NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6225 | 1imu | 5055 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 6.514 -4.731 -10.264 2 2H MET 1 HT2 MET 1 7.692 -5.616 -9.388 3 3H MET 1 HT3 MET 1 7.518 -3.928 -9.131 4 HA MET 1 HA MET 1 5.896 -6.153 -8.213 5 1HB MET 1 HB2 MET 1 6.941 -3.540 -7.122 6 2HB MET 1 HB1 MET 1 5.769 -4.514 -6.248 7 1HG MET 1 HG2 MET 1 7.861 -5.077 -5.358 8 2HG MET 1 HG1 MET 1 7.413 -6.419 -6.408 9 1HE MET 1 HE1 MET 1 8.847 -7.088 -8.658 10 2HE MET 1 HE2 MET 1 9.346 -7.551 -7.031 11 3HE MET 1 HE3 MET 1 10.543 -6.969 -8.189 12 H THR 2 HN THR 2 3.794 -6.225 -8.636 13 HA THR 2 HA THR 2 2.382 -3.700 -9.197 14 HB THR 2 HB THR 2 0.891 -4.904 -10.643 15 HG1 THR 2 HG1 THR 2 2.300 -7.259 -9.939 16 H LEU 3 HN LEU 3 0.710 -3.160 -7.943 17 HA LEU 3 HA LEU 3 0.130 -4.679 -5.601 18 1HB LEU 3 HB2 LEU 3 0.052 -2.264 -5.547 19 2HB LEU 3 HB1 LEU 3 -1.190 -2.240 -6.786 20 HG LEU 3 HG LEU 3 -1.716 -3.631 -4.187 21 H ASN 4 HN ASN 4 -0.916 -6.557 -5.802 22 HA ASN 4 HA ASN 4 -2.987 -6.922 -7.781 23 1HB ASN 4 HB2 ASN 4 -2.176 -8.835 -5.598 24 2HB ASN 4 HB1 ASN 4 -3.027 -9.211 -7.090 25 H ILE 5 HN ILE 5 -5.104 -7.786 -7.237 26 HA ILE 5 HA ILE 5 -6.131 -6.759 -4.674 27 HB ILE 5 HB ILE 5 -8.312 -6.705 -6.388 28 H THR 6 HN THR 6 -8.146 -7.747 -3.972 29 HA THR 6 HA THR 6 -8.485 -10.504 -4.942 30 HB THR 6 HB THR 6 -8.744 -9.672 -2.049 31 HG1 THR 6 HG1 THR 6 -6.686 -9.949 -1.816 32 H SER 7 HN SER 7 -9.945 -7.970 -2.938 33 HA SER 7 HA SER 7 -12.122 -7.426 -2.527 34 1HB SER 7 HB2 SER 7 -12.557 -7.785 -5.473 35 2HB SER 7 HB1 SER 7 -13.176 -6.530 -4.405 36 HG SER 7 HG SER 7 -11.064 -5.702 -4.257 37 H LYS 8 HN LYS 8 -13.049 -9.033 -1.351 38 HA LYS 8 HA LYS 8 -13.830 -11.541 -2.297 39 1HB LYS 8 HB2 LYS 8 -14.932 -11.840 -0.243 40 2HB LYS 8 HB1 LYS 8 -13.610 -10.740 0.118 41 1HG LYS 8 HG2 LYS 8 -15.426 -8.902 -0.319 42 2HG LYS 8 HG1 LYS 8 -16.539 -10.224 0.037 43 1HD LYS 8 HD2 LYS 8 -14.258 -9.828 1.891 44 2HD LYS 8 HD1 LYS 8 -15.554 -8.631 1.934 45 1HE LYS 8 HE2 LYS 8 -16.979 -10.936 1.908 46 2HE LYS 8 HE1 LYS 8 -15.540 -11.445 2.789 47 1HZ LYS 8 HZ1 LYS 8 -17.152 -9.054 3.492 48 2HZ LYS 8 HZ2 LYS 8 -15.888 -9.731 4.390 49 3HZ LYS 8 HZ3 LYS 8 -17.346 -10.571 4.216 50 H GLN 9 HN GLN 9 -15.584 -8.474 -2.245 51 HA GLN 9 HA GLN 9 -17.755 -9.796 -3.728 52 1HB GLN 9 HB2 GLN 9 -19.042 -7.647 -2.855 53 2HB GLN 9 HB1 GLN 9 -18.911 -9.107 -1.887 54 1HG GLN 9 HG2 GLN 9 -17.258 -8.179 -0.509 55 2HG GLN 9 HG1 GLN 9 -16.947 -6.855 -1.631 56 H MET 10 HN MET 10 -17.519 -6.318 -3.341 57 HA MET 10 HA MET 10 -17.999 -5.639 -5.930 58 1HB MET 10 HB2 MET 10 -16.794 -3.485 -5.426 59 2HB MET 10 HB1 MET 10 -18.052 -3.942 -4.290 60 1HG MET 10 HG2 MET 10 -16.576 -4.372 -2.605 61 2HG MET 10 HG1 MET 10 -15.261 -4.761 -3.711 62 1HE MET 10 HE1 MET 10 -15.916 -2.456 -1.009 63 2HE MET 10 HE2 MET 10 -14.429 -1.569 -1.344 64 3HE MET 10 HE3 MET 10 -14.431 -3.331 -1.369 65 H ASP 11 HN ASP 11 -16.976 -6.257 -7.734 66 HA ASP 11 HA ASP 11 -14.349 -7.218 -7.835 67 1HB ASP 11 HB2 ASP 11 -15.883 -6.015 -10.147 68 2HB ASP 11 HB1 ASP 11 -14.577 -7.193 -10.237 69 H ILE 12 HN ILE 12 -12.730 -6.163 -9.513 70 HA ILE 12 HA ILE 12 -12.206 -3.483 -8.462 71 HB ILE 12 HB ILE 12 -10.101 -4.251 -10.206 72 H THR 13 HN THR 13 -11.791 -1.715 -9.758 73 HA THR 13 HA THR 13 -12.304 -1.943 -12.622 74 HB THR 13 HB THR 13 -13.689 0.337 -12.010 75 HG1 THR 13 HG1 THR 13 -14.614 0.179 -10.135 76 HA PRO 14 HA PRO 14 -9.351 1.213 -13.548 77 1HB PRO 14 HB2 PRO 14 -11.595 3.176 -13.822 78 2HB PRO 14 HB1 PRO 14 -10.194 2.927 -14.872 79 1HG PRO 14 HG2 PRO 14 -12.575 1.943 -15.541 80 2HG PRO 14 HG1 PRO 14 -11.091 1.019 -15.841 81 1HD PRO 14 HD2 PRO 14 -13.211 0.582 -13.819 82 2HD PRO 14 HD1 PRO 14 -12.107 -0.586 -14.568 83 H ALA 15 HN ALA 15 -12.024 2.664 -11.664 84 HA ALA 15 HA ALA 15 -10.576 4.636 -10.364 85 1HB ALA 15 HB1 ALA 15 -12.925 3.053 -9.320 86 2HB ALA 15 HB2 ALA 15 -12.996 4.542 -10.261 87 3HB ALA 15 HB3 ALA 15 -12.329 4.563 -8.629 88 H ILE 16 HN ILE 16 -11.625 1.675 -8.673 89 HA ILE 16 HA ILE 16 -9.863 1.809 -6.551 90 HB ILE 16 HB ILE 16 -11.219 -0.486 -7.922 91 H ARG 17 HN ARG 17 -9.420 -0.325 -9.377 92 HA ARG 17 HA ARG 17 -6.918 -1.237 -9.027 93 1HB ARG 17 HB2 ARG 17 -8.463 -1.614 -11.010 94 2HB ARG 17 HB1 ARG 17 -7.791 -0.143 -11.700 95 1HG ARG 17 HG2 ARG 17 -5.546 -1.163 -11.603 96 2HG ARG 17 HG1 ARG 17 -6.280 -2.654 -11.009 97 1HD ARG 17 HD2 ARG 17 -7.724 -1.938 -13.307 98 2HD ARG 17 HD1 ARG 17 -6.024 -1.692 -13.705 99 HE ARG 17 HE ARG 17 -6.577 -4.210 -12.425 100 1HH1 ARG 17 HH11 ARG 17 -6.405 -2.512 -15.470 101 2HH1 ARG 17 HH12 ARG 17 -6.153 -3.951 -16.400 102 1HH2 ARG 17 HH21 ARG 17 -6.245 -6.102 -13.647 103 2HH2 ARG 17 HH22 ARG 17 -6.062 -5.989 -15.365 104 H GLU 18 HN GLU 18 -7.560 1.765 -10.854 105 HA GLU 18 HA GLU 18 -4.905 2.618 -11.028 106 1HB GLU 18 HB2 GLU 18 -6.692 3.567 -12.405 107 2HB GLU 18 HB1 GLU 18 -7.443 4.268 -10.977 108 1HG GLU 18 HG2 GLU 18 -6.128 6.054 -11.051 109 2HG GLU 18 HG1 GLU 18 -4.676 5.073 -11.239 110 H HIS 19 HN HIS 19 -7.352 3.150 -8.543 111 HA HIS 19 HA HIS 19 -5.967 5.060 -7.018 112 1HB HIS 19 HB2 HIS 19 -8.418 4.234 -6.861 113 2HB HIS 19 HB1 HIS 19 -7.771 2.955 -5.844 114 HD1 HIS 19 HD1 HIS 19 -6.544 6.515 -5.646 115 HD2 HIS 19 HD2 HIS 19 -8.935 3.835 -3.588 116 HE1 HIS 19 HE1 HIS 19 -7.052 7.635 -3.448 117 HE2 HIS 19 HE2 HIS 19 -8.600 6.037 -2.260 118 H LEU 20 HN LEU 20 -6.442 1.633 -6.196 119 HA LEU 20 HA LEU 20 -4.523 1.333 -4.262 120 1HB LEU 20 HB2 LEU 20 -4.837 -0.823 -6.301 121 2HB LEU 20 HB1 LEU 20 -4.678 -0.946 -4.558 122 HG LEU 20 HG LEU 20 -7.138 0.010 -6.017 123 H GLU 21 HN GLU 21 -4.072 0.848 -7.760 124 HA GLU 21 HA GLU 21 -1.355 0.235 -7.730 125 1HB GLU 21 HB2 GLU 21 -3.092 1.581 -9.794 126 2HB GLU 21 HB1 GLU 21 -1.391 1.247 -10.087 127 1HG GLU 21 HG2 GLU 21 -1.905 -1.165 -9.544 128 2HG GLU 21 HG1 GLU 21 -3.607 -0.721 -9.615 129 H GLU 22 HN GLU 22 -2.903 3.405 -8.253 130 HA GLU 22 HA GLU 22 -0.609 4.962 -8.383 131 1HB GLU 22 HB2 GLU 22 -3.408 5.529 -7.454 132 2HB GLU 22 HB1 GLU 22 -2.167 6.768 -7.334 133 1HG GLU 22 HG2 GLU 22 -2.026 5.694 -9.941 134 2HG GLU 22 HG1 GLU 22 -3.726 6.000 -9.587 135 H ARG 23 HN ARG 23 -2.459 3.894 -5.558 136 HA ARG 23 HA ARG 23 -1.016 5.290 -3.602 137 1HB ARG 23 HB2 ARG 23 -2.630 2.756 -3.545 138 2HB ARG 23 HB1 ARG 23 -1.792 3.329 -2.110 139 1HG ARG 23 HG2 ARG 23 -3.999 4.693 -3.623 140 2HG ARG 23 HG1 ARG 23 -4.013 4.104 -1.963 141 1HD ARG 23 HD2 ARG 23 -1.996 5.795 -1.723 142 2HD ARG 23 HD1 ARG 23 -2.788 6.562 -3.099 143 HE ARG 23 HE ARG 23 -4.733 6.061 -1.164 144 1HH1 ARG 23 HH11 ARG 23 -1.885 8.037 -1.574 145 2HH1 ARG 23 HH12 ARG 23 -2.450 9.291 -0.523 146 1HH2 ARG 23 HH21 ARG 23 -5.479 7.710 0.218 147 2HH2 ARG 23 HH22 ARG 23 -4.490 9.106 0.495 148 H LEU 24 HN LEU 24 -0.569 2.046 -4.974 149 HA LEU 24 HA LEU 24 1.640 1.294 -3.409 150 1HB LEU 24 HB2 LEU 24 0.416 -0.318 -4.758 151 2HB LEU 24 HB1 LEU 24 0.896 0.508 -6.229 152 HG LEU 24 HG LEU 24 3.331 -0.047 -5.237 153 H ALA 25 HN ALA 25 1.478 2.763 -6.645 154 HA ALA 25 HA ALA 25 4.219 3.074 -7.074 155 1HB ALA 25 HB1 ALA 25 3.073 3.532 -8.989 156 2HB ALA 25 HB2 ALA 25 3.293 5.185 -8.414 157 3HB ALA 25 HB3 ALA 25 1.763 4.353 -8.139 158 H LYS 26 HN LYS 26 1.927 4.935 -5.209 159 HA LYS 26 HA LYS 26 3.629 7.183 -4.758 160 1HB LYS 26 HB2 LYS 26 1.105 7.159 -4.538 161 2HB LYS 26 HB1 LYS 26 1.320 6.269 -3.037 162 1HG LYS 26 HG2 LYS 26 1.744 8.127 -1.904 163 2HG LYS 26 HG1 LYS 26 2.959 8.643 -3.075 164 1HD LYS 26 HD2 LYS 26 1.552 10.084 -4.048 165 2HD LYS 26 HD1 LYS 26 0.242 8.903 -4.087 166 1HE LYS 26 HE2 LYS 26 -0.677 9.667 -2.176 167 2HE LYS 26 HE1 LYS 26 0.889 9.971 -1.425 168 1HZ LYS 26 HZ1 LYS 26 -0.632 11.712 -3.264 169 2HZ LYS 26 HZ2 LYS 26 1.027 11.929 -3.022 170 3HZ LYS 26 HZ3 LYS 26 -0.043 12.068 -1.719 171 H LEU 27 HN LEU 27 2.920 4.173 -3.059 172 HA LEU 27 HA LEU 27 4.561 4.824 -0.802 173 1HB LEU 27 HB2 LEU 27 2.937 2.509 -1.663 174 2HB LEU 27 HB1 LEU 27 4.315 2.127 -0.647 175 HG LEU 27 HG LEU 27 2.002 3.941 0.038 176 H GLY 28 HN GLY 28 5.252 3.936 -3.959 177 1HA GLY 28 HA2 GLY 28 7.453 2.193 -3.610 178 2HA GLY 28 HA1 GLY 28 7.166 3.213 -5.010 179 H LYS 29 HN LYS 29 7.165 5.687 -3.568 180 HA LYS 29 HA LYS 29 9.913 6.312 -3.643 181 1HB LYS 29 HB2 LYS 29 8.371 8.053 -4.101 182 2HB LYS 29 HB1 LYS 29 7.475 7.759 -2.621 183 1HG LYS 29 HG2 LYS 29 9.822 8.439 -1.548 184 2HG LYS 29 HG1 LYS 29 9.946 9.312 -3.072 185 1HD LYS 29 HD2 LYS 29 8.748 10.925 -2.104 186 2HD LYS 29 HD1 LYS 29 7.367 9.835 -2.216 187 1HE LYS 29 HE2 LYS 29 7.303 9.544 -0.002 188 2HE LYS 29 HE1 LYS 29 9.036 9.235 0.079 189 1HZ LYS 29 HZ1 LYS 29 7.570 11.702 0.524 190 2HZ LYS 29 HZ2 LYS 29 9.026 11.862 -0.323 191 3HZ LYS 29 HZ3 LYS 29 9.017 11.160 1.215 192 H TRP 30 HN TRP 30 7.874 5.128 -1.124 193 HA TRP 30 HA TRP 30 9.302 6.008 1.084 194 1HB TRP 30 HB2 TRP 30 7.238 3.916 0.579 195 2HB TRP 30 HB1 TRP 30 8.065 3.968 2.127 196 HD1 TRP 30 HD1 TRP 30 5.757 6.139 -0.070 197 HE1 TRP 30 HE1 TRP 30 4.554 7.823 1.463 198 HE3 TRP 30 HE3 TRP 30 8.169 5.103 4.291 199 HZ2 TRP 30 HZ2 TRP 30 4.635 8.607 4.185 200 HZ3 TRP 30 HZ3 TRP 30 7.568 6.366 6.307 201 HH2 TRP 30 HH2 TRP 30 5.837 8.082 6.255 202 H GLN 31 HN GLN 31 10.630 4.919 2.426 203 HA GLN 31 HA GLN 31 12.740 3.454 1.288 204 1HB GLN 31 HB2 GLN 31 11.889 3.933 4.142 205 2HB GLN 31 HB1 GLN 31 13.314 2.983 3.748 206 1HG GLN 31 HG2 GLN 31 13.720 5.377 4.343 207 2HG GLN 31 HG1 GLN 31 14.412 4.845 2.810 208 H THR 32 HN THR 32 11.114 1.861 0.247 209 HA THR 32 HA THR 32 11.319 -0.620 1.639 210 HB THR 32 HB THR 32 8.670 0.788 1.383 211 HG1 THR 32 HG1 THR 32 10.053 -0.485 3.500 212 H GLN 33 HN GLN 33 10.445 -2.405 0.401 213 HA GLN 33 HA GLN 33 10.004 -1.870 -2.443 214 1HB GLN 33 HB2 GLN 33 11.319 -4.122 -2.734 215 2HB GLN 33 HB1 GLN 33 12.184 -2.597 -2.641 216 1HG GLN 33 HG2 GLN 33 11.698 -4.114 -0.137 217 2HG GLN 33 HG1 GLN 33 12.942 -4.685 -1.248 218 H LEU 34 HN LEU 34 7.883 -2.283 -2.280 219 HA LEU 34 HA LEU 34 6.572 -4.064 -0.723 220 1HB LEU 34 HB2 LEU 34 5.758 -3.442 -3.549 221 2HB LEU 34 HB1 LEU 34 4.714 -3.905 -2.223 222 HG LEU 34 HG LEU 34 4.308 -1.693 -2.098 223 H ILE 35 HN ILE 35 7.378 -6.046 -0.435 224 HA ILE 35 HA ILE 35 8.094 -7.798 -2.587 225 HB ILE 35 HB ILE 35 7.648 -8.294 0.359 226 H SER 36 HN SER 36 6.254 -7.928 -3.903 227 HA SER 36 HA SER 36 4.241 -8.734 -4.635 228 1HB SER 36 HB2 SER 36 5.035 -10.911 -3.977 229 2HB SER 36 HB1 SER 36 4.723 -10.575 -2.274 230 HG SER 36 HG SER 36 3.035 -11.805 -3.015 231 HA PRO 37 HA PRO 37 1.750 -6.324 -1.727 232 1HB PRO 37 HB2 PRO 37 1.041 -4.415 -3.488 233 2HB PRO 37 HB1 PRO 37 2.616 -4.437 -2.693 234 1HG PRO 37 HG2 PRO 37 1.944 -5.004 -5.492 235 2HG PRO 37 HG1 PRO 37 3.502 -4.583 -4.784 236 1HD PRO 37 HD2 PRO 37 2.452 -7.179 -5.504 237 2HD PRO 37 HD1 PRO 37 4.080 -6.750 -4.952 238 H HIS 38 HN HIS 38 -0.365 -6.429 -1.308 239 HA HIS 38 HA HIS 38 -2.248 -7.097 -3.450 240 1HB HIS 38 HB2 HIS 38 -1.534 -8.741 -1.197 241 2HB HIS 38 HB1 HIS 38 -3.228 -8.313 -1.120 242 HD1 HIS 38 HD1 HIS 38 -1.227 -10.907 -2.259 243 HD2 HIS 38 HD2 HIS 38 -4.375 -8.800 -3.953 244 HE1 HIS 38 HE1 HIS 38 -2.190 -12.432 -4.012 245 HE2 HIS 38 HE2 HIS 38 -4.018 -11.087 -5.108 246 H PHE 39 HN PHE 39 -4.528 -6.897 -2.587 247 HA PHE 39 HA PHE 39 -4.893 -5.003 -0.460 248 1HB PHE 39 HB2 PHE 39 -4.847 -4.123 -3.206 249 2HB PHE 39 HB1 PHE 39 -6.404 -3.816 -2.446 250 HD1 PHE 39 HD1 PHE 39 -6.705 -2.076 -0.932 251 HD2 PHE 39 HD2 PHE 39 -2.772 -3.219 -2.085 252 HE1 PHE 39 HE1 PHE 39 -5.802 -0.085 0.192 253 HE2 PHE 39 HE2 PHE 39 -1.860 -1.229 -0.960 254 HZ PHE 39 HZ PHE 39 -3.380 0.341 0.181 255 H VAL 40 HN VAL 40 -6.346 -6.109 0.669 256 HA VAL 40 HA VAL 40 -8.459 -7.558 -0.681 257 HB VAL 40 HB VAL 40 -7.768 -7.308 2.252 258 H LEU 41 HN LEU 41 -9.663 -5.906 -1.539 259 HA LEU 41 HA LEU 41 -10.754 -3.819 0.160 260 1HB LEU 41 HB2 LEU 41 -9.913 -3.457 -2.180 261 2HB LEU 41 HB1 LEU 41 -11.282 -4.387 -2.748 262 HG LEU 41 HG LEU 41 -12.642 -2.586 -1.377 263 H ASN 42 HN ASN 42 -12.862 -3.620 0.782 264 HA ASN 42 HA ASN 42 -14.866 -5.399 -0.298 265 1HB ASN 42 HB2 ASN 42 -14.317 -5.473 2.666 266 2HB ASN 42 HB1 ASN 42 -15.556 -6.370 1.800 267 H LYS 43 HN LYS 43 -17.008 -4.953 0.457 268 HA LYS 43 HA LYS 43 -17.358 -2.197 1.474 269 1HB LYS 43 HB2 LYS 43 -18.118 -1.781 -0.634 270 2HB LYS 43 HB1 LYS 43 -18.376 -3.483 -0.996 271 1HG LYS 43 HG2 LYS 43 -20.472 -3.431 0.301 272 2HG LYS 43 HG1 LYS 43 -20.220 -1.718 0.627 273 1HD LYS 43 HD2 LYS 43 -19.976 -1.822 -2.101 274 2HD LYS 43 HD1 LYS 43 -21.207 -3.048 -1.790 275 1HE LYS 43 HE2 LYS 43 -22.061 -1.046 -0.180 276 2HE LYS 43 HE1 LYS 43 -21.323 -0.124 -1.489 277 1HZ LYS 43 HZ1 LYS 43 -22.725 -1.909 -2.872 278 2HZ LYS 43 HZ2 LYS 43 -23.339 -0.401 -2.414 279 3HZ LYS 43 HZ3 LYS 43 -23.709 -1.776 -1.502 280 H VAL 44 HN VAL 44 -19.634 -1.882 2.306 281 HA VAL 44 HA VAL 44 -21.117 -4.202 3.044 282 HB VAL 44 HB VAL 44 -20.991 -3.632 5.499 283 HA PRO 45 HA PRO 45 -24.596 -1.537 3.141 284 1HB PRO 45 HB2 PRO 45 -25.141 -2.528 5.902 285 2HB PRO 45 HB1 PRO 45 -26.219 -2.445 4.503 286 1HG PRO 45 HG2 PRO 45 -25.159 -4.766 5.259 287 2HG PRO 45 HG1 PRO 45 -25.335 -4.363 3.542 288 1HD PRO 45 HD2 PRO 45 -22.888 -4.388 5.242 289 2HD PRO 45 HD1 PRO 45 -23.072 -4.775 3.520 290 H ASN 46 HN ASN 46 -22.871 -1.650 6.243 291 HA ASN 46 HA ASN 46 -23.653 1.032 6.933 292 1HB ASN 46 HB2 ASN 46 -21.748 -0.914 8.239 293 2HB ASN 46 HB1 ASN 46 -22.150 0.667 8.903 294 H GLY 47 HN GLY 47 -21.535 0.094 4.657 295 1HA GLY 47 HA2 GLY 47 -20.308 2.353 4.035 296 2HA GLY 47 HA1 GLY 47 -19.372 1.877 5.434 297 H PHE 48 HN PHE 48 -17.532 1.623 4.358 298 HA PHE 48 HA PHE 48 -17.348 -0.682 2.553 299 1HB PHE 48 HB2 PHE 48 -16.039 2.001 2.357 300 2HB PHE 48 HB1 PHE 48 -15.339 0.611 1.594 301 HD1 PHE 48 HD1 PHE 48 -18.147 2.956 1.558 302 HD2 PHE 48 HD2 PHE 48 -16.303 -0.355 -0.344 303 HE1 PHE 48 HE1 PHE 48 -19.543 3.327 -0.435 304 HE2 PHE 48 HE2 PHE 48 -17.690 -0.008 -2.339 305 HZ PHE 48 HZ PHE 48 -19.307 1.838 -2.389 306 H SER 49 HN SER 49 -15.934 -2.203 3.228 307 HA SER 49 HA SER 49 -14.028 -1.428 5.322 308 1HB SER 49 HB2 SER 49 -14.169 -4.238 5.211 309 2HB SER 49 HB1 SER 49 -14.743 -3.174 6.485 310 HG SER 49 HG SER 49 -16.270 -4.706 5.255 311 H VAL 50 HN VAL 50 -12.052 -1.333 4.744 312 HA VAL 50 HA VAL 50 -11.142 -2.890 2.409 313 HB VAL 50 HB VAL 50 -9.702 -0.404 3.208 314 H GLU 51 HN GLU 51 -9.017 -3.717 2.456 315 HA GLU 51 HA GLU 51 -7.445 -3.465 4.879 316 1HB GLU 51 HB2 GLU 51 -8.916 -5.280 5.499 317 2HB GLU 51 HB1 GLU 51 -8.595 -6.102 3.986 318 1HG GLU 51 HG2 GLU 51 -6.118 -6.050 4.831 319 2HG GLU 51 HG1 GLU 51 -6.890 -5.858 6.405 320 H ALA 52 HN ALA 52 -5.421 -3.249 4.301 321 HA ALA 52 HA ALA 52 -4.596 -4.220 1.656 322 1HB ALA 52 HB1 ALA 52 -4.258 -1.895 1.807 323 2HB ALA 52 HB2 ALA 52 -2.661 -2.616 2.013 324 3HB ALA 52 HB3 ALA 52 -3.549 -2.021 3.417 325 H SER 53 HN SER 53 -2.584 -5.258 1.374 326 HA SER 53 HA SER 53 -1.105 -6.116 3.705 327 1HB SER 53 HB2 SER 53 -2.243 -8.236 1.888 328 2HB SER 53 HB1 SER 53 -1.410 -8.454 3.426 329 HG SER 53 HG SER 53 -3.980 -7.336 2.998 330 H ILE 54 HN ILE 54 0.803 -5.393 3.016 331 HA ILE 54 HA ILE 54 1.789 -6.346 0.403 332 HB ILE 54 HB ILE 54 2.894 -3.890 1.730 333 H GLY 55 HN GLY 55 4.344 -6.245 0.434 334 1HA GLY 55 HA2 GLY 55 5.247 -7.366 2.995 335 2HA GLY 55 HA1 GLY 55 5.715 -8.049 1.462 336 H THR 56 HN THR 56 7.310 -6.976 3.612 337 HA THR 56 HA THR 56 8.952 -5.207 1.999 338 HB THR 56 HB THR 56 8.952 -3.395 3.339 339 HG1 THR 56 HG1 THR 56 8.251 -4.376 5.772 340 HA PRO 57 HA PRO 57 12.199 -7.846 3.496 341 1HB PRO 57 HB2 PRO 57 13.866 -5.396 3.545 342 2HB PRO 57 HB1 PRO 57 14.148 -6.931 2.721 343 1HG PRO 57 HG2 PRO 57 13.397 -4.696 1.415 344 2HG PRO 57 HG1 PRO 57 12.934 -6.316 0.878 345 1HD PRO 57 HD2 PRO 57 11.309 -4.211 2.175 346 2HD PRO 57 HD1 PRO 57 10.821 -5.518 1.078 347 H LEU 58 HN LEU 58 11.122 -4.926 5.032 348 HA LEU 58 HA LEU 58 12.617 -5.526 7.470 349 1HB LEU 58 HB2 LEU 58 10.788 -3.210 7.400 350 2HB LEU 58 HB1 LEU 58 12.409 -3.343 8.053 351 HG LEU 58 HG LEU 58 11.708 -3.017 5.132 352 H GLY 59 HN GLY 59 9.458 -5.792 6.126 353 1HA GLY 59 HA2 GLY 59 8.397 -7.512 7.926 354 2HA GLY 59 HA1 GLY 59 8.076 -5.956 8.653 355 H ASN 60 HN ASN 60 6.514 -8.227 7.183 356 HA ASN 60 HA ASN 60 5.332 -7.250 4.881 357 1HB ASN 60 HB2 ASN 60 3.877 -8.827 7.002 358 2HB ASN 60 HB1 ASN 60 3.562 -8.807 5.273 359 H LEU 61 HN LEU 61 3.709 -5.852 4.419 360 HA LEU 61 HA LEU 61 2.785 -4.132 6.591 361 1HB LEU 61 HB2 LEU 61 2.535 -3.880 3.595 362 2HB LEU 61 HB1 LEU 61 1.868 -2.734 4.736 363 HG LEU 61 HG LEU 61 4.738 -3.202 5.100 364 H LEU 62 HN LEU 62 0.661 -3.884 7.143 365 HA LEU 62 HA LEU 62 -1.423 -5.156 5.614 366 1HB LEU 62 HB2 LEU 62 -1.122 -5.952 8.495 367 2HB LEU 62 HB1 LEU 62 -2.238 -6.597 7.314 368 HG LEU 62 HG LEU 62 0.744 -6.955 7.079 369 H ALA 63 HN ALA 63 -3.496 -4.444 6.211 370 HA ALA 63 HA ALA 63 -3.926 -2.683 8.408 371 1HB ALA 63 HB1 ALA 63 -3.249 -1.534 5.766 372 2HB ALA 63 HB2 ALA 63 -2.976 -0.895 7.387 373 3HB ALA 63 HB3 ALA 63 -4.578 -0.784 6.653 374 H SER 64 HN SER 64 -6.123 -1.735 8.367 375 HA SER 64 HA SER 64 -8.029 -2.641 6.454 376 1HB SER 64 HB2 SER 64 -9.217 -3.924 8.547 377 2HB SER 64 HB1 SER 64 -8.273 -4.730 7.294 378 HG SER 64 HG SER 64 -7.574 -4.095 9.930 379 H ALA 65 HN ALA 65 -9.819 -1.381 6.536 380 HA ALA 65 HA ALA 65 -10.554 -0.066 9.027 381 1HB ALA 65 HB1 ALA 65 -10.710 2.109 7.482 382 2HB ALA 65 HB2 ALA 65 -9.330 1.318 6.721 383 3HB ALA 65 HB3 ALA 65 -9.283 1.711 8.439 384 H THR 66 HN THR 66 -12.624 1.025 8.917 385 HA THR 66 HA THR 66 -14.326 0.182 6.672 386 HB THR 66 HB THR 66 -15.021 -0.039 9.609 387 HG1 THR 66 HG1 THR 66 -14.170 -1.927 9.394 388 H SER 67 HN SER 67 -15.615 1.789 5.901 389 HA SER 67 HA SER 67 -16.651 3.856 7.562 390 1HB SER 67 HB2 SER 67 -14.048 4.273 6.450 391 2HB SER 67 HB1 SER 67 -15.176 5.372 5.673 392 HG SER 67 HG SER 67 -15.016 5.050 8.480 393 H ASP 68 HN ASP 68 -17.952 5.407 6.360 394 HA ASP 68 HA ASP 68 -19.253 4.145 4.124 395 1HB ASP 68 HB2 ASP 68 -20.153 5.755 6.112 396 2HB ASP 68 HB1 ASP 68 -19.970 6.930 4.813 397 H ASP 69 HN ASP 69 -16.460 5.796 4.262 398 HA ASP 69 HA ASP 69 -16.920 7.125 1.677 399 1HB ASP 69 HB2 ASP 69 -15.241 7.883 4.036 400 2HB ASP 69 HB1 ASP 69 -14.741 8.391 2.425 401 H MET 70 HN MET 70 -16.386 5.517 0.323 402 HA MET 70 HA MET 70 -14.641 3.506 0.378 403 1HB MET 70 HB2 MET 70 -15.873 5.121 -1.663 404 2HB MET 70 HB1 MET 70 -14.291 4.570 -2.191 405 1HG MET 70 HG2 MET 70 -15.581 2.364 -0.998 406 2HG MET 70 HG1 MET 70 -16.754 3.141 -2.061 407 1HE MET 70 HE1 MET 70 -13.406 0.479 -2.782 408 2HE MET 70 HE2 MET 70 -13.569 1.598 -1.428 409 3HE MET 70 HE3 MET 70 -12.586 2.043 -2.833 410 H TYR 71 HN TYR 71 -13.605 6.493 -1.261 411 HA TYR 71 HA TYR 71 -10.900 5.745 -1.236 412 1HB TYR 71 HB2 TYR 71 -12.409 8.160 -2.019 413 2HB TYR 71 HB1 TYR 71 -10.689 8.377 -1.680 414 HD1 TYR 71 HD1 TYR 71 -11.805 5.141 -2.864 415 HD2 TYR 71 HD2 TYR 71 -10.330 8.940 -4.092 416 HE1 TYR 71 HE1 TYR 71 -11.237 4.192 -5.041 417 HE2 TYR 71 HE2 TYR 71 -9.769 8.004 -6.297 418 HH TYR 71 HH TYR 71 -10.853 4.916 -7.319 419 H LYS 72 HN LYS 72 -12.817 7.274 1.185 420 HA LYS 72 HA LYS 72 -10.589 8.411 2.600 421 1HB LYS 72 HB2 LYS 72 -12.947 9.191 2.837 422 2HB LYS 72 HB1 LYS 72 -13.255 7.698 3.693 423 1HG LYS 72 HG2 LYS 72 -12.834 8.957 5.505 424 2HG LYS 72 HG1 LYS 72 -11.159 8.581 5.097 425 1HD LYS 72 HD2 LYS 72 -11.693 10.769 3.521 426 2HD LYS 72 HD1 LYS 72 -12.590 11.124 4.998 427 1HE LYS 72 HE2 LYS 72 -9.731 10.213 5.067 428 2HE LYS 72 HE1 LYS 72 -10.155 11.911 4.852 429 1HZ LYS 72 HZ1 LYS 72 -10.300 12.039 7.046 430 2HZ LYS 72 HZ2 LYS 72 -10.114 10.368 7.231 431 3HZ LYS 72 HZ3 LYS 72 -11.654 11.024 6.991 432 H ALA 73 HN ALA 73 -12.489 5.446 2.664 433 HA ALA 73 HA ALA 73 -11.329 4.266 4.953 434 1HB ALA 73 HB1 ALA 73 -13.410 3.518 3.584 435 2HB ALA 73 HB2 ALA 73 -12.377 2.281 4.300 436 3HB ALA 73 HB3 ALA 73 -12.239 2.660 2.584 437 H ILE 74 HN ILE 74 -10.619 4.230 1.515 438 HA ILE 74 HA ILE 74 -8.275 2.624 1.630 439 HB ILE 74 HB ILE 74 -9.485 4.527 -0.347 440 H ASN 75 HN ASN 75 -9.069 6.004 1.886 441 HA ASN 75 HA ASN 75 -6.568 7.201 2.010 442 1HB ASN 75 HB2 ASN 75 -9.096 8.046 2.024 443 2HB ASN 75 HB1 ASN 75 -8.813 8.172 3.752 444 H GLU 76 HN GLU 76 -8.556 5.620 4.428 445 HA GLU 76 HA GLU 76 -6.859 6.161 6.656 446 1HB GLU 76 HB2 GLU 76 -9.402 4.967 6.199 447 2HB GLU 76 HB1 GLU 76 -8.418 3.791 7.062 448 1HG GLU 76 HG2 GLU 76 -8.865 4.849 8.946 449 2HG GLU 76 HG1 GLU 76 -7.994 6.255 8.337 450 H VAL 77 HN VAL 77 -7.473 3.202 4.733 451 HA VAL 77 HA VAL 77 -5.681 1.476 5.864 452 HB VAL 77 HB VAL 77 -6.024 1.714 2.880 453 H GLU 78 HN GLU 78 -5.029 3.710 3.173 454 HA GLU 78 HA GLU 78 -2.329 3.163 2.890 455 1HB GLU 78 HB2 GLU 78 -4.073 4.860 1.664 456 2HB GLU 78 HB1 GLU 78 -3.078 6.001 2.559 457 1HG GLU 78 HG2 GLU 78 -1.658 3.917 1.022 458 2HG GLU 78 HG1 GLU 78 -2.493 5.164 0.098 459 H GLU 79 HN GLU 79 -4.019 5.183 5.181 460 HA GLU 79 HA GLU 79 -1.750 6.495 6.250 461 1HB GLU 79 HB2 GLU 79 -4.544 6.484 6.723 462 2HB GLU 79 HB1 GLU 79 -3.777 6.084 8.255 463 1HG GLU 79 HG2 GLU 79 -2.575 8.336 6.801 464 2HG GLU 79 HG1 GLU 79 -4.222 8.594 7.374 465 H LYS 80 HN LYS 80 -3.481 3.518 7.093 466 HA LYS 80 HA LYS 80 -1.882 2.863 9.337 467 1HB LYS 80 HB2 LYS 80 -3.536 1.160 7.470 468 2HB LYS 80 HB1 LYS 80 -2.675 0.491 8.842 469 1HG LYS 80 HG2 LYS 80 -4.375 2.790 9.480 470 2HG LYS 80 HG1 LYS 80 -5.239 1.365 8.897 471 1HD LYS 80 HD2 LYS 80 -4.778 0.172 10.755 472 2HD LYS 80 HD1 LYS 80 -3.145 0.826 10.890 473 1HE LYS 80 HE2 LYS 80 -3.891 2.754 12.001 474 2HE LYS 80 HE1 LYS 80 -5.567 2.483 11.522 475 1HZ LYS 80 HZ1 LYS 80 -5.904 1.036 13.197 476 2HZ LYS 80 HZ2 LYS 80 -4.618 1.864 13.919 477 3HZ LYS 80 HZ3 LYS 80 -4.339 0.395 13.130 478 H LEU 81 HN LEU 81 -1.833 1.621 6.005 479 HA LEU 81 HA LEU 81 0.451 0.090 6.113 480 1HB LEU 81 HB2 LEU 81 -1.152 1.338 4.040 481 2HB LEU 81 HB1 LEU 81 0.543 1.322 3.596 482 HG LEU 81 HG LEU 81 -1.074 -0.653 2.948 483 H GLU 82 HN GLU 82 0.221 3.595 5.426 484 HA GLU 82 HA GLU 82 3.001 3.994 5.071 485 1HB GLU 82 HB2 GLU 82 0.982 5.566 4.569 486 2HB GLU 82 HB1 GLU 82 1.194 6.093 6.231 487 1HG GLU 82 HG2 GLU 82 3.719 6.080 4.877 488 2HG GLU 82 HG1 GLU 82 2.536 7.004 3.953 489 H ARG 83 HN ARG 83 0.890 4.361 7.901 490 HA ARG 83 HA ARG 83 2.752 5.244 9.753 491 1HB ARG 83 HB2 ARG 83 0.290 5.028 10.138 492 2HB ARG 83 HB1 ARG 83 0.508 3.290 10.300 493 1HG ARG 83 HG2 ARG 83 2.198 4.984 12.025 494 2HG ARG 83 HG1 ARG 83 0.469 4.973 12.376 495 1HD ARG 83 HD2 ARG 83 0.527 2.515 12.473 496 2HD ARG 83 HD1 ARG 83 2.264 2.558 12.177 497 HE ARG 83 HE ARG 83 2.592 3.144 14.368 498 1HH1 ARG 83 HH11 ARG 83 -0.782 3.550 13.577 499 2HH1 ARG 83 HH12 ARG 83 -1.260 3.841 15.215 500 1HH2 ARG 83 HH21 ARG 83 1.965 3.527 16.524 501 2HH2 ARG 83 HH22 ARG 83 0.299 3.827 16.888 502 H GLN 84 HN GLN 84 1.891 1.902 8.894 503 HA GLN 84 HA GLN 84 3.735 0.660 10.634 504 1HB GLN 84 HB2 GLN 84 3.170 -0.697 8.061 505 2HB GLN 84 HB1 GLN 84 3.105 -1.327 9.696 506 1HG GLN 84 HG2 GLN 84 1.016 0.397 9.712 507 2HG GLN 84 HG1 GLN 84 1.000 -0.149 8.039 508 H LEU 85 HN LEU 85 3.937 1.600 7.214 509 HA LEU 85 HA LEU 85 6.459 0.698 6.557 510 1HB LEU 85 HB2 LEU 85 4.748 2.964 5.718 511 2HB LEU 85 HB1 LEU 85 6.446 3.119 5.324 512 HG LEU 85 HG LEU 85 5.392 0.507 4.588 513 H ASN 86 HN ASN 86 5.628 3.878 7.921 514 HA ASN 86 HA ASN 86 8.241 4.767 8.392 515 1HB ASN 86 HB2 ASN 86 5.953 6.036 8.552 516 2HB ASN 86 HB1 ASN 86 5.972 5.491 10.227 517 H LYS 87 HN LYS 87 6.083 2.706 10.215 518 HA LYS 87 HA LYS 87 7.546 2.618 12.631 519 1HB LYS 87 HB2 LYS 87 5.196 1.473 11.663 520 2HB LYS 87 HB1 LYS 87 6.261 0.098 11.932 521 1HG LYS 87 HG2 LYS 87 6.200 2.054 14.119 522 2HG LYS 87 HG1 LYS 87 4.674 1.219 13.821 523 1HD LYS 87 HD2 LYS 87 6.961 -0.579 13.763 524 2HD LYS 87 HD1 LYS 87 6.801 0.263 15.306 525 1HE LYS 87 HE2 LYS 87 4.467 -0.467 15.453 526 2HE LYS 87 HE1 LYS 87 4.640 -1.319 13.920 527 1HZ LYS 87 HZ1 LYS 87 6.618 -2.438 15.198 528 2HZ LYS 87 HZ2 LYS 87 5.034 -3.007 15.373 529 3HZ LYS 87 HZ3 LYS 87 5.708 -2.004 16.557 530 H LEU 88 HN LEU 88 7.601 0.653 9.688 531 HA LEU 88 HA LEU 88 9.473 -1.237 10.517 532 1HB LEU 88 HB2 LEU 88 9.313 -0.185 7.699 533 2HB LEU 88 HB1 LEU 88 9.782 -1.787 8.224 534 HG LEU 88 HG LEU 88 7.016 -0.609 8.155 535 H GLN 89 HN GLN 89 10.020 1.656 8.511 536 HA GLN 89 HA GLN 89 12.834 1.493 8.610 537 1HB GLN 89 HB2 GLN 89 11.148 3.966 8.183 538 2HB GLN 89 HB1 GLN 89 