4.159 -0.607 10.962 380 HD21 ASN 53 1HD2 ASN 53 -5.665 0.918 11.682 381 HD22 ASN 53 2HD2 ASN 53 -7.205 1.106 10.919 382 H VAL 54 H VAL 54 -5.750 -2.647 7.398 383 HA VAL 54 HA VAL 54 -4.146 -1.225 5.595 384 HB VAL 54 HB VAL 54 -5.706 -2.984 4.884 385 HG11 VAL 54 1HG1 VAL 54 -7.606 -2.417 6.327 386 HG12 VAL 54 2HG1 VAL 54 -8.092 -2.548 4.637 387 HG13 VAL 54 3HG1 VAL 54 -7.893 -0.957 5.376 388 HG21 VAL 54 3HG2 VAL 54 -4.858 -1.439 3.208 389 HG22 VAL 54 1HG2 VAL 54 -6.175 -0.314 3.542 390 HG23 VAL 54 2HG2 VAL 54 -6.520 -1.888 2.826 391 H GLU 55 H GLU 55 -6.964 -0.143 7.448 392 HA GLU 55 HA GLU 55 -7.465 2.239 6.026 393 HB2 GLU 55 2HB GLU 55 -8.016 1.555 8.925 394 HB3 GLU 55 3HB GLU 55 -8.659 2.969 8.097 395 HG2 GLU 55 2HG GLU 55 -9.835 1.510 6.517 396 HG3 GLU 55 3HG GLU 55 -9.195 0.096 7.352 397 H ASP 56 H ASP 56 -5.296 1.579 8.753 398 HA ASP 56 HA ASP 56 -4.531 4.259 9.253 399 HB2 ASP 56 2HB ASP 56 -4.146 2.247 10.753 400 HB3 ASP 56 3HB ASP 56 -2.813 1.806 9.693 401 H ILE 57 H ILE 57 -3.359 1.807 7.018 402 HA ILE 57 HA ILE 57 -1.062 3.231 6.099 403 HB ILE 57 HB ILE 57 -2.634 1.098 4.633 404 HG12 ILE 57 2HG1 ILE 57 -0.260 0.761 6.491 405 HG13 ILE 57 3HG1 ILE 57 -1.926 0.376 6.912 406 HG21 ILE 57 1HG2 ILE 57 -1.068 2.318 3.203 407 HG22 ILE 57 2HG2 ILE 57 -0.521 0.662 3.464 408 HG23 ILE 57 3HG2 ILE 57 0.240 1.990 4.341 409 HD11 ILE 57 3HD1 ILE 57 -1.984 -1.347 5.213 410 HD12 ILE 57 1HD1 ILE 57 -0.626 -1.604 6.306 411 HD13 ILE 57 2HD1 ILE 57 -0.348 -0.927 4.702 412 H LEU 58 H LEU 58 -4.305 2.723 4.674 413 HA LEU 58 HA LEU 58 -4.080 4.290 2.394 414 HB2 LEU 58 2HB LEU 58 -6.523 4.000 4.159 415 HB3 LEU 58 3HB LEU 58 -6.527 4.532 2.489 416 HG LEU 58 HG LEU 58 -5.757 1.778 3.470 417 HD11 LEU 58 1HD1 LEU 58 -8.153 2.182 3.608 418 HD12 LEU 58 2HD1 LEU 58 -7.787 1.040 2.317 419 HD13 LEU 58 3HD1 LEU 58 -8.177 2.716 1.927 420 HD21 LEU 58 3HD2 LEU 58 -5.632 1.177 1.096 421 HD22 LEU 58 1HD2 LEU 58 -4.441 2.404 1.522 422 HD23 LEU 58 2HD2 LEU 58 -5.908 2.862 0.657 423 H ARG 59 H ARG 59 -4.787 5.258 5.698 424 HA ARG 59 HA ARG 59 -5.410 7.929 5.458 425 HB2 ARG 59 2HB ARG 59 -5.433 6.832 7.591 426 HB3 ARG 59 3HB ARG 59 -3.717 6.465 7.489 427 HG2 ARG 59 2HG ARG 59 -3.316 8.971 7.540 428 HG3 ARG 59 3HG ARG 59 -5.021 9.129 7.982 429 HD2 ARG 59 2HD ARG 59 -3.565 9.116 9.961 430 HD3 ARG 59 3HD ARG 59 -4.659 7.732 9.949 431 HE ARG 59 HE ARG 59 -2.513 6.640 8.846 432 HH11 ARG 59 1HH1 ARG 59 -2.768 8.670 11.617 433 HH12 ARG 59 2HH1 ARG 59 -1.340 8.030 12.351 434 HH21 ARG 59 1HH2 ARG 59 -0.709 5.801 9.812 435 HH22 ARG 59 2HH2 ARG 59 -0.195 6.416 11.344 436 H ASP 60 H ASP 60 -2.111 6.551 5.695 437 HA ASP 60 HA ASP 60 -0.831 9.094 5.387 438 HB2 ASP 60 2HB ASP 60 0.049 6.908 6.516 439 HB3 ASP 60 3HB ASP 60 0.539 6.453 4.886 440 H LEU 61 H LEU 61 -1.596 6.413 3.214 441 HA LEU 61 HA LEU 61 -0.143 7.190 0.960 442 HB2 LEU 61 2HB LEU 61 -2.810 5.776 1.092 443 HB3 LEU 61 3HB LEU 61 -1.798 5.871 -0.337 444 HG LEU 61 HG LEU 61 -1.085 4.476 2.250 445 HD11 LEU 61 1HD1 LEU 61 -2.766 3.264 0.998 446 HD12 LEU 61 2HD1 LEU 61 -1.217 2.430 0.890 447 HD13 LEU 61 3HD1 LEU 61 -1.799 3.384 -0.473 448 HD21 LEU 61 3HD2 LEU 61 0.898 5.434 1.199 449 HD22 LEU 61 1HD2 LEU 61 0.467 4.679 -0.337 450 HD23 LEU 61 2HD2 LEU 61 0.898 3.678 1.050 451 H ASN 62 H ASN 62 -3.564 7.974 1.729 452 HA ASN 62 HA ASN 62 -3.863 9.720 -0.510 453 HB2 ASN 62 2HB ASN 62 -5.495 9.430 2.024 454 HB3 ASN 62 3HB ASN 62 -5.936 10.515 0.707 455 HD21 ASN 62 1HD2 ASN 62 -5.825 7.257 1.794 456 HD22 ASN 62 2HD2 ASN 62 -6.637 6.551 0.445 457 H ALA 63 H ALA 63 -2.786 10.187 2.802 458 HA ALA 63 HA ALA 63 -2.862 12.974 2.962 459 HB1 ALA 63 3HB ALA 63 -2.362 11.545 4.875 460 HB2 ALA 63 1HB ALA 63 -1.108 12.767 4.655 461 HB3 ALA 63 2HB ALA 63 -0.813 11.102 4.151 462 H LEU 64 H LEU 64 -0.553 10.857 1.341 463 HA LEU 64 HA LEU 64 1.482 12.673 0.724 464 HB2 LEU 64 2HB LEU 64 0.386 10.398 -0.943 465 HB3 LEU 64 3HB LEU 64 1.895 11.226 -1.272 466 HG LEU 64 HG LEU 64 1.330 9.662 1.255 467 HD11 LEU 64 1HD1 LEU 64 2.784 7.939 0.307 468 HD12 LEU 64 2HD1 LEU 64 2.897 8.854 -1.197 469 HD13 LEU 64 3HD1 LEU 64 1.348 8.186 -0.684 470 HD21 LEU 64 3HD2 LEU 64 3.901 10.809 0.149 471 HD22 LEU 64 1HD2 LEU 64 3.749 9.820 1.602 472 HD23 LEU 64 2HD2 LEU 64 3.008 11.418 1.542 473 H ALA 65 H ALA 65 -1.671 12.212 -0.757 474 HA ALA 65 HA ALA 65 -1.119 13.988 -2.982 475 HB1 ALA 65 3HB ALA 65 -3.722 12.728 -2.112 476 HB2 ALA 65 1HB ALA 65 -2.575 12.033 -3.256 477 HB3 ALA 65 2HB ALA 65 -3.413 13.533 -3.652 478 H LEU 66 H LEU 66 -2.836 14.133 0.093 479 HA LEU 66 HA LEU 66 -4.055 16.681 -0.387 480 HB2 LEU 66 2HB LEU 66 -3.602 15.206 2.214 481 HB3 LEU 66 3HB LEU 66 -4.634 16.611 2.010 482 HG LEU 66 HG LEU 66 -5.064 13.896 0.744 483 HD11 LEU 66 1HD1 LEU 66 -7.027 13.784 2.198 484 HD12 LEU 66 2HD1 LEU 66 -6.569 15.317 2.940 485 HD13 LEU 66 3HD1 LEU 66 -5.536 13.900 3.129 486 HD21 LEU 66 3HD2 LEU 66 -7.186 14.802 -0.059 487 HD22 LEU 66 1HD2 LEU 66 -5.826 15.711 -0.720 488 HD23 LEU 66 2HD2 LEU 66 -6.777 16.383 0.605 489 H GLU 67 H GLU 67 -0.999 15.642 0.940 490 HA GLU 67 HA GLU 67 0.816 16.724 1.769 491 HB2 GLU 67 2HB GLU 67 -0.232 19.040 0.120 492 HB3 GLU 67 3HB GLU 67 1.415 18.857 0.714 493 HG2 GLU 67 2HG GLU 67 1.669 16.831 -0.666 494 HG3 GLU 67 3HG GLU 67 0.034 17.058 -1.283 495 H HIS 68 H HIS 68 0.054 16.693 3.941 496 HA HIS 68 HA HIS 68 -1.576 18.886 4.910 497 HB2 HIS 68 2HB HIS 68 -1.407 17.674 7.122 498 HB3 HIS 68 3HB HIS 68 -2.136 16.757 5.811 499 HD1 HIS 68 HD1 HIS 68 1.203 17.039 7.619 500 HD2 HIS 68 HD2 HIS 68 -0.996 14.322 5.373 501 HE1 HIS 68 HE1 HIS 68 2.465 14.876 7.758 502 HE2 HIS 68 HE2 HIS 68 1.056 13.217 6.495 503 H HIS 69 H HIS 69 -0.561 20.800 5.155 504 HA HIS 69 HA HIS 69 2.054 20.901 6.485 505 HB2 HIS 69 2HB HIS 69 0.422 23.048 5.108 506 HB3 HIS 69 3HB HIS 69 1.960 23.347 5.912 507 HD1 HIS 69 HD1 HIS 69 0.490 21.896 2.814 508 HD2 HIS 69 HD2 HIS 69 4.231 22.326 4.569 509 HE1 HIS 69 HE1 HIS 69 2.141 21.317 1.022 510 HE2 HIS 69 HE2 HIS 69 4.397 21.666 2.074 511 H HIS 70 H HIS 70 -1.314 21.547 7.080 512 HA HIS 70 HA HIS 70 -0.669 22.620 9.755 513 HB2 HIS 70 2HB HIS 70 -3.349 22.539 8.335 514 HB3 HIS 70 3HB HIS 70 -3.014 23.312 9.879 515 HD1 HIS 70 HD1 HIS 70 -3.498 24.164 6.503 516 HD2 HIS 70 HD2 HIS 70 -0.794 25.384 9.415 517 HE1 HIS 70 HE1 HIS 70 -2.630 26.389 5.726 518 HE2 HIS 70 HE2 HIS 70 -0.883 27.028 7.416 519 H HIS 71 H HIS 71 -2.675 21.860 11.329 520 HA HIS 71 HA HIS 71 -2.957 18.935 11.075 521 HB2 HIS 71 2HB HIS 71 -2.098 20.354 13.611 522 HB3 HIS 71 3HB HIS 71 -2.364 18.624 13.427 523 HD1 HIS 71 HD1 HIS 71 0.134 21.291 12.878 524 HD2 HIS 71 HD2 HIS 71 -0.333 17.275 11.925 525 HE1 HIS 71 HE1 HIS 71 2.399 20.511 12.134 526 HE2 HIS 71 HE2 HIS 71 2.123 18.053 11.705 527 H HIS 72 H HIS 72 -4.653 18.018 12.430 528 HA HIS 72 HA HIS 72 -6.820 19.911 13.035 529 HB2 HIS 72 2HB HIS 72 -6.792 16.900 12.722 530 HB3 HIS 72 3HB HIS 72 -8.197 17.793 13.297 531 HD1 HIS 72 HD1 HIS 72 -9.621 18.980 11.575 532 HD2 HIS 72 HD2 HIS 72 -6.140 17.378 9.963 533 HE1 HIS 72 HE1 HIS 72 -9.891 19.155 9.090 534 HE2 HIS 72 HE2 HIS 72 -7.726 18.311 8.140 535 H HIS 73 H HIS 73 -6.425 20.763 15.018 536 HA HIS 73 HA HIS 73 -5.248 19.338 17.178 537 HB2 HIS 73 2HB HIS 73 -5.746 21.336 18.525 538 HB3 HIS 73 3HB HIS 73 -5.009 21.753 16.985 539 HD1 HIS 73 HD1 HIS 73 -7.729 22.680 19.128 540 HD2 HIS 73 HD2 HIS 73 -7.110 22.606 15.023 541 HE1 HIS 73 HE1 HIS 73 -9.474 24.199 18.158 542 HE2 HIS 73 HE2 HIS 73 -9.183 24.003 15.668 Start of MODEL 18 1 H1 MET 1 1H MET 1 -17.496 12.415 -2.989 2 H2 MET 1 2H MET 1 -17.224 10.794 -3.375 3 H3 MET 1 3H MET 1 -15.968 11.919 -3.511 4 HA MET 1 HA MET 1 -15.971 12.286 -1.143 5 HB2 MET 1 2HB MET 1 -18.165 10.204 -1.174 6 HB3 MET 1 3HB MET 1 -17.322 10.710 0.287 7 HG2 MET 1 2HG MET 1 -18.999 12.455 -1.509 8 HG3 MET 1 3HG MET 1 -19.433 11.863 0.096 9 HE1 MET 1 3HE MET 1 -18.878 15.701 0.716 10 HE2 MET 1 1HE MET 1 -20.003 14.350 0.865 11 HE3 MET 1 2HE MET 1 -19.562 14.962 -0.731 12 H THR 2 H THR 2 -15.767 9.590 -3.266 13 HA THR 2 HA THR 2 -14.435 7.721 -1.628 14 HB THR 2 HB THR 2 -15.334 7.026 -3.770 15 HG1 THR 2 HG1 THR 2 -13.291 6.065 -4.649 16 HG21 THR 2 3HG2 THR 2 -13.241 8.825 -5.011 17 HG22 THR 2 1HG2 THR 2 -14.987 9.069 -5.055 18 HG23 THR 2 2HG2 THR 2 -14.267 7.694 -5.891 19 H GLN 3 H GLN 3 -12.154 7.099 -1.668 20 HA GLN 3 HA GLN 3 -10.470 9.423 -1.273 21 HB2 GLN 3 2HB GLN 3 -9.864 6.474 -0.957 22 HB3 GLN 3 3HB GLN 3 -8.808 7.785 -0.450 23 HG2 GLN 3 2HG GLN 3 -10.507 8.536 1.146 24 HG3 GLN 3 3HG GLN 3 -11.564 7.218 0.640 25 HE21 GLN 3 1HE2 GLN 3 -11.010 5.093 1.211 26 HE22 GLN 3 2HE2 GLN 3 -9.881 4.758 2.471 27 H LYS 4 H LYS 4 -8.081 9.197 -1.994 28 HA LYS 4 HA LYS 4 -7.949 8.675 -4.868 29 HB2 LYS 4 2HB LYS 4 -5.975 9.881 -2.910 30 HB3 LYS 4 3HB LYS 4 -5.616 9.618 -4.612 31 HG2 LYS 4 2HG LYS 4 -7.885 11.330 -3.600 32 HG3 LYS 4 3HG LYS 4 -6.298 11.947 -4.067 33 HD2 LYS 4 2HD LYS 4 -8.104 10.370 -5.907 34 HD3 LYS 4 3HD LYS 4 -8.063 12.131 -5.846 35 HE2 LYS 4 2HE LYS 4 -5.673 10.389 -6.457 36 HE3 LYS 4 3HE LYS 4 -6.695 11.146 -7.679 37 HZ1 LYS 4 3HZ LYS 4 -5.270 12.682 -5.578 38 HZ2 LYS 4 1HZ LYS 4 -6.052 13.288 -6.947 39 HZ3 LYS 4 2HZ LYS 4 -4.629 12.397 -7.117 40 H PHE 5 H PHE 5 -6.868 7.338 -1.844 41 HA PHE 5 HA PHE 5 -5.814 4.994 -3.295 42 HB2 PHE 5 2HB PHE 5 -4.781 6.150 -0.686 43 HB3 PHE 5 3HB PHE 5 -4.246 4.632 -1.398 44 HD1 PHE 5 HD1 PHE 5 -2.884 4.617 -3.431 45 HD2 PHE 5 HD2 PHE 5 -4.056 8.271 -1.580 46 HE1 PHE 5 HE1 PHE 5 -1.193 5.824 -4.745 47 HE2 PHE 5 HE2 PHE 5 -2.366 9.480 -2.893 48 HZ PHE 5 HZ PHE 5 -0.934 8.261 -4.477 49 H THR 6 H THR 6 -7.071 3.275 -2.966 50 HA THR 6 HA THR 6 -8.591 3.059 -0.429 51 HB THR 6 HB THR 6 -10.191 3.568 -2.137 52 HG1 THR 6 HG1 THR 6 -11.510 1.812 -1.889 53 HG21 THR 6 3HG2 THR 6 -10.426 2.245 -4.190 54 HG22 THR 6 1HG2 THR 6 -9.000 1.303 -3.752 55 HG23 THR 6 2HG2 THR 6 -8.846 3.023 -4.108 56 H LYS 7 H LYS 7 -9.171 0.867 0.223 57 HA LYS 7 HA LYS 7 -7.030 -0.958 0.186 58 HB2 LYS 7 2HB LYS 7 -8.551 -2.500 1.284 59 HB3 LYS 7 3HB LYS 7 -8.806 -0.879 1.919 60 HG2 LYS 7 2HG LYS 7 -10.793 -0.619 0.541 61 HG3 LYS 7 3HG LYS 7 -10.519 -2.200 -0.189 62 HD2 LYS 7 2HD LYS 