12.846 3.783 7.758 539 1HG GLN 89 HG2 GLN 89 12.252 3.031 5.775 540 2HG GLN 89 HG1 GLN 89 11.468 1.654 6.540 541 H HIS 90 HN HIS 90 10.525 2.641 10.892 542 HA HIS 90 HA HIS 90 12.367 4.288 12.378 543 1HB HIS 90 HB2 HIS 90 9.542 3.367 12.744 544 2HB HIS 90 HB1 HIS 90 10.421 3.987 14.134 545 HD1 HIS 90 HD1 HIS 90 11.130 5.552 10.846 546 HD2 HIS 90 HD2 HIS 90 8.699 6.241 14.145 547 HE1 HIS 90 HE1 HIS 90 10.299 7.912 10.587 548 HE2 HIS 90 HE2 HIS 90 8.904 8.337 12.642 549 H LYS 91 HN LYS 91 10.501 1.431 13.323 550 HA LYS 91 HA LYS 91 10.866 -0.176 14.858 551 1HB LYS 91 HB2 LYS 91 12.840 -1.526 14.486 552 2HB LYS 91 HB1 LYS 91 12.204 -0.975 12.943 553 1HG LYS 91 HG2 LYS 91 13.931 0.645 12.718 554 2HG LYS 91 HG1 LYS 91 14.479 0.375 14.373 555 1HD LYS 91 HD2 LYS 91 14.428 -2.061 12.769 556 2HD LYS 91 HD1 LYS 91 15.502 -0.823 12.115 557 1HE LYS 91 HE2 LYS 91 15.539 -1.736 14.986 558 2HE LYS 91 HE1 LYS 91 16.577 -2.409 13.730 559 1HZ LYS 91 HZ1 LYS 91 17.428 -0.131 13.357 560 2HZ LYS 91 HZ2 LYS 91 17.777 -0.730 14.899 561 3HZ LYS 91 HZ3 LYS 91 16.534 0.399 14.693 562 H SER 92 HN SER 92 12.809 -1.046 16.439 563 HA SER 92 HA SER 92 12.914 0.877 18.495 564 1HB SER 92 HB2 SER 92 14.119 -0.751 19.757 565 2HB SER 92 HB1 SER 92 12.975 -1.647 18.757 566 HG SER 92 HG SER 92 14.851 -2.688 18.445 567 H GLU 93 HN GLU 93 14.461 2.274 19.149 568 HA GLU 93 HA GLU 93 16.726 2.668 17.334 569 1HB GLU 93 HB2 GLU 93 15.632 4.501 19.477 570 2HB GLU 93 HB1 GLU 93 16.898 4.899 18.322 571 1HG GLU 93 HG2 GLU 93 14.928 4.157 16.640 572 2HG GLU 93 HG1 GLU 93 13.980 4.799 17.981 573 H SER 94 HN SER 94 16.676 0.553 19.353 574 HA SER 94 HA SER 94 19.282 0.909 20.405 575 1HB SER 94 HB2 SER 94 16.975 1.528 22.163 576 2HB SER 94 HB1 SER 94 18.241 0.519 22.863 577 HG SER 94 HG SER 94 18.900 2.557 23.253 578 H ARG 95 HN ARG 95 18.744 -1.046 18.883 579 HA ARG 95 HA ARG 95 17.494 -3.324 20.021 580 1HB ARG 95 HB2 ARG 95 18.094 -2.767 17.531 581 2HB ARG 95 HB1 ARG 95 19.620 -3.549 17.922 582 1HG ARG 95 HG2 ARG 95 18.705 -5.605 17.989 583 2HG ARG 95 HG1 ARG 95 17.191 -5.027 18.688 584 1HD ARG 95 HD2 ARG 95 16.571 -4.105 16.478 585 2HD ARG 95 HD1 ARG 95 18.047 -4.797 15.804 586 HE ARG 95 HE ARG 95 16.829 -6.931 16.925 587 1HH1 ARG 95 HH11 ARG 95 15.741 -4.473 14.700 588 2HH1 ARG 95 HH12 ARG 95 14.607 -5.515 13.909 589 1HH2 ARG 95 HH21 ARG 95 15.337 -8.303 15.887 590 2HH2 ARG 95 HH22 ARG 95 14.375 -7.688 14.584 591 H ARG 96 HN ARG 96 18.578 -3.135 22.152 592 HA ARG 96 HA ARG 96 19.970 -4.015 23.720 593 1HB ARG 96 HB2 ARG 96 20.174 -5.829 21.475 594 2HB ARG 96 HB1 ARG 96 21.702 -5.737 22.340 595 1HG ARG 96 HG2 ARG 96 19.290 -6.030 24.009 596 2HG ARG 96 HG1 ARG 96 19.714 -7.412 22.997 597 1HD ARG 96 HD2 ARG 96 22.137 -6.776 24.018 598 2HD ARG 96 HD1 ARG 96 21.088 -6.287 25.347 599 HE ARG 96 HE ARG 96 20.183 -8.757 24.738 600 1HH1 ARG 96 HH11 ARG 96 23.365 -7.495 25.419 601 2HH1 ARG 96 HH12 ARG 96 23.943 -8.977 26.103 602 1HH2 ARG 96 HH21 ARG 96 20.941 -10.707 25.637 603 2HH2 ARG 96 HH22 ARG 96 22.568 -10.802 26.226 604 H ALA 97 HN ALA 97 22.153 -4.188 20.919 605 HA ALA 97 HA ALA 97 23.853 -2.173 22.240 606 1HB ALA 97 HB1 ALA 97 24.616 -4.677 22.057 607 2HB ALA 97 HB2 ALA 97 25.760 -3.363 21.781 608 3HB ALA 97 HB3 ALA 97 25.036 -4.205 20.411 609 H ASP 98 HN ASP 98 21.725 -1.939 20.124 610 HA ASP 98 HA ASP 98 21.353 -0.823 18.177 611 1HB ASP 98 HB2 ASP 98 22.984 0.738 19.651 612 2HB ASP 98 HB1 ASP 98 23.998 0.514 18.228 613 H GLU 99 HN GLU 99 22.438 -0.212 15.971 614 HA GLU 99 HA GLU 99 23.985 -2.566 15.115 615 1HB GLU 99 HB2 GLU 99 21.624 -2.114 14.188 616 2HB GLU 99 HB1 GLU 99 22.374 -0.807 13.283 617 1HG GLU 99 HG2 GLU 99 22.995 -2.237 11.720 618 2HG GLU 99 HG1 GLU 99 23.949 -3.128 12.903 619 H ARG 100 HN ARG 100 23.984 0.870 15.330 620 HA ARG 100 HA ARG 100 25.579 2.427 14.878 621 1HB ARG 100 HB2 ARG 100 27.030 0.246 15.518 622 2HB ARG 100 HB1 ARG 100 27.564 0.479 13.858 623 1HG ARG 100 HG2 ARG 100 29.012 1.973 14.609 624 2HG ARG 100 HG1 ARG 100 27.649 3.017 15.013 625 1HD ARG 100 HD2 ARG 100 28.555 2.897 17.082 626 2HD ARG 100 HD1 ARG 100 27.619 1.404 17.153 627 HE ARG 100 HE ARG 100 30.146 0.836 16.078 628 1HH1 ARG 100 HH11 ARG 100 28.692 1.804 19.099 629 2HH1 ARG 100 HH12 ARG 100 29.919 1.063 20.071 630 1HH2 ARG 100 HH21 ARG 100 31.760 -0.139 17.354 631 2HH2 ARG 100 HH22 ARG 100 31.661 -0.041 19.080 632 H LEU 101 HN LEU 101 26.935 3.321 13.045 633 HA LEU 101 HA LEU 101 25.712 2.541 10.481 634 1HB LEU 101 HB2 LEU 101 25.507 4.947 11.723 635 2HB LEU 101 HB1 LEU 101 26.913 5.224 10.713 636 HG LEU 101 HG LEU 101 24.572 4.010 9.370 637 H LYS 102 HN LYS 102 28.011 1.238 11.430 638 HA LYS 102 HA LYS 102 30.174 2.381 9.803 639 1HB LYS 102 HB2 LYS 102 31.659 0.838 11.033 640 2HB LYS 102 HB1 LYS 102 30.802 1.937 12.104 641 1HG LYS 102 HG2 LYS 102 29.671 0.280 13.119 642 2HG LYS 102 HG1 LYS 102 29.483 -0.649 11.631 643 1HD LYS 102 HD2 LYS 102 31.207 -1.953 12.159 644 2HD LYS 102 HD1 LYS 102 32.253 -0.553 12.396 645 1HE LYS 102 HE2 LYS 102 32.304 -1.160 14.546 646 2HE LYS 102 HE1 LYS 102 30.669 -0.509 14.638 647 1HZ LYS 102 HZ1 LYS 102 30.056 -2.895 13.814 648 2HZ LYS 102 HZ2 LYS 102 30.349 -2.600 15.454 649 3HZ LYS 102 HZ3 LYS 102 31.553 -3.300 14.493 650 H ASP 103 HN ASP 103 30.991 1.328 8.069 651 HA ASP 103 HA ASP 103 30.539 -1.452 7.574 652 1HB ASP 103 HB2 ASP 103 29.261 -1.031 5.416 653 2HB ASP 103 HB1 ASP 103 28.349 -0.820 6.907 654 H SER 104 HN SER 104 31.972 -2.248 6.112 655 HA SER 104 HA SER 104 33.132 -0.843 3.988 656 1HB SER 104 HB2 SER 104 35.481 -0.656 5.006 657 2HB SER 104 HB1 SER 104 34.299 0.559 5.493 658 HG SER 104 HG SER 104 35.000 -1.772 6.955 659 H PHE 105 HN PHE 105 33.631 -3.299 6.473 660 HA PHE 105 HA PHE 105 34.105 -5.294 4.444 661 1HB PHE 105 HB2 PHE 105 36.295 -4.218 6.137 662 2HB PHE 105 HB1 PHE 105 36.244 -5.964 5.919 663 HD1 PHE 105 HD1 PHE 105 37.954 -3.337 4.821 664 HD2 PHE 105 HD2 PHE 105 35.433 -6.363 3.213 665 HE1 PHE 105 HE1 PHE 105 39.060 -3.091 2.636 666 HE2 PHE 105 HE2 PHE 105 36.534 -6.124 1.026 667 HZ PHE 105 HZ PHE 105 38.351 -4.486 0.736 668 H GLU 106 HN GLU 106 34.170 -4.529 7.907 669 HA GLU 106 HA GLU 106 33.311 -5.598 9.720 670 1HB GLU 106 HB2 GLU 106 31.614 -6.556 7.488 671 2HB GLU 106 HB1 GLU 106 31.562 -7.510 8.965 672 1HG GLU 106 HG2 GLU 106 30.881 -5.591 10.241 673 2HG GLU 106 HG1 GLU 106 31.074 -4.544 8.836 674 H ASN 107 HN ASN 107 35.592 -6.432 9.748 675 HA ASN 107 HA ASN 107 35.625 -9.137 10.474 676 1HB ASN 107 HB2 ASN 107 37.216 -9.933 8.649 677 2HB ASN 107 HB1 ASN 107 35.524 -9.764 8.190 Start of MODEL 2 1 1H MET 1 HT1 MET 1 5.613 -5.627 -10.091 2 2H MET 1 HT2 MET 1 6.905 -5.294 -9.011 3 3H MET 1 HT3 MET 1 6.217 -4.030 -9.945 4 HA MET 1 HA MET 1 4.671 -5.596 -8.007 5 1HB MET 1 HB2 MET 1 5.052 -3.566 -6.523 6 2HB MET 1 HB1 MET 1 6.419 -4.655 -6.713 7 1HG MET 1 HG2 MET 1 6.259 -2.409 -8.617 8 2HG MET 1 HG1 MET 1 6.599 -1.998 -6.937 9 1HE MET 1 HE1 MET 1 9.276 -4.726 -6.287 10 2HE MET 1 HE2 MET 1 7.934 -3.782 -5.641 11 3HE MET 1 HE3 MET 1 9.519 -3.036 -5.842 12 H THR 2 HN THR 2 2.978 -5.414 -9.596 13 HA THR 2 HA THR 2 2.060 -2.736 -10.258 14 HB THR 2 HB THR 2 0.720 -5.326 -10.992 15 HG1 THR 2 HG1 THR 2 2.872 -4.018 -12.288 16 H LEU 3 HN LEU 3 1.761 -4.639 -7.661 17 HA LEU 3 HA LEU 3 0.338 -4.774 -5.897 18 1HB LEU 3 HB2 LEU 3 0.532 -2.377 -5.848 19 2HB LEU 3 HB1 LEU 3 -0.664 -2.208 -7.120 20 HG LEU 3 HG LEU 3 -1.426 -3.507 -4.532 21 H ASN 4 HN ASN 4 -0.950 -6.483 -6.008 22 HA ASN 4 HA ASN 4 -3.113 -6.608 -7.943 23 1HB ASN 4 HB2 ASN 4 -2.310 -8.615 -5.836 24 2HB ASN 4 HB1 ASN 4 -3.413 -8.894 -7.178 25 H ILE 5 HN ILE 5 -5.287 -7.329 -7.212 26 HA ILE 5 HA ILE 5 -5.996 -6.232 -4.576 27 HB ILE 5 HB ILE 5 -7.730 -5.860 -7.016 28 H THR 6 HN THR 6 -7.795 -7.145 -3.559 29 HA THR 6 HA THR 6 -8.940 -9.547 -4.799 30 HB THR 6 HB THR 6 -8.239 -9.549 -1.882 31 HG1 THR 6 HG1 THR 6 -6.210 -9.885 -2.274 32 H SER 7 HN SER 7 -11.001 -8.911 -5.051 33 HA SER 7 HA SER 7 -12.348 -7.644 -2.760 34 1HB SER 7 HB2 SER 7 -14.051 -7.020 -4.624 35 2HB SER 7 HB1 SER 7 -12.548 -6.116 -4.500 36 HG SER 7 HG SER 7 -13.358 -7.983 -6.414 37 H LYS 8 HN LYS 8 -13.656 -8.938 -1.662 38 HA LYS 8 HA LYS 8 -14.510 -11.453 -2.735 39 1HB LYS 8 HB2 LYS 8 -15.124 -12.013 -0.589 40 2HB LYS 8 HB1 LYS 8 -13.888 -10.800 -0.286 41 1HG LYS 8 HG2 LYS 8 -16.127 -9.273 -0.402 42 2HG LYS 8 HG1 LYS 8 -16.753 -10.762 0.301 43 1HD LYS 8 HD2 LYS 8 -14.229 -10.001 1.495 44 2HD LYS 8 HD1 LYS 8 -15.421 -8.708 1.629 45 1HE LYS 8 HE2 LYS 8 -16.470 -11.375 2.232 46 2HE LYS 8 HE1 LYS 8 -15.199 -10.835 3.329 47 1HZ LYS 8 HZ1 LYS 8 -17.374 -8.978 2.686 48 2HZ LYS 8 HZ2 LYS 8 -16.467 -9.122 4.106 49 3HZ LYS 8 HZ3 LYS 8 -17.689 -10.242 3.768 50 H GLN 9 HN GLN 9 -15.897 -8.325 -2.896 51 HA GLN 9 HA GLN 9 -18.365 -9.527 -3.869 52 1HB GLN 9 HB2 GLN 9 -19.799 -7.951 -2.679 53 2HB GLN 9 HB1 GLN 9 -18.889 -8.959 -1.568 54 1HG GLN 9 HG2 GLN 9 -17.906 -6.223 -2.285 55 2HG GLN 9 HG1 GLN 9 -19.158 -6.448 -1.072 56 H MET 10 HN MET 10 -16.768 -6.361 -3.435 57 HA MET 10 HA MET 10 -17.970 -5.461 -5.925 58 1HB MET 10 HB2 MET 10 -16.807 -3.280 -5.330 59 2HB MET 10 HB1 MET 10 -18.117 -3.805 -4.289 60 1HG MET 10 HG2 MET 10 -16.759 -4.161 -2.516 61 2HG MET 10 HG1 MET 10 -15.394 -4.634 -3.521 62 1HE MET 10 HE1 MET 10 -14.372 -3.214 -1.326 63 2HE MET 10 HE2 MET 10 -15.860 -2.386 -0.877 64 3HE MET 10 HE3 MET 10 -14.412 -1.452 -1.257 65 H ASP 11 HN ASP 11 -16.934 -6.217 -7.665 66 HA ASP 11 HA ASP 11 -14.310 -7.001 -7.873 67 1HB ASP 11 HB2 ASP 11 -14.590 -6.539 -10.360 68 2HB ASP 11 HB1 ASP 11 -15.786 -7.603 -9.627 69 H ILE 12 HN ILE 12 -12.789 -5.871 -9.621 70 HA ILE 12 HA ILE 12 -12.181 -3.247 -8.475 71 HB ILE 12 HB ILE 12 -10.205 -4.105 -10.389 72 H THR 13 HN THR 13 -11.996 -1.403 -9.672 73 HA THR 13 HA THR 13 -12.523 -1.548 -12.545 74 HB THR 13 HB THR 13 -14.430 -0.311 -12.514 75 HG1 THR 13 HG1 THR 13 -13.642 0.904 -10.078 76 HA PRO 14 HA PRO 14 -9.812 1.845 -13.391 77 1HB PRO 14 HB2 PRO 14 -12.081 3.793 -13.339 78 2HB PRO 14 HB1 PRO 14 -10.773 3.629 -14.516 79 1HG PRO 14 HG2 PRO 14 -13.195 2.694 -15.073 80 2HG PRO 14 HG1 PRO 14 -11.747 1.779 -15.536 81 1HD PRO 14 HD2 PRO 14 -13.693 1.269 -13.346 82 2HD PRO 14 HD1 PRO 14 -12.748 0.115 -14.307 83 H ALA 15 HN ALA 15 -12.373 3.182 -11.273 84 HA ALA 15 HA ALA 15 -10.859 5.018 -9.889 85 1HB ALA 15 HB1 ALA 15 -12.698 3.705 -8.090 86 2HB ALA 15 HB2 ALA 15 -13.434 3.971 -9.671 87 3HB ALA 15 HB3 ALA 15 -12.760 5.330 -8.773 88 H ILE 16 HN ILE 16 -11.793 1.953 -8.337 89 HA ILE 16 HA ILE 16 -9.900 1.926 -6.337 90 HB ILE 16 HB ILE 16 -11.278 -0.298 -7.813 91 H ARG 17 HN ARG 17 -9.598 -0.011 -9.333 92 HA ARG 17 HA ARG 17 -7.046 -0.892 -9.147 93 1HB ARG 17 HB2 ARG 17 -8.687 -1.227 -11.058 94 2HB ARG 17 HB1 ARG 17 -8.106 0.298 -11.712 95 1HG ARG 17 HG2 ARG 17 -6.415 -0.742 -12.681 96 2HG ARG 17 HG1 ARG 17 -5.850 -1.320 -11.113 97 1HD ARG 17 HD2 ARG 17 -7.704 -3.117 -11.401 98 2HD ARG 17 HD1 ARG 17 -7.623 -2.675 -13.106 99 HE ARG 17 HE ARG 17 -5.063 -3.262 -11.934 100 1HH1 ARG 17 HH11 ARG 17 -7.874 -4.615 -13.500 101 2HH1 ARG 17 HH12 ARG 17 -7.035 -6.017 -14.072 102 1HH2 ARG 17 HH21 ARG 17 -3.958 -5.105 -12.688 103 2HH2 ARG 17 HH22 ARG 17 -4.811 -6.296 -13.611 104 H GLU 18 HN GLU 18 -7.876 2.182 -10.775 105 HA GLU 18 HA GLU 18 -5.254 3.105 -11.071 106 1HB GLU 18 HB2 GLU 18 -7.159 4.066 -12.281 107 2HB GLU 18 HB1 GLU 18 -7.805 4.709 -10.777 108 1HG GLU 18 HG2 GLU 18 -6.674 6.569 -11.145 109 2HG GLU 18 HG1 GLU 18 -5.178 5.659 -10.944 110 H HIS 19 HN HIS 19 -7.561 3.494 -8.426 111 HA HIS 19 HA HIS 19 -6.121 5.360 -6.900 112 1HB HIS 19 HB2 HIS 19 -8.545 4.463 -6.645 113 2HB HIS 19 HB1 HIS 19 -7.811 3.175 -5.703 114 HD1 HIS 19 HD1 HIS 19 -6.595 6.723 -5.431 115 HD2 HIS 19 HD2 HIS 19 -8.954 3.992 -3.403 116 HE1 HIS 19 HE1 HIS 19 -7.041 7.774 -3.186 117 HE2 HIS 19 HE2 HIS 19 -8.571 6.150 -2.012 118 H LEU 20 HN LEU 20 -6.506 1.905 -6.169 119 HA LEU 20 HA LEU 20 -4.476 1.562 -4.366 120 1HB LEU 20 HB2 LEU 20 -4.918 -0.521 -6.458 121 2HB LEU 20 HB1 LEU 20 -4.623 -0.711 -4.738 122 HG LEU 20 HG LEU 20 -7.188 0.290 -5.965 123 H GLU 21 HN GLU 21 -4.225 1.221 -7.900 124 HA GLU 21 HA GLU 21 -1.499 0.624 -8.029 125 1HB GLU 21 HB2 GLU 21 -3.319 2.034 -9.983 126 2HB