7 -12.217 -2.428 1.486 63 HD3 LYS 7 3HD LYS 7 -10.755 -3.219 2.076 64 HE2 LYS 7 2HE LYS 7 -10.244 -1.220 3.424 65 HE3 LYS 7 3HE LYS 7 -11.731 -0.465 2.848 66 HZ1 LYS 7 3HZ LYS 7 -12.107 -1.432 4.989 67 HZ2 LYS 7 1HZ LYS 7 -11.515 -2.934 4.479 68 HZ3 LYS 7 2HZ LYS 7 -12.959 -2.334 3.840 69 H ASP 8 H ASP 8 -9.692 -0.511 -1.972 70 HA ASP 8 HA ASP 8 -9.907 -3.049 -3.150 71 HB2 ASP 8 2HB ASP 8 -11.642 -1.394 -3.383 72 HB3 ASP 8 3HB ASP 8 -10.544 -0.278 -4.187 73 H MET 9 H MET 9 -7.896 -0.260 -4.067 74 HA MET 9 HA MET 9 -6.992 -1.439 -6.516 75 HB2 MET 9 2HB MET 9 -5.462 0.493 -6.628 76 HB3 MET 9 3HB MET 9 -7.125 0.966 -6.317 77 HG2 MET 9 2HG MET 9 -6.491 1.066 -3.866 78 HG3 MET 9 3HG MET 9 -4.816 0.935 -4.395 79 HE1 MET 9 3HE MET 9 -3.613 2.733 -5.943 80 HE2 MET 9 1HE MET 9 -4.401 4.191 -6.548 81 HE3 MET 9 2HE MET 9 -4.898 2.607 -7.145 82 H THR 10 H THR 10 -4.797 -2.006 -7.039 83 HA THR 10 HA THR 10 -3.668 -3.731 -5.003 84 HB THR 10 HB THR 10 -2.229 -4.600 -6.769 85 HG1 THR 10 HG1 THR 10 -2.633 -3.634 -8.955 86 HG21 THR 10 3HG2 THR 10 -5.078 -4.186 -7.702 87 HG22 THR 10 1HG2 THR 10 -4.488 -5.501 -6.682 88 HG23 THR 10 2HG2 THR 10 -3.958 -5.379 -8.360 89 H PHE 11 H PHE 11 -1.322 -3.853 -4.624 90 HA PHE 11 HA PHE 11 -0.112 -1.478 -3.817 91 HB2 PHE 11 2HB PHE 11 1.137 -4.134 -4.554 92 HB3 PHE 11 3HB PHE 11 2.045 -2.808 -3.836 93 HD1 PHE 11 HD2 PHE 11 1.556 -2.075 -1.527 94 HD2 PHE 11 HD1 PHE 11 -0.313 -5.501 -3.234 95 HE1 PHE 11 HE2 PHE 11 0.903 -2.837 0.721 96 HE2 PHE 11 HE1 PHE 11 -0.969 -6.264 -0.992 97 HZ PHE 11 HZ PHE 11 -0.359 -4.932 0.990 98 H ALA 12 H ALA 12 0.251 -3.233 -6.886 99 HA ALA 12 HA ALA 12 2.235 -1.658 -8.072 100 HB1 ALA 12 3HB ALA 12 1.474 -3.777 -9.020 101 HB2 ALA 12 1HB ALA 12 1.390 -2.486 -10.218 102 HB3 ALA 12 2HB ALA 12 -0.082 -3.051 -9.424 103 H GLN 13 H GLN 13 -1.320 -1.295 -8.324 104 HA GLN 13 HA GLN 13 -1.319 1.018 -9.912 105 HB2 GLN 13 2HB GLN 13 -3.351 0.184 -7.831 106 HB3 GLN 13 3HB GLN 13 -3.616 1.387 -9.085 107 HG2 GLN 13 2HG GLN 13 -3.303 -0.353 -10.798 108 HG3 GLN 13 3HG GLN 13 -3.088 -1.552 -9.525 109 HE21 GLN 13 1HE2 GLN 13 -5.379 1.097 -9.419 110 HE22 GLN 13 2HE2 GLN 13 -6.798 0.116 -9.495 111 H ALA 14 H ALA 14 -1.329 0.695 -6.364 112 HA ALA 14 HA ALA 14 -1.503 3.404 -5.690 113 HB1 ALA 14 3HB ALA 14 -1.730 1.592 -4.063 114 HB2 ALA 14 1HB ALA 14 -0.519 2.763 -3.542 115 HB3 ALA 14 2HB ALA 14 -0.015 1.217 -4.227 116 H LEU 15 H LEU 15 1.422 1.408 -6.146 117 HA LEU 15 HA LEU 15 3.333 3.418 -5.766 118 HB2 LEU 15 2HB LEU 15 3.476 0.948 -7.507 119 HB3 LEU 15 3HB LEU 15 4.857 1.941 -7.070 120 HG LEU 15 HG LEU 15 3.135 0.389 -5.121 121 HD11 LEU 15 1HD1 LEU 15 4.497 -1.074 -6.531 122 HD12 LEU 15 2HD1 LEU 15 5.071 -1.070 -4.865 123 HD13 LEU 15 3HD1 LEU 15 5.942 -0.156 -6.098 124 HD21 LEU 15 3HD2 LEU 15 4.063 2.420 -4.124 125 HD22 LEU 15 1HD2 LEU 15 5.678 1.961 -4.669 126 HD23 LEU 15 2HD2 LEU 15 4.838 0.980 -3.468 127 H GLN 16 H GLN 16 1.552 2.496 -8.684 128 HA GLN 16 HA GLN 16 3.088 4.213 -10.411 129 HB2 GLN 16 2HB GLN 16 0.444 2.819 -10.891 130 HB3 GLN 16 3HB GLN 16 1.389 3.648 -12.122 131 HG2 GLN 16 2HG GLN 16 2.135 1.157 -10.606 132 HG3 GLN 16 3HG GLN 16 1.800 1.314 -12.329 133 HE21 GLN 16 1HE2 GLN 16 4.127 1.821 -9.813 134 HE22 GLN 16 2HE2 GLN 16 5.462 2.185 -10.843 135 H THR 17 H THR 17 0.242 4.611 -8.453 136 HA THR 17 HA THR 17 -0.625 7.062 -9.713 137 HB THR 17 HB THR 17 -1.342 5.957 -6.977 138 HG1 THR 17 HG1 THR 17 -2.211 4.526 -8.354 139 HG21 THR 17 3HG2 THR 17 -1.812 8.371 -7.163 140 HG22 THR 17 1HG2 THR 17 -3.303 7.429 -7.098 141 HG23 THR 17 2HG2 THR 17 -2.734 8.076 -8.637 142 H HIS 18 H HIS 18 1.347 6.192 -6.916 143 HA HIS 18 HA HIS 18 2.678 8.772 -7.045 144 HB2 HIS 18 2HB HIS 18 0.941 7.955 -4.754 145 HB3 HIS 18 3HB HIS 18 2.460 8.751 -4.369 146 HD1 HIS 18 HD1 HIS 18 -0.865 9.378 -5.976 147 HD2 HIS 18 HD2 HIS 18 2.559 11.474 -4.939 148 HE1 HIS 18 HE1 HIS 18 -1.470 11.796 -6.203 149 HE2 HIS 18 HE2 HIS 18 0.694 13.016 -5.842 150 HA PRO 19 HA PRO 19 5.968 5.650 -6.436 151 HB2 PRO 19 2HB PRO 19 7.484 8.234 -6.463 152 HB3 PRO 19 3HB PRO 19 7.842 6.710 -7.285 153 HG2 PRO 19 2HG PRO 19 6.828 8.737 -8.655 154 HG3 PRO 19 3HG PRO 19 6.249 7.084 -8.949 155 HD2 PRO 19 2HD PRO 19 4.936 9.310 -7.427 156 HD3 PRO 19 3HD PRO 19 4.210 8.095 -8.499 157 H GLY 20 H GLY 20 5.316 8.585 -4.597 158 HA2 GLY 20 2HA GLY 20 6.999 8.188 -2.390 159 HA3 GLY 20 3HA GLY 20 5.472 9.051 -2.354 160 H VAL 21 H VAL 21 4.029 6.584 -3.254 161 HA VAL 21 HA VAL 21 3.236 5.514 -0.811 162 HB VAL 21 HB VAL 21 3.069 4.297 -3.581 163 HG11 VAL 21 1HG1 VAL 21 2.864 2.518 -1.922 164 HG12 VAL 21 2HG1 VAL 21 1.302 2.833 -2.679 165 HG13 VAL 21 3HG1 VAL 21 1.636 3.441 -1.059 166 HG21 VAL 21 3HG2 VAL 21 1.881 6.419 -3.340 167 HG22 VAL 21 1HG2 VAL 21 1.026 5.795 -1.929 168 HG23 VAL 21 2HG2 VAL 21 0.745 5.083 -3.520 169 H ALA 22 H ALA 22 5.863 4.553 -2.944 170 HA ALA 22 HA ALA 22 6.505 2.048 -1.909 171 HB1 ALA 22 3HB ALA 22 8.413 4.166 -2.906 172 HB2 ALA 22 1HB ALA 22 7.569 2.980 -3.901 173 HB3 ALA 22 2HB ALA 22 8.776 2.449 -2.730 174 H GLY 23 H GLY 23 7.730 5.243 -0.842 175 HA2 GLY 23 2HA GLY 23 9.291 4.307 1.310 176 HA3 GLY 23 3HA GLY 23 8.638 5.930 1.157 177 H VAL 24 H VAL 24 5.859 5.168 1.150 178 HA VAL 24 HA VAL 24 5.340 5.002 3.937 179 HB VAL 24 HB VAL 24 3.408 4.519 1.652 180 HG11 VAL 24 1HG1 VAL 24 2.573 3.688 3.795 181 HG12 VAL 24 2HG1 VAL 24 1.667 5.104 3.264 182 HG13 VAL 24 3HG1 VAL 24 2.880 5.261 4.536 183 HG21 VAL 24 3HG2 VAL 24 4.134 7.068 3.109 184 HG22 VAL 24 1HG2 VAL 24 2.778 6.898 1.993 185 HG23 VAL 24 2HG2 VAL 24 4.429 6.693 1.411 186 H LEU 25 H LEU 25 4.750 2.616 1.323 187 HA LEU 25 HA LEU 25 3.924 0.478 2.909 188 HB2 LEU 25 2HB LEU 25 5.549 0.371 0.357 189 HB3 LEU 25 3HB LEU 25 4.673 -0.979 1.059 190 HG LEU 25 HG LEU 25 3.429 1.561 -0.019 191 HD11 LEU 25 1HD1 LEU 25 3.378 -1.249 -1.119 192 HD12 LEU 25 2HD1 LEU 25 4.317 0.094 -1.770 193 HD13 LEU 25 3HD1 LEU 25 2.555 0.157 -1.797 194 HD21 LEU 25 3HD2 LEU 25 2.125 -0.924 1.101 195 HD22 LEU 25 1HD2 LEU 25 1.286 0.420 0.326 196 HD23 LEU 25 2HD2 LEU 25 2.139 0.674 1.847 197 H ARG 26 H ARG 26 7.224 1.393 1.934 198 HA ARG 26 HA ARG 26 8.637 -0.619 3.291 199 HB2 ARG 26 2HB ARG 26 9.373 2.237 2.616 200 HB3 ARG 26 3HB ARG 26 10.510 1.116 3.354 201 HG2 ARG 26 2HG ARG 26 10.479 -0.307 1.449 202 HG3 ARG 26 3HG ARG 26 9.112 0.559 0.745 203 HD2 ARG 26 2HD ARG 26 11.347 1.086 -0.273 204 HD3 ARG 26 3HD ARG 26 10.443 2.482 0.312 205 HE ARG 26 HE ARG 26 12.009 1.932 2.413 206 HH11 ARG 26 1HH1 ARG 26 12.757 2.193 -0.945 207 HH12 ARG 26 2HH1 ARG 26 14.345 2.809 -0.650 208 HH21 ARG 26 1HH2 ARG 26 14.033 2.722 2.773 209 HH22 ARG 26 2HH2 ARG 26 15.057 3.112 1.435 210 H SER 27 H SER 27 7.483 2.542 4.426 211 HA SER 27 HA SER 27 8.577 2.495 7.013 212 HB2 SER 27 2HB SER 27 7.597 4.522 6.048 213 HB3 SER 27 3HB SER 27 5.999 3.781 6.054 214 HG SER 27 HG SER 27 6.542 5.247 7.854 215 H TYR 28 H TYR 28 5.612 1.079 5.738 216 HA TYR 28 HA TYR 28 4.916 0.026 8.389 217 HB2 TYR 28 2HB TYR 28 3.361 0.202 5.802 218 HB3 TYR 28 3HB TYR 28 2.775 -0.677 7.214 219 HD1 TYR 28 HD1 TYR 28 3.746 2.697 5.991 220 HD2 TYR 28 HD2 TYR 28 1.786 0.471 9.052 221 HE1 TYR 28 HE1 TYR 28 2.860 4.785 6.932 222 HE2 TYR 28 HE2 TYR 28 0.892 2.558 9.996 223 HH TYR 28 HH TYR 28 1.382 4.913 10.017 224 H ASN 29 H ASN 29 7.141 -1.028 6.624 225 HA ASN 29 HA ASN 29 8.167 -3.049 6.410 226 HB2 ASN 29 2HB ASN 29 7.032 -3.238 8.740 227 HB3 ASN 29 3HB ASN 29 5.909 -4.331 7.943 228 HD21 ASN 29 1HD2 ASN 29 7.736 -4.903 10.074 229 HD22 ASN 29 2HD2 ASN 29 8.804 -6.133 9.505 230 H LEU 30 H LEU 30 5.617 -2.287 4.698 231 HA LEU 30 HA LEU 30 4.936 -4.892 3.597 232 HB2 LEU 30 2HB LEU 30 4.098 -2.114 2.741 233 HB3 LEU 30 3HB LEU 30 3.476 -3.609 2.066 234 HG LEU 30 HG LEU 30 3.123 -2.701 4.932 235 HD11 LEU 30 1HD1 LEU 30 0.774 -2.418 4.319 236 HD12 LEU 30 2HD1 LEU 30 1.151 -2.846 2.650 237 HD13 LEU 30 3HD1 LEU 30 1.818 -1.373 3.355 238 HD21 LEU 30 3HD2 LEU 30 1.596 -4.607 5.129 239 HD22 LEU 30 1HD2 LEU 30 3.237 -5.136 4.762 240 HD23 LEU 30 2HD2 LEU 30 2.012 -5.115 3.492 241 H GLY 31 H GLY 31 7.584 -3.039 3.257 242 HA2 GLY 31 2HA GLY 31 7.981 -2.609 0.533 243 HA3 GLY 31 3HA GLY 31 9.264 -2.902 1.693 244 H CYS 32 H CYS 32 8.072 -5.626 2.269 245 HA CYS 32 HA CYS 32 9.685 -7.050 0.389 246 HB2 CYS 32 2HB CYS 32 7.816 -8.100 2.523 247 HB3 CYS 32 3HB CYS 32 9.008 -9.056 1.648 248 HG CYS 32 HG CYS 32 10.846 -6.762 2.758 249 H ILE 33 H ILE 33 6.630 -5.863 -0.037 250 HA ILE 33 HA ILE 33 5.142 -7.924 -1.178 251 HB ILE 33 HB ILE 33 4.085 -6.173 -2.635 252 HG12 ILE 33 2HG1 ILE 33 6.067 -4.346 -1.241 253 HG13 ILE 33 3HG1 ILE 33 6.066 -4.747 -2.955 254 HG21 ILE 33 1HG2 ILE 33 4.323 -5.513 0.299 255 HG22 ILE 33 2HG2 ILE 33 3.209 -6.671 -0.425 256 HG23 ILE 33 3HG2 ILE 33 3.047 -4.952 -0.780 257 HD11 ILE 33 3HD1 ILE 33 3.944 -3.204 -1.479 258 HD12 ILE 33 1HD1 ILE 33 3.882 -3.652 -3.186 259 HD13 ILE 33 2HD1 ILE 33 5.135 -2.557 -2.606 260 H GLY 34 H GLY 34 7.871 -6.167 -2.517 261 HA2 GLY 34 2HA GLY 34 7.610 -6.995 -5.214 262 HA3 GLY 34 3HA GLY 34 9.101 -6.487 -4.435 263 H CYS 35 H CYS 35 9.549 -8.362 -2.550 264 HA CYS 35 HA CYS 35 10.679 -10.490 -3.999 265 HB2 CYS 35 2HB CYS 35 11.575 -9.733 -1.847 266 HB3 CYS 35 3HB CYS 35 10.125 -10.303 -1.030 267 HG CYS 35 HG CYS 35 10.967 -12.679 -0.589 268 H MET 36 H MET 36 7.595 -10.266 -2.306 269 HA MET 36 HA MET 36 7.036 -13.098 -2.824 270 HB2 MET 36 2HB MET 36 5.013 -12.775 -1.490 271 HB3 MET 36 3HB MET 36 6.432 -12.215 -0.619 272 HG2 MET 36 2HG MET 36 5.880 -9.907 -1.184 273 HG3 MET 36 3HG MET 36 4.467 -10.460 -2.080 274 HE1 MET 36 3HE MET 36 2.328 -11.581 -0.938 275 HE2 MET 36 1HE MET 36 2.230 -11.951 0.784 276 HE3 MET 36 2HE MET 36 3.381 -12.812 -0.238 277 H GLY 37 H GLY 37 6.841 -10.374 -4.618 278 HA2 GLY 37 2HA GLY 37 5.812 -9.907 -6.618 279 HA3 GLY 37 3HA GLY 37 5.210 -11.555 -6.607 280 H ALA 38 H ALA 38 4.381 -9.451 -3.962 281 HA ALA 38 HA ALA 38 1.587 -9.846 -4.462 282 HB1 ALA 38 3HB ALA 38 2.498 -9.835 -2.197 283 HB2 ALA 38 1HB ALA 38 1.236 -8.617 -2.387 284 HB3 ALA 38 2HB ALA 38 2.934 -8.136 -2.376 285 H GLN 39 H GLN 39 3.285 -8.023 -6.305 286 HA GLN 39 HA GLN 39 2.368 -5.376 -6.112 287 HB2 GLN 39 2HB GLN 39 3.197 -6.998 -8.530 288 HB3 GLN 39 3HB GLN 39 2.901 -5.267 -8.574 289 HG2 GLN 39 2HG GLN 39 4.983 -6.604 -6.848 290 HG3 GLN 39 3HG GLN 39 5.297 -5.871 -8.420 291 HE21 GLN 39 1HE2 GLN 39 4.549 -5.268 -5.087 292 HE22 GLN 39 2HE2 GLN 39 4.874 -3.576 -5.113 293 H ASN 40 H ASN 40 0.848 -8.247 -7.414 294 HA ASN 40 HA ASN 40 -1.273 -6.719 -8.732 295 HB2 ASN 40 2HB ASN 40 -0.950 -9.726 -8.590 296 HB3 ASN 40 3HB ASN 40 -1.942 -8.809 -9.723 297 HD21 ASN 40 1HD2 ASN 40 1.266 -9.818 -8.893 298 HD22 ASN 40 2HD2 ASN 40 2.014 -9.337 -10.376 299 H GLU 41 H GLU 41 -0.820 -7.397 -5.644 300 HA GLU 41 HA GLU 41 -3.526 -8.428 -5.117 301 HB2 GLU 41 2HB GLU 41 -1.607 -9.664 -4.133 302 HB3 GLU 41 3HB GLU 41 -1.178 -8.226 -3.218 303 HG2 GLU 41 2HG GLU 41 -3.139 -8.356 -1.905 304 HG3 GLU 41 3HG GLU 41 -3.864 -9.553 -2.977 305 H SER 42 H SER 42 -4.968 -7.325 -3.823 306 HA SER 42 HA SER 42 -4.846 -4.499 -3.859 307 HB2 SER 42 2HB SER 42 -6.710 -6.288 -2.275 308 HB3 SER 42 3HB SER 42 -6.953 -4.569 -2.581 309 HG SER 42 HG SER 42 -7.552 -4.992 -4.577 310 H LEU 43 H LEU 43 -4.802 -2.994 -2.141 311 HA LEU 43 HA LEU 43 -2.652 -3.219 -0.433 312 HB2 LEU 43 2HB LEU 43 -5.080 -1.448 -0.151 313 HB3 LEU 43 3HB LEU 43 -3.594 -1.238 0.758 314 HG LEU 43 HG LEU 43 -3.847 -1.038 -2.253 315 HD11 LEU 43 1HD1 LEU 43 -4.925 0.827 -1.090 316 HD12 LEU 43 2HD1 LEU 43 -3.475 1.342 -1.948 317 HD13 LEU 43 3HD1 LEU 43 -3.436 1.132 -0.197 318 HD21 LEU 43 3HD2 LEU 43 -1.542 -0.162 -2.146 319 HD22 LEU 43 1HD2 LEU 43 -1.652 -1.844 -1.627 320 HD23 LEU 43 2HD2 LEU 43 -1.488 -0.560 -0.428 321 H GLU 44 H GLU 44 -6.095 -3.688 0.498 322 HA GLU 44 HA GLU 44 -5.583 -4.038 3.243 323 HB2 GLU 44 2HB GLU 44 -7.828 -3.561 2.390 324 HB3 GLU 44 3HB GLU 44 -7.890 -5.142 1.625 325 HG2 GLU 44 2HG GLU 44 -7.933 -6.257 3.732 326 HG3 GLU 44 3HG GLU 44 -7.554 -4.770 4.596 327 H GLN 45 H GLN 45 -5.665 -6.406 0.614 328 HA GLN 45 HA GLN 45 -5.556 -8.727 2.218 329 HB2 GLN 45 2HB GLN 45 -4.592 -8.272 -0.613 330 HB3 GLN 45 3HB GLN 45 -4.689 -9.849 0.155 331 HG2 GLN 45 2HG GLN 45 -7.131 -9.530 0.427 332 HG3 GLN 45 3HG GLN 45 -6.993 -7.998 -0.432 333 HE21 GLN 45 1HE2 GLN 45 -6.671 -8.014 -2.654 334 HE22 GLN 45 2HE2 GLN 45 -6.853 -9.439 -3.609 335 H GLY 46 H GLY 46 -2.900 -7.012 0.520 336 HA2 GLY 46 2HA GLY 46 -0.772 -8.525 1.581 337 HA3 GLY 46 3HA GLY 46 -0.642 -6.884 0.972 338 H ALA 47 H ALA 47 -2.355 -5.601 2.831 339 HA ALA 47 HA ALA 47 -0.694 -5.123 5.035 340 HB1 ALA 47 3HB ALA 47 -2.416 -3.546 4.291 341 HB2 ALA 47 1HB ALA 47 -2.600 -3.923 6.004 342 HB3 ALA 47 2HB ALA 47 -3.675 -4.663 4.818 343 H ASN 48 H ASN 48 -3.659 -7.096 4.819 344 HA ASN 48 HA ASN 48 -3.643 -8.060 7.467 345 HB2 ASN 48 2HB ASN 48 -4.817 -9.171 4.915 346 HB3 ASN 48 3HB ASN 48 -5.017 -9.980 6.466 347 HD21 ASN 48 1HD2 ASN 48 -4.934 -6.494 6.158 348 HD22 ASN 48 2HD2 ASN 48 -6.596 -6.245 6.535 349 H ALA 49 H ALA 49 -2.058 -9.252 4.541 350 HA ALA 49 HA ALA 49 -1.094 -11.699 5.483 351 HB1 ALA 49 3HB ALA 49 0.234 -9.813 3.529 352 HB2 ALA 49 1HB ALA 49 -0.980 -11.030 3.133 353 HB3 ALA 49 2HB ALA 49 0.605 -11.526 3.728 354 H HIS 50 H HIS 50 0.110 -8.429 6.035 355 HA HIS 50 HA HIS 50 2.327 -9.490 7.663 356 HB2 HIS 50 2HB HIS 50 1.725 -6.710 6.635 357 HB3 HIS 50 3HB HIS 50 3.001 -7.039 7.804 358 HD1 HIS 50 HD1 HIS 50 5.226 -7.388 6.775 359 HD2 HIS 50 HD2 HIS 50 2.153 -8.403 4.167 360 HE1 HIS 50 HE1 HIS 50 6.351 -8.023 4.630 361 HE2 HIS 50 HE2 HIS 50 4.492 -8.832 3.149 362 H GLY 51 H GLY 51 -0.794 -8.982 8.212 363 HA2 GLY 51 2HA GLY 51 -2.038 -8.767 10.129 364 HA3 GLY 51 3HA GLY 51 -0.535 -8.843 11.032 365 H LEU 52 H LEU 52 -1.593 -6.430 8.650 366 HA LEU 52 HA LEU 52 -1.489 -4.376 10.778 367 HB2 LEU 52 2HB LEU 52 -0.616 -4.096 7.893 368 HB3 LEU 52 3HB LEU 52 -0.653 -2.793 9.068 369 HG LEU 52 HG LEU 52 1.094 -5.257 9.261 370 HD11 LEU 52 1HD1 LEU 52 2.947 -3.752 8.748 371 HD12 LEU 52 2HD1 LEU 52 1.812 -2.422 8.510 372 HD13 LEU 52 3HD1 LEU 52 1.784 -3.814 7.425 373 HD21 LEU 52 3HD2 LEU 52 0.993 -2.760 10.962 374 HD22 LEU 52 1HD2 LEU 52 2.211 -4.030 11.081 375 HD23 LEU 52 2HD2 LEU 52 0.527 -4.388 11.455 376 H ASN 53 H ASN 53 -2.990 -2.674 10.663 377 HA ASN 53 HA ASN 53 -5.428 -3.256 9.222 378 HB2 ASN 53 2HB ASN 53 -5.562 -2.404 11.511 379 HB3 ASN 53 3HB ASN 53 -4.719 -0.931 11.032 380 HD21 ASN 53 1HD2 ASN 53 -6.507 0.315 11.729 381 HD22 ASN 53 2HD2 ASN 53 -7.961 0.401 10.796 382 H VAL 54 H VAL 54 -5.745 -2.673 7.200 383 HA VAL 54 HA VAL 54 -4.031 -1.087 5.677 384 HB VAL 54 HB VAL 54 -5.588 -2.769 4.735 385 HG11 VAL 54 1HG1 VAL 54 -7.583 -2.264 6.025 386 HG12 VAL 54 2HG1 VAL 54 -7.936 -2.152 4.301 387 HG13 VAL 54 3HG1 VAL 54 -7.713 -0.684 5.253 388 HG21 VAL 54 3HG2 VAL 54 -4.533 -1.119 3.264 389 HG22 VAL 54 1HG2 VAL 54 -5.881 -0.012 3.525 390 HG23 VAL 54 2HG2 VAL 54 -6.145 -1.541 2.686 391 H GLU 55 H GLU 55 -6.790 -0.140 7.615 392 HA GLU 55 HA GLU 55 -7.477 2.282 6.380 393 HB2 GLU 55 2HB GLU 55 -7.628 1.644 9.334 394 HB3 GLU 55 3HB GLU 55 -8.541 2.886 8.488 395 HG2 GLU 55 2HG GLU 55 -9.650 1.125 7.162 396 HG3 GLU 55 3HG GLU 55 -8.780 -0.094 8.091 397 H ASP 56 H ASP 56 -5.044 1.647 8.903 398 HA ASP 56 HA ASP 56 -4.379 4.396 9.289 399 HB2 ASP 56 2HB ASP 56 -3.940 2.560 10.955 400 HB3 ASP 56 3HB ASP 56 -2.640 1.993 9.907 401 H ILE 57 H ILE 57 -3.217 1.861 7.162 402 HA ILE 57 HA ILE 57 -0.968 3.252 6.111 403 HB ILE 57 HB ILE 57 -2.647 1.128 4.748 404 HG12 ILE 57 2HG1 ILE 57 -0.167 0.780 6.463 405 HG13 ILE 57 3HG1 ILE 57 -1.810 0.439 6.998 406 HG21 ILE 57 1HG2 ILE 57 -1.151 2.322 3.219 407 HG22 ILE 57 2HG2 ILE 57 -0.622 0.656 3.452 408 HG23 ILE 57 3HG2 ILE 57 0.219 1.971 4.275 409 HD11 ILE 57 3HD1 ILE 57 -2.009 -1.310 5.335 410 HD12 ILE 57 1HD1 ILE 57 -0.596 -1.581 6.355 411 HD13 ILE 57 2HD1 ILE 57 -0.398 -0.939 4.724 412 H LEU 58 H LEU 58 -4.314 2.858 4.920 413 HA LEU 58 HA LEU 58 -4.152 4.402 2.615 414 HB2 LEU 58 2HB LEU 58 -6.502 4.067 4.492 415 HB3 LEU 58 3HB LEU 58 -6.607 4.755 2.881 416 HG LEU 58 HG LEU 58 -5.811 1.911 3.543 417 HD11 LEU 58 1HD1 LEU 58 -8.311 3.005 2.255 418 HD12 LEU 58 2HD1 LEU 58 -8.188 2.335 3.883 419 HD13 LEU 58 3HD1 LEU 58 -7.922 1.299 2.481 420 HD21 LEU 58 3HD2 LEU 58 -5.846 1.533 1.125 421 HD22 LEU 58 1HD2 LEU 58 -4.628 2.730 1.561 422 HD23 LEU 58 2HD2 LEU 58 -6.158 3.247 0.851 423 H ARG 59 H ARG 59 -4.809 5.444 5.946 424 HA ARG 59 HA ARG 59 -5.266 8.150 5.592 425 HB2 ARG 59 2HB ARG 59 -5.406 7.210 7.792 426 HB3 ARG 59 3HB ARG 59 -3.729 6.681 7.741 427 HG2 ARG 59 2HG ARG 59 -3.123 9.162 7.605 428 HG3 ARG 59 3HG ARG 59 -4.795 9.477 8.068 429 HD2 ARG 59 2HD ARG 59 -3.161 9.457 9.973 430 HD3 ARG 59 3HD ARG 59 -4.510 8.333 10.150 431 HE ARG 59 HE ARG 59 -3.011 6.618 10.155 432 HH11 ARG 59 1HH1 ARG 59 -1.412 9.372 8.812 433 HH12 ARG 59 2HH1 ARG 59 0.077 8.523 8.592 434 HH21 ARG 59 1HH2 ARG 59 -1.107 5.574 9.891 435 HH22 ARG 59 2HH2 ARG 59 0.243 6.388 9.177 436 H ASP 60 H ASP 60 -2.102 6.546 5.962 437 HA ASP 60 HA ASP 60 -0.597 8.943 5.673 438 HB2 ASP 60 2HB ASP 60 -0.042 6.519 6.701 439 HB3 ASP 60 3HB ASP 60 0.688 6.310 5.113 440 H LEU 61 H LEU 61 -1.695 6.467 3.425 441 HA LEU 61 HA LEU 61 -0.121 7.262 1.191 442 HB2 LEU 61 2HB LEU 61 -2.771 5.812 1.301 443 HB3 LEU 61 3HB LEU 61 -1.798 5.993 -0.147 444 HG LEU 61 HG LEU 61 -0.999 4.478 2.348 445 HD11 LEU 61 1HD1 LEU 61 -2.708 3.331 1.028 446 HD12 LEU 61 2HD1 LEU 61 -1.159 2.496 0.932 447 HD13 LEU 61 3HD1 LEU 61 -1.710 3.492 -0.417 448 HD21 LEU 61 3HD2 LEU 61 0.963 3.779 1.051 449 HD22 LEU 61 1HD2 LEU 61 0.937 5.524 1.303 450 HD23 LEU 61 2HD2 LEU 61 0.476 4.852 -0.262 451 H ASN 62 H ASN 62 -3.548 7.955 1.999 452 HA ASN 62 HA ASN 62 -3.966 9.705 -0.186 453 HB2 ASN 62 2HB ASN 62 -5.450 9.345 2.418 454 HB3 ASN 62 3HB ASN 62 -5.947 10.532 1.217 455 HD21 ASN 62 1HD2 ASN 62 -5.815 7.183 2.021 456 HD22 ASN 62 2HD2 ASN 62 -6.746 6.613 0.686 457 H ALA 63 H ALA 63 -2.536 10.208 2.956 458 HA ALA 63 HA ALA 63 -2.599 12.995 3.122 459 HB1 ALA 63 3HB ALA 63 -0.325 11.182 3.941 460 HB2 ALA 63 1HB ALA 63 -1.759 11.524 4.909 461 HB3 ALA 63 2HB ALA 63 -0.623 12.819 4.526 462 H LEU 64 H LEU 64 -0.657 10.906 1.073 463 HA LEU 64 HA LEU 64 1.177 12.878 0.137 464 HB2 LEU 64 2HB LEU 64 0.222 10.336 -1.194 465 HB3 LEU 64 3HB LEU 64 1.606 11.286 -1.706 466 HG LEU 64 HG LEU 64 1.373 9.871 0.962 467 HD11 LEU 64 1HD1 LEU 64 3.009 8.293 0.047 468 HD12 LEU 64 2HD1 LEU 64 2.920 9.103 -1.517 469 HD13 LEU 64 3HD1 LEU 64 1.505 8.273 -0.873 470 HD21 LEU 64 3HD2 LEU 64 3.721 11.253 -0.349 471 HD22 LEU 64 1HD2 LEU 64 3.757 10.366 1.177 472 HD23 LEU 64 2HD2 LEU 64 2.812 11.849 1.041 473 H ALA 65 H ALA 65 -2.132 12.283 -0.524 474 HA ALA 65 HA ALA 65 -2.091 13.744 -3.068 475 HB1 ALA 65 3HB ALA 65 -4.387 12.359 -1.673 476 HB2 ALA 65 1HB ALA 65 -3.392 11.664 -2.953 477 HB3 ALA 65 2HB ALA 65 -4.420 13.056 -3.293 478 H LEU 66 H LEU 66 -3.678 13.902 0.118 479 HA LEU 66 HA LEU 66 -4.972 16.388 -0.275 480 HB2 LEU 66 2HB LEU 66 -4.099 15.087 2.313 481 HB3 LEU 66 3HB LEU 66 -5.273 16.382 2.162 482 HG LEU 66 HG LEU 66 -5.601 13.584 1.055 483 HD11 LEU 66 1HD1 LEU 66 -7.284 13.294 2.795 484 HD12 LEU 66 2HD1 LEU 66 -6.929 14.902 3.425 485 HD13 LEU 66 3HD1 LEU 66 -5.702 13.636 3.497 486 HD21 LEU 66 3HD2 LEU 66 -6.750 15.233 -0.316 487 HD22 LEU 66 1HD2 LEU 66 -7.528 15.914 1.116 488 HD23 LEU 66 2HD2 LEU 66 -7.916 14.275 0.593 489 H GLU 67 H GLU 67 -1.926 15.564 1.374 490 HA GLU 67 HA GLU 67 -0.024 16.718 1.780 491 HB2 GLU 67 2HB GLU 67 -0.974 18.399 -0.546 492 HB3 GLU 67 3HB GLU 67 0.663 18.391 0.101 493 HG2 GLU 67 2HG GLU 67 0.834 15.987 -0.469 494 HG3 GLU 67 3HG GLU 67 -0.766 16.076 -1.202 495 H HIS 68 H HIS 68 -2.663 17.795 3.005 496 HA HIS 68 HA HIS 68 -1.976 20.581 3.486 497 HB2 HIS 68 2HB HIS 68 -4.143 18.866 4.737 498 HB3 HIS 68 3HB HIS 68 -3.957 20.601 4.972 499 HD1 HIS 68 HD1 HIS 68 -4.208 22.064 2.689 500 HD2 HIS 68 HD2 HIS 68 -5.685 18.178 2.605 501 HE1 HIS 68 HE1 HIS 68 -5.747 21.971 0.709 502 HE2 HIS 68 HE2 HIS 68 -6.594 19.602 0.645 503 H HIS 69 H HIS 69 -0.969 17.639 4.680 504 HA HIS 69 HA HIS 69 0.619 17.104 6.196 505 HB2 HIS 69 2HB HIS 69 1.481 19.434 5.530 506 HB3 HIS 69 3HB HIS 69 0.791 19.994 7.048 507 HD1 HIS 69 HD1 HIS 69 3.760 18.447 5.620 508 HD2 HIS 69 HD2 HIS 69 2.023 18.722 