GLU 21 HB1 GLU 21 -1.654 1.613 -10.362 127 1HG GLU 21 HG2 GLU 21 -2.128 -0.724 -10.105 128 2HG GLU 21 HG1 GLU 21 -3.758 -0.373 -9.536 129 H GLU 22 HN GLU 22 -3.116 3.783 -8.379 130 HA GLU 22 HA GLU 22 -0.834 5.364 -8.599 131 1HB GLU 22 HB2 GLU 22 -3.133 6.200 -8.965 132 2HB GLU 22 HB1 GLU 22 -3.440 6.087 -7.238 133 1HG GLU 22 HG2 GLU 22 -2.963 8.316 -7.502 134 2HG GLU 22 HG1 GLU 22 -1.399 7.661 -7.021 135 H ARG 23 HN ARG 23 -2.610 4.336 -5.703 136 HA ARG 23 HA ARG 23 -1.071 5.659 -3.790 137 1HB ARG 23 HB2 ARG 23 -2.723 3.159 -3.726 138 2HB ARG 23 HB1 ARG 23 -1.783 3.639 -2.318 139 1HG ARG 23 HG2 ARG 23 -3.834 5.372 -3.677 140 2HG ARG 23 HG1 ARG 23 -4.124 4.395 -2.242 141 1HD ARG 23 HD2 ARG 23 -2.433 5.649 -1.022 142 2HD ARG 23 HD1 ARG 23 -2.091 6.606 -2.461 143 HE ARG 23 HE ARG 23 -4.298 6.925 -0.647 144 1HH1 ARG 23 HH11 ARG 23 -3.146 7.513 -3.888 145 2HH1 ARG 23 HH12 ARG 23 -4.218 8.845 -4.162 146 1HH2 ARG 23 HH21 ARG 23 -5.709 8.677 -1.005 147 2HH2 ARG 23 HH22 ARG 23 -5.674 9.506 -2.526 148 H LEU 24 HN LEU 24 -0.644 2.528 -5.363 149 HA LEU 24 HA LEU 24 1.606 1.684 -3.878 150 1HB LEU 24 HB2 LEU 24 0.340 0.132 -5.255 151 2HB LEU 24 HB1 LEU 24 0.754 1.028 -6.701 152 HG LEU 24 HG LEU 24 3.205 0.463 -6.078 153 H ALA 25 HN ALA 25 1.259 3.423 -6.947 154 HA ALA 25 HA ALA 25 3.982 3.718 -7.540 155 1HB ALA 25 HB1 ALA 25 2.951 5.959 -8.620 156 2HB ALA 25 HB2 ALA 25 1.472 5.028 -8.380 157 3HB ALA 25 HB3 ALA 25 2.785 4.362 -9.351 158 H LYS 26 HN LYS 26 1.835 5.448 -5.396 159 HA LYS 26 HA LYS 26 3.634 7.620 -4.882 160 1HB LYS 26 HB2 LYS 26 1.121 7.699 -4.593 161 2HB LYS 26 HB1 LYS 26 1.326 6.699 -3.161 162 1HG LYS 26 HG2 LYS 26 2.978 9.135 -3.262 163 2HG LYS 26 HG1 LYS 26 1.237 9.386 -3.124 164 1HD LYS 26 HD2 LYS 26 1.291 7.715 -1.217 165 2HD LYS 26 HD1 LYS 26 3.049 7.856 -1.271 166 1HE LYS 26 HE2 LYS 26 1.347 10.307 -1.083 167 2HE LYS 26 HE1 LYS 26 1.681 9.352 0.360 168 1HZ LYS 26 HZ1 LYS 26 3.858 9.935 0.356 169 2HZ LYS 26 HZ2 LYS 26 3.244 11.312 -0.409 170 3HZ LYS 26 HZ3 LYS 26 3.952 10.080 -1.328 171 H LEU 27 HN LEU 27 2.808 4.563 -3.318 172 HA LEU 27 HA LEU 27 4.547 4.989 -1.082 173 1HB LEU 27 HB2 LEU 27 2.749 2.854 -2.020 174 2HB LEU 27 HB1 LEU 27 4.147 2.290 -1.124 175 HG LEU 27 HG LEU 27 2.011 4.189 -0.159 176 H GLY 28 HN GLY 28 5.099 4.239 -4.300 177 1HA GLY 28 HA2 GLY 28 7.194 2.355 -4.104 178 2HA GLY 28 HA1 GLY 28 6.923 3.452 -5.449 179 H LYS 29 HN LYS 29 7.098 5.827 -3.726 180 HA LYS 29 HA LYS 29 9.940 6.169 -3.871 181 1HB LYS 29 HB2 LYS 29 9.556 8.448 -3.304 182 2HB LYS 29 HB1 LYS 29 8.280 7.967 -4.409 183 1HG LYS 29 HG2 LYS 29 6.688 8.435 -2.923 184 2HG LYS 29 HG1 LYS 29 7.536 7.597 -1.623 185 1HD LYS 29 HD2 LYS 29 9.080 9.826 -1.969 186 2HD LYS 29 HD1 LYS 29 7.460 10.444 -2.294 187 1HE LYS 29 HE2 LYS 29 7.705 10.733 0.003 188 2HE LYS 29 HE1 LYS 29 6.789 9.233 -0.129 189 1HZ LYS 29 HZ1 LYS 29 8.952 8.043 0.076 190 2HZ LYS 29 HZ2 LYS 29 8.500 8.902 1.461 191 3HZ LYS 29 HZ3 LYS 29 9.688 9.525 0.430 192 H TRP 30 HN TRP 30 7.940 4.879 -1.528 193 HA TRP 30 HA TRP 30 9.347 5.826 0.788 194 1HB TRP 30 HB2 TRP 30 7.121 3.908 0.261 195 2HB TRP 30 HB1 TRP 30 7.973 3.819 1.794 196 HD1 TRP 30 HD1 TRP 30 5.718 6.185 -0.229 197 HE1 TRP 30 HE1 TRP 30 4.682 7.895 1.395 198 HE3 TRP 30 HE3 TRP 30 8.306 4.958 3.983 199 HZ2 TRP 30 HZ2 TRP 30 4.941 8.623 4.121 200 HZ3 TRP 30 HZ3 TRP 30 7.871 6.210 6.051 201 HH2 TRP 30 HH2 TRP 30 6.222 8.004 6.120 202 H GLN 31 HN GLN 31 11.465 5.222 0.823 203 HA GLN 31 HA GLN 31 12.765 3.146 -0.267 204 1HB GLN 31 HB2 GLN 31 14.486 3.388 1.370 205 2HB GLN 31 HB1 GLN 31 13.786 4.973 1.087 206 1HG GLN 31 HG2 GLN 31 13.506 5.192 3.266 207 2HG GLN 31 HG1 GLN 31 12.350 3.866 3.223 208 H THR 32 HN THR 32 11.383 1.370 -0.387 209 HA THR 32 HA THR 32 11.746 -0.551 1.708 210 HB THR 32 HB THR 32 9.076 0.697 1.099 211 HG1 THR 32 HG1 THR 32 10.485 0.007 3.451 212 H GLN 33 HN GLN 33 10.620 -2.663 1.002 213 HA GLN 33 HA GLN 33 10.824 -2.940 -1.915 214 1HB GLN 33 HB2 GLN 33 11.997 -4.446 0.263 215 2HB GLN 33 HB1 GLN 33 11.029 -5.479 -0.772 216 1HG GLN 33 HG2 GLN 33 12.910 -5.663 -1.950 217 2HG GLN 33 HG1 GLN 33 12.448 -4.094 -2.594 218 H LEU 34 HN LEU 34 8.758 -2.788 -2.510 219 HA LEU 34 HA LEU 34 6.650 -3.794 -0.923 220 1HB LEU 34 HB2 LEU 34 6.206 -3.263 -3.820 221 2HB LEU 34 HB1 LEU 34 5.199 -2.864 -2.446 222 HG LEU 34 HG LEU 34 5.881 -0.772 -3.079 223 H ILE 35 HN ILE 35 7.902 -5.930 -0.858 224 HA ILE 35 HA ILE 35 7.924 -7.718 -2.997 225 HB ILE 35 HB ILE 35 7.646 -8.358 -0.063 226 H SER 36 HN SER 36 6.188 -8.262 -4.152 227 HA SER 36 HA SER 36 4.026 -8.768 -4.715 228 1HB SER 36 HB2 SER 36 4.556 -10.952 -4.016 229 2HB SER 36 HB1 SER 36 4.627 -10.490 -2.315 230 HG SER 36 HG SER 36 2.702 -11.472 -2.491 231 HA PRO 37 HA PRO 37 1.810 -5.986 -1.914 232 1HB PRO 37 HB2 PRO 37 1.221 -4.152 -3.845 233 2HB PRO 37 HB1 PRO 37 2.738 -4.170 -2.942 234 1HG PRO 37 HG2 PRO 37 2.283 -4.782 -5.744 235 2HG PRO 37 HG1 PRO 37 3.815 -4.572 -4.893 236 1HD PRO 37 HD2 PRO 37 2.402 -7.018 -5.638 237 2HD PRO 37 HD1 PRO 37 4.085 -6.803 -5.122 238 H HIS 38 HN HIS 38 -0.218 -6.529 -1.423 239 HA HIS 38 HA HIS 38 -2.145 -6.962 -3.608 240 1HB HIS 38 HB2 HIS 38 -1.430 -8.682 -1.440 241 2HB HIS 38 HB1 HIS 38 -3.105 -8.211 -1.263 242 HD1 HIS 38 HD1 HIS 38 -1.250 -10.826 -2.596 243 HD2 HIS 38 HD2 HIS 38 -4.394 -8.546 -4.060 244 HE1 HIS 38 HE1 HIS 38 -2.325 -12.232 -4.383 245 HE2 HIS 38 HE2 HIS 38 -4.152 -10.783 -5.336 246 H PHE 39 HN PHE 39 -4.431 -6.771 -2.768 247 HA PHE 39 HA PHE 39 -4.796 -4.880 -0.631 248 1HB PHE 39 HB2 PHE 39 -4.761 -4.027 -3.398 249 2HB PHE 39 HB1 PHE 39 -6.309 -3.710 -2.627 250 HD1 PHE 39 HD1 PHE 39 -6.603 -1.919 -1.179 251 HD2 PHE 39 HD2 PHE 39 -2.671 -3.154 -2.239 252 HE1 PHE 39 HE1 PHE 39 -5.684 0.076 -0.073 253 HE2 PHE 39 HE2 PHE 39 -1.744 -1.160 -1.133 254 HZ PHE 39 HZ PHE 39 -3.253 0.456 -0.047 255 H VAL 40 HN VAL 40 -6.228 -5.991 0.507 256 HA VAL 40 HA VAL 40 -8.333 -7.474 -0.817 257 HB VAL 40 HB VAL 40 -7.730 -7.165 2.131 258 H LEU 41 HN LEU 41 -9.532 -5.807 -1.689 259 HA LEU 41 HA LEU 41 -10.648 -3.743 0.019 260 1HB LEU 41 HB2 LEU 41 -9.831 -3.320 -2.300 261 2HB LEU 41 HB1 LEU 41 -11.135 -4.316 -2.895 262 HG LEU 41 HG LEU 41 -12.551 -2.542 -1.450 263 H ASN 42 HN ASN 42 -12.703 -3.641 0.734 264 HA ASN 42 HA ASN 42 -14.727 -5.377 -0.379 265 1HB ASN 42 HB2 ASN 42 -14.057 -5.584 2.556 266 2HB ASN 42 HB1 ASN 42 -15.363 -6.414 1.726 267 H LYS 43 HN LYS 43 -16.848 -4.984 0.454 268 HA LYS 43 HA LYS 43 -17.193 -2.275 1.594 269 1HB LYS 43 HB2 LYS 43 -18.018 -1.788 -0.476 270 2HB LYS 43 HB1 LYS 43 -18.278 -3.477 -0.892 271 1HG LYS 43 HG2 LYS 43 -20.333 -3.489 0.464 272 2HG LYS 43 HG1 LYS 43 -20.076 -1.793 0.865 273 1HD LYS 43 HD2 LYS 43 -19.912 -1.853 -1.906 274 2HD LYS 43 HD1 LYS 43 -21.213 -2.984 -1.531 275 1HE LYS 43 HE2 LYS 43 -22.269 -1.239 -0.130 276 2HE LYS 43 HE1 LYS 43 -21.003 -0.115 -0.623 277 1HZ LYS 43 HZ1 LYS 43 -23.081 0.094 -1.915 278 2HZ LYS 43 HZ2 LYS 43 -22.853 -1.474 -2.506 279 3HZ LYS 43 HZ3 LYS 43 -21.736 -0.260 -2.880 280 H VAL 44 HN VAL 44 -19.435 -2.019 2.520 281 HA VAL 44 HA VAL 44 -20.869 -4.390 3.204 282 HB VAL 44 HB VAL 44 -20.678 -3.936 5.667 283 HA PRO 45 HA PRO 45 -24.389 -1.793 3.501 284 1HB PRO 45 HB2 PRO 45 -24.825 -2.892 6.240 285 2HB PRO 45 HB1 PRO 45 -25.952 -2.774 4.882 286 1HG PRO 45 HG2 PRO 45 -24.832 -5.104 5.513 287 2HG PRO 45 HG1 PRO 45 -25.073 -4.639 3.818 288 1HD PRO 45 HD2 PRO 45 -22.569 -4.693 5.434 289 2HD PRO 45 HD1 PRO 45 -22.807 -5.012 3.703 290 H ASN 46 HN ASN 46 -22.577 -1.985 6.549 291 HA ASN 46 HA ASN 46 -23.378 0.662 7.346 292 1HB ASN 46 HB2 ASN 46 -21.961 0.274 9.307 293 2HB ASN 46 HB1 ASN 46 -23.039 -1.089 9.021 294 H GLY 47 HN GLY 47 -21.323 -0.147 4.978 295 1HA GLY 47 HA2 GLY 47 -20.138 2.143 4.416 296 2HA GLY 47 HA1 GLY 47 -19.158 1.627 5.768 297 H PHE 48 HN PHE 48 -17.345 1.446 4.628 298 HA PHE 48 HA PHE 48 -17.176 -0.788 2.735 299 1HB PHE 48 HB2 PHE 48 -15.903 1.918 2.606 300 2HB PHE 48 HB1 PHE 48 -15.231 0.568 1.752 301 HD1 PHE 48 HD1 PHE 48 -18.037 2.905 1.936 302 HD2 PHE 48 HD2 PHE 48 -16.276 -0.317 -0.183 303 HE1 PHE 48 HE1 PHE 48 -19.514 3.362 0.019 304 HE2 PHE 48 HE2 PHE 48 -17.744 0.115 -2.102 305 HZ PHE 48 HZ PHE 48 -19.359 1.958 -2.006 306 H SER 49 HN SER 49 -15.673 -2.289 3.267 307 HA SER 49 HA SER 49 -13.733 -1.560 5.349 308 1HB SER 49 HB2 SER 49 -13.834 -4.372 5.112 309 2HB SER 49 HB1 SER 49 -14.356 -3.376 6.461 310 HG SER 49 HG SER 49 -15.868 -4.450 4.353 311 H VAL 50 HN VAL 50 -11.769 -1.414 4.723 312 HA VAL 50 HA VAL 50 -10.911 -2.871 2.304 313 HB VAL 50 HB VAL 50 -9.469 -0.395 3.117 314 H GLU 51 HN GLU 51 -8.748 -3.625 2.249 315 HA GLU 51 HA GLU 51 -7.121 -3.435 4.642 316 1HB GLU 51 HB2 GLU 51 -8.502 -5.311 5.244 317 2HB GLU 51 HB1 GLU 51 -8.269 -6.053 3.674 318 1HG GLU 51 HG2 GLU 51 -5.727 -5.959 4.429 319 2HG GLU 51 HG1 GLU 51 -6.475 -5.974 6.024 320 H ALA 52 HN ALA 52 -5.006 -3.444 4.145 321 HA ALA 52 HA ALA 52 -4.278 -4.223 1.397 322 1HB ALA 52 HB1 ALA 52 -2.601 -2.502 1.404 323 2HB ALA 52 HB2 ALA 52 -2.935 -2.125 3.094 324 3HB ALA 52 HB3 ALA 52 -4.149 -1.792 1.860 325 H SER 53 HN SER 53 -2.126 -5.036 1.064 326 HA SER 53 HA SER 53 -0.605 -5.920 3.351 327 1HB SER 53 HB2 SER 53 -1.725 -7.994 1.456 328 2HB SER 53 HB1 SER 53 -0.732 -8.286 2.884 329 HG SER 53 HG SER 53 -2.719 -8.590 3.649 330 H ILE 54 HN ILE 54 1.395 -5.347 2.777 331 HA ILE 54 HA ILE 54 2.370 -6.132 0.118 332 HB ILE 54 HB ILE 54 3.023 -3.464 1.371 333 H GLY 55 HN GLY 55 4.040 -7.479 0.427 334 1HA GLY 55 HA2 GLY 55 5.375 -7.830 2.842 335 2HA GLY 55 HA1 GLY 55 5.904 -8.445 1.305 336 H THR 56 HN THR 56 7.483 -7.470 3.405 337 HA THR 56 HA THR 56 9.100 -5.616 1.928 338 HB THR 56 HB THR 56 8.936 -3.746 3.153 339 HG1 THR 56 HG1 THR 56 8.193 -4.826 5.589 340 HA PRO 57 HA PRO 57 12.284 -8.054 3.855 341 1HB PRO 57 HB2 PRO 57 13.974 -5.634 3.785 342 2HB PRO 57 HB1 PRO 57 14.244 -7.212 3.041 343 1HG PRO 57 HG2 PRO 57 13.583 -5.025 1.605 344 2HG PRO 57 HG1 PRO 57 13.086 -6.662 1.140 345 1HD PRO 57 HD2 PRO 57 11.496 -4.468 2.364 346 2HD PRO 57 HD1 PRO 57 11.002 -5.739 1.235 347 H LEU 58 HN LEU 58 11.014 -5.106 5.044 348 HA LEU 58 HA LEU 58 12.391 -5.346 7.603 349 1HB LEU 58 HB2 LEU 58 10.595 -3.183 6.496 350 2HB LEU 58 HB1 LEU 58 11.366 -3.133 8.071 351 HG LEU 58 HG LEU 58 13.436 -3.600 6.211 352 H GLY 59 HN GLY 59 9.483 -6.201 6.091 353 1HA GLY 59 HA2 GLY 59 8.331 -7.789 7.812 354 2HA GLY 59 HA1 GLY 59 7.949 -6.267 8.581 355 H ASN 60 HN ASN 60 6.503 -8.539 6.987 356 HA ASN 60 HA ASN 60 5.339 -7.553 4.689 357 1HB ASN 60 HB2 ASN 60 3.903 -9.181 6.782 358 2HB ASN 60 HB1 ASN 60 3.557 -9.119 5.060 359 H LEU 61 HN LEU 61 4.305 -5.680 4.384 360 HA LEU 61 HA LEU 61 3.097 -4.246 6.554 361 1HB LEU 61 HB2 LEU 61 3.257 -3.768 3.589 362 2HB LEU 61 HB1 LEU 61 2.234 -2.779 4.604 363 HG LEU 61 HG LEU 61 5.035 -3.013 5.501 364 H LEU 62 HN LEU 62 0.979 -4.036 7.060 365 HA LEU 62 HA LEU 62 -1.060 -5.113 5.319 366 1HB LEU 62 HB2 LEU 62 -0.954 -6.094 8.153 367 2HB LEU 62 HB1 LEU 62 -1.982 -6.655 6.854 368 HG LEU 62 HG LEU 62 1.008 -7.023 6.829 369 H ALA 63 HN ALA 63 -3.135 -4.384 5.836 370 HA ALA 63 HA ALA 63 -3.572 -2.686 8.115 371 1HB ALA 63 HB1 ALA 63 -2.516 -0.999 6.887 372 2HB ALA 63 HB2 ALA 63 -4.236 -0.722 6.613 373 3HB ALA 63 HB3 ALA 63 -3.260 -1.508 5.373 374 H SER 64 HN SER 64 -5.793 -1.844 8.181 375 HA SER 64 HA SER 64 -7.740 -2.736 6.316 376 1HB SER 64 HB2 SER 64 -8.822 -4.195 8.312 377 2HB SER 64 HB1 SER 64 -7.798 -4.889 7.054 378 HG SER 64 HG SER 64 -6.243 -5.175 8.465 379 H ALA 65 HN ALA 65 -9.594 -1.581 6.557 380 HA ALA 65 HA ALA 65 -10.320 -0.478 9.135 381 1HB ALA 65 HB1 ALA 65 -10.157 1.612 7.064 382 2HB ALA 65 HB2 ALA 65 -8.620 1.042 7.712 383 3HB ALA 65 HB3 ALA 65 -9.844 1.699 8.797 384 H THR 66 HN THR 66 -12.399 0.567 9.136 385 HA THR 66 HA THR 66 -14.082 -0.076 6.808 386 HB THR 66 HB THR 66 -14.815 -0.453 9.720 387 HG1 THR 66 HG1 THR 66 -13.997 -2.343 9.444 388 H SER 67 HN SER 67 -15.407 1.562 6.151 389 HA SER 67 HA SER 67 -16.388 3.551 7.937 390 1HB SER 67 HB2 SER 67 -13.816 4.009 6.777 391 2HB SER 67 HB1 SER 67 -14.958 5.142 6.072 392 HG SER 67 HG SER 67 -15.165 6.117 7.939 393 H ASP 68 HN ASP 68 -17.685 5.191 6.827 394 HA ASP 68 HA ASP 68 -19.072 4.028 4.584 395 