9.382 509 HE1 HIS 69 HE1 HIS 69 5.555 17.771 7.235 510 HE2 HIS 69 HE2 HIS 69 4.525 18.081 9.508 511 H HIS 70 H HIS 70 -0.993 19.795 7.877 512 HA HIS 70 HA HIS 70 -2.017 20.052 9.836 513 HB2 HIS 70 2HB HIS 70 -3.761 18.610 10.475 514 HB3 HIS 70 3HB HIS 70 -3.671 18.520 8.728 515 HD1 HIS 70 HD1 HIS 70 -2.825 16.486 11.805 516 HD2 HIS 70 HD2 HIS 70 -3.427 15.971 7.724 517 HE1 HIS 70 HE1 HIS 70 -2.855 14.005 11.437 518 HE2 HIS 70 HE2 HIS 70 -3.429 13.726 9.007 519 H HIS 71 H HIS 71 -0.525 16.779 10.071 520 HA HIS 71 HA HIS 71 -0.013 17.054 12.859 521 HB2 HIS 71 2HB HIS 71 -0.260 14.860 11.750 522 HB3 HIS 71 3HB HIS 71 1.213 15.156 10.835 523 HD1 HIS 71 HD1 HIS 71 -0.012 13.821 14.031 524 HD2 HIS 71 HD2 HIS 71 3.606 15.162 12.483 525 HE1 HIS 71 HE1 HIS 71 1.759 12.940 15.580 526 HE2 HIS 71 HE2 HIS 71 3.927 13.809 14.663 527 H HIS 72 H HIS 72 1.194 18.898 13.314 528 HA HIS 72 HA HIS 72 3.939 18.921 12.216 529 HB2 HIS 72 2HB HIS 72 3.867 21.458 12.607 530 HB3 HIS 72 3HB HIS 72 2.987 20.817 11.227 531 HD1 HIS 72 HD1 HIS 72 2.339 22.110 14.733 532 HD2 HIS 72 HD2 HIS 72 0.347 21.466 11.148 533 HE1 HIS 72 HE1 HIS 72 0.068 23.135 15.030 534 HE2 HIS 72 HE2 HIS 72 -1.184 22.532 12.934 535 H HIS 73 H HIS 73 4.307 17.523 14.079 536 HA HIS 73 HA HIS 73 5.507 19.124 16.196 537 HB2 HIS 73 2HB HIS 73 3.492 16.936 16.747 538 HB3 HIS 73 3HB HIS 73 4.717 17.375 17.927 539 HD1 HIS 73 HD1 HIS 73 4.560 19.830 18.920 540 HD2 HIS 73 HD2 HIS 73 1.300 18.595 16.657 541 HE1 HIS 73 HE1 HIS 73 2.709 21.433 19.472 542 HE2 HIS 73 HE2 HIS 73 0.795 20.748 17.991 Start of MODEL 19 1 H1 MET 1 1H MET 1 -18.731 8.167 -2.894 2 H2 MET 1 2H MET 1 -19.333 9.572 -2.170 3 H3 MET 1 3H MET 1 -18.600 8.381 -1.222 4 HA MET 1 HA MET 1 -17.237 9.978 -3.313 5 HB2 MET 1 2HB MET 1 -17.871 11.313 -1.307 6 HB3 MET 1 3HB MET 1 -17.007 10.166 -0.293 7 HG2 MET 1 2HG MET 1 -14.914 10.748 -1.464 8 HG3 MET 1 3HG MET 1 -15.801 11.942 -2.409 9 HE1 MET 1 3HE MET 1 -14.312 10.968 1.045 10 HE2 MET 1 1HE MET 1 -16.025 10.983 1.457 11 HE3 MET 1 2HE MET 1 -14.949 12.213 2.119 12 H THR 2 H THR 2 -15.121 9.393 -3.739 13 HA THR 2 HA THR 2 -14.106 6.993 -2.320 14 HB THR 2 HB THR 2 -14.700 6.363 -4.578 15 HG1 THR 2 HG1 THR 2 -12.138 6.291 -5.231 16 HG21 THR 2 3HG2 THR 2 -12.874 8.601 -5.481 17 HG22 THR 2 1HG2 THR 2 -14.630 8.555 -5.656 18 HG23 THR 2 2HG2 THR 2 -13.624 7.405 -6.537 19 H GLN 3 H GLN 3 -11.885 6.819 -1.944 20 HA GLN 3 HA GLN 3 -10.442 9.360 -1.805 21 HB2 GLN 3 2HB GLN 3 -9.690 6.622 -0.738 22 HB3 GLN 3 3HB GLN 3 -8.849 8.129 -0.394 23 HG2 GLN 3 2HG GLN 3 -10.792 8.976 0.786 24 HG3 GLN 3 3HG GLN 3 -11.701 7.521 0.379 25 HE21 GLN 3 1HE2 GLN 3 -9.388 5.767 0.819 26 HE22 GLN 3 2HE2 GLN 3 -9.197 5.672 2.530 27 H LYS 4 H LYS 4 -8.122 9.412 -2.443 28 HA LYS 4 HA LYS 4 -7.695 8.413 -5.070 29 HB2 LYS 4 2HB LYS 4 -5.837 9.718 -3.077 30 HB3 LYS 4 3HB LYS 4 -5.303 9.214 -4.677 31 HG2 LYS 4 2HG LYS 4 -7.454 11.242 -4.061 32 HG3 LYS 4 3HG LYS 4 -5.833 11.577 -4.678 33 HD2 LYS 4 2HD LYS 4 -8.006 10.020 -6.103 34 HD3 LYS 4 3HD LYS 4 -7.479 11.660 -6.485 35 HE2 LYS 4 2HE LYS 4 -5.289 10.852 -7.121 36 HE3 LYS 4 3HE LYS 4 -5.711 9.216 -6.611 37 HZ1 LYS 4 3HZ LYS 4 -6.983 10.717 -8.834 38 HZ2 LYS 4 1HZ LYS 4 -7.396 9.153 -8.339 39 HZ3 LYS 4 2HZ LYS 4 -5.871 9.454 -8.996 40 H PHE 5 H PHE 5 -6.716 7.294 -1.892 41 HA PHE 5 HA PHE 5 -5.705 4.819 -3.153 42 HB2 PHE 5 2HB PHE 5 -4.788 6.090 -0.555 43 HB3 PHE 5 3HB PHE 5 -4.238 4.534 -1.171 44 HD1 PHE 5 HD1 PHE 5 -2.829 4.419 -3.185 45 HD2 PHE 5 HD2 PHE 5 -3.958 8.155 -1.469 46 HE1 PHE 5 HE1 PHE 5 -1.076 5.547 -4.488 47 HE2 PHE 5 HE2 PHE 5 -2.204 9.284 -2.771 48 HZ PHE 5 HZ PHE 5 -0.761 7.980 -4.285 49 H THR 6 H THR 6 -6.929 3.102 -2.780 50 HA THR 6 HA THR 6 -8.678 3.066 -0.389 51 HB THR 6 HB THR 6 -10.097 3.399 -2.299 52 HG1 THR 6 HG1 THR 6 -11.401 1.577 -2.073 53 HG21 THR 6 3HG2 THR 6 -10.127 1.848 -4.210 54 HG22 THR 6 1HG2 THR 6 -8.744 0.989 -3.530 55 HG23 THR 6 2HG2 THR 6 -8.569 2.662 -4.062 56 H LYS 7 H LYS 7 -9.509 0.808 0.085 57 HA LYS 7 HA LYS 7 -7.274 -0.924 0.550 58 HB2 LYS 7 2HB LYS 7 -8.981 -2.406 1.601 59 HB3 LYS 7 3HB LYS 7 -9.004 -0.761 2.217 60 HG2 LYS 7 2HG LYS 7 -10.986 -0.238 0.998 61 HG3 LYS 7 3HG LYS 7 -10.893 -1.744 0.081 62 HD2 LYS 7 2HD LYS 7 -12.600 -1.837 1.861 63 HD3 LYS 7 3HD LYS 7 -11.327 -3.036 2.090 64 HE2 LYS 7 2HE LYS 7 -10.233 -1.448 3.694 65 HE3 LYS 7 3HE LYS 7 -11.655 -0.415 3.552 66 HZ1 LYS 7 3HZ LYS 7 -13.011 -2.248 4.373 67 HZ2 LYS 7 1HZ LYS 7 -11.806 -1.836 5.488 68 HZ3 LYS 7 2HZ LYS 7 -11.632 -3.218 4.528 69 H ASP 8 H ASP 8 -9.510 -0.617 -1.999 70 HA ASP 8 HA ASP 8 -9.571 -3.391 -2.791 71 HB2 ASP 8 2HB ASP 8 -11.509 -1.977 -3.155 72 HB3 ASP 8 3HB ASP 8 -10.559 -0.871 -4.141 73 H MET 9 H MET 9 -7.795 -0.514 -3.807 74 HA MET 9 HA MET 9 -6.861 -1.541 -6.281 75 HB2 MET 9 2HB MET 9 -5.336 0.378 -6.283 76 HB3 MET 9 3HB MET 9 -6.966 0.856 -5.826 77 HG2 MET 9 2HG MET 9 -6.192 0.686 -3.418 78 HG3 MET 9 3HG MET 9 -4.553 0.568 -4.056 79 HE1 MET 9 3HE MET 9 -4.817 2.506 -6.627 80 HE2 MET 9 1HE MET 9 -3.423 2.517 -5.549 81 HE3 MET 9 2HE MET 9 -4.245 4.027 -5.943 82 H THR 10 H THR 10 -4.727 -2.197 -6.876 83 HA THR 10 HA THR 10 -3.509 -3.931 -4.887 84 HB THR 10 HB THR 10 -2.210 -4.873 -6.701 85 HG1 THR 10 HG1 THR 10 -2.620 -3.948 -8.873 86 HG21 THR 10 3HG2 THR 10 -5.050 -4.368 -7.610 87 HG22 THR 10 1HG2 THR 10 -4.546 -5.627 -6.480 88 HG23 THR 10 2HG2 THR 10 -3.998 -5.674 -8.157 89 H PHE 11 H PHE 11 -1.155 -4.071 -4.621 90 HA PHE 11 HA PHE 11 0.058 -1.664 -3.893 91 HB2 PHE 11 2HB PHE 11 1.287 -4.355 -4.525 92 HB3 PHE 11 3HB PHE 11 2.202 -3.009 -3.857 93 HD1 PHE 11 HD2 PHE 11 1.798 -2.237 -1.573 94 HD2 PHE 11 HD1 PHE 11 -0.262 -5.615 -3.164 95 HE1 PHE 11 HE2 PHE 11 1.137 -2.902 0.700 96 HE2 PHE 11 HE1 PHE 11 -0.925 -6.280 -0.890 97 HZ PHE 11 HZ PHE 11 -0.227 -4.926 1.044 98 H ALA 12 H ALA 12 0.430 -3.538 -6.905 99 HA ALA 12 HA ALA 12 2.465 -2.032 -8.092 100 HB1 ALA 12 3HB ALA 12 1.711 -4.181 -8.979 101 HB2 ALA 12 1HB ALA 12 1.678 -2.936 -10.228 102 HB3 ALA 12 2HB ALA 12 0.178 -3.454 -9.458 103 H GLN 13 H GLN 13 -1.074 -1.616 -8.332 104 HA GLN 13 HA GLN 13 -1.099 0.642 -9.992 105 HB2 GLN 13 2HB GLN 13 -3.038 -0.112 -7.788 106 HB3 GLN 13 3HB GLN 13 -3.344 1.100 -9.026 107 HG2 GLN 13 2HG GLN 13 -3.241 -0.599 -10.758 108 HG3 GLN 13 3HG GLN 13 -2.840 -1.824 -9.557 109 HE21 GLN 13 1HE2 GLN 13 -5.196 0.718 -9.037 110 HE22 GLN 13 2HE2 GLN 13 -6.575 -0.319 -9.000 111 H ALA 14 H ALA 14 -1.142 0.484 -6.419 112 HA ALA 14 HA ALA 14 -1.165 3.218 -5.884 113 HB1 ALA 14 3HB ALA 14 -1.546 1.506 -4.178 114 HB2 ALA 14 1HB ALA 14 -0.299 2.646 -3.671 115 HB3 ALA 14 2HB ALA 14 0.155 1.042 -4.251 116 H LEU 15 H LEU 15 1.651 1.067 -6.279 117 HA LEU 15 HA LEU 15 3.676 2.916 -5.766 118 HB2 LEU 15 2HB LEU 15 3.653 0.510 -7.591 119 HB3 LEU 15 3HB LEU 15 5.105 1.418 -7.211 120 HG LEU 15 HG LEU 15 3.395 -0.036 -5.180 121 HD11 LEU 15 1HD1 LEU 15 4.555 -1.583 -6.686 122 HD12 LEU 15 2HD1 LEU 15 5.224 -1.639 -5.056 123 HD13 LEU 15 3HD1 LEU 15 6.085 -0.780 -6.333 124 HD21 LEU 15 3HD2 LEU 15 4.524 1.904 -4.227 125 HD22 LEU 15 1HD2 LEU 15 6.064 1.356 -4.898 126 HD23 LEU 15 2HD2 LEU 15 5.258 0.410 -3.646 127 H GLN 16 H GLN 16 1.860 2.355 -8.736 128 HA GLN 16 HA GLN 16 3.539 4.249 -10.210 129 HB2 GLN 16 2HB GLN 16 1.207 2.554 -11.133 130 HB3 GLN 16 3HB GLN 16 2.203 3.563 -12.173 131 HG2 GLN 16 2HG GLN 16 3.182 1.202 -10.571 132 HG3 GLN 16 3HG GLN 16 2.839 1.202 -12.300 133 HE21 GLN 16 1HE2 GLN 16 5.018 2.304 -9.816 134 HE22 GLN 16 2HE2 GLN 16 6.300 2.768 -10.875 135 H THR 17 H THR 17 0.832 4.449 -8.246 136 HA THR 17 HA THR 17 -0.537 6.563 -9.669 137 HB THR 17 HB THR 17 -0.825 5.700 -6.771 138 HG1 THR 17 HG1 THR 17 -1.453 4.287 -8.732 139 HG21 THR 17 3HG2 THR 17 -1.615 7.989 -7.064 140 HG22 THR 17 1HG2 THR 17 -2.992 6.902 -6.870 141 HG23 THR 17 2HG2 THR 17 -2.562 7.505 -8.471 142 H HIS 18 H HIS 18 1.437 6.439 -6.689 143 HA HIS 18 HA HIS 18 2.474 9.119 -7.309 144 HB2 HIS 18 2HB HIS 18 0.885 8.370 -4.917 145 HB3 HIS 18 3HB HIS 18 2.341 9.299 -4.589 146 HD1 HIS 18 HD1 HIS 18 -0.075 9.802 -7.498 147 HD2 HIS 18 HD2 HIS 18 1.310 11.758 -4.104 148 HE1 HIS 18 HE1 HIS 18 -1.036 12.110 -7.614 149 HE2 HIS 18 HE2 HIS 18 -0.099 13.308 -5.613 150 HA PRO 19 HA PRO 19 6.368 7.092 -6.551 151 HB2 PRO 19 2HB PRO 19 7.859 9.339 -5.935 152 HB3 PRO 19 3HB PRO 19 7.475 8.808 -7.574 153 HG2 PRO 19 2HG PRO 19 6.127 10.893 -5.897 154 HG3 PRO 19 3HG PRO 19 6.544 10.939 -7.621 155 HD2 PRO 19 2HD PRO 19 4.036 10.440 -6.816 156 HD3 PRO 19 3HD PRO 19 4.731 9.603 -8.223 157 H GLY 20 H GLY 20 5.160 9.442 -4.162 158 HA2 GLY 20 2HA GLY 20 6.935 8.771 -2.061 159 HA3 GLY 20 3HA GLY 20 5.381 9.563 -1.874 160 H VAL 21 H VAL 21 4.208 7.059 -3.280 161 HA VAL 21 HA VAL 21 3.218 5.802 -0.987 162 HB VAL 21 HB VAL 21 3.332 4.745 -3.825 163 HG11 VAL 21 1HG1 VAL 21 2.956 2.903 -2.273 164 HG12 VAL 21 2HG1 VAL 21 1.484 3.258 -3.177 165 HG13 VAL 21 3HG1 VAL 21 1.641 3.795 -1.504 166 HG21 VAL 21 3HG2 VAL 21 1.019 5.555 -3.967 167 HG22 VAL 21 1HG2 VAL 21 2.147 6.866 -3.626 168 HG23 VAL 21 2HG2 VAL 21 1.146 6.205 -2.333 169 H ALA 22 H ALA 22 5.904 4.856 -3.111 170 HA ALA 22 HA ALA 22 6.442 2.313 -2.183 171 HB1 ALA 22 3HB ALA 22 8.735 2.661 -2.952 172 HB2 ALA 22 1HB ALA 22 8.467 4.405 -2.995 173 HB3 ALA 22 2HB ALA 22 7.577 3.349 -4.090 174 H GLY 23 H GLY 23 7.941 5.325 -0.951 175 HA2 GLY 23 2HA GLY 23 9.356 4.182 1.181 176 HA3 GLY 23 3HA GLY 23 8.841 5.860 1.095 177 H VAL 24 H VAL 24 6.032 5.433 1.086 178 HA VAL 24 HA VAL 24 5.474 5.218 3.843 179 HB VAL 24 HB VAL 24 3.559 4.979 1.506 180 HG11 VAL 24 1HG1 VAL 24 2.581 4.070 3.551 181 HG12 VAL 24 2HG1 VAL 24 1.811 5.596 3.114 182 HG13 VAL 24 3HG1 VAL 24 2.994 5.548 4.421 183 HG21 VAL 24 3HG2 VAL 24 4.792 7.092 1.505 184 HG22 VAL 24 1HG2 VAL 24 4.329 7.378 3.184 185 HG23 VAL 24 2HG2 VAL 24 3.099 7.359 1.920 186 H LEU 25 H LEU 25 4.900 2.904 1.181 187 HA LEU 25 HA LEU 25 3.781 0.841 2.699 188 HB2 LEU 25 2HB LEU 25 5.528 0.636 0.240 189 HB3 LEU 25 3HB LEU 25 4.572 -0.679 0.900 190 HG LEU 25 HG LEU 25 3.507 1.892 -0.293 191 HD11 LEU 25 1HD1 LEU 25 2.560 0.409 -2.004 192 HD12 LEU 25 2HD1 LEU 25 3.354 -0.970 -1.243 193 HD13 LEU 25 3HD1 LEU 25 4.321 