1HB ASP 68 HB2 ASP 68 -19.954 5.489 6.650 396 2HB ASP 68 HB1 ASP 68 -19.703 6.790 5.489 397 H ASP 69 HN ASP 69 -16.255 5.616 4.688 398 HA ASP 69 HA ASP 69 -16.784 7.066 2.180 399 1HB ASP 69 HB2 ASP 69 -15.031 7.730 4.515 400 2HB ASP 69 HB1 ASP 69 -14.593 8.308 2.910 401 H MET 70 HN MET 70 -16.283 5.522 0.744 402 HA MET 70 HA MET 70 -14.541 3.507 0.678 403 1HB MET 70 HB2 MET 70 -15.799 5.220 -1.276 404 2HB MET 70 HB1 MET 70 -14.245 4.643 -1.857 405 1HG MET 70 HG2 MET 70 -15.529 2.422 -0.719 406 2HG MET 70 HG1 MET 70 -16.750 3.268 -1.669 407 1HE MET 70 HE1 MET 70 -13.526 0.569 -2.748 408 2HE MET 70 HE2 MET 70 -13.604 1.581 -1.304 409 3HE MET 70 HE3 MET 70 -12.667 2.113 -2.710 410 H TYR 71 HN TYR 71 -13.541 6.557 -0.867 411 HA TYR 71 HA TYR 71 -10.836 5.806 -0.931 412 1HB TYR 71 HB2 TYR 71 -12.356 8.252 -1.592 413 2HB TYR 71 HB1 TYR 71 -10.626 8.444 -1.298 414 HD1 TYR 71 HD1 TYR 71 -10.339 9.086 -3.700 415 HD2 TYR 71 HD2 TYR 71 -11.798 5.258 -2.555 416 HE1 TYR 71 HE1 TYR 71 -9.851 8.224 -5.952 417 HE2 TYR 71 HE2 TYR 71 -11.308 4.380 -4.780 418 HH TYR 71 HH TYR 71 -10.991 5.180 -7.045 419 H LYS 72 HN LYS 72 -12.695 7.215 1.595 420 HA LYS 72 HA LYS 72 -10.438 8.323 2.993 421 1HB LYS 72 HB2 LYS 72 -12.790 9.083 3.320 422 2HB LYS 72 HB1 LYS 72 -13.075 7.556 4.119 423 1HG LYS 72 HG2 LYS 72 -11.828 8.109 5.963 424 2HG LYS 72 HG1 LYS 72 -10.866 9.290 5.073 425 1HD LYS 72 HD2 LYS 72 -13.274 10.439 4.851 426 2HD LYS 72 HD1 LYS 72 -13.511 9.579 6.372 427 1HE LYS 72 HE2 LYS 72 -11.058 10.675 6.763 428 2HE LYS 72 HE1 LYS 72 -11.820 11.901 5.753 429 1HZ LYS 72 HZ1 LYS 72 -13.710 11.872 7.343 430 2HZ LYS 72 HZ2 LYS 72 -12.259 12.422 8.017 431 3HZ LYS 72 HZ3 LYS 72 -12.805 10.856 8.350 432 H ALA 73 HN ALA 73 -12.336 5.349 3.013 433 HA ALA 73 HA ALA 73 -11.095 4.098 5.223 434 1HB ALA 73 HB1 ALA 73 -11.994 2.454 2.904 435 2HB ALA 73 HB2 ALA 73 -13.206 3.420 3.748 436 3HB ALA 73 HB3 ALA 73 -12.270 2.213 4.630 437 H ILE 74 HN ILE 74 -10.514 4.153 1.759 438 HA ILE 74 HA ILE 74 -8.163 2.559 1.741 439 HB ILE 74 HB ILE 74 -9.428 4.532 -0.133 440 H ASN 75 HN ASN 75 -8.955 5.922 2.147 441 HA ASN 75 HA ASN 75 -6.448 7.118 2.208 442 1HB ASN 75 HB2 ASN 75 -8.974 7.961 2.332 443 2HB ASN 75 HB1 ASN 75 -8.630 8.047 4.049 444 H GLU 76 HN GLU 76 -8.347 5.461 4.646 445 HA GLU 76 HA GLU 76 -6.583 5.962 6.832 446 1HB GLU 76 HB2 GLU 76 -9.143 4.864 6.481 447 2HB GLU 76 HB1 GLU 76 -8.166 3.553 7.131 448 1HG GLU 76 HG2 GLU 76 -8.503 6.283 8.354 449 2HG GLU 76 HG1 GLU 76 -9.267 4.790 8.903 450 H VAL 77 HN VAL 77 -7.245 3.033 4.881 451 HA VAL 77 HA VAL 77 -5.369 1.321 5.925 452 HB VAL 77 HB VAL 77 -5.800 1.501 2.954 453 H GLU 78 HN GLU 78 -4.910 3.580 3.215 454 HA GLU 78 HA GLU 78 -2.217 3.065 2.779 455 1HB GLU 78 HB2 GLU 78 -3.601 4.400 1.244 456 2HB GLU 78 HB1 GLU 78 -3.682 5.690 2.435 457 1HG GLU 78 HG2 GLU 78 -2.065 6.330 0.844 458 2HG GLU 78 HG1 GLU 78 -1.185 5.848 2.294 459 H GLU 79 HN GLU 79 -3.811 5.024 5.179 460 HA GLU 79 HA GLU 79 -1.492 6.396 6.092 461 1HB GLU 79 HB2 GLU 79 -4.293 6.254 6.792 462 2HB GLU 79 HB1 GLU 79 -3.300 6.182 8.242 463 1HG GLU 79 HG2 GLU 79 -2.113 8.210 6.880 464 2HG GLU 79 HG1 GLU 79 -3.799 8.402 6.403 465 H LYS 80 HN LYS 80 -3.183 3.439 7.075 466 HA LYS 80 HA LYS 80 -1.444 2.873 9.261 467 1HB LYS 80 HB2 LYS 80 -3.782 1.721 8.114 468 2HB LYS 80 HB1 LYS 80 -2.564 0.460 8.204 469 1HG LYS 80 HG2 LYS 80 -2.324 1.569 10.659 470 2HG LYS 80 HG1 LYS 80 -4.041 1.822 10.342 471 1HD LYS 80 HD2 LYS 80 -3.684 -0.758 9.515 472 2HD LYS 80 HD1 LYS 80 -2.566 -0.652 10.876 473 1HE LYS 80 HE2 LYS 80 -4.233 -0.343 12.400 474 2HE LYS 80 HE1 LYS 80 -5.287 0.471 11.244 475 1HZ LYS 80 HZ1 LYS 80 -5.885 -1.594 10.282 476 2HZ LYS 80 HZ2 LYS 80 -6.041 -1.780 11.956 477 3HZ LYS 80 HZ3 LYS 80 -4.704 -2.436 11.154 478 H LEU 81 HN LEU 81 -1.586 1.868 5.877 479 HA LEU 81 HA LEU 81 0.580 0.063 5.963 480 1HB LEU 81 HB2 LEU 81 -1.211 1.079 4.003 481 2HB LEU 81 HB1 LEU 81 0.413 1.319 3.390 482 HG LEU 81 HG LEU 81 -0.829 -0.853 2.787 483 H GLU 82 HN GLU 82 0.400 3.539 5.190 484 HA GLU 82 HA GLU 82 3.171 3.806 4.611 485 1HB GLU 82 HB2 GLU 82 1.317 5.410 3.966 486 2HB GLU 82 HB1 GLU 82 1.352 5.987 5.623 487 1HG GLU 82 HG2 GLU 82 3.289 7.101 5.343 488 2HG GLU 82 HG1 GLU 82 3.938 5.913 4.215 489 H ARG 83 HN ARG 83 1.251 4.733 7.470 490 HA ARG 83 HA ARG 83 3.298 5.559 9.132 491 1HB ARG 83 HB2 ARG 83 0.883 5.694 9.694 492 2HB ARG 83 HB1 ARG 83 0.864 3.955 9.952 493 1HG ARG 83 HG2 ARG 83 1.473 4.251 12.055 494 2HG ARG 83 HG1 ARG 83 2.960 5.039 11.523 495 1HD ARG 83 HD2 ARG 83 0.712 6.827 11.279 496 2HD ARG 83 HD1 ARG 83 0.826 6.191 12.918 497 HE ARG 83 HE ARG 83 2.760 7.386 13.222 498 1HH1 ARG 83 HH11 ARG 83 1.956 7.355 9.826 499 2HH1 ARG 83 HH12 ARG 83 3.155 8.531 9.404 500 1HH2 ARG 83 HH21 ARG 83 4.338 8.931 12.668 501 2HH2 ARG 83 HH22 ARG 83 4.507 9.425 11.017 502 H GLN 84 HN GLN 84 2.022 2.284 8.659 503 HA GLN 84 HA GLN 84 3.773 0.957 10.407 504 1HB GLN 84 HB2 GLN 84 2.246 0.077 7.968 505 2HB GLN 84 HB1 GLN 84 3.301 -1.033 8.835 506 1HG GLN 84 HG2 GLN 84 2.000 -0.831 10.815 507 2HG GLN 84 HG1 GLN 84 1.044 0.472 10.114 508 H LEU 85 HN LEU 85 3.996 1.743 6.951 509 HA LEU 85 HA LEU 85 6.393 0.506 6.303 510 1HB LEU 85 HB2 LEU 85 4.795 2.699 5.261 511 2HB LEU 85 HB1 LEU 85 6.506 3.010 5.052 512 HG LEU 85 HG LEU 85 5.531 0.338 4.213 513 H ASN 86 HN ASN 86 5.809 3.691 7.734 514 HA ASN 86 HA ASN 86 8.495 4.463 8.030 515 1HB ASN 86 HB2 ASN 86 6.292 5.843 8.335 516 2HB ASN 86 HB1 ASN 86 6.370 5.268 9.999 517 H LYS 87 HN LYS 87 6.307 2.588 10.059 518 HA LYS 87 HA LYS 87 7.972 2.372 12.328 519 1HB LYS 87 HB2 LYS 87 5.487 1.290 11.464 520 2HB LYS 87 HB1 LYS 87 6.515 -0.068 11.910 521 1HG LYS 87 HG2 LYS 87 6.937 1.076 14.092 522 2HG LYS 87 HG1 LYS 87 5.721 2.269 13.635 523 1HD LYS 87 HD2 LYS 87 4.042 0.511 13.465 524 2HD LYS 87 HD1 LYS 87 5.256 -0.703 13.871 525 1HE LYS 87 HE2 LYS 87 5.612 0.549 16.031 526 2HE LYS 87 HE1 LYS 87 4.183 1.497 15.623 527 1HZ LYS 87 HZ1 LYS 87 2.924 -0.601 15.520 528 2HZ LYS 87 HZ2 LYS 87 3.563 -0.302 17.057 529 3HZ LYS 87 HZ3 LYS 87 4.298 -1.440 16.044 530 H LEU 88 HN LEU 88 7.580 0.296 9.465 531 HA LEU 88 HA LEU 88 9.453 -1.649 10.169 532 1HB LEU 88 HB2 LEU 88 9.020 -0.695 7.344 533 2HB LEU 88 HB1 LEU 88 9.487 -2.295 7.877 534 HG LEU 88 HG LEU 88 6.775 -1.011 8.087 535 H GLN 89 HN GLN 89 9.820 1.195 8.098 536 HA GLN 89 HA GLN 89 12.576 1.039 7.672 537 1HB GLN 89 HB2 GLN 89 10.840 3.512 7.885 538 2HB GLN 89 HB1 GLN 89 12.471 3.485 7.231 539 1HG GLN 89 HG2 GLN 89 11.689 1.927 5.474 540 2HG GLN 89 HG1 GLN 89 10.050 2.111 6.089 541 H HIS 90 HN HIS 90 10.725 2.125 10.397 542 HA HIS 90 HA HIS 90 12.890 3.431 11.763 543 1HB HIS 90 HB2 HIS 90 10.098 2.597 12.522 544 2HB HIS 90 HB1 HIS 90 11.208 3.246 13.712 545 HD1 HIS 90 HD1 HIS 90 12.351 5.293 11.360 546 HD2 HIS 90 HD2 HIS 90 8.510 4.935 12.904 547 HE1 HIS 90 HE1 HIS 90 11.240 7.504 10.916 548 HE2 HIS 90 HE2 HIS 90 8.889 7.234 11.781 549 H LYS 91 HN LYS 91 11.306 0.298 11.828 550 HA LYS 91 HA LYS 91 12.297 -0.795 14.130 551 1HB LYS 91 HB2 LYS 91 10.716 -1.775 12.310 552 2HB LYS 91 HB1 LYS 91 12.193 -2.429 11.615 553 1HG LYS 91 HG2 LYS 91 11.214 -4.117 12.969 554 2HG LYS 91 HG1 LYS 91 12.649 -3.528 13.809 555 1HD LYS 91 HD2 LYS 91 11.193 -2.067 15.181 556 2HD LYS 91 HD1 LYS 91 9.784 -2.773 14.387 557 1HE LYS 91 HE2 LYS 91 11.836 -4.350 15.933 558 2HE LYS 91 HE1 LYS 91 10.316 -3.770 16.610 559 1HZ LYS 91 HZ1 LYS 91 10.673 -5.725 14.409 560 2HZ LYS 91 HZ2 LYS 91 9.178 -5.046 14.817 561 3HZ LYS 91 HZ3 LYS 91 10.004 -6.008 15.937 562 H SER 92 HN SER 92 14.041 -2.346 14.493 563 HA SER 92 HA SER 92 16.216 -3.008 14.474 564 1HB SER 92 HB2 SER 92 16.419 -2.018 11.630 565 2HB SER 92 HB1 SER 92 17.343 -3.305 12.404 566 HG SER 92 HG SER 92 14.640 -3.316 11.588 567 H GLU 93 HN GLU 93 18.464 -2.165 14.338 568 HA GLU 93 HA GLU 93 18.465 0.655 15.052 569 1HB GLU 93 HB2 GLU 93 20.548 -1.517 15.289 570 2HB GLU 93 HB1 GLU 93 20.853 0.160 15.722 571 1HG GLU 93 HG2 GLU 93 19.479 0.080 17.563 572 2HG GLU 93 HG1 GLU 93 18.530 -1.263 16.928 573 H SER 94 HN SER 94 20.099 -1.521 12.774 574 HA SER 94 HA SER 94 21.635 0.515 11.526 575 1HB SER 94 HB2 SER 94 20.855 -1.998 10.088 576 2HB SER 94 HB1 SER 94 22.397 -1.142 10.084 577 HG SER 94 HG SER 94 22.740 -1.878 12.206 578 H ARG 95 HN ARG 95 20.537 2.216 10.714 579 HA ARG 95 HA ARG 95 18.406 1.639 8.761 580 1HB ARG 95 HB2 ARG 95 18.347 3.289 11.056 581 2HB ARG 95 HB1 ARG 95 18.336 4.365 9.667 582 1HG ARG 95 HG2 ARG 95 16.517 2.299 9.090 583 2HG ARG 95 HG1 ARG 95 16.214 2.795 10.756 584 1HD ARG 95 HD2 ARG 95 16.475 4.767 8.501 585 2HD ARG 95 HD1 ARG 95 14.937 4.027 8.936 586 HE ARG 95 HE ARG 95 14.996 5.172 11.001 587 1HH1 ARG 95 HH11 ARG 95 17.661 6.038 8.906 588 2HH1 ARG 95 HH12 ARG 95 18.023 7.491 9.771 589 1HH2 ARG 95 HH21 ARG 95 15.477 7.084 12.127 590 2HH2 ARG 95 HH22 ARG 95 16.787 8.086 11.596 591 H ARG 96 HN ARG 96 21.184 1.659 8.131 592 HA ARG 96 HA ARG 96 21.272 3.996 6.341 593 1HB ARG 96 HB2 ARG 96 23.712 2.697 7.553 594 2HB ARG 96 HB1 ARG 96 23.638 4.190 6.629 595 1HG ARG 96 HG2 ARG 96 22.039 4.926 8.588 596 2HG ARG 96 HG1 ARG 96 22.923 3.674 9.463 597 1HD ARG 96 HD2 ARG 96 24.559 5.547 7.877 598 2HD ARG 96 HD1 ARG 96 23.738 6.236 9.276 599 HE ARG 96 HE ARG 96 25.946 4.395 9.291 600 1HH1 ARG 96 HH11 ARG 96 23.237 5.633 11.111 601 2HH1 ARG 96 HH12 ARG 96 23.915 5.210 12.647 602 1HH2 ARG 96 HH21 ARG 96 26.840 3.839 11.312 603 2HH2 ARG 96 HH22 ARG 96 25.961 4.194 12.761 604 H ALA 97 HN ALA 97 22.808 3.621 4.467 605 HA ALA 97 HA ALA 97 23.333 2.474 2.574 606 1HB ALA 97 HB1 ALA 97 24.690 1.190 4.281 607 2HB ALA 97 HB2 ALA 97 24.310 0.334 2.786 608 3HB ALA 97 HB3 ALA 97 23.404 -0.017 4.258 609 H ASP 98 HN ASP 98 21.730 2.381 1.142 610 HA ASP 98 HA ASP 98 19.923 0.115 1.184 611 1HB ASP 98 HB2 ASP 98 17.900 1.522 0.932 612 2HB ASP 98 HB1 ASP 98 18.669 1.729 2.502 613 H GLU 99 HN GLU 99 20.611 -0.632 -0.752 614 HA GLU 99 HA GLU 99 20.868 -0.802 -3.004 615 1HB GLU 99 HB2 GLU 99 18.782 1.349 -2.804 616 2HB GLU 99 HB1 GLU 99 19.422 0.866 -4.369 617 1HG GLU 99 HG2 GLU 99 18.816 -1.546 -3.327 618 2HG GLU 99 HG1 GLU 99 17.592 -0.541 -2.553 619 H ARG 100 HN ARG 100 22.867 -0.331 -3.650 620 HA ARG 100 HA ARG 100 23.874 2.389 -3.508 621 1HB ARG 100 HB2 ARG 100 25.993 1.310 -4.374 622 2HB ARG 100 HB1 ARG 100 25.431 0.742 -2.807 623 1HG ARG 100 HG2 ARG 100 24.993 -1.338 -3.562 624 2HG ARG 100 HG1 ARG 100 24.483 -0.772 -5.154 625 1HD ARG 100 HD2 ARG 100 26.440 -1.598 -5.863 626 2HD ARG 100 HD1 ARG 100 27.141 -0.145 -5.155 627 HE ARG 100 HE ARG 100 27.328 -2.846 -4.147 628 1HH1 ARG 100 HH11 ARG 100 27.656 0.551 -3.406 629 2HH1 ARG 100 HH12 ARG 100 28.711 0.282 -2.061 630 1HH2 ARG 100 HH21 ARG 100 28.714 -3.198 -2.378 631 2HH2 ARG 100 HH22 ARG 100 29.312 -1.845 -1.477 632 H LEU 101 HN LEU 101 25.061 3.293 -5.396 633 HA LEU 101 HA LEU 101 23.350 3.323 -7.683 634 1HB LEU 101 HB2 LEU 101 25.584 4.866 -6.660 635 2HB LEU 101 HB1 LEU 101 25.718 4.615 -8.389 636 HG LEU 101 HG LEU 101 24.578 6.727 -7.803 637 H LYS 102 HN LYS 102 23.325 1.613 -9.002 638 HA LYS 102 HA LYS 102 25.775 0.878 -10.365 639 1HB LYS 102 HB2 LYS 102 25.147 -0.612 -8.182 640 2HB LYS 102 HB1 LYS 102 24.271 -1.487 -9.431 641 1HG LYS 102 HG2 LYS 102 26.426 -2.476 -9.194 642 2HG LYS 102 HG1 LYS 102 26.385 -1.618 -10.735 643 1HD LYS 102 HD2 LYS 102 27.893 -0.054 -10.058 644 2HD LYS 102 HD1 LYS 102 27.354 -0.107 -8.378 645 1HE LYS 102 HE2 LYS 102 28.623 -2.568 -9.373 646 2HE LYS 102 HE1 LYS 102 29.683 -1.162 -9.276 647 1HZ LYS 102 HZ1 LYS 102 29.911 -1.855 -7.164 648 2HZ LYS 102 HZ2 LYS 102 28.448 -2.702 -7.149 649 3HZ LYS 102 HZ3 LYS 102 28.455 -1.026 -6.919 650 H ASP 103 HN ASP 103 25.360 -0.574 -12.215 651 HA ASP 103 HA ASP 103 22.760 0.059 -13.399 652 1HB ASP 103 HB2 ASP 103 25.480 -0.375 -14.429 653 2HB ASP 103 HB1 ASP 103 24.213 -1.120 -15.400 654 H SER 104 HN SER 104 22.346 -1.828 -15.231 655 HA SER 104 HA SER 104 22.508 -4.444 -13.943 656 1HB SER 104 HB2 SER 104 20.036 -4.790 -14.452 657 2HB SER 104 HB1 SER 104 20.402 -3.713 -13.105 658 HG SER 104 HG SER 104 20.104 -1.955 -14.563 659 H PHE 105 HN PHE 105 21.536 -6.160 -15.449 660 HA PHE 105 HA PHE 105 22.711 -5.755 -18.065 661 1HB PHE 105 HB2 PHE 105 21.964 -8.044 -16.395 662 2HB PHE 105 HB1 PHE 105 21.599 -8.276 -18.101 663 HD1 PHE 105 HD1 PHE 105 23.380 -8.313 -19.760 664 HD2 PHE 105 HD2 PHE 105 24.227 -7.901 -15.610 665 HE1 PHE 105 HE1 PHE 105 25.736 -8.878 -20.189 666 HE2 PHE 105 HE2 PHE 105 26.585 -8.464 -16.031 667 HZ PHE 105 HZ PHE 105 27.342 -8.953 -18.322 668 H GLU 106 HN GLU 106 21.574 -6.372 -20.040 669 HA GLU 106 HA GLU 106 18.658 -6.127 -19.909 670 1HB GLU 106 HB2 GLU 106 20.541 -4.312 -21.379 671 2HB GLU 106 HB1 GLU 106 18.923 -4.598 -22.007 672 1HG GLU 106 HG2 GLU 106 19.441 -3.648 -19.206 673 2HG GLU 106 HG1 GLU 106 19.221 -2.553 -20.570 674 H ASN 107 HN ASN 107 17.973 -7.959 -20.801 675 HA ASN 107 HA ASN 107 19.172 -8.790 -23.359 676 1HB ASN 107 HB2 ASN 107 19.819 -10.250 -21.382 677 2HB ASN 107 HB1 ASN 107 18.125 -10.722 -21.288 Start of MODEL 3 1 1H MET 1 HT1 MET 1 6.300 -5.833 -9.707 2 2H MET 1 HT2 MET 1 7.442 -5.361 -8.515 3 3H MET 1 HT3 MET 1 6.280 -4.235 -9.087 4 HA MET 1 HA MET 1 5.536 -6.738 -7.755 5 1HB MET 1 HB2 MET 1 5.286 -5.295 -5.713 6 2HB MET 1 HB1 MET 1 6.949 -5.590 -6.201 7 1HG MET 1 HG2 MET 1 5.784 -3.178 -7.364 8 2HG MET 1 HG1 MET 1 5.878 -3.156 -5.605 9 1HE MET 1 HE1 MET 1 8.581 -1.231 -5.368 10 2HE MET 1 HE2 MET 1 6.981 -1.121 -6.100 11 3HE MET 1 HE3 MET 1 8.421 -0.894 -7.092 12 H THR 2 HN THR 2 3.667 -6.913 -8.971 13 HA THR 2 HA THR 2 1.917 -4.647 -9.330 14 HB THR 2 HB THR 2 0.508 -6.131 -10.575 15 HG1 THR 2 HG1 THR 2 0.329 -8.123 -10.002 16 H LEU 3 HN LEU 3 0.555 -3.953 -7.832 17 HA LEU 3 HA LEU 3 0.039 -5.329 -5.426 18 1HB LEU 3 HB2 LEU 3 -0.079 -2.956 -5.426 19 2HB LEU 3 HB1 LEU 3 -1.255 -2.942 -6.726 20 HG LEU 3 HG LEU 3 -1.959 -4.220 -4.113 21 H ASN 4 HN ASN 4 -1.112 -7.121 -5.262 22 HA ASN 4 HA ASN 4 -3.182 -7.768 -7.170 23 1HB ASN 4 HB2 ASN 4 -2.319 -9.299 -4.720 24 2HB ASN 4 HB1 ASN 4 -3.275 -9.915 -6.063 25 H ILE 5 HN ILE 5 -5.292 -8.565 -6.482 26 HA ILE 5 HA ILE 5 -6.328 -7.255 -4.063 27 HB ILE 5 HB ILE 5 -8.476 -7.142 -5.778 28 H THR 6 HN THR 6 -8.711 -8.027 -3.702 29 HA THR 6 HA THR 6 -9.147 -10.789 -4.503 30 HB THR 6 HB THR 6 -8.789 -9.968 -1.615 31 HG1 THR 6 HG1 THR 6 -6.849 -10.624 -1.985 32 H SER 7 HN SER 7 -10.314 -8.544 -1.990 33 HA SER 7 HA SER 7 -12.386 -7.829 -1.423 34 1HB SER 7 HB2 SER 7 -13.853 -7.908 -3.823 35 2HB SER 7 HB1 SER 7 -13.050 -6.522 -3.122 36 HG SER 7 HG SER 7 -12.150 -8.287 -5.112 37 H LYS 8 HN LYS 8 -13.203 -9.389 -0.143 38 HA LYS 8 HA LYS 8 -14.099 -11.908 -0.944 39 1HB LYS 8 HB2 LYS 8 -14.985 -12.138 1.215 40 2HB LYS 8 HB1 LYS 8 -13.659 -11.002 1.423 41 1HG LYS 8 HG2 LYS 8 -15.585 -9.236 1.038 42 2HG LYS 8 HG1 LYS 8 -16.585 -10.564 1.629 43 1HD LYS 8 HD2 LYS 8 -14.744 -10.692 3.500 44 2HD LYS 8 HD1 LYS 8 -14.458 -9.015 3.030 45 1HE LYS 8 HE2 LYS 8 -17.282 -9.698 3.389 46 2HE LYS 8 HE1 LYS 8 -16.313 -9.848 4.854 47 1HZ LYS 8 HZ1 LYS 8 -16.813 -7.664 4.996 48 2HZ LYS 8 HZ2 LYS 8 -17.016 -7.468 3.328 49 3HZ LYS 8 HZ3 LYS 8 -15.460 -7.505 3.993 50 H GLN 9 HN GLN 9 -15.603 -8.798 -1.254 51 HA GLN 9 HA GLN 9 -17.990 -10.108 -2.346 52 1HB GLN 9 HB2 GLN 9 -19.112 -7.852 -1.471 53 2HB GLN 9 HB1 GLN 9 -19.015 -9.304 -0.484 54 1HG GLN 9 HG2 GLN 9 -17.289 -8.458 0.814 55 2HG GLN 9 HG1 GLN 9 -16.854 -7.239 -0.383 56 H MET 10 HN MET 10 -17.479 -6.623 -2.099 57 HA MET 10 HA MET 10 -18.104 -6.135 -4.759 58 1HB MET 10 HB2 MET 10 -17.468 -3.890 -4.412 59 2HB MET 10 HB1 MET 10 -18.086 -4.465 -2.876 60 1HG MET 10 HG2 MET 10 -15.497 -4.975 -2.500 61 2HG MET 10 HG1 MET 10 -15.360 -3.635 -3.634 62 1HE MET 10 HE1 MET 10 -14.047 -2.517 -2.174 63 2HE MET 10 HE2 MET 10 -14.295 -2.329 -0.436 64 3HE MET 10 HE3 MET 10 -14.839 -1.072 -1.552 65 H ASP 11 HN ASP 11 -17.054 -6.972 -6.430 66 HA ASP 11 HA ASP 11 -14.369 -7.753 -6.431 67 1HB ASP 11 HB2 ASP 11 -15.975 -7.022 -8.882 68 2HB ASP 11 HB1 ASP 11 -14.619 -8.142 -8.787 69 H ILE 12 HN ILE 12 -13.068 -6.826 -8.576 70 HA ILE 12 HA ILE 12 -12.543 -4.035 -7.838 71 HB ILE 12 HB ILE 12 -10.561 -4.903 -9.661 72 H THR 13 HN THR 13 -12.227 -2.446 -9.421 73 HA THR 13 HA THR 13 -13.079 -3.069 -12.142 74 HB THR 13 HB THR 13 -14.344 -0.670 -11.715 75 HG1 THR 13 HG1 THR 13 -15.381 -0.758 -9.789 76 HA PRO 14 HA PRO 14 -10.151 -0.249 -13.824 77 1HB PRO 14 HB2 PRO 14 -12.375 1.676 -14.351 78 2HB PRO 14 HB1 PRO 14 -11.065 1.160 -15.420 79 1HG PRO 14 HG2 PRO 14 -13.505 0.145 -15.702 80 2HG PRO 14 HG1 PRO 14 -12.071 -0.882 -15.884 81 1HD PRO 14 HD2 PRO 14 -14.037 -0.755 -13.663 82 2HD PRO 14 HD1 PRO 14 -13.064 -2.123 -14.235 83 H ALA 15 HN ALA 15 -12.517 1.125 -11.600 84 HA ALA 15 HA ALA 15 -11.017 3.493 -11.053 85 1HB ALA 15 HB1 ALA 15 -13.480 2.238 -10.018 86 2HB ALA 15 HB2 ALA 15 -13.159 3.912 -10.472 87 3HB ALA 15 HB3 ALA 15 -12.623 3.305 -8.904 88 H ILE 16 HN ILE 16 -11.937 1.178 -8.517 89 HA ILE 16 HA ILE 16 -9.911 1.724 -6.770 90 HB ILE 16 HB ILE 16 -10.076 -0.829 -6.176 91 H ARG 17 HN ARG 17 -9.851 -0.731 -9.360 92 HA ARG 17 HA ARG 17 -7.392 -1.876 -8.996 93 1HB ARG 17 HB2 ARG 17 -9.027 -2.320 -10.874 94 2HB ARG 17 HB1 ARG 17 -8.378 -0.906 -11.688 95 1HG ARG 17 HG2 ARG 17 -6.198 -1.927 -11.819 96 2HG ARG 17 HG1 ARG 17 -6.762 -3.317 -10.891 97 1HD ARG 17 HD2 ARG 17 -8.455 -2.816 -13.182 98 2HD ARG 17 HD1 ARG 17 -6.772 -3.028 -13.661 99 HE ARG 17 HE ARG 17 -7.723 -5.025 -11.822 100 1HH1 ARG 17 HH11 ARG 17 -7.442 -4.120 -15.180 101 2HH1 ARG 17 HH12 ARG 17 -7.548 -5.748 -15.758 102 1HH2 ARG 17 HH21 ARG 17 -7.863 -7.168 -12.580 103 2HH2 ARG 17 HH22 ARG 17 -7.787 -7.479 -14.282 104 H GLU 18 HN GLU 18 -8.032 1.086 -10.859 105 HA GLU 18 HA GLU 18 -5.339 1.801 -11.265 106 1HB GLU 18 HB2 GLU 18 -7.823 2.789 -12.044 107 2HB GLU 18 HB1 GLU 18 -7.151 4.079 -11.062 108 1HG GLU 18 HG2 GLU 18 -6.199 4.725 -12.977 109 2HG GLU 18 HG1 GLU 18 -5.020 3.468 -12.606 110 H HIS 19 HN HIS 19 -7.661 2.551 -8.712 111 HA HIS 19 HA HIS 19 -6.148 4.476 -7.339 112 1HB HIS 19 HB2 HIS 19 -8.623 3.710 -7.047 113 2HB HIS 19 HB1 HIS 19 -7.952 2.511 -5.952 114 HD1 HIS 19 HD1 HIS 19 -6.630 6.033 -6.089 115 HD2 HIS 19 HD2 HIS 19 -9.039 3.612 -3.750 116 HE1 HIS 19 HE1 HIS 19 -7.032 7.345 -3.977 117 HE2 HIS 19 HE2 HIS 19 -8.580 5.897 -2.609 118 H LEU 20 HN LEU 20 -6.715 1.125 -6.300 119 HA LEU 20 HA LEU 20 -4.721 0.844 -4.442 120 1HB LEU 20 HB2 LEU 20 -5.246 -1.400 -6.342 121 2HB LEU 20 HB1 LEU 20 -4.995 -1.442 -4.606 122 HG LEU 20 HG LEU 20 -7.485 -0.448 -5.988 123 H GLU 21 HN GLU 21 -4.467 0.153 -7.925 124 HA GLU 21 HA GLU 21 -1.767 -0.558 -7.981 125 1HB GLU 21 HB2 GLU 21 -3.559 0.708 -10.051 126 2HB GLU 21 HB1 GLU 21 -1.889 0.280 -10.397 127 1HG GLU 21 HG2 GLU 21 -2.367 -2.047 -9.865 128 2HG GLU 21 HG1 GLU 21 -4.035 -1.628 -9.496 129 H GLU 22 HN GLU 22 -3.208 2.608 -8.790 130 HA GLU 22 HA GLU 22 -0.865 4.065 -9.038 131 1HB GLU 22 HB2 GLU 22 -3.642 4.822 -8.172 132 2HB GLU 22 HB1 GLU 22 -2.353 6.017 -8.173 133 1HG GLU 22 HG2 GLU 22 -2.183 4.786 -10.662 134 2HG GLU 22 HG1 GLU 22 -3.910 4.988 -10.366 135 H ARG 23 HN ARG 23 -2.639 3.118 -6.162 136 HA ARG 23 HA ARG 23 -1.273 4.712 -4.282 137 1HB ARG 23 HB2 ARG 23 -3.359 2.971 -4.100 138 2HB ARG 23 HB1 ARG 23 -2.071 2.014 -3.381 139 1HG ARG 23 HG2 ARG 23 -2.839 4.793 -2.522 140 2HG ARG 23 HG1 ARG 23 -3.363 3.306 -1.737 141 1HD ARG 23 HD2 ARG 23 -0.485 3.408 -2.084 142 2HD ARG 23 HD1 ARG 23 -1.090 4.771 -1.152 143 HE ARG 23 HE ARG 23 -1.753 3.312 0.529 144 1HH1 ARG 23 HH11 ARG 23 -0.533 1.536 -2.223 145 2HH1 ARG 23 HH12 ARG 23 -0.391 0.047 -1.353 146 1HH2 ARG 23 HH21 ARG 23 -1.566 1.352 1.668 147 2HH2 ARG 23 HH22 ARG 23 -0.978 -0.059 0.853 148 H LEU 24 HN LEU 24 -0.720 1.372 -5.377 149 HA LEU 24 HA LEU 24 1.611 0.954 -3.854 150 1HB LEU 24 HB2 LEU 24 0.073 -0.647 -5.373 151 2HB LEU 24 HB1 LEU 24 1.382 -0.370 -6.502 152 HG LEU 24 HG LEU 24 1.782 -2.421 -5.308 153 H ALA 25 HN ALA 25 1.082 2.150 -7.136 154 HA ALA 25 HA ALA 25 3.772 2.387 -7.904 155 1HB ALA 25 HB1 ALA 25 2.454 2.677 -9.729 156 2HB ALA 25 HB2 ALA 25 2.657 4.378 -9.307 157 3HB ALA 25 HB3 ALA 25 1.196 3.518 -8.823 158 H LYS 26 HN LYS 26 1.650 4.439 -6.025 159 HA LYS 26 HA LYS 26 3.423 6.687 -5.943 160 1HB LYS 26 HB2 LYS 26 0.782 6.351 -5.375 161 2HB LYS 26 HB1 LYS 26 1.464 6.354 -3.755 162 1HG LYS 26 HG2 LYS 26 1.994 8.508 -5.786 163 2HG LYS 26 HG1 LYS 26 0.699 8.579 -4.592 164 1HD LYS 26 HD2 LYS 26 2.187 9.530 -3.227 165 2HD LYS 26 HD1 LYS 26 2.927 7.934 -3.091 166 1HE LYS 26 HE2 LYS 26 4.572 8.427 -4.664 167 2HE LYS 26 HE1 LYS 26 3.654 9.773 -5.340 168 1HZ LYS 26 HZ1 LYS 26 5.351 10.749 -4.090 169 2HZ LYS 26 HZ2 LYS 26 5.159 9.677 -2.795 170 3HZ LYS 26 HZ3 LYS 26 3.990 10.863 -3.091 171 H LEU 27 HN LEU 27 2.690 3.945 -3.843 172 HA LEU 27 HA LEU 27 4.479 4.763 -1.764 173 1HB LEU 27 HB2 LEU 27 2.708 2.478 -2.296 174 2HB LEU 27 HB1 LEU 27 4.151 2.072 -1.388 175 HG LEU 27 HG LEU 27 2.018 4.063 -0.619 176 H GLY 28 HN GLY 28 4.974 3.494 -4.834 177 1HA GLY 28 HA2 GLY 28 7.116 1.712 -4.399 178 2HA GLY 28 HA1 GLY 28 6.805 2.595 -5.888 179 H LYS 29 HN LYS 29 6.950 5.198 -4.491 180 HA LYS 29 HA LYS 29 9.773 5.589 -4.770 181 1HB LYS 29 HB2 LYS 29 9.346 7.910 -4.454 182 2HB LYS 29 HB1 LYS 29 8.052 7.275 -5.453 183 1HG LYS 29 HG2 LYS 29 6.490 7.867 -3.978 184 2HG LYS 29 HG1 LYS 29 7.405 7.219 -2.618 185 1HD LYS 29 HD2 LYS 29 8.764 9.532 -3.516 186 2HD LYS 29 HD1 LYS 29 7.050 9.938 -3.416 187 1HE LYS 29 HE2 LYS 29 7.251 10.145 -1.216 188 2HE LYS 29 HE1 LYS 29 7.677 8.438 -1.108 189 1HZ LYS 29 HZ1 LYS 29 9.376 10.783 -0.973 190 2HZ LYS 29 HZ2 LYS 29 10.000 9.497 -1.877 191 3HZ LYS 29 HZ3 LYS 29 9.569 9.261 -0.258 192 H TRP 30 HN TRP 30 7.863 4.565 -2.218 193 HA TRP 30 HA TRP 30 9.355 5.790 -0.081 194 1HB TRP 30 HB2 TRP 30 7.134 3.805 -0.276 195 2HB TRP 30 HB1 TRP 30 8.062 3.894 1.211 196 HD1 TRP 30 HD1 TRP 30 5.732 6.060 -0.963 197 HE1 TRP 30 HE1 TRP 30 4.734 7.902 0.535 198 HE3 TRP 30 HE3 TRP 30 8.411 5.179 3.280 199 HZ2 TRP 30 HZ2 TRP 30 5.052 8.852 3.186 200 HZ3 TRP 30 HZ3 TRP 30 8.022 6.596 5.245 201 HH2 TRP 30 HH2 TRP 30 6.375 8.396 5.202 202 H GLN 31 HN GLN 31 11.502 5.201 -0.502 203 HA GLN 31 HA GLN 31 12.883 3.172 -1.233 204 1HB GLN 31 HB2 GLN 31 14.430 3.342 0.734 205 2HB GLN 31 HB1 GLN 31 14.024 4.871 -0.031 206 1HG GLN 31 HG2 GLN 31 12.639 3.844 2.426 207 2HG GLN 31 HG1 GLN 31 14.068 4.870 2.477 208 H THR 32 HN THR 32 11.193 1.477 -1.236 209 HA THR 32 HA THR 32 11.782 -0.486 0.805 210 HB THR 32 HB THR 32 8.935 0.258 0.105 211 HG1 THR 32 HG1 THR 32 9.383 1.859 1.408 212 H GLN 33 HN GLN 33 10.743 -2.623 0.156 213 HA GLN 33 HA GLN 33 10.430 -2.856 -2.744 214 1HB GLN 33 HB2 GLN 33 11.665 -5.124 -2.420 215 2HB GLN 33 HB1 GLN 33 12.597 -3.648 -2.599 216 1HG GLN 33 HG2 GLN 33 11.877 -4.594 0.127 217 2HG GLN 33 HG1 GLN 33 13.190 -5.383 -0.745 218 H LEU 34 HN LEU 34 8.297 -3.193 -2.659 219 HA LEU 34 HA LEU 34 6.930 -4.643 -0.741 220 1HB LEU 34 HB2 LEU 34 6.081 -4.330 -3.616 221 2HB LEU 34 HB1 LEU 34 5.045 -4.598 -2.231 222 HG LEU 34 HG LEU 34 4.709 -2.363 -2.495 223 H ILE 35 HN ILE 35 7.731 -6.620 -0.264 224 HA ILE 35 HA ILE 35 8.617 -8.550 -2.088 225 HB ILE 35 HB ILE 35 7.552 -8.856 0.720 226 H SER 36 HN SER 36 5.431 -7.774 -0.886 227 HA SER 36 HA SER 36 4.137 -9.159 -2.996 228 1HB SER 36 HB2 SER 36 4.435 -11.190 -1.828 229 2HB SER 36 HB1 SER 36 4.150 -10.434 -0.261 230 HG SER 36 HG SER 36 2.398 -11.749 -1.423 231 HA PRO 37 HA PRO 37 1.622 -5.820 -1.289 232 1HB PRO 37 HB2 PRO 37 1.145 -4.587 -3.593 233 2HB PRO 37 HB1 PRO 37 2.728 -4.485 -2.812 234 1HG PRO 37 HG2 PRO 37 1.867 -6.152 -5.136 235 2HG PRO 37 HG1 PRO 37 3.397 -5.307 -4.872 236 1HD PRO 37 HD2 PRO 37 2.928 -8.011 -4.431 237 2HD PRO 37 HD1 PRO 37 4.289 -7.074 -3.783 238 H HIS 38 HN HIS 38 -0.345 -6.450 -0.698 239 HA HIS 38 HA HIS 38 -2.243 -7.300 -2.780 240 1HB HIS 38 HB2 HIS 38 -1.494 -8.660 -0.370 241 2HB HIS 38 HB1 HIS 38 -3.187 -8.233 -0.296 242 HD1 HIS 38 HD1 HIS 38 -1.168 -10.920 -1.241 243 HD2 HIS 38 HD2 HIS 38 -4.431 -9.044 -2.991 244 HE1 HIS 38 HE1 HIS 38 -2.158 -12.619 -2.810 245 HE2 HIS 38 HE2 HIS 38 -4.058 -11.418 -3.949 246 H PHE 39 HN PHE 39 -4.514 -6.976 -2.045 247 HA PHE 39 HA PHE 39 -4.938 -4.877 -0.129 248 1HB PHE 39 HB2 PHE 39 -4.765 -4.273 -2.942 249 2HB PHE 39 HB1 PHE 39 -6.351 -3.883 -2.292 250 HD1 PHE 39 HD1 PHE 39 -2.735 -3.287 -1.812 251 HD2 PHE 39 HD2 PHE 39 -6.700 -1.990 -0.984 252 HE1 PHE 