0.318 -1.958 194 HD21 LEU 25 3HD2 LEU 25 1.996 -0.437 0.908 195 HD22 LEU 25 1HD2 LEU 25 1.275 0.923 0.043 196 HD23 LEU 25 2HD2 LEU 25 2.101 1.192 1.577 197 H ARG 26 H ARG 26 7.206 1.453 1.903 198 HA ARG 26 HA ARG 26 8.283 -0.731 3.325 199 HB2 ARG 26 2HB ARG 26 9.578 1.959 2.822 200 HB3 ARG 26 3HB ARG 26 10.412 0.462 3.220 201 HG2 ARG 26 2HG ARG 26 9.565 -0.517 1.098 202 HG3 ARG 26 3HG ARG 26 8.867 1.054 0.700 203 HD2 ARG 26 2HD ARG 26 10.949 0.924 -0.436 204 HD3 ARG 26 3HD ARG 26 11.182 2.026 0.922 205 HE ARG 26 HE ARG 26 11.937 -0.790 1.227 206 HH11 ARG 26 1HH1 ARG 26 12.892 2.505 0.953 207 HH12 ARG 26 2HH1 ARG 26 14.507 2.189 1.469 208 HH21 ARG 26 1HH2 ARG 26 13.991 -1.192 1.847 209 HH22 ARG 26 2HH2 ARG 26 15.136 0.100 1.954 210 H SER 27 H SER 27 7.315 2.491 4.381 211 HA SER 27 HA SER 27 8.381 2.440 6.990 212 HB2 SER 27 2HB SER 27 7.487 4.504 6.073 213 HB3 SER 27 3HB SER 27 5.876 3.799 5.950 214 HG SER 27 HG SER 27 5.736 4.826 7.823 215 H TYR 28 H TYR 28 5.478 0.981 5.649 216 HA TYR 28 HA TYR 28 4.693 -0.064 8.278 217 HB2 TYR 28 2HB TYR 28 3.349 -0.154 5.572 218 HB3 TYR 28 3HB TYR 28 2.731 -1.010 6.980 219 HD1 TYR 28 HD1 TYR 28 2.175 0.388 9.067 220 HD2 TYR 28 HD2 TYR 28 2.751 2.106 5.205 221 HE1 TYR 28 HE1 TYR 28 0.934 2.390 9.775 222 HE2 TYR 28 HE2 TYR 28 1.518 4.113 5.913 223 HH TYR 28 HH TYR 28 -0.313 4.608 7.718 224 H ASN 29 H ASN 29 7.069 -0.948 6.462 225 HA ASN 29 HA ASN 29 8.232 -2.857 6.066 226 HB2 ASN 29 2HB ASN 29 7.610 -3.273 8.463 227 HB3 ASN 29 3HB ASN 29 6.225 -4.200 7.899 228 HD21 ASN 29 1HD2 ASN 29 6.956 -6.092 8.861 229 HD22 ASN 29 2HD2 ASN 29 8.318 -6.971 8.258 230 H LEU 30 H LEU 30 6.122 -2.139 4.264 231 HA LEU 30 HA LEU 30 5.179 -4.737 3.246 232 HB2 LEU 30 2HB LEU 30 4.431 -1.912 2.466 233 HB3 LEU 30 3HB LEU 30 3.774 -3.358 1.720 234 HG LEU 30 HG LEU 30 3.447 -2.667 4.646 235 HD11 LEU 30 1HD1 LEU 30 1.153 -2.056 4.093 236 HD12 LEU 30 2HD1 LEU 30 1.479 -2.327 2.381 237 HD13 LEU 30 3HD1 LEU 30 2.301 -1.025 3.242 238 HD21 LEU 30 3HD2 LEU 30 1.755 -4.415 4.635 239 HD22 LEU 30 1HD2 LEU 30 3.315 -5.063 4.137 240 HD23 LEU 30 2HD2 LEU 30 2.072 -4.736 2.930 241 H GLY 31 H GLY 31 7.970 -3.291 2.988 242 HA2 GLY 31 2HA GLY 31 8.331 -2.609 0.263 243 HA3 GLY 31 3HA GLY 31 9.609 -3.006 1.398 244 H CYS 32 H CYS 32 8.226 -5.703 1.828 245 HA CYS 32 HA CYS 32 9.821 -7.114 -0.095 246 HB2 CYS 32 2HB CYS 32 9.533 -7.894 2.239 247 HB3 CYS 32 3HB CYS 32 7.837 -8.225 1.904 248 HG CYS 32 HG CYS 32 8.757 -10.712 1.790 249 H ILE 33 H ILE 33 6.857 -5.732 -0.509 250 HA ILE 33 HA ILE 33 5.205 -7.647 -1.640 251 HB ILE 33 HB ILE 33 4.288 -5.802 -3.092 252 HG12 ILE 33 2HG1 ILE 33 6.404 -4.168 -1.657 253 HG13 ILE 33 3HG1 ILE 33 6.358 -4.512 -3.382 254 HG21 ILE 33 1HG2 ILE 33 4.581 -5.243 -0.141 255 HG22 ILE 33 2HG2 ILE 33 3.381 -6.293 -0.892 256 HG23 ILE 33 3HG2 ILE 33 3.348 -4.557 -1.199 257 HD11 ILE 33 3HD1 ILE 33 5.597 -2.271 -2.962 258 HD12 ILE 33 1HD1 ILE 33 4.376 -2.856 -1.832 259 HD13 ILE 33 2HD1 ILE 33 4.252 -3.249 -3.548 260 H GLY 34 H GLY 34 8.090 -6.228 -3.031 261 HA2 GLY 34 2HA GLY 34 7.687 -7.134 -5.705 262 HA3 GLY 34 3HA GLY 34 9.227 -6.691 -4.980 263 H CYS 35 H CYS 35 9.566 -8.498 -2.988 264 HA CYS 35 HA CYS 35 10.413 -10.813 -4.404 265 HB2 CYS 35 2HB CYS 35 11.625 -9.976 -2.445 266 HB3 CYS 35 3HB CYS 35 10.247 -10.352 -1.416 267 HG CYS 35 HG CYS 35 11.521 -12.920 -3.200 268 H MET 36 H MET 36 7.747 -10.287 -2.097 269 HA MET 36 HA MET 36 6.845 -13.018 -2.297 270 HB2 MET 36 2HB MET 36 4.990 -12.351 -0.875 271 HB3 MET 36 3HB MET 36 6.502 -11.735 -0.227 272 HG2 MET 36 2HG MET 36 5.995 -9.524 -1.128 273 HG3 MET 36 3HG MET 36 4.488 -10.140 -1.801 274 HE1 MET 36 3HE MET 36 3.525 -12.113 0.572 275 HE2 MET 36 1HE MET 36 2.460 -11.022 -0.319 276 HE3 MET 36 2HE MET 36 2.458 -11.018 1.445 277 H GLY 37 H GLY 37 6.697 -10.599 -4.491 278 HA2 GLY 37 2HA GLY 37 5.517 -10.308 -6.434 279 HA3 GLY 37 3HA GLY 37 4.916 -11.939 -6.199 280 H ALA 38 H ALA 38 4.296 -9.362 -3.899 281 HA ALA 38 HA ALA 38 1.454 -9.820 -4.110 282 HB1 ALA 38 3HB ALA 38 2.505 -9.474 -1.935 283 HB2 ALA 38 1HB ALA 38 1.267 -8.256 -2.239 284 HB3 ALA 38 2HB ALA 38 2.974 -7.842 -2.410 285 H GLN 39 H GLN 39 3.076 -8.359 -6.306 286 HA GLN 39 HA GLN 39 2.157 -5.687 -6.439 287 HB2 GLN 39 2HB GLN 39 2.989 -7.528 -8.695 288 HB3 GLN 39 3HB GLN 39 2.828 -5.780 -8.810 289 HG2 GLN 39 2HG GLN 39 4.791 -7.259 -7.059 290 HG3 GLN 39 3HG GLN 39 5.160 -6.460 -8.586 291 HE21 GLN 39 1HE2 GLN 39 4.388 -5.995 -5.229 292 HE22 GLN 39 2HE2 GLN 39 4.790 -4.318 -5.168 293 H ASN 40 H ASN 40 0.676 -8.718 -7.301 294 HA ASN 40 HA ASN 40 -1.496 -7.441 -8.786 295 HB2 ASN 40 2HB ASN 40 -0.969 -10.353 -8.132 296 HB3 ASN 40 3HB ASN 40 -2.277 -9.769 -9.158 297 HD21 ASN 40 1HD2 ASN 40 0.056 -11.525 -9.711 298 HD22 ASN 40 2HD2 ASN 40 0.837 -10.798 -11.070 299 H GLU 41 H GLU 41 -0.810 -8.046 -5.585 300 HA GLU 41 HA GLU 41 -3.524 -8.786 -4.798 301 HB2 GLU 41 2HB GLU 41 -1.693 -10.010 -3.777 302 HB3 GLU 41 3HB GLU 41 -0.959 -8.516 -3.216 303 HG2 GLU 41 2HG GLU 41 -2.564 -8.196 -1.564 304 HG3 GLU 41 3HG GLU 41 -3.711 -9.299 -2.325 305 H SER 42 H SER 42 -4.778 -7.559 -3.315 306 HA SER 42 HA SER 42 -4.592 -4.719 -3.752 307 HB2 SER 42 2HB SER 42 -6.712 -4.567 -2.593 308 HB3 SER 42 3HB SER 42 -6.766 -5.941 -3.697 309 HG SER 42 HG SER 42 -7.602 -6.514 -1.674 310 H LEU 43 H LEU 43 -4.555 -3.087 -2.107 311 HA LEU 43 HA LEU 43 -2.517 -3.294 -0.239 312 HB2 LEU 43 2HB LEU 43 -4.888 -1.415 -0.182 313 HB3 LEU 43 3HB LEU 43 -3.412 -1.202 0.741 314 HG LEU 43 HG LEU 43 -3.642 -1.137 -2.277 315 HD11 LEU 43 1HD1 LEU 43 -3.113 1.063 -0.281 316 HD12 LEU 43 2HD1 LEU 43 -4.578 0.847 -1.240 317 HD13 LEU 43 3HD1 LEU 43 -3.052 1.233 -2.036 318 HD21 LEU 43 3HD2 LEU 43 -1.285 -0.458 -2.255 319 HD22 LEU 43 1HD2 LEU 43 -1.497 -2.079 -1.594 320 HD23 LEU 43 2HD2 LEU 43 -1.226 -0.712 -0.511 321 H GLU 44 H GLU 44 -6.000 -3.762 0.253 322 HA GLU 44 HA GLU 44 -5.914 -4.027 3.065 323 HB2 GLU 44 2HB GLU 44 -7.997 -3.574 1.926 324 HB3 GLU 44 3HB GLU 44 -7.895 -5.092 1.048 325 HG2 GLU 44 2HG GLU 44 -8.177 -6.337 3.121 326 HG3 GLU 44 3HG GLU 44 -8.210 -4.830 4.036 327 H GLN 45 H GLN 45 -5.934 -6.534 0.505 328 HA GLN 45 HA GLN 45 -5.841 -8.746 2.240 329 HB2 GLN 45 2HB GLN 45 -4.815 -8.468 -0.594 330 HB3 GLN 45 3HB GLN 45 -4.968 -9.998 0.261 331 HG2 GLN 45 2HG GLN 45 -7.376 -9.686 0.428 332 HG3 GLN 45 3HG GLN 45 -7.242 -8.123 -0.375 333 HE21 GLN 45 1HE2 GLN 45 -8.586 -8.760 -2.057 334 HE22 GLN 45 2HE2 GLN 45 -8.073 -9.871 -3.276 335 H GLY 46 H GLY 46 -3.194 -6.967 0.643 336 HA2 GLY 46 2HA GLY 46 -1.050 -8.423 1.743 337 HA3 GLY 46 3HA GLY 46 -0.971 -6.757 1.189 338 H ALA 47 H ALA 47 -2.877 -5.661 3.027 339 HA ALA 47 HA ALA 47 -1.309 -5.140 5.293 340 HB1 ALA 47 3HB ALA 47 -3.097 -3.646 4.535 341 HB2 ALA 47 1HB ALA 47 -3.291 -4.072 6.236 342 HB3 ALA 47 2HB ALA 47 -4.303 -4.843 5.013 343 H ASN 48 H ASN 48 -4.247 -7.181 5.047 344 HA ASN 48 HA ASN 48 -4.193 -8.250 7.627 345 HB2 ASN 48 2HB ASN 48 -5.188 -9.449 5.035 346 HB3 ASN 48 3HB ASN 48 -5.407 -10.237 6.594 347 HD21 ASN 48 1HD2 ASN 48 -6.410 -7.658 4.535 348 HD22 ASN 48 2HD2 ASN 48 -7.770 -7.168 5.481 349 H ALA 49 H ALA 49 -2.534 -9.392 4.694 350 HA ALA 49 HA ALA 49 -1.418 -11.742 5.763 351 HB1 ALA 49 3HB ALA 49 0.135 -11.653 3.887 352 HB2 ALA 49 1HB ALA 49 -0.285 -9.963 3.599 353 HB3 ALA 49 2HB ALA 49 -1.493 -11.226 3.362 354 H HIS 50 H HIS 50 -0.171 -8.410 5.721 355 HA HIS 50 HA HIS 50 2.251 -9.230 7.134 356 HB2 HIS 50 2HB HIS 50 1.348 -6.589 5.979 357 HB3 HIS 50 3HB HIS 50 2.818 -6.757 6.931 358 HD1 HIS 50 HD1 HIS 50 4.831 -7.032 5.540 359 HD2 HIS 50 HD2 HIS 50 1.464 -8.590 3.667 360 HE1 HIS 50 HE1 HIS 50 5.619 -7.830 3.302 361 HE2 HIS 50 HE2 HIS 50 3.624 -8.986 2.302 362 H GLY 51 H GLY 51 -0.742 -8.801 8.220 363 HA2 GLY 51 2HA GLY 51 -1.641 -8.368 10.292 364 HA3 GLY 51 3HA GLY 51 0.000 -8.387 10.910 365 H LEU 52 H LEU 52 -1.772 -6.189 8.718 366 HA LEU 52 HA LEU 52 -1.081 -3.941 10.510 367 HB2 LEU 52 2HB LEU 52 -1.064 -3.944 7.487 368 HB3 LEU 52 3HB LEU 52 -0.767 -2.543 8.499 369 HG LEU 52 HG LEU 52 0.981 -5.011 8.416 370 HD11 LEU 52 1HD1 LEU 52 2.572 -3.607 7.208 371 HD12 LEU 52 2HD1 LEU 52 1.399 -2.289 7.180 372 HD13 LEU 52 3HD1 LEU 52 1.066 -3.788 6.310 373 HD21 LEU 52 3HD2 LEU 52 1.381 -2.334 9.763 374 HD22 LEU 52 1HD2 LEU 52 2.567 -3.639 9.687 375 HD23 LEU 52 2HD2 LEU 52 1.059 -3.870 10.571 376 H ASN 53 H ASN 53 -2.406 -1.938 9.968 377 HA ASN 53 HA ASN 53 -5.214 -2.679 9.483 378 HB2 ASN 53 2HB ASN 53 -4.662 -1.453 11.592 379 HB3 ASN 53 3HB ASN 53 -4.098 -0.097 10.623 380 HD21 ASN 53 1HD2 ASN 53 -6.176 -0.006 12.544 381 HD22 ASN 53 2HD2 ASN 53 -7.635 0.399 11.722 382 H VAL 54 H VAL 54 -5.804 -2.469 7.399 383 HA VAL 54 HA VAL 54 -4.446 -1.006 5.450 384 HB VAL 54 HB VAL 54 -5.994 -2.821 4.895 385 HG11 VAL 54 1HG1 VAL 54 -7.758 -2.348 6.518 386 HG12 VAL 54 2HG1 VAL 54 -8.410 -2.487 4.886 387 HG13 VAL 54 3HG1 VAL 54 -8.207 -0.895 5.620 388 HG21 VAL 54 3HG2 VAL 54 -5.377 -1.190 3.169 389 HG22 VAL 54 1HG2 VAL 54 -6.779 -0.206 3.593 390 HG23 VAL 54 2HG2 VAL 54 -7.005 -1.820 2.915 391 H GLU 55 H GLU 55 -7.103 -0.007 7.553 392 HA GLU 55 HA GLU 55 -7.776 2.397 6.228 393 HB2 GLU 55 2HB GLU 55 -8.061 1.598 9.133 394 HB3 GLU 55 3HB GLU 55 -8.781 3.041 8.438 395 HG2 GLU 55 2HG GLU 55 -10.084 1.644 6.898 396 HG3 GLU 55 3HG GLU 55 -9.369 0.200 7.612 397 H ASP 56 H ASP 56 -5.358 1.660 8.698 398 HA ASP 56 HA ASP 56 -4.608 4.395 9.128 399 HB2 ASP 56 2HB ASP 56 -4.298 2.356 10.708 400 HB3 ASP 56 3HB ASP 56 -2.845 2.035 9.765 401 H ILE 57 H ILE 57 -3.338 1.719 7.173 402 HA ILE 57 HA ILE 57 -1.071 3.018 6.127 403 HB ILE 57 HB ILE 57 -2.831 0.963 4.762 404 HG12 ILE 57 2HG1 ILE 57 -0.323 0.575 6.432 405 HG13 ILE 57 3HG1 ILE 57 -1.962 0.211 6.960 406 HG21 ILE 57 1HG2 ILE 57 -1.383 2.102 3.170 407 HG22 ILE 57 2HG2 ILE 57 -0.831 0.447 3.418 408 HG23 ILE 57 3HG2 ILE 57 0.023 1.785 4.187 409 HD11 ILE 57 3HD1 ILE 57 -2.150 -1.493 5.232 410 HD12 ILE 57 1HD1 ILE 57 -0.772 -1.796 6.289 411 HD13 ILE 57 2HD1 ILE 57 -0.516 -1.121 4.681 412 H LEU 58 H LEU 58 -4.386 2.774 4.801 413 HA LEU 58 HA LEU 58 -4.040 4.423 2.569 414 HB2 LEU 58 2HB LEU 58 -6.514 4.021 4.259 415 HB3 LEU 58 3HB LEU 58 -6.498 4.773 2.673 416 HG LEU 58 HG LEU 58 -5.793 1.898 3.293 417 HD11 LEU 58 1HD1 LEU 58 -8.138 3.079 1.805 418 HD12 LEU 58 2HD1 LEU 58 -8.186 2.378 3.423 419 HD13 LEU 58 3HD1 LEU 58 -7.807 1.361 2.035 420 HD21 LEU 58 3HD2 LEU 58 -5.647 1.624 0.846 421 HD22 LEU 58 1HD2 LEU 58 -4.404 2.702 1.479 422 HD23 LEU 58 2HD2 LEU 58 -5.813 3.369 0.655 423 H ARG 59 H ARG 59 -4.697 5.254 5.934 424 HA ARG 59 HA ARG 59 -5.302 7.960 5.699 425 HB2 ARG 59 2HB ARG 59 -5.438 6.808 7.831 426 HB3 ARG 59 3HB ARG 59 -3.704 6.520 7.831 427 HG2 ARG 59 2HG ARG 59 -3.317 8.948 7.991 428 HG3 ARG 59 3HG ARG 59 -5.062 9.206 8.049 429 HD2 ARG 59 2HD ARG 59 -4.116 9.275 10.287 430 HD3 ARG 59 3HD ARG 59 -5.181 7.880 10.114 431 HE ARG 59 HE ARG 59 -2.905 6.690 9.646 432 HH11 ARG 59 1HH1 ARG 59 -3.488 9.170 11.969 433 HH12 ARG 59 2HH1 ARG 59 -2.256 8.600 13.037 434 HH21 ARG 59 1HH2 ARG 59 -1.343 5.965 11.034 435 HH22 ARG 59 2HH2 ARG 59 -1.054 6.818 12.514 436 H ASP 60 H ASP 60 -2.086 6.441 5.987 437 HA ASP 60 HA ASP 60 -0.639 8.883 5.792 438 HB2 ASP 60 2HB ASP 60 0.079 6.533 6.705 439 HB3 ASP 60 3HB ASP 60 0.546 6.225 5.036 440 H LEU 61 H LEU 61 -1.566 6.409 3.432 441 HA LEU 61 HA LEU 61 -0.111 7.372 1.223 442 HB2 LEU 61 2HB LEU 61 -2.683 5.796 1.343 443 HB3 LEU 61 3HB LEU 61 -1.786 6.086 -0.136 444 HG LEU 61 HG LEU 61 -0.754 4.561 2.266 445 HD11 LEU 61 1HD1 LEU 61 -2.488 3.322 1.103 446 HD12 LEU 61 2HD1 LEU 61 -0.909 2.592 0.814 447 HD13 LEU 61 3HD1 LEU 61 -1.667 3.578 -0.438 448 HD21 LEU 61 3HD2 LEU 61 1.134 3.975 0.824 449 HD22 LEU 61 1HD2 LEU 61 1.034 5.719 1.071 450 HD23 LEU 61 2HD2 LEU 61 0.490 5.011 -0.450 451 H ASN 62 H ASN 62 -3.562 7.950 2.058 452 HA ASN 62 HA ASN 62 -3.984 9.779 -0.076 453 HB2 ASN 62 2HB ASN 62 -5.532 9.280 2.472 454 HB3 ASN 62 3HB ASN 62 -6.036 10.468 1.274 455 HD21 ASN 62 1HD2 ASN 62 -5.807 7.112 2.031 456 HD22 ASN 62 2HD2 ASN 62 -6.671 6.532 0.655 457 H ALA 63 H ALA 63 -2.680 10.161 3.139 458 HA ALA 63 HA ALA 63 -2.868 12.945 3.429 459 HB1 ALA 63 3HB ALA 63 -2.133 11.436 5.226 460 HB2 ALA 63 1HB ALA 63 -0.993 12.757 4.973 461 HB3 ALA 63 2HB ALA 63 -0.626 11.147 4.358 462 H LEU 64 H LEU 64 -0.800 11.005 1.382 463 HA LEU 64 HA LEU 64 1.151 12.963 0.750 464 HB2 LEU 64 2HB LEU 64 0.134 10.696 -0.975 465 HB3 LEU 64 3HB LEU 64 1.627 11.582 -1.222 466 HG LEU 64 HG LEU 64 1.024 9.813 1.159 467 HD11 LEU 64 1HD1 LEU 64 2.693 8.301 0.180 468 HD12 LEU 64 2HD1 LEU 64 2.799 9.343 -1.240 469 HD13 LEU 64 3HD1 LEU 64 1.291 8.504 -0.870 470 HD21 LEU 64 3HD2 LEU 64 3.553 11.257 0.356 471 HD22 LEU 64 1HD2 LEU 64 3.407 10.103 1.684 472 HD23 LEU 64 2HD2 LEU 64 2.529 11.630 1.743 473 H ALA 65 H ALA 65 -2.115 12.484 -0.334 474 HA ALA 65 HA ALA 65 -1.826 14.358 -2.566 475 HB1 ALA 65 3HB ALA 65 -4.114 13.718 -3.146 476 HB2 ALA 65 1HB ALA 65 -4.229 12.758 -1.672 477 HB3 ALA 65 2HB ALA 65 -3.092 12.295 -2.939 478 H LEU 66 H LEU 66 -3.428 14.108 0.576 479 HA LEU 66 HA LEU 66 -4.814 16.627 0.300 480 HB2 LEU 66 2HB LEU 66 -4.374 14.919 2.758 481 HB3 LEU 66 3HB LEU 66 -5.504 16.255 2.626 482 HG LEU 66 HG LEU 66 -5.664 13.637 1.112 483 HD11 LEU 66 1HD1 LEU 66 -7.383 14.752 3.332 484 HD12 LEU 66 2HD1 LEU 66 -6.243 13.413 3.469 485 HD13 LEU 66 3HD1 LEU 66 -7.674 13.251 2.452 486 HD21 LEU 66 3HD2 LEU 66 -7.822 14.461 0.295 487 HD22 LEU 66 1HD2 LEU 66 -6.494 15.485 -0.248 488 HD23 LEU 66 2HD2 LEU 66 -7.532 16.014 1.077 489 H GLU 67 H GLU 67 -2.104 15.467 2.296 490 HA GLU 67 HA GLU 67 -0.370 16.495 3.326 491 HB2 GLU 67 2HB GLU 67 -0.755 18.520 1.113 492 HB3 GLU 67 3HB GLU 67 0.690 18.348 2.102 493 HG2 GLU 67 2HG GLU 67 1.033 16.091 1.220 494 HG3 GLU 67 3HG GLU 67 -0.422 16.253 0.239 495 H HIS 68 H HIS 68 -3.251 17.469 3.959 496 HA HIS 68 HA HIS 68 -3.153 20.136 4.793 497 HB2 HIS 68 2HB HIS 68 -5.049 19.639 6.209 498 HB3 HIS 68 3HB HIS 68 -5.227 18.764 4.694 499 HD1 HIS 68 HD1 HIS 68 -5.334 18.302 8.275 500 HD2 HIS 68 HD2 HIS 68 -4.497 15.906 4.980 501 HE1 HIS 68 HE1 HIS 68 -5.537 15.936 9.093 502 HE2 HIS 68 HE2 HIS 68 -5.042 14.503 7.086 503 H HIS 69 H HIS 69 -2.415 21.160 6.615 504 HA HIS 69 HA HIS 69 -0.151 19.971 7.840 505 HB2 HIS 69 2HB HIS 69 -1.581 22.571 8.428 506 HB3 HIS 69 3HB HIS 69 -0.037 22.106 9.140 507 HD1 HIS 69 HD1 HIS 69 2.045 22.440 7.728 508 HD2 HIS 69 HD2 HIS 69 -1.468 23.064 5.596 509 HE1 HIS 69 HE1 HIS 69 2.756 23.405 5.523 510 HE2 HIS 69 HE2 HIS 69 0.633 23.595 4.191 511 H HIS 70 H HIS 70 0.257 19.861 10.188 512 HA HIS 70 HA HIS 70 -1.788 18.165 11.313 513 HB2 HIS 70 2HB HIS 70 1.020 18.819 12.212 514 HB3 HIS 70 3HB HIS 70 -0.042 17.699 13.062 515 HD1 HIS 70 HD1 HIS 70 2.042 18.018 9.956 516 HD2 HIS 70 HD2 HIS 70 -0.423 15.224 11.805 517 HE1 HIS 70 HE1 HIS 70 2.437 15.860 8.742 518 HE2 HIS 70 HE2 HIS 70 0.872 14.208 9.812 519 H HIS 71 H HIS 71 -3.456 19.310 12.148 520 HA HIS 71 HA HIS 71 -2.868 20.666 14.696 521 HB2 HIS 71 2HB HIS 71 -4.601 21.644 12.467 522 HB3 HIS 71 3HB HIS 71 -5.182 21.894 14.109 523 HD1 HIS 71 HD1 HIS 71 -3.102 23.440 11.600 524 HD2 HIS 71 HD2 HIS 71 -3.160 23.323 15.752 525 HE1 HIS 71 HE1 HIS 71 -1.718 25.391 12.350 526 HE2 HIS 71 HE2 HIS 71 -1.852 25.364 14.859 527 H HIS 72 H HIS 72 -3.981 19.882 16.400 528 HA HIS 72 HA HIS 72 -5.932 17.722 15.837 529 HB2 HIS 72 2HB HIS 72 -5.033 16.550 17.797 530 HB3 HIS 72 3HB HIS 72 -3.758 16.873 16.625 531 HD1 HIS 72 HD1 HIS 72 -4.889 17.743 20.073 532 HD2 HIS 72 HD2 HIS 72 -1.815 18.746 17.463 533 HE1 HIS 72 HE1 HIS 72 -3.215 19.001 21.456 534 HE2 HIS 72 HE2 HIS 72 -1.452 19.734 19.819 535 H HIS 73 H HIS 73 -7.293 17.152 17.793 536 HA HIS 73 HA HIS 73 -8.058 19.573 19.314 537 HB2 HIS 73 2HB HIS 73 -9.712 17.114 18.673 538 HB3 HIS 73 3HB HIS 73 -10.261 18.477 19.643 539 HD1 HIS 73 HD1 HIS 73 -10.448 20.813 18.327 540 HD2 HIS 73 HD2 HIS 73 -10.042 17.412 15.974 541 HE1 HIS 73 HE1 HIS 73 -11.183 21.496 16.024 542 HE2 HIS 73 HE2 HIS 73 -10.795 19.465 14.593 Start of MODEL 20 1 H1 MET 1 1H MET 1 -18.045 11.331 -2.265 2 H2 MET 1 2H MET 1 -18.401 10.986 -3.877 3 H3 MET 1 3H MET 1 -18.439 12.585 -3.332 4 HA MET 1 HA MET 1 -16.441 12.257 -4.582 5 HB2 MET 1 2HB MET 1 -15.883 12.310 -1.601 6 HB3 MET 1 3HB MET 1 -14.770 12.840 -2.856 7 HG2 MET 1 2HG MET 1 -16.330 14.609 -3.501 8 HG3 MET 1 3HG MET 1 -17.452 14.077 -2.250 9 HE1 MET 1 3HE MET 1 -15.418 14.846 1.024 10 HE2 MET 1 1HE MET 1 -15.436 13.327 0.130 11 HE3 MET 1 2HE MET 1 -16.934 14.229 0.366 12 H THR 2 H THR 2 -14.006 11.302 -3.857 13 HA THR 2 HA THR 2 -14.212 8.523 -3.008 14 HB THR 2 HB THR 2 -14.647 8.219 -5.371 15 HG1 THR 2 HG1 THR 2 -11.896 7.568 -5.064 16 HG21 THR 2 3HG2 THR 2 -12.069 9.715 -5.876 17 HG22 THR 2 1HG2 THR 2 -13.691 10.330 -6.200 18 HG23 THR 2 2HG2 THR 2 -13.076 8.941 -7.098 19 H GLN 3 H GLN 3 -12.272 7.623 -2.308 20 HA GLN 3 HA GLN 3 -10.137 9.435 -1.664 21 HB2 GLN 3 2HB GLN 3 -10.229 6.416 -1.425 22 HB3 GLN 3 3HB GLN 3 -9.039 7.470 -0.676 23 HG2 GLN 3 2HG GLN 3 -10.850 8.514 0.645 24 HG3 GLN 3 3HG GLN 3 -11.988 7.366 -0.058 25 HE21 GLN 3 1HE2 GLN 3 -11.798 5.166 0.486 26 HE22 GLN 3 2HE2 GLN 3 -10.960 4.660 1.908 27 H LYS 4 H LYS 4 -7.925 9.245 -2.375 28 HA LYS 4 HA LYS 4 -7.609 8.479 -5.141 29 HB2 LYS 4 2HB LYS 4 -5.640 9.517 -3.088 30 HB3 LYS 4 3HB LYS 4 -5.211 9.170 -4.757 31 HG2 LYS 4 2HG LYS 4 -7.259 11.196 -3.852 32 HG3 LYS 4 3HG LYS 4 -5.624 11.554 -4.408 33 HD2 LYS 4 2HD LYS 4 -7.809 10.253 -6.048 34 HD3 LYS 4 3HD LYS 4 -7.275 11.928 -6.185 35 HE2 LYS 4 2HE LYS 4 -5.050 11.174 -6.870 36 HE3 LYS 4 3HE LYS 4 -5.555 9.494 -6.697 37 HZ1 LYS 4 3HZ LYS 4 -6.712 11.450 -8.604 38 HZ2 LYS 4 1HZ LYS 4 -7.175 9.832 -8.444 39 HZ3 LYS 4 2HZ LYS 4 -5.624 10.216 -8.995 40 H PHE 5 H PHE 5 -6.906 7.123 -2.019 41 HA PHE 5 HA PHE 5 -5.901 4.683 -3.334 42 HB2 PHE 5 2HB PHE 5 -4.957 5.855 -0.703 43 HB3 PHE 5 3HB PHE 5 -4.468 4.287 -1.342 44 HD1 PHE 5 HD2 PHE 5 -4.156 7.924 -1.718 45 HD2 PHE 5 HD1 PHE 5 -2.927 4.122 -3.200 46 HE1 PHE 5 HE2 PHE 5 -2.350 9.004 -2.988 47 HE2 PHE 5 HE1 PHE 5 -1.121 5.201 -4.474 48 HZ PHE 5 HZ PHE 5 -0.836 7.643 -4.370 49 H THR 6 H THR 6 -7.128 2.973 -2.987 50 HA THR 6 HA THR 6 -8.843 2.862 -0.572 51 HB THR 6 HB THR 6 -10.314 3.227 -2.436 52 HG1 THR 6 HG1 THR 6 -11.506 1.751 -1.494 53 HG21 THR 6 3HG2 THR 6 -10.351 1.766 -4.409 54 HG22 THR 6 1HG2 THR 6 -8.950 0.888 -3.795 55 HG23 THR 6 2HG2 THR 6 -8.798 2.584 -4.255 56 H LYS 7 H LYS 7 -9.553 0.600 -0.021 57 HA LYS 7 HA LYS 7 -7.336 -1.124 0.304 58 HB2 LYS 7 2HB LYS 7 -8.924 -2.729 1.212 59 HB3 LYS 7 3HB LYS 7 -9.290 -1.117 1.815 60 HG2 LYS 7 2HG LYS 7 -11.171 -0.905 0.374 61 HG3 LYS 7 3HG LYS 7 -10.716 -2.345 -0.540 62 HD2 LYS 7 2HD LYS 7 -12.566 -2.839 0.962 63 HD3 LYS 7 3HD LYS 7 -11.123 -3.730 1.448 64 HE2 LYS 7 2HE LYS 7 -10.681 -2.050 3.182 65 HE3 LYS 7 3HE LYS 7 -12.135 -1.175 2.700 66 HZ1 LYS 7 3HZ LYS 7 -12.571 -2.556 4.607 67 HZ2 LYS 7 1HZ LYS 7 -12.037 -3.936 3.787 68 HZ3 LYS 7 2HZ LYS 7 -13.440 -3.137 3.279 69 H ASP 8 H ASP 8 -9.723 -0.854 -2.203 70 HA ASP 8 HA ASP 8 -9.566 -3.509 -3.217 71 HB2 ASP 8 2HB ASP 8 -11.535 -2.120 -3.570 72 HB3 ASP 8 3HB ASP 8 -10.584 -0.951 -4.482 73 H MET 9 H MET 9 -7.832 -0.532 -4.007 74 HA MET 9 HA MET 9 -6.732 -1.522 -6.454 75 HB2 MET 9 2HB MET 9 -5.325 0.467 -6.432 76 HB3 MET 9 3HB MET 9 -6.987 0.882 -6.035 77 HG2 MET 9 2HG MET 9 -6.290 0.809 -3.609 78 HG3 MET 9 3HG MET 9 -4.626 0.715 -4.181 79 HE1 MET 9 3HE MET 9 -3.482 2.643 -5.679 80 HE2 MET 9 1HE MET 9 -4.319 4.121 -6.151 81 HE3 MET 9 2HE MET 9 -4.829 2.567 -6.814 82 H THR 10 H THR 10 -4.590 -2.159 -6.896 83 HA THR 10 HA THR 10 -3.453 -3.789 -4.788 84 HB THR 10 HB THR 10 -2.043 -4.759 -6.499 85 HG1 THR 10 HG1 THR 10 -2.224 -3.914 -8.689 86 HG21 THR 10 3HG2 THR 10 -3.742 -5.620 -8.028 87 HG22 THR 10 1HG2 THR 10 -4.833 -4.309 -7.580 88 HG23 THR 10 2HG2 THR 10 -4.380 -5.527 -6.386 89 H PHE 11 H PHE 11 -1.119 -3.870 -4.373 90 HA PHE 11 HA PHE 11 0.036 -1.466 -3.621 91 HB2 PHE 11 2HB PHE 11 1.364 -4.096 -4.309 92 HB3 PHE 11 3HB PHE 11 2.205 -2.748 -3.552 93 HD1 PHE 11 HD1 PHE 11 1.408 -1.945 -1.287 94 HD2 PHE 11 HD2 PHE 11 0.110 -5.615 -3.022 95 HE1 PHE 11 HE1 PHE 11 0.704 -2.743 0.930 96 HE2 PHE 11 HE2 PHE 11 -0.597 -6.413 -0.806 97 HZ PHE 11 HZ PHE 11 -0.303 -4.979 1.171 98 H ALA 12 H ALA 12 0.502 -3.274 -6.647 99 HA ALA 12 HA ALA 12 2.480 -1.688 -7.819 100 HB1 ALA 12 3HB ALA 12 1.754 -3.847 -8.728 101 HB2 ALA 12 1HB ALA 12 1.724 -2.584 -9.958 102 HB3 ALA 12 2HB ALA 12 0.220 -3.126 -9.212 103 H GLN 13 H GLN 13 -1.075 -1.376 -8.086 104 HA GLN 13 HA GLN 13 -1.139 0.892 -9.721 105 HB2 GLN 13 2HB GLN 13 -3.093 0.054 -7.566 106 HB3 GLN 13 3HB GLN 13 -3.409 1.287 -8.779 107 HG2 GLN 13 2HG GLN 13 -3.163 -0.413 -10.546 108 HG3 GLN 13 3HG GLN 13 -2.908 -1.641 -9.308 109 HE21 GLN 13 1HE2 GLN 13 -5.178 1.007 -9.008 110 HE22 GLN 13 2HE2 GLN 13 -6.599 0.030 -9.054 111 H ALA 14 H ALA 14 -1.056 0.660 -6.175 112 HA ALA 14 HA ALA 14 -1.299 3.369 -5.553 113 HB1 ALA 14 3HB ALA 14 -1.451 1.590 -3.885 114 HB2 ALA 14 1HB ALA 14 -0.269 2.807 -3.406 115 HB3 ALA 14 2HB ALA 14 0.273 1.263 -4.064 116 H LEU 15 H LEU 15 1.677 1.470 -6.082 117 HA LEU 15 HA LEU 15 3.529 3.551 -5.702 118 HB2 LEU 15 2HB LEU 15 3.756 1.117 -7.485 119 HB3 LEU 15 3HB LEU 15 5.098 2.126 -6.970 120 HG LEU 15 HG LEU 15 3.349 0.485 -5.124 121 HD11 LEU 15 1HD1 LEU 15 4.764 -0.920 -6.539 122 HD12 LEU 15 2HD1 LEU 15 5.282 -0.964 -4.854 123 HD13 LEU 15 3HD1 LEU 15 6.186 -0.005 -6.030 124 HD21 LEU 15 3HD2 LEU 15 4.218 2.489 -4.040 125 HD22 LEU 15 1HD2 LEU 15 5.855 2.074 -4.554 126 HD23 LEU 15 2HD2 LEU 15 4.998 1.041 -3.409 127 H GLN 16 H GLN 16 1.793 2.505 -8.619 128 HA GLN 16 HA GLN 16 3.148 4.322 -10.375 129 HB2 GLN 16 2HB GLN 16 0.500 2.895 -10.730 130 HB3 GLN 16 3HB GLN 16 1.384 3.728 -12.002 131 HG2 GLN 16 2HG GLN 16 2.300 1.284 -10.491 132 HG3 GLN 16 3HG GLN 16 1.720 1.334 -12.154 133 HE21 GLN 16 1HE2 GLN 16 4.348 2.085 -10.020 134 HE22 GLN 16 2HE2 GLN 16 5.525 2.371 -11.246 135 H THR 17 H THR 17 0.513 4.656 -8.173 136 HA THR 17 HA THR 17 -0.614 7.008 -9.424 137 HB THR 17 HB THR 17 -1.105 5.881 -6.648 138 HG1 THR 17 HG1 THR 17 -1.834 4.471 -8.273 139 HG21 THR 17 3HG2 THR 17 -1.687 8.258 -6.758 140 HG22 THR 17 1HG2 THR 17 -3.146 7.267 -6.686 141 HG23 THR 17 2HG2 THR 17 -2.632 7.969 -8.220 142 H HIS 18 H HIS 18 1.223 6.429 -6.401 143 HA HIS 18 HA HIS 18 2.391 9.121 -6.671 144 HB2 HIS 18 2HB HIS 18 0.887 8.059 -4.300 145 HB3 HIS 18 3HB HIS 18 2.243 9.141 -4.024 146 HD1 HIS 18 HD1 HIS 18 -0.306 9.543 -6.806 147 HD2 HIS 18 HD2 HIS 18 0.861 11.373 -3.276 148 HE1 HIS 18 HE1 HIS 18 -1.600 11.675 -6.708 149 HE2 HIS 18 HE2 HIS 18 -0.660 12.881 -4.718 150 HA PRO 19 HA PRO 19 6.121 6.623 -6.175 151 HB2 PRO 19 2HB PRO 19 7.286 9.321 -5.658 152 HB3 PRO 19 3HB PRO 19 7.817 8.065 -6.781 153 HG2 PRO 19 2HG PRO 19 6.564 10.224 -7.689 154 HG3 PRO 19 3HG PRO 19 6.210 8.626 -8.375 155 HD2 PRO 19 2HD PRO 19 4.615 10.246 -6.422 156 HD3 PRO 19 3HD PRO 19 4.053 9.256 -7.785 157 H GLY 20 H GLY 20 5.217 9.209 -3.911 158 HA2 GLY 20 2HA GLY 20 6.894 8.562 -1.767 159 HA3 GLY 20 3HA GLY 20 5.341 9.362 -1.621 160 H VAL 21 H VAL 21 4.118 6.841 -2.905 161 HA VAL 21 HA VAL 21 3.262 5.578 -0.548 162 HB VAL 21 HB VAL 21 3.192 4.570 -3.404 163 HG11 VAL 21 1HG1 VAL 21 1.428 3.033 -2.644 164 HG12 VAL 21 2HG1 VAL 21 1.714 3.536 -0.978 165 HG13 VAL 21 3HG1 VAL 21 2.976 2.688 -1.875 166 HG21 VAL 21 3HG2 VAL 21 1.982 6.664 -3.041 167 HG22 VAL 21 1HG2 VAL 21 1.082 5.925 -1.718 168 HG23 VAL 21 2HG2 VAL 21 0.868 5.337 -3.368 169 H ALA 22 H ALA 22 5.963 4.860 -2.695 170 HA ALA 22 HA ALA 22 6.587 2.261 -1.909 171 HB1 ALA 22 3HB ALA 22 8.531 4.460 -2.630 172 HB2 ALA 22 1HB ALA 22 7.676 3.426 -3.776 173 HB3 ALA 22 2HB ALA 22 8.856 2.726 -2.667 174 H GLY 23 H GLY 23 7.803 5.319 -0.514 175 HA2 GLY 23 2HA GLY 23 9.297 4.210 1.593 176 HA3 GLY 23 3HA GLY 23 8.620 5.831 1.569 177 H VAL 24 H VAL 24 5.879 5.170 1.461 178 HA VAL 24 HA VAL 24 5.233 4.777 4.168 179 HB VAL 24 HB VAL 24 3.412 4.326 1.786 180 HG11 VAL 24 1HG1 VAL 24 2.464 3.469 3.853 181 HG12 VAL 24 2HG1 VAL 24 1.608 4.925 3.349 182 HG13 VAL 24 3HG1 VAL 24 2.783 5.004 4.663 183 HG21 VAL 24 3HG2 VAL 24 4.463 6.513 1.645 184 HG22 VAL 24 1HG2 VAL 24 3.994 6.867 3.308 185 HG23 VAL 24 2HG2 VAL 24 2.759 6.677 2.064 186 H LEU 25 H LEU 25 4.761 2.533 1.418 187 HA LEU 25 HA LEU 25 3.833 0.345 2.868 188 HB2 LEU 25 2HB LEU 25 5.496 0.329 0.343 189 HB3 LEU 25 3HB LEU 25 4.566 -1.027 0.949 190 HG LEU 25 HG LEU 25 3.450 1.600 -0.046 191 HD11 LEU 25 1HD1 LEU 25 2.470 0.217 -1.825 192 HD12 LEU 25 2HD1 LEU 25 3.330 -1.187 -1.191 193 HD13 LEU 25 3HD1 LEU 25 4.233 0.181 -1.845 194 HD21 LEU 25 3HD2 LEU 25 1.987 -0.824 1.006 195 HD22 LEU 25 1HD2 LEU 25 1.241 0.594 0.268 196 HD23 LEU 25 2HD2 LEU 25 2.098 0.746 1.801 197 H ARG 26 H ARG 26 7.191 1.075 1.881 198 HA ARG 26 HA ARG 26 8.357 -1.202 3.058 199 HB2 ARG 26 2HB ARG 26 9.594 1.500 2.479 200 HB3 ARG 26 3HB ARG 26 10.499 0.045 2.879 201 HG2 ARG 26 2HG ARG 26 9.608 -1.048 0.856 202 HG3 ARG 26 3HG ARG 26 8.751 0.440 0.447 203 HD2 ARG 26 2HD ARG 26 10.833 0.263 -0.814 204 HD3 ARG 26 3HD ARG 26 10.892 1.628 0.303 205 HE ARG 26 HE ARG 26 11.995 -0.673 1.514 206 HH11 ARG 26 1HH1 ARG 26 12.717 1.651 -0.922 207 HH12 ARG 26 2HH1 ARG 26 14.421 1.531 -0.678 208 HH21 ARG 26 1HH2 ARG 26 14.169 -0.844 1.795 209 HH22 ARG 26 2HH2 ARG 26 15.242 0.103 0.821 210 H SER 27 H SER 27 7.548 1.944 4.442 211 HA SER 27 HA SER 27 8.948 1.695 6.884 212 HB2 SER 27 2HB SER 27 7.981 3.833 6.192 213 HB3 SER 27 3HB SER 27 6.356 3.161 6.303 214 HG SER 27 HG SER 27 6.823 4.328 8.171 215 H TYR 28 H TYR 28 5.764 0.557 5.876 216 HA TYR 28 HA TYR 28 5.194 -0.594 8.497 217 HB2 TYR 28 2HB TYR 28 3.627 -0.468 5.917 218 HB3 TYR 28 3HB TYR 28 3.066 -1.352 7.330 219 HD1 TYR 28 HD2 TYR 28 4.218 2.072 6.339 220 HD2 TYR 28 HD1 TYR 28 1.713 -0.258 8.874 221 HE1 TYR 28 HE2 TYR 28 3.200 4.130 7.213 222 HE2 TYR 28 HE1 TYR 28 0.688 1.796 9.757 223 HH TYR 28 HH TYR 28 1.202 4.154 9.992 224 H ASN 29 H ASN 29 7.280 -1.581 6.345 225 HA ASN 29 HA ASN 29 8.224 -3.545 5.708 226 HB2 ASN 29 2HB ASN 29 7.825 -4.067 8.175 227 HB3 ASN 29 3HB ASN 29 6.391 -4.950 7.665 228 HD21 ASN 29 1HD2 ASN 29 8.827 -5.905 8.977 229 HD22 ASN 29 2HD2 ASN 29 9.463 -7.136 7.949 230 H LEU 30 H LEU 30 6.238 -2.602 4.085 231 HA LEU 30 HA LEU 30 4.947 -5.060 3.072 232 HB2 LEU 30 2HB LEU 30 4.292 -2.154 2.519 233 HB3 LEU 30 3HB LEU 30 3.480 -3.521 1.782 234 HG LEU 30 HG LEU 30 3.466 -2.931 4.750 235 HD11 LEU 30 1HD1 LEU 30 1.153 -2.206 4.413 236 HD12 LEU 30 2HD1 LEU 30 1.338 -2.414 2.671 237 HD13 LEU 30 3HD1 LEU 30 2.283 -1.188 3.518 238 HD21 LEU 30 3HD2 LEU 30 1.678 -4.592 4.829 239 HD22 LEU 30 1HD2 LEU 30 3.167 -5.298 4.205 240 HD23 LEU 30 2HD2 LEU 30 1.856 -4.884 3.099 241 H GLY 31 H GLY 31 7.780 -3.787 2.711 242 HA2 GLY 31 2HA GLY 31 7.909 -2.960 -0.036 243 HA3 GLY 31 3HA GLY 31 9.273 -3.268 1.023 244 H CYS 32 H CYS 32 8.234 -6.030 1.584 245 HA CYS 32 HA CYS 32 9.747 -7.410 -0.352 246 HB2 CYS 32 2HB CYS 32 9.404 -8.283 1.909 247 HB3 CYS 32 3HB CYS 32 7.691 -8.517 1.578 248 HG CYS 32 HG CYS 32 8.957 -11.011 1.556 249 H ILE 33 H ILE 33 6.607 -6.200 -0.637 250 HA ILE 33 HA ILE 33 5.152 -8.032 -2.072 251 HB ILE 33 HB ILE 33 4.153 -6.098 -3.320 252 HG12 ILE 33 2HG1 ILE 33 6.193 -4.496 -1.742 253 HG13 ILE 33 3HG1 ILE 33 6.184 -4.711 -3.488 254 HG21 ILE 33 1HG2 ILE 33 4.428 -5.795 -0.327 255 HG22 ILE 33 2HG2 ILE 33 3.247 -6.791 -1.181 256 HG23 ILE 33 3HG2 ILE 33 3.183 -5.035 -1.320 257 HD11 ILE 33 3HD1 ILE 33 5.331 -2.537 -2.868 258 HD12 ILE 33 1HD1 ILE 33 4.085 -3.283 -1.869 259 HD13 ILE 33 2HD1 ILE 33 4.064 -3.504 -3.620 260 H GLY 34 H GLY 34 7.817 -6.027 -3.281 261 HA2 GLY 34 2HA GLY 34 7.595 -6.798 -6.013 262 HA3 GLY 34 3HA GLY 34 9.023 -6.122 -5.242 263 H CYS 35 H CYS 35 9.469 -8.121 -3.306 264 HA CYS 35 HA CYS 35 10.968 -9.987 -4.818 265 HB2 CYS 35 2HB CYS 35 10.234 -10.066 -1.879 266 HB3 CYS 35 3HB CYS 35 11.485 -11.040 -2.646 267 HG CYS 35 HG CYS 35 13.166 -9.308 -1.668 268 H MET 36 H MET 36 8.062 -10.459 -2.789 269 HA MET 36 HA MET 36 7.755 -13.200 -3.600 270 HB2 MET 36 2HB MET 36 5.652 -13.123 -2.314 271 HB3 MET 36 3HB MET 36 7.013 -12.498 -1.395 272 HG2 MET 36 2HG MET 36 6.288 -10.206 -1.910 273 HG3 MET 36 3HG MET 36 4.895 -10.857 -2.773 274 HE1 MET 36 3HE MET 36 4.076 -13.332 -0.955 275 HE2 MET 36 1HE MET 36 2.895 -12.182 -1.581 276 HE3 MET 36 2HE MET 36 2.900 -12.596 0.134 277 H GLY 37 H GLY 37 7.006 -10.295 -5.137 278 HA2 GLY 37 2HA GLY 37 5.973 -9.918 -7.169 279 HA3 GLY 37 3HA GLY 37 5.605 -11.633 -7.259 280 H ALA 38 H ALA 38 4.635 -9.591 -4.582 281 HA ALA 38 HA ALA 38 1.842 -10.265 -5.041 282 HB1 ALA 38 3HB ALA 38 2.753 -10.452 -2.786 283 HB2 ALA 38 1HB ALA 38 1.462 -9.250 -2.838 284 HB3 ALA 38 2HB ALA 38 3.148 -8.734 -2.787 285 H GLN 39 H GLN 39 3.102 -8.419 -6.929 286 HA GLN 39 HA GLN 39 2.404 -5.735 -6.409 287 HB2 GLN 39 2HB GLN 39 2.757 -7.193 -9.032 288 HB3 GLN 39 3HB GLN 39 2.575 -5.449 -8.895 289 HG2 GLN 39 2HG GLN 39 4.807 -7.096 -7.706 290 HG3 GLN 39 3HG GLN 39 4.916 -6.091 -9.150 291 HE21 GLN 39 1HE2 GLN 39 4.774 -6.120 -5.691 292 HE22 GLN 39 2HE2 GLN 39 5.173 -4.458 -5.459 293 H ASN 40 H ASN 40 0.555 -8.409 -7.755 294 HA ASN 40 HA ASN 40 -1.726 -6.694 -8.368 295 HB2 ASN 40 2HB ASN 40 -1.361 -9.687 -8.664 296 HB3 ASN 40 3HB ASN 40 -2.770 -8.778 -9.212 297 HD21 ASN 40 1HD2 ASN 40 0.580 -9.476 -9.775 298 HD22 ASN 40 2HD2 ASN 40 0.655 -8.774 -11.353 299 H GLU 41 H GLU 41 -0.651 -7.574 -5.546 300 HA GLU 41 HA GLU 41 -3.125 -8.639 -4.417 301 HB2 GLU 41 2HB GLU 41 -0.969 -9.519 -3.624 302 HB3 GLU 41 3HB GLU 41 -0.493 -7.912 -3.100 303 HG2 GLU 41 2HG GLU 41 -2.068 -7.898 -1.349 304 HG3 GLU 41 3HG GLU 41 -2.931 -9.289 -2.005 305 H SER 42 H SER 42 -4.600 -7.441 -3.279 306 HA SER 42 HA SER 42 -4.515 -4.591 -3.588 307 HB2 SER 42 2HB SER 42 -6.720 -4.564 -2.596 308 HB3 SER 42 3HB SER 42 -6.629 -5.927 -3.708 309 HG SER 42 HG SER 42 -7.593 -6.538 -1.751 310 H LEU 43 H LEU 43 -4.720 -3.018 -1.888 311 HA LEU 43 HA LEU 43 -2.636 -3.138 -0.062 312 HB2 LEU 43 2HB LEU 43 -5.094 -1.386 0.057 313 HB3 LEU 43 3HB LEU 43 -3.603 -1.101 0.938 314 HG LEU 43 HG LEU 43 -3.921 -1.051 -2.076 315 HD11 LEU 43 1HD1 LEU 43 -3.400 1.184 -0.114 316 HD12 LEU 43 2HD1 LEU 43 -4.913 0.890 -0.972 317 HD13 LEU 43 3HD1 LEU 43 -3.464 1.337 -1.872 318 HD21 LEU 43 3HD2 LEU 43 -1.593 -0.270 -2.112 319 HD22 LEU 43 1HD2 LEU 43 -1.724 -1.899 -1.450 320 HD23 LEU 43 2HD2 LEU 43 -1.481 -0.526 -0.370 321 H GLU 44 H GLU 44 -6.077 -3.842 0.506 322 HA