39 HE1 PHE 39 -1.848 -1.203 -0.848 253 HE2 PHE 39 HE2 PHE 39 -5.824 0.096 -0.020 254 HZ PHE 39 HZ PHE 39 -3.395 0.491 0.049 255 H VAL 40 HN VAL 40 -6.425 -5.880 1.049 256 HA VAL 40 HA VAL 40 -8.527 -7.408 -0.228 257 HB VAL 40 HB VAL 40 -7.917 -6.938 2.696 258 H LEU 41 HN LEU 41 -9.800 -5.925 -1.190 259 HA LEU 41 HA LEU 41 -10.856 -3.648 0.267 260 1HB LEU 41 HB2 LEU 41 -12.178 -3.974 -2.230 261 2HB LEU 41 HB1 LEU 41 -11.062 -2.728 -1.749 262 HG LEU 41 HG LEU 41 -9.185 -4.146 -2.539 263 H ASN 42 HN ASN 42 -12.876 -3.470 1.091 264 HA ASN 42 HA ASN 42 -14.926 -5.279 0.193 265 1HB ASN 42 HB2 ASN 42 -14.234 -5.254 3.133 266 2HB ASN 42 HB1 ASN 42 -15.502 -6.190 2.353 267 H LYS 43 HN LYS 43 -17.037 -4.809 1.179 268 HA LYS 43 HA LYS 43 -17.262 -2.008 2.090 269 1HB LYS 43 HB2 LYS 43 -18.072 -1.759 -0.071 270 2HB LYS 43 HB1 LYS 43 -18.706 -3.397 -0.145 271 1HG LYS 43 HG2 LYS 43 -20.580 -2.805 1.236 272 2HG LYS 43 HG1 LYS 43 -19.896 -1.218 1.571 273 1HD LYS 43 HD2 LYS 43 -20.837 -0.368 -0.256 274 2HD LYS 43 HD1 LYS 43 -20.060 -1.586 -1.267 275 1HE LYS 43 HE2 LYS 43 -22.493 -1.625 -1.503 276 2HE LYS 43 HE1 LYS 43 -21.877 -3.136 -0.835 277 1HZ LYS 43 HZ1 LYS 43 -23.444 -1.025 0.479 278 2HZ LYS 43 HZ2 LYS 43 -22.399 -1.971 1.413 279 3HZ LYS 43 HZ3 LYS 43 -23.646 -2.705 0.535 280 H VAL 44 HN VAL 44 -19.353 -1.598 3.182 281 HA VAL 44 HA VAL 44 -20.809 -3.896 4.113 282 HB VAL 44 HB VAL 44 -20.516 -3.053 6.500 283 HA PRO 45 HA PRO 45 -24.334 -1.289 4.251 284 1HB PRO 45 HB2 PRO 45 -24.629 -2.018 7.130 285 2HB PRO 45 HB1 PRO 45 -25.822 -2.079 5.827 286 1HG PRO 45 HG2 PRO 45 -24.659 -4.307 6.701 287 2HG PRO 45 HG1 PRO 45 -24.986 -4.068 4.974 288 1HD PRO 45 HD2 PRO 45 -22.405 -3.912 6.454 289 2HD PRO 45 HD1 PRO 45 -22.727 -4.452 4.794 290 H ASN 46 HN ASN 46 -22.374 -1.082 7.204 291 HA ASN 46 HA ASN 46 -23.144 1.648 7.689 292 1HB ASN 46 HB2 ASN 46 -21.534 1.500 9.578 293 2HB ASN 46 HB1 ASN 46 -22.742 0.219 9.589 294 H GLY 47 HN GLY 47 -21.146 0.471 5.390 295 1HA GLY 47 HA2 GLY 47 -20.022 2.696 4.461 296 2HA GLY 47 HA1 GLY 47 -18.971 2.346 5.813 297 H PHE 48 HN PHE 48 -17.217 2.010 4.623 298 HA PHE 48 HA PHE 48 -17.144 -0.429 2.995 299 1HB PHE 48 HB2 PHE 48 -15.913 2.247 2.498 300 2HB PHE 48 HB1 PHE 48 -15.222 0.816 1.795 301 HD1 PHE 48 HD1 PHE 48 -18.009 3.149 1.739 302 HD2 PHE 48 HD2 PHE 48 -16.377 -0.393 0.052 303 HE1 PHE 48 HE1 PHE 48 -19.567 3.338 -0.154 304 HE2 PHE 48 HE2 PHE 48 -17.934 -0.222 -1.841 305 HZ PHE 48 HZ PHE 48 -19.529 1.642 -1.950 306 H SER 49 HN SER 49 -15.549 -1.847 3.525 307 HA SER 49 HA SER 49 -13.558 -0.937 5.479 308 1HB SER 49 HB2 SER 49 -13.673 -3.767 5.488 309 2HB SER 49 HB1 SER 49 -14.128 -2.653 6.771 310 HG SER 49 HG SER 49 -15.869 -4.010 6.164 311 H VAL 50 HN VAL 50 -11.568 -0.932 4.833 312 HA VAL 50 HA VAL 50 -10.786 -2.659 2.579 313 HB VAL 50 HB VAL 50 -9.359 -0.082 2.802 314 H GLU 51 HN GLU 51 -9.034 -3.861 2.943 315 HA GLU 51 HA GLU 51 -7.159 -3.030 5.046 316 1HB GLU 51 HB2 GLU 51 -8.390 -4.787 6.053 317 2HB GLU 51 HB1 GLU 51 -8.381 -5.736 4.582 318 1HG GLU 51 HG2 GLU 51 -6.570 -6.809 5.241 319 2HG GLU 51 HG1 GLU 51 -5.687 -5.291 5.375 320 H ALA 52 HN ALA 52 -5.131 -2.942 4.411 321 HA ALA 52 HA ALA 52 -4.424 -4.157 1.826 322 1HB ALA 52 HB1 ALA 52 -3.258 -1.764 3.239 323 2HB ALA 52 HB2 ALA 52 -4.240 -1.766 1.774 324 3HB ALA 52 HB3 ALA 52 -2.616 -2.454 1.748 325 H SER 53 HN SER 53 -2.305 -5.038 1.555 326 HA SER 53 HA SER 53 -0.725 -5.612 3.908 327 1HB SER 53 HB2 SER 53 -0.766 -8.093 3.413 328 2HB SER 53 HB1 SER 53 -2.256 -7.439 4.092 329 HG SER 53 HG SER 53 -2.965 -7.266 1.830 330 H ILE 54 HN ILE 54 1.189 -4.917 3.148 331 HA ILE 54 HA ILE 54 2.116 -6.006 0.567 332 HB ILE 54 HB ILE 54 2.844 -3.280 1.637 333 H GLY 55 HN GLY 55 3.770 -7.351 0.889 334 1HA GLY 55 HA2 GLY 55 5.190 -7.598 3.274 335 2HA GLY 55 HA1 GLY 55 5.637 -8.315 1.755 336 H THR 56 HN THR 56 7.190 -7.122 3.853 337 HA THR 56 HA THR 56 8.879 -5.459 2.187 338 HB THR 56 HB THR 56 8.805 -3.534 3.333 339 HG1 THR 56 HG1 THR 56 8.204 -4.707 5.812 340 HA PRO 57 HA PRO 57 11.997 -7.999 4.105 341 1HB PRO 57 HB2 PRO 57 13.747 -5.614 3.968 342 2HB PRO 57 HB1 PRO 57 14.000 -7.233 3.311 343 1HG PRO 57 HG2 PRO 57 13.391 -5.138 1.748 344 2HG PRO 57 HG1 PRO 57 12.838 -6.779 1.382 345 1HD PRO 57 HD2 PRO 57 11.328 -4.458 2.466 346 2HD PRO 57 HD1 PRO 57 10.786 -5.790 1.424 347 H LEU 58 HN LEU 58 10.938 -4.923 5.273 348 HA LEU 58 HA LEU 58 12.317 -5.272 7.823 349 1HB LEU 58 HB2 LEU 58 10.823 -2.986 6.571 350 2HB LEU 58 HB1 LEU 58 11.232 -2.987 8.277 351 HG LEU 58 HG LEU 58 13.648 -3.574 7.083 352 H GLY 59 HN GLY 59 9.409 -6.115 6.425 353 1HA GLY 59 HA2 GLY 59 8.173 -7.506 8.223 354 2HA GLY 59 HA1 GLY 59 7.893 -5.933 8.930 355 H ASN 60 HN ASN 60 6.348 -8.205 7.381 356 HA ASN 60 HA ASN 60 5.193 -7.219 5.089 357 1HB ASN 60 HB2 ASN 60 3.740 -8.759 7.239 358 2HB ASN 60 HB1 ASN 60 3.334 -8.691 5.530 359 H LEU 61 HN LEU 61 4.142 -5.377 4.701 360 HA LEU 61 HA LEU 61 3.065 -3.777 6.820 361 1HB LEU 61 HB2 LEU 61 2.950 -3.511 3.817 362 2HB LEU 61 HB1 LEU 61 2.153 -2.388 4.891 363 HG LEU 61 HG LEU 61 5.030 -2.794 5.408 364 H LEU 62 HN LEU 62 0.955 -3.445 7.368 365 HA LEU 62 HA LEU 62 -1.156 -4.678 5.828 366 1HB LEU 62 HB2 LEU 62 -0.956 -5.342 8.747 367 2HB LEU 62 HB1 LEU 62 -2.044 -6.020 7.559 368 HG LEU 62 HG LEU 62 0.937 -6.450 7.465 369 H ALA 63 HN ALA 63 -3.182 -3.838 6.283 370 HA ALA 63 HA ALA 63 -3.557 -1.913 8.385 371 1HB ALA 63 HB1 ALA 63 -2.451 -0.398 6.976 372 2HB ALA 63 HB2 ALA 63 -4.167 -0.080 6.721 373 3HB ALA 63 HB3 ALA 63 -3.258 -1.016 5.535 374 H SER 64 HN SER 64 -5.743 -0.994 8.374 375 HA SER 64 HA SER 64 -7.723 -2.095 6.625 376 1HB SER 64 HB2 SER 64 -8.871 -3.032 8.904 377 2HB SER 64 HB1 SER 64 -7.960 -4.034 7.774 378 HG SER 64 HG SER 64 -6.112 -3.678 9.073 379 H ALA 65 HN ALA 65 -9.449 -0.773 6.544 380 HA ALA 65 HA ALA 65 -10.057 0.932 8.834 381 1HB ALA 65 HB1 ALA 65 -9.393 2.003 6.097 382 2HB ALA 65 HB2 ALA 65 -8.519 2.296 7.601 383 3HB ALA 65 HB3 ALA 65 -10.143 2.949 7.384 384 H THR 66 HN THR 66 -12.164 1.567 8.980 385 HA THR 66 HA THR 66 -13.987 0.660 6.853 386 HB THR 66 HB THR 66 -14.457 0.537 9.839 387 HG1 THR 66 HG1 THR 66 -13.564 -1.333 9.671 388 H SER 67 HN SER 67 -15.211 2.268 6.031 389 HA SER 67 HA SER 67 -16.345 4.299 7.687 390 1HB SER 67 HB2 SER 67 -13.770 4.803 6.532 391 2HB SER 67 HB1 SER 67 -14.955 5.858 5.776 392 HG SER 67 HG SER 67 -15.629 6.361 7.996 393 H ASP 68 HN ASP 68 -17.731 5.764 6.479 394 HA ASP 68 HA ASP 68 -19.045 4.420 4.328 395 1HB ASP 68 HB2 ASP 68 -20.485 6.498 4.329 396 2HB ASP 68 HB1 ASP 68 -20.426 5.619 5.853 397 H ASP 69 HN ASP 69 -16.246 6.115 4.296 398 HA ASP 69 HA ASP 69 -16.795 7.242 1.635 399 1HB ASP 69 HB2 ASP 69 -16.215 8.929 3.352 400 2HB ASP 69 HB1 ASP 69 -14.678 8.115 3.609 401 H MET 70 HN MET 70 -16.258 5.647 0.333 402 HA MET 70 HA MET 70 -14.543 3.613 0.416 403 1HB MET 70 HB2 MET 70 -15.939 3.830 -1.449 404 2HB MET 70 HB1 MET 70 -15.325 5.424 -1.839 405 1HG MET 70 HG2 MET 70 -13.934 4.532 -3.297 406 2HG MET 70 HG1 MET 70 -13.156 3.614 -2.010 407 1HE MET 70 HE1 MET 70 -13.826 1.144 -1.335 408 2HE MET 70 HE2 MET 70 -12.620 1.385 -2.607 409 3HE MET 70 HE3 MET 70 -13.851 0.129 -2.780 410 H TYR 71 HN TYR 71 -13.503 6.474 -1.400 411 HA TYR 71 HA TYR 71 -10.817 5.656 -1.382 412 1HB TYR 71 HB2 TYR 71 -12.267 8.049 -2.351 413 2HB TYR 71 HB1 TYR 71 -10.516 8.173 -2.156 414 HD1 TYR 71 HD1 TYR 71 -10.359 8.440 -4.662 415 HD2 TYR 71 HD2 TYR 71 -11.874 4.901 -2.848 416 HE1 TYR 71 HE1 TYR 71 -10.023 7.211 -6.767 417 HE2 TYR 71 HE2 TYR 71 -11.533 3.660 -4.922 418 HH TYR 71 HH TYR 71 -10.609 3.730 -6.992 419 H LYS 72 HN LYS 72 -12.587 7.445 0.959 420 HA LYS 72 HA LYS 72 -10.252 8.647 2.140 421 1HB LYS 72 HB2 LYS 72 -12.531 9.574 2.426 422 2HB LYS 72 HB1 LYS 72 -12.901 8.160 3.382 423 1HG LYS 72 HG2 LYS 72 -10.643 9.083 4.593 424 2HG LYS 72 HG1 LYS 72 -11.465 10.571 4.118 425 1HD LYS 72 HD2 LYS 72 -13.528 9.696 5.211 426 2HD LYS 72 HD1 LYS 72 -12.580 8.329 5.801 427 1HE LYS 72 HE2 LYS 72 -11.102 10.580 6.507 428 2HE LYS 72 HE1 LYS 72 -12.776 11.025 6.830 429 1HZ LYS 72 HZ1 LYS 72 -12.684 8.568 7.868 430 2HZ LYS 72 HZ2 LYS 72 -12.388 9.975 8.759 431 3HZ LYS 72 HZ3 LYS 72 -11.093 9.071 8.151 432 H ALA 73 HN ALA 73 -12.222 5.760 2.524 433 HA ALA 73 HA ALA 73 -11.001 4.744 4.869 434 1HB ALA 73 HB1 ALA 73 -12.087 2.702 4.386 435 2HB ALA 73 HB2 ALA 73 -12.107 3.027 2.653 436 3HB ALA 73 HB3 ALA 73 -13.165 3.935 3.732 437 H ILE 74 HN ILE 74 -10.480 4.334 1.415 438 HA ILE 74 HA ILE 74 -8.172 2.696 1.549 439 HB ILE 74 HB ILE 74 -9.434 4.466 -0.512 440 H ASN 75 HN ASN 75 -8.854 6.107 1.579 441 HA ASN 75 HA ASN 75 -6.309 7.220 1.477 442 1HB ASN 75 HB2 ASN 75 -8.808 8.152 1.529 443 2HB ASN 75 HB1 ASN 75 -8.430 8.430 3.219 444 H GLU 76 HN GLU 76 -8.236 5.946 4.122 445 HA GLU 76 HA GLU 76 -6.445 6.643 6.220 446 1HB GLU 76 HB2 GLU 76 -9.014 5.498 5.987 447 2HB GLU 76 HB1 GLU 76 -8.028 4.306 6.827 448 1HG GLU 76 HG2 GLU 76 -7.346 6.621 8.108 449 2HG GLU 76 HG1 GLU 76 -9.051 6.879 7.741 450 H VAL 77 HN VAL 77 -7.135 3.536 4.584 451 HA VAL 77 HA VAL 77 -5.264 1.928 5.805 452 HB VAL 77 HB VAL 77 -5.698 1.778 2.834 453 H GLU 78 HN GLU 78 -4.832 3.950 2.919 454 HA GLU 78 HA GLU 78 -2.155 3.377 2.456 455 1HB GLU 78 HB2 GLU 78 -3.433 4.585 0.808 456 2HB GLU 78 HB1 GLU 78 -3.734 5.900 1.934 457 1HG GLU 78 HG2 GLU 78 -1.369 6.479 1.908 458 2HG GLU 78 HG1 GLU 78 -1.048 5.144 0.803 459 H GLU 79 HN GLU 79 -3.678 5.541 4.731 460 HA GLU 79 HA GLU 79 -1.319 6.924 5.508 461 1HB GLU 79 HB2 GLU 79 -4.098 6.965 6.191 462 2HB GLU 79 HB1 GLU 79 -3.164 6.846 7.676 463 1HG GLU 79 HG2 GLU 79 -1.772 8.778 6.544 464 2HG GLU 79 HG1 GLU 79 -3.284 9.034 5.675 465 H LYS 80 HN LYS 80 -3.064 4.104 6.777 466 HA LYS 80 HA LYS 80 -1.289 3.688 8.963 467 1HB LYS 80 HB2 LYS 80 -3.663 2.476 7.954 468 2HB LYS 80 HB1 LYS 80 -2.462 1.211 8.150 469 1HG LYS 80 HG2 LYS 80 -2.162 2.518 10.485 470 2HG LYS 80 HG1 LYS 80 -3.872 2.815 10.169 471 1HD LYS 80 HD2 LYS 80 -4.294 0.448 9.976 472 2HD LYS 80 HD1 LYS 80 -2.572 0.094 10.126 473 1HE LYS 80 HE2 LYS 80 -2.537 0.845 12.389 474 2HE LYS 80 HE1 LYS 80 -4.169 1.499 12.257 475 1HZ LYS 80 HZ1 LYS 80 -3.299 -1.233 12.693 476 2HZ LYS 80 HZ2 LYS 80 -4.598 -1.051 11.626 477 3HZ LYS 80 HZ3 LYS 80 -4.709 -0.450 13.204 478 H LEU 81 HN LEU 81 -1.516 2.353 5.692 479 HA LEU 81 HA LEU 81 0.632 0.545 5.913 480 1HB LEU 81 HB2 LEU 81 -1.178 1.391 3.891 481 2HB LEU 81 HB1 LEU 81 0.439 1.549 3.235 482 HG LEU 81 HG LEU 81 -0.835 -0.655 2.863 483 H GLU 82 HN GLU 82 0.489 3.937 4.821 484 HA GLU 82 HA GLU 82 3.246 4.107 4.158 485 1HB GLU 82 HB2 GLU 82 1.479 5.704 3.394 486 2HB GLU 82 HB1 GLU 82 1.423 6.355 5.024 487 1HG GLU 82 HG2 GLU 82 4.091 6.247 3.805 488 2HG GLU 82 HG1 GLU 82 2.947 7.350 3.039 489 H ARG 83 HN ARG 83 1.433 5.336 6.967 490 HA ARG 83 HA ARG 83 3.524 6.239 8.514 491 1HB ARG 83 HB2 ARG 83 0.888 4.984 9.212 492 2HB ARG 83 HB1 ARG 83 2.033 5.375 10.489 493 1HG ARG 83 HG2 ARG 83 1.952 7.685 8.997 494 2HG ARG 83 HG1 ARG 83 0.284 7.112 8.950 495 1HD ARG 83 HD2 ARG 83 1.958 7.626 11.404 496 2HD ARG 83 HD1 ARG 83 0.578 8.573 10.847 497 HE ARG 83 HE ARG 83 0.509 6.097 12.306 498 1HH1 ARG 83 HH11 ARG 83 -1.250 8.192 10.141 499 2HH1 ARG 83 HH12 ARG 83 -2.802 7.585 10.613 500 1HH2 ARG 83 HH21 ARG 83 -1.530 5.296 12.928 501 2HH2 ARG 83 HH22 ARG 83 -2.961 5.941 12.195 502 H GLN 84 HN GLN 84 2.243 2.949 8.256 503 HA GLN 84 HA GLN 84 4.011 1.752 10.096 504 1HB GLN 84 HB2 GLN 84 2.420 0.684 7.777 505 2HB GLN 84 HB1 GLN 84 3.477 -0.357 8.724 506 1HG GLN 84 HG2 GLN 84 2.211 0.019 10.693 507 2HG GLN 84 HG1 GLN 84 1.280 1.298 9.917 508 H LEU 85 HN LEU 85 4.156 2.236 6.578 509 HA LEU 85 HA LEU 85 6.520 0.921 5.973 510 1HB LEU 85 HB2 LEU 85 4.936 3.066 4.810 511 2HB LEU 85 HB1 LEU 85 6.646 3.324 4.537 512 HG LEU 85 HG LEU 85 5.609 0.618 3.916 513 H ASN 86 HN ASN 86 6.023 4.234 7.117 514 HA ASN 86 HA ASN 86 8.729 4.964 7.320 515 1HB ASN 86 HB2 ASN 86 6.465 6.357 7.554 516 2HB ASN 86 HB1 ASN 86 6.748 6.060 9.268 517 H LYS 87 HN LYS 87 6.508 3.370 9.548 518 HA LYS 87 HA LYS 87 8.166 3.367 11.824 519 1HB LYS 87 HB2 LYS 87 5.672 2.230 11.074 520 2HB LYS 87 HB1 LYS 87 6.682 0.914 11.666 521 1HG LYS 87 HG2 LYS 87 6.747 1.736 13.791 522 2HG