GLU 44 HA GLU 44 -5.864 -4.071 3.329 323 HB2 GLU 44 2HB GLU 44 -8.027 -3.715 2.258 324 HB3 GLU 44 3HB GLU 44 -7.914 -5.270 1.448 325 HG2 GLU 44 2HG GLU 44 -8.033 -6.429 3.578 326 HG3 GLU 44 3HG GLU 44 -8.033 -4.891 4.439 327 H GLN 45 H GLN 45 -5.767 -6.539 0.749 328 HA GLN 45 HA GLN 45 -5.588 -8.812 2.355 329 HB2 GLN 45 2HB GLN 45 -4.353 -8.270 -0.356 330 HB3 GLN 45 3HB GLN 45 -4.408 -9.859 0.395 331 HG2 GLN 45 2HG GLN 45 -6.842 -9.803 0.374 332 HG3 GLN 45 3HG GLN 45 -6.810 -8.188 -0.332 333 HE21 GLN 45 1HE2 GLN 45 -7.938 -8.850 -2.156 334 HE22 GLN 45 2HE2 GLN 45 -7.231 -9.836 -3.381 335 H GLY 46 H GLY 46 -2.890 -6.895 0.994 336 HA2 GLY 46 2HA GLY 46 -0.816 -8.268 2.331 337 HA3 GLY 46 3HA GLY 46 -0.716 -6.634 1.699 338 H ALA 47 H ALA 47 -2.761 -5.475 3.345 339 HA ALA 47 HA ALA 47 -1.306 -4.688 5.582 340 HB1 ALA 47 3HB ALA 47 -3.203 -3.422 4.663 341 HB2 ALA 47 1HB ALA 47 -3.360 -3.674 6.401 342 HB3 ALA 47 2HB ALA 47 -4.314 -4.646 5.279 343 H ASN 48 H ASN 48 -4.170 -6.854 5.614 344 HA ASN 48 HA ASN 48 -3.934 -7.633 8.305 345 HB2 ASN 48 2HB ASN 48 -5.171 -9.148 5.990 346 HB3 ASN 48 3HB ASN 48 -5.398 -9.547 7.689 347 HD21 ASN 48 1HD2 ASN 48 -6.217 -7.373 5.137 348 HD22 ASN 48 2HD2 ASN 48 -7.450 -6.518 5.989 349 H ALA 49 H ALA 49 -2.563 -9.067 5.374 350 HA ALA 49 HA ALA 49 -1.524 -11.424 6.467 351 HB1 ALA 49 3HB ALA 49 -0.035 -11.463 4.533 352 HB2 ALA 49 1HB ALA 49 -0.410 -9.770 4.201 353 HB3 ALA 49 2HB ALA 49 -1.671 -10.996 4.067 354 H HIS 50 H HIS 50 -0.281 -8.139 6.597 355 HA HIS 50 HA HIS 50 2.202 -9.075 7.885 356 HB2 HIS 50 2HB HIS 50 1.449 -6.370 6.758 357 HB3 HIS 50 3HB HIS 50 2.968 -6.711 7.578 358 HD1 HIS 50 HD1 HIS 50 4.791 -7.017 5.950 359 HD2 HIS 50 HD2 HIS 50 1.185 -8.466 4.476 360 HE1 HIS 50 HE1 HIS 50 5.298 -7.873 3.647 361 HE2 HIS 50 HE2 HIS 50 3.071 -8.577 2.714 362 H GLY 51 H GLY 51 -0.784 -8.376 8.920 363 HA2 GLY 51 2HA GLY 51 -1.550 -8.068 11.084 364 HA3 GLY 51 3HA GLY 51 0.105 -7.809 11.604 365 H LEU 52 H LEU 52 -1.538 -5.966 9.094 366 HA LEU 52 HA LEU 52 -1.302 -3.543 10.771 367 HB2 LEU 52 2HB LEU 52 -1.090 -3.746 7.763 368 HB3 LEU 52 3HB LEU 52 -0.845 -2.302 8.728 369 HG LEU 52 HG LEU 52 0.906 -4.758 8.924 370 HD11 LEU 52 1HD1 LEU 52 2.541 -3.520 7.598 371 HD12 LEU 52 2HD1 LEU 52 1.377 -2.214 7.369 372 HD13 LEU 52 3HD1 LEU 52 1.062 -3.809 6.684 373 HD21 LEU 52 3HD2 LEU 52 1.268 -1.934 9.943 374 HD22 LEU 52 1HD2 LEU 52 2.455 -3.235 10.064 375 HD23 LEU 52 2HD2 LEU 52 0.919 -3.361 10.921 376 H ASN 53 H ASN 53 -2.827 -1.773 10.199 377 HA ASN 53 HA ASN 53 -5.448 -2.808 9.353 378 HB2 ASN 53 2HB ASN 53 -5.287 -1.543 11.512 379 HB3 ASN 53 3HB ASN 53 -4.793 -0.121 10.599 380 HD21 ASN 53 1HD2 ASN 53 -7.099 -0.393 12.276 381 HD22 ASN 53 2HD2 ASN 53 -8.482 -0.133 11.274 382 H VAL 54 H VAL 54 -6.084 -2.475 7.316 383 HA VAL 54 HA VAL 54 -4.666 -1.098 5.375 384 HB VAL 54 HB VAL 54 -6.352 -2.760 4.808 385 HG11 VAL 54 1HG1 VAL 54 -8.037 -2.235 6.496 386 HG12 VAL 54 2HG1 VAL 54 -8.754 -2.256 4.885 387 HG13 VAL 54 3HG1 VAL 54 -8.406 -0.717 5.674 388 HG21 VAL 54 3HG2 VAL 54 -6.957 -0.055 3.602 389 HG22 VAL 54 1HG2 VAL 54 -7.415 -1.609 2.905 390 HG23 VAL 54 2HG2 VAL 54 -5.711 -1.185 3.072 391 H GLU 55 H GLU 55 -7.294 0.105 7.425 392 HA GLU 55 HA GLU 55 -7.720 2.569 6.126 393 HB2 GLU 55 2HB GLU 55 -8.090 1.893 9.058 394 HB3 GLU 55 3HB GLU 55 -8.794 3.274 8.227 395 HG2 GLU 55 2HG GLU 55 -10.064 1.734 6.779 396 HG3 GLU 55 3HG GLU 55 -9.389 0.371 7.667 397 H ASP 56 H ASP 56 -5.571 1.691 8.814 398 HA ASP 56 HA ASP 56 -4.583 4.267 9.376 399 HB2 ASP 56 2HB ASP 56 -4.332 2.320 10.884 400 HB3 ASP 56 3HB ASP 56 -3.203 1.591 9.744 401 H ILE 57 H ILE 57 -3.620 1.852 7.012 402 HA ILE 57 HA ILE 57 -1.260 3.218 6.123 403 HB ILE 57 HB ILE 57 -2.913 1.122 4.684 404 HG12 ILE 57 2HG1 ILE 57 -0.443 0.784 6.415 405 HG13 ILE 57 3HG1 ILE 57 -2.083 0.381 6.909 406 HG21 ILE 57 1HG2 ILE 57 -0.885 0.690 3.381 407 HG22 ILE 57 2HG2 ILE 57 -0.059 2.004 4.218 408 HG23 ILE 57 3HG2 ILE 57 -1.434 2.353 3.170 409 HD11 ILE 57 3HD1 ILE 57 -0.536 -0.913 4.673 410 HD12 ILE 57 1HD1 ILE 57 -2.187 -1.312 5.148 411 HD13 ILE 57 2HD1 ILE 57 -0.856 -1.600 6.266 412 H LEU 58 H LEU 58 -4.546 2.860 4.726 413 HA LEU 58 HA LEU 58 -4.283 4.534 2.520 414 HB2 LEU 58 2HB LEU 58 -6.712 4.125 4.274 415 HB3 LEU 58 3HB LEU 58 -6.743 4.872 2.687 416 HG LEU 58 HG LEU 58 -6.000 2.001 3.285 417 HD11 LEU 58 1HD1 LEU 58 -8.418 3.189 1.923 418 HD12 LEU 58 2HD1 LEU 58 -8.385 2.432 3.516 419 HD13 LEU 58 3HD1 LEU 58 -8.063 1.469 2.075 420 HD21 LEU 58 3HD2 LEU 58 -5.928 1.720 0.851 421 HD22 LEU 58 1HD2 LEU 58 -4.706 2.867 1.403 422 HD23 LEU 58 2HD2 LEU 58 -6.185 3.452 0.640 423 H ARG 59 H ARG 59 -4.799 5.334 5.878 424 HA ARG 59 HA ARG 59 -5.466 8.003 5.843 425 HB2 ARG 59 2HB ARG 59 -5.300 6.857 7.919 426 HB3 ARG 59 3HB ARG 59 -3.625 6.417 7.631 427 HG2 ARG 59 2HG ARG 59 -3.147 8.942 7.732 428 HG3 ARG 59 3HG ARG 59 -4.758 9.076 8.443 429 HD2 ARG 59 2HD ARG 59 -2.971 8.917 10.147 430 HD3 ARG 59 3HD ARG 59 -4.125 7.585 10.246 431 HE ARG 59 HE ARG 59 -2.428 6.237 9.020 432 HH11 ARG 59 1HH1 ARG 59 -1.456 8.959 10.896 433 HH12 ARG 59 2HH1 ARG 59 0.163 8.386 11.077 434 HH21 ARG 59 1HH2 ARG 59 -0.348 5.508 9.280 435 HH22 ARG 59 2HH2 ARG 59 0.782 6.463 10.179 436 H ASP 60 H ASP 60 -2.126 6.712 5.833 437 HA ASP 60 HA ASP 60 -0.957 9.289 5.428 438 HB2 ASP 60 2HB ASP 60 0.108 7.262 6.583 439 HB3 ASP 60 3HB ASP 60 0.420 6.640 4.965 440 H LEU 61 H LEU 61 -1.683 6.527 3.320 441 HA LEU 61 HA LEU 61 -0.363 7.341 1.005 442 HB2 LEU 61 2HB LEU 61 -2.965 5.826 1.252 443 HB3 LEU 61 3HB LEU 61 -2.014 5.942 -0.216 444 HG LEU 61 HG LEU 61 -1.187 4.581 2.354 445 HD11 LEU 61 1HD1 LEU 61 -2.825 3.323 1.058 446 HD12 LEU 61 2HD1 LEU 61 -1.247 2.541 1.002 447 HD13 LEU 61 3HD1 LEU 61 -1.820 3.470 -0.384 448 HD21 LEU 61 3HD2 LEU 61 0.744 5.636 1.329 449 HD22 LEU 61 1HD2 LEU 61 0.340 4.916 -0.230 450 HD23 LEU 61 2HD2 LEU 61 0.821 3.887 1.120 451 H ASN 62 H ASN 62 -3.788 7.971 1.877 452 HA ASN 62 HA ASN 62 -4.242 9.695 -0.339 453 HB2 ASN 62 2HB ASN 62 -5.748 9.315 2.255 454 HB3 ASN 62 3HB ASN 62 -6.270 10.448 1.012 455 HD21 ASN 62 1HD2 ASN 62 -6.059 7.134 1.934 456 HD22 ASN 62 2HD2 ASN 62 -6.931 6.487 0.591 457 H ALA 63 H ALA 63 -3.075 10.236 2.936 458 HA ALA 63 HA ALA 63 -3.189 13.039 3.006 459 HB1 ALA 63 3HB ALA 63 -1.148 11.231 4.305 460 HB2 ALA 63 1HB ALA 63 -2.711 11.685 4.985 461 HB3 ALA 63 2HB ALA 63 -1.468 12.912 4.738 462 H LEU 64 H LEU 64 -1.005 10.897 1.321 463 HA LEU 64 HA LEU 64 1.024 12.796 0.704 464 HB2 LEU 64 2HB LEU 64 0.155 10.325 -0.808 465 HB3 LEU 64 3HB LEU 64 1.628 11.224 -1.120 466 HG LEU 64 HG LEU 64 0.992 9.775 1.459 467 HD11 LEU 64 1HD1 LEU 64 2.685 8.172 0.761 468 HD12 LEU 64 2HD1 LEU 64 2.891 9.032 -0.766 469 HD13 LEU 64 3HD1 LEU 64 1.361 8.231 -0.403 470 HD21 LEU 64 3HD2 LEU 64 3.525 11.135 0.533 471 HD22 LEU 64 1HD2 LEU 64 3.330 10.213 2.024 472 HD23 LEU 64 2HD2 LEU 64 2.439 11.717 1.796 473 H ALA 65 H ALA 65 -2.041 11.960 -0.829 474 HA ALA 65 HA ALA 65 -1.561 13.506 -3.216 475 HB1 ALA 65 3HB ALA 65 -4.141 12.331 -2.170 476 HB2 ALA 65 1HB ALA 65 -3.006 11.527 -3.255 477 HB3 ALA 65 2HB ALA 65 -3.871 12.965 -3.794 478 H LEU 66 H LEU 66 -3.128 14.046 -0.136 479 HA LEU 66 HA LEU 66 -4.273 16.596 -0.960 480 HB2 LEU 66 2HB LEU 66 -4.258 15.213 1.729 481 HB3 LEU 66 3HB LEU 66 -5.177 16.655 1.335 482 HG LEU 66 HG LEU 66 -5.578 13.950 0.036 483 HD11 LEU 66 1HD1 LEU 66 -7.243 15.347 2.133 484 HD12 LEU 66 2HD1 LEU 66 -6.239 13.920 2.390 485 HD13 LEU 66 3HD1 LEU 66 -7.643 13.829 1.327 486 HD21 LEU 66 3HD2 LEU 66 -7.612 14.954 -0.888 487 HD22 LEU 66 1HD2 LEU 66 -6.168 15.806 -1.434 488 HD23 LEU 66 2HD2 LEU 66 -7.178 16.506 -0.168 489 H GLU 67 H GLU 67 -1.818 15.447 1.336 490 HA GLU 67 HA GLU 67 -0.185 16.439 2.524 491 HB2 GLU 67 2HB GLU 67 -0.362 18.504 0.329 492 HB3 GLU 67 3HB GLU 67 0.852 18.546 1.602 493 HG2 GLU 67 2HG GLU 67 1.566 16.254 0.879 494 HG3 GLU 67 3HG GLU 67 0.482 16.423 -0.503 495 H HIS 68 H HIS 68 -1.191 16.792 4.429 496 HA HIS 68 HA HIS 68 -2.423 19.450 4.854 497 HB2 HIS 68 2HB HIS 68 -3.716 18.496 6.668 498 HB3 HIS 68 3HB HIS 68 -3.949 17.515 5.229 499 HD1 HIS 68 HD1 HIS 68 -3.817 16.955 8.601 500 HD2 HIS 68 HD2 HIS 68 -1.637 15.333 5.462 501 HE1 HIS 68 HE1 HIS 68 -2.900 14.791 9.469 502 HE2 HIS 68 HE2 HIS 68 -1.371 13.983 7.649 503 H HIS 69 H HIS 69 -1.365 20.847 6.137 504 HA HIS 69 HA HIS 69 0.967 19.914 7.631 505 HB2 HIS 69 2HB HIS 69 -0.023 22.720 7.065 506 HB3 HIS 69 3HB HIS 69 1.486 22.320 7.886 507 HD1 HIS 69 HD1 HIS 69 0.032 22.797 4.565 508 HD2 HIS 69 HD2 HIS 69 3.396 20.953 6.164 509 HE1 HIS 69 HE1 HIS 69 1.565 22.390 2.618 510 HE2 HIS 69 HE2 HIS 69 3.509 21.123 3.587 511 H HIS 70 H HIS 70 1.056 19.738 9.794 512 HA HIS 70 HA HIS 70 -1.449 19.905 11.222 513 HB2 HIS 70 2HB HIS 70 0.129 17.979 11.425 514 HB3 HIS 70 3HB HIS 70 1.263 19.041 12.251 515 HD1 HIS 70 HD1 HIS 70 -2.075 17.373 12.696 516 HD2 HIS 70 HD2 HIS 70 0.714 19.481 14.939 517 HE1 HIS 70 HE1 HIS 70 -2.815 17.134 15.075 518 HE2 HIS 70 HE2 HIS 70 -0.989 18.220 16.420 519 H HIS 71 H HIS 71 1.553 21.729 11.185 520 HA HIS 71 HA HIS 71 1.031 23.170 13.617 521 HB2 HIS 71 2HB HIS 71 2.928 23.756 11.325 522 HB3 HIS 71 3HB HIS 71 2.875 24.671 12.829 523 HD1 HIS 71 HD1 HIS 71 5.412 23.126 11.883 524 HD2 HIS 71 HD2 HIS 71 2.604 21.670 14.579 525 HE1 HIS 71 HE1 HIS 71 6.612 21.384 13.229 526 HE2 HIS 71 HE2 HIS 71 4.866 20.436 14.770 527 H HIS 72 H HIS 72 -0.167 24.975 13.925 528 HA HIS 72 HA HIS 72 -1.923 25.874 11.886 529 HB2 HIS 72 2HB HIS 72 -1.307 27.003 14.619 530 HB3 HIS 72 3HB HIS 72 -2.551 27.656 13.559 531 HD1 HIS 72 HD1 HIS 72 -2.502 25.777 16.415 532 HD2 HIS 72 HD2 HIS 72 -4.163 25.054 12.673 533 HE1 HIS 72 HE1 HIS 72 -4.324 24.093 16.796 534 HE2 HIS 72 HE2 HIS 72 -5.397 23.776 14.546 535 H HIS 73 H HIS 73 -0.878 26.732 10.128 536 HA HIS 73 HA HIS 73 0.423 29.355 10.554 537 HB2 HIS 73 2HB HIS 73 0.761 27.395 8.268 538 HB3 HIS 73 3HB HIS 73 1.416 29.028 8.270 539 HD1 HIS 73 HD1 HIS 73 3.417 29.496 9.867 540 HD2 HIS 73 HD2 HIS 73 2.182 25.532 9.783 541 HE1 HIS 73 HE1 HIS 73 5.263 28.199 10.960 542 HE2 HIS 73 HE2 HIS 73 4.550 25.795 10.788
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