LYS 87 HG1 LYS 87 6.560 3.412 13.270 523 1HD LYS 87 HD2 LYS 87 4.185 2.564 12.517 524 2HD LYS 87 HD1 LYS 87 4.490 1.317 13.728 525 1HE LYS 87 HE2 LYS 87 3.574 2.833 15.125 526 2HE LYS 87 HE1 LYS 87 5.203 3.507 15.120 527 1HZ LYS 87 HZ1 LYS 87 4.589 5.215 13.736 528 2HZ LYS 87 HZ2 LYS 87 3.179 5.028 14.651 529 3HZ LYS 87 HZ3 LYS 87 3.264 4.386 13.089 530 H LEU 88 HN LEU 88 7.740 0.947 9.244 531 HA LEU 88 HA LEU 88 9.612 -0.897 10.177 532 1HB LEU 88 HB2 LEU 88 9.084 -0.299 7.265 533 2HB LEU 88 HB1 LEU 88 9.651 -1.808 7.949 534 HG LEU 88 HG LEU 88 6.893 -0.625 8.231 535 H GLN 89 HN GLN 89 9.973 1.674 7.786 536 HA GLN 89 HA GLN 89 12.749 1.384 7.399 537 1HB GLN 89 HB2 GLN 89 11.001 3.827 7.041 538 2HB GLN 89 HB1 GLN 89 12.647 3.676 6.443 539 1HG GLN 89 HG2 GLN 89 11.908 1.742 5.072 540 2HG GLN 89 HG1 GLN 89 10.255 2.067 5.584 541 H HIS 90 HN HIS 90 10.882 2.986 9.845 542 HA HIS 90 HA HIS 90 13.048 4.580 10.876 543 1HB HIS 90 HB2 HIS 90 10.245 3.973 11.746 544 2HB HIS 90 HB1 HIS 90 11.352 4.745 12.860 545 HD1 HIS 90 HD1 HIS 90 10.068 6.957 12.890 546 HD2 HIS 90 HD2 HIS 90 11.342 5.830 9.098 547 HE1 HIS 90 HE1 HIS 90 9.736 8.983 11.439 548 HE2 HIS 90 HE2 HIS 90 10.591 8.303 9.169 549 H LYS 91 HN LYS 91 11.120 1.945 12.272 550 HA LYS 91 HA LYS 91 12.690 1.473 14.473 551 1HB LYS 91 HB2 LYS 91 10.540 0.118 13.090 552 2HB LYS 91 HB1 LYS 91 11.679 -1.037 13.768 553 1HG LYS 91 HG2 LYS 91 11.109 -0.561 15.892 554 2HG LYS 91 HG1 LYS 91 10.871 1.155 15.558 555 1HD LYS 91 HD2 LYS 91 8.733 0.646 14.478 556 2HD LYS 91 HD1 LYS 91 8.971 -1.069 14.815 557 1HE LYS 91 HE2 LYS 91 7.719 -0.583 16.634 558 2HE LYS 91 HE1 LYS 91 9.281 -0.089 17.288 559 1HZ LYS 91 HZ1 LYS 91 7.901 1.698 17.740 560 2HZ LYS 91 HZ2 LYS 91 7.097 1.604 16.255 561 3HZ LYS 91 HZ3 LYS 91 8.682 2.189 16.322 562 H SER 92 HN SER 92 13.516 -1.095 14.616 563 HA SER 92 HA SER 92 15.222 -1.795 12.411 564 1HB SER 92 HB2 SER 92 16.623 -1.118 14.992 565 2HB SER 92 HB1 SER 92 17.333 -1.416 13.405 566 HG SER 92 HG SER 92 15.963 0.856 14.343 567 H GLU 93 HN GLU 93 14.111 -3.762 12.544 568 HA GLU 93 HA GLU 93 14.329 -5.308 15.006 569 1HB GLU 93 HB2 GLU 93 13.066 -6.207 12.421 570 2HB GLU 93 HB1 GLU 93 12.774 -6.825 14.041 571 1HG GLU 93 HG2 GLU 93 11.023 -5.481 14.154 572 2HG GLU 93 HG1 GLU 93 12.142 -4.120 14.187 573 H SER 94 HN SER 94 14.456 -7.888 13.971 574 HA SER 94 HA SER 94 17.264 -7.981 13.146 575 1HB SER 94 HB2 SER 94 16.639 -9.233 15.175 576 2HB SER 94 HB1 SER 94 15.487 -10.179 14.233 577 HG SER 94 HG SER 94 18.067 -10.640 14.584 578 H ARG 95 HN ARG 95 17.517 -10.381 11.973 579 HA ARG 95 HA ARG 95 16.392 -9.911 9.370 580 1HB ARG 95 HB2 ARG 95 17.720 -11.893 8.704 581 2HB ARG 95 HB1 ARG 95 18.681 -10.676 9.533 582 1HG ARG 95 HG2 ARG 95 17.530 -12.776 11.244 583 2HG ARG 95 HG1 ARG 95 18.765 -13.301 10.099 584 1HD ARG 95 HD2 ARG 95 19.810 -10.976 11.161 585 2HD ARG 95 HD1 ARG 95 19.024 -11.741 12.540 586 HE ARG 95 HE ARG 95 20.674 -13.527 11.007 587 1HH1 ARG 95 HH11 ARG 95 20.624 -11.191 13.598 588 2HH1 ARG 95 HH12 ARG 95 22.045 -11.823 14.362 589 1HH2 ARG 95 HH21 ARG 95 22.541 -14.360 12.009 590 2HH2 ARG 95 HH22 ARG 95 23.133 -13.621 13.461 591 H ARG 96 HN ARG 96 15.819 -12.098 12.033 592 HA ARG 96 HA ARG 96 14.197 -13.946 10.597 593 1HB ARG 96 HB2 ARG 96 13.931 -13.464 13.549 594 2HB ARG 96 HB1 ARG 96 13.763 -14.968 12.658 595 1HG ARG 96 HG2 ARG 96 16.242 -14.783 12.158 596 2HG ARG 96 HG1 ARG 96 16.283 -13.509 13.378 597 1HD ARG 96 HD2 ARG 96 14.955 -15.420 14.733 598 2HD ARG 96 HD1 ARG 96 15.952 -16.426 13.682 599 HE ARG 96 HE ARG 96 17.802 -15.788 14.875 600 1HH1 ARG 96 HH11 ARG 96 15.150 -13.661 15.665 601 2HH1 ARG 96 HH12 ARG 96 15.994 -12.889 16.965 602 1HH2 ARG 96 HH21 ARG 96 18.912 -14.774 16.584 603 2HH2 ARG 96 HH22 ARG 96 18.129 -13.519 17.487 604 H ALA 97 HN ALA 97 11.921 -14.210 10.703 605 HA ALA 97 HA ALA 97 10.166 -12.374 11.918 606 1HB ALA 97 HB1 ALA 97 11.082 -11.718 9.171 607 2HB ALA 97 HB2 ALA 97 10.618 -10.651 10.496 608 3HB ALA 97 HB3 ALA 97 9.377 -11.477 9.553 609 H ASP 98 HN ASP 98 8.187 -13.256 12.006 610 HA ASP 98 HA ASP 98 6.476 -14.723 11.700 611 1HB ASP 98 HB2 ASP 98 7.486 -14.497 8.866 612 2HB ASP 98 HB1 ASP 98 6.070 -15.455 9.290 613 H GLU 99 HN GLU 99 5.940 -17.007 11.094 614 HA GLU 99 HA GLU 99 7.919 -18.868 10.374 615 1HB GLU 99 HB2 GLU 99 8.386 -17.951 12.904 616 2HB GLU 99 HB1 GLU 99 7.387 -19.360 13.226 617 1HG GLU 99 HG2 GLU 99 9.065 -20.744 12.814 618 2HG GLU 99 HG1 GLU 99 9.418 -19.961 11.274 619 H ARG 100 HN ARG 100 5.187 -18.342 9.812 620 HA ARG 100 HA ARG 100 4.136 -20.972 9.990 621 1HB ARG 100 HB2 ARG 100 3.689 -19.925 12.309 622 2HB ARG 100 HB1 ARG 100 2.485 -18.948 11.480 623 1HG ARG 100 HG2 ARG 100 1.116 -20.634 12.039 624 2HG ARG 100 HG1 ARG 100 1.794 -21.399 10.601 625 1HD ARG 100 HD2 ARG 100 3.567 -22.372 12.128 626 2HD ARG 100 HD1 ARG 100 2.571 -21.825 13.476 627 HE ARG 100 HE ARG 100 0.858 -23.270 11.932 628 1HH1 ARG 100 HH11 ARG 100 3.953 -23.929 13.405 629 2HH1 ARG 100 HH12 ARG 100 3.636 -25.619 13.608 630 1HH2 ARG 100 HH21 ARG 100 0.440 -25.492 12.198 631 2HH2 ARG 100 HH22 ARG 100 1.642 -26.507 12.921 632 H LEU 101 HN LEU 101 2.333 -21.282 8.656 633 HA LEU 101 HA LEU 101 1.822 -19.047 6.830 634 1HB LEU 101 HB2 LEU 101 2.561 -21.546 6.228 635 2HB LEU 101 HB1 LEU 101 0.823 -21.781 6.245 636 HG LEU 101 HG LEU 101 0.558 -20.034 4.544 637 H LYS 102 HN LYS 102 0.482 -18.358 8.866 638 HA LYS 102 HA LYS 102 -1.571 -17.827 9.684 639 1HB LYS 102 HB2 LYS 102 -2.156 -18.781 6.939 640 2HB LYS 102 HB1 LYS 102 -3.521 -18.706 8.044 641 1HG LYS 102 HG2 LYS 102 -1.789 -16.325 7.991 642 2HG LYS 102 HG1 LYS 102 -2.705 -16.650 6.518 643 1HD LYS 102 HD2 LYS 102 -4.351 -15.529 7.561 644 2HD LYS 102 HD1 LYS 102 -4.603 -17.049 8.421 645 1HE LYS 102 HE2 LYS 102 -2.780 -16.090 10.033 646 2HE LYS 102 HE1 LYS 102 -3.262 -14.543 9.338 647 1HZ LYS 102 HZ1 LYS 102 -5.399 -16.304 10.252 648 2HZ LYS 102 HZ2 LYS 102 -5.277 -14.619 10.330 649 3HZ LYS 102 HZ3 LYS 102 -4.446 -15.579 11.448 650 H ASP 103 HN ASP 103 -2.572 -20.801 8.031 651 HA ASP 103 HA ASP 103 -2.566 -22.314 10.493 652 1HB ASP 103 HB2 ASP 103 -4.793 -20.836 10.119 653 2HB ASP 103 HB1 ASP 103 -5.237 -22.278 9.210 654 H SER 104 HN SER 104 -3.957 -22.243 7.212 655 HA SER 104 HA SER 104 -3.951 -23.764 5.522 656 1HB SER 104 HB2 SER 104 -1.416 -24.312 6.966 657 2HB SER 104 HB1 SER 104 -1.973 -25.563 5.855 658 HG SER 104 HG SER 104 -0.996 -24.319 4.450 659 H PHE 105 HN PHE 105 -4.600 -25.909 4.981 660 HA PHE 105 HA PHE 105 -5.798 -27.816 5.290 661 1HB PHE 105 HB2 PHE 105 -3.636 -27.913 7.158 662 2HB PHE 105 HB1 PHE 105 -5.059 -28.617 7.919 663 HD1 PHE 105 HD1 PHE 105 -3.060 -28.761 4.785 664 HD2 PHE 105 HD2 PHE 105 -5.616 -30.818 7.496 665 HE1 PHE 105 HE1 PHE 105 -2.676 -30.855 3.552 666 HE2 PHE 105 HE2 PHE 105 -5.236 -32.916 6.268 667 HZ PHE 105 HZ PHE 105 -3.765 -32.936 4.293 668 H GLU 106 HN GLU 106 -7.378 -28.935 6.862 669 HA GLU 106 HA GLU 106 -9.357 -27.066 7.584 670 1HB GLU 106 HB2 GLU 106 -9.061 -29.985 8.310 671 2HB GLU 106 HB1 GLU 106 -10.505 -29.030 8.614 672 1HG GLU 106 HG2 GLU 106 -10.231 -28.562 6.000 673 2HG GLU 106 HG1 GLU 106 -9.459 -30.145 6.089 674 H ASN 107 HN ASN 107 -10.352 -26.887 9.761 675 HA ASN 107 HA ASN 107 -8.449 -27.187 11.966 676 1HB ASN 107 HB2 ASN 107 -8.688 -24.771 10.756 677 2HB ASN 107 HB1 ASN 107 -9.960 -24.645 11.968 Start of MODEL 4 1 1H MET 1 HT1 MET 1 5.939 -4.835 -9.926 2 2H MET 1 HT2 MET 1 5.061 -6.286 -9.657 3 3H MET 1 HT3 MET 1 6.567 -6.034 -8.872 4 HA MET 1 HA MET 1 4.505 -5.717 -7.528 5 1HB MET 1 HB2 MET 1 5.526 -3.605 -6.515 6 2HB MET 1 HB1 MET 1 6.580 -5.005 -6.655 7 1HG MET 1 HG2 MET 1 6.641 -3.211 -8.966 8 2HG MET 1 HG1 MET 1 7.202 -2.488 -7.460 9 1HE MET 1 HE1 MET 1 8.108 -4.556 -10.483 10 2HE MET 1 HE2 MET 1 9.850 -4.496 -10.214 11 3HE MET 1 HE3 MET 1 8.902 -3.008 -10.197 12 H THR 2 HN THR 2 2.861 -5.413 -9.362 13 HA THR 2 HA THR 2 2.249 -2.601 -9.874 14 HB THR 2 HB THR 2 0.832 -5.039 -10.930 15 HG1 THR 2 HG1 THR 2 2.388 -5.275 -12.302 16 H LEU 3 HN LEU 3 1.680 -4.612 -7.450 17 HA LEU 3 HA LEU 3 0.188 -4.700 -5.740 18 1HB LEU 3 HB2 LEU 3 0.296 -2.280 -5.766 19 2HB LEU 3 HB1 LEU 3 -0.886 -2.211 -7.059 20 HG LEU 3 HG LEU 3 -1.609 -3.479 -4.444 21 H ASN 4 HN ASN 4 -0.925 -6.521 -6.025 22 HA ASN 4 HA ASN 4 -2.959 -6.748 -8.066 23 1HB ASN 4 HB2 ASN 4 -2.123 -8.703 -5.927 24 2HB ASN 4 HB1 ASN 4 -3.169 -9.058 -7.297 25 H ILE 5 HN ILE 5 -5.094 -7.662 -7.522 26 HA ILE 5 HA ILE 5 -6.138 -6.630 -4.969 27 HB ILE 5 HB ILE 5 -8.299 -6.505 -6.701 28 H THR 6 HN THR 6 -8.317 -7.545 -4.457 29 HA THR 6 HA THR 6 -8.648 -10.290 -5.446 30 HB THR 6 HB THR 6 -9.339 -9.970 -2.621 31 HG1 THR 6 HG1 THR 6 -6.674 -9.551 -3.463 32 H SER 7 HN SER 7 -10.074 -7.773 -3.399 33 HA SER 7 HA SER 7 -12.244 -7.204 -2.988 34 1HB SER 7 HB2 SER 7 -12.646 -7.375 -5.951 35 2HB SER 7 HB1 SER 7 -13.218 -6.152 -4.821 36 HG SER 7 HG SER 7 -11.302 -5.191 -4.854 37 H LYS 8 HN LYS 8 -13.299 -8.790 -1.925 38 HA LYS 8 HA LYS 8 -14.136 -11.227 -3.030 39 1HB LYS 8 HB2 LYS 8 -15.193 -11.644 -0.998 40 2HB LYS 8 HB1 LYS 8 -13.910 -10.527 -0.556 41 1HG LYS 8 HG2 LYS 8 -15.668 -8.691 -0.787 42 2HG LYS 8 HG1 LYS 8 -16.851 -9.999 -0.791 43 1HD LYS 8 HD2 LYS 8 -15.609 -10.776 1.356 44 2HD LYS 8 HD1 LYS 8 -15.005 -9.119 1.395 45 1HE LYS 8 HE2 LYS 8 -17.212 -8.235 1.528 46 2HE LYS 8 HE1 LYS 8 -17.927 -9.810 1.191 47 1HZ LYS 8 HZ1 LYS 8 -16.505 -10.364 3.371 48 2HZ LYS 8 HZ2 LYS 8 -18.121 -9.866 3.417 49 3HZ LYS 8 HZ3 LYS 8 -16.883 -8.744 3.679 50 H GLN 9 HN GLN 9 -15.881 -8.160 -2.624 51 HA GLN 9 HA GLN 9 -18.057 -9.292 -4.242 52 1HB GLN 9 HB2 GLN 9 -19.246 -7.121 -3.282 53 2HB GLN 9 HB1 GLN 9 -19.190 -8.628 -2.380 54 1HG GLN 9 HG2 GLN 9 -17.410 -7.831 -1.014 55 2HG GLN 9 HG1 GLN 9 -17.199 -6.403 -2.024 56 H MET 10 HN MET 10 -17.593 -5.847 -3.699 57 HA MET 10 HA MET 10 -18.049 -5.050 -6.271 58 1HB MET 10 HB2 MET 10 -16.765 -2.972 -5.686 59 2HB MET 10 HB1 MET 10 -18.035 -3.417 -4.559 60 1HG MET 10 HG2 MET 10 -16.559 -3.999 -2.903 61 2HG MET 10 HG1 MET 10 -15.251 -4.328 -4.037 62 1HE MET 10 HE1 MET 10 -15.862 -2.061 -1.184 63 2HE MET 10 HE2 MET 10 -14.293 -1.330 -1.525 64 3HE MET 10 HE3 MET 10 -14.484 -3.079 -1.598 65 H ASP 11 HN ASP 11 -17.050 -5.827 -8.035 66 HA ASP 11 HA ASP 11 -14.448 -6.823 -8.127 67 1HB ASP 11 HB2 ASP 11 -14.683 -6.434 -10.651 68 2HB ASP 11 HB1 ASP 11 -15.880 -7.476 -9.887 69 H ILE 12 HN ILE 12 -12.766 -5.855 -9.754 70 HA ILE 12 HA ILE 12 -12.183 -3.179 -8.749 71 HB ILE 12 HB ILE 12 -10.121 -4.012 -10.516 72 H THR 13 HN THR 13 -11.807 -1.413 -10.017 73 HA THR 13 HA THR 13 -12.271 -1.609 -12.891 74 HB THR 13 HB THR 13 -13.712 0.635 -12.257 75 HG1 THR 13 HG1 THR 13 -13.583 -0.123 -10.013 76 HA PRO 14 HA PRO 14 -9.388 1.646 -13.715 77 1HB PRO 14 HB2 PRO 14 -11.668 3.580 -13.904 78 2HB PRO 14 HB1 PRO 14 -10.260 3.405 -14.960 79 1HG PRO 14 HG2 PRO 14 -12.619 2.404 -15.677 80 2HG PRO 14 HG1 PRO 14 -11.117 1.524 -16.013 81 1HD PRO 14 HD2 PRO 14 -13.233 0.953 -14.022 82 2HD PRO 14 HD1 PRO 14 -12.098 -0.156 -14.813 83 H ALA 15 HN ALA 15 -12.077 3.003 -11.779 84 HA ALA 15 HA ALA 15 -10.658 4.932 -10.397 85 1HB ALA 15 HB1 ALA 15 -12.514 3.859 -8.564 86 2HB ALA 15 HB2 ALA 15 -13.218 3.674 -10.170 87 3HB ALA 15 HB3 ALA 15 -12.708 5.267 -9.610 88 H ILE 16 HN ILE 16 -11.645 1.905 -8.794 89 HA ILE 16 HA ILE 16 -9.851 1.984 -6.698 90 HB ILE 16 HB ILE 16 -11.194 -0.283 -8.131 91 H ARG 17 HN ARG 17 -9.439 -0.054 -9.599 92 HA ARG 17 HA ARG 17 -6.927 -0.969 -9.322 93 1HB ARG 17 HB2 ARG 17 -8.498 -1.288 -11.290 94 2HB ARG 17 HB1 ARG 17 -7.864 0.220 -11.936 95 1HG ARG 17 HG2 ARG 17 -5.606 -0.761 -11.941 96 2HG ARG 17 HG1 ARG 17 -6.289 -2.284 -11.370 97 1HD ARG 17 HD2 ARG 17 -7.699 -1.292 -13.695 98 2HD ARG 17 HD1 ARG 17 -5.974 -1.470 -14.014 99 HE ARG 17 HE ARG 17 -6.793 -3.789 -12.741 100 1HH1 ARG 17 HH11 ARG 17 -7.497 -2.105 -15.715 101 2HH1 ARG 17 HH12 ARG 17 -7.884 -3.550 -16.587 102 1HH2 ARG 17 HH21 ARG 17 -7.301 -5.691 -13.887 103 2HH2 ARG 17 HH22 ARG 17 -7.773 -5.585 -15.551 104 H GLU 18 HN GLU 18 -7.635 2.104 -10.996 105 HA GLU 18 HA GLU 18 -4.979 2.980 -11.186 106 1HB GLU 18 HB2 GLU 18 -6.798 3.954 -12.512 107 2HB GLU 18 HB1 GLU 18 -7.525 4.615 -11.053 108 1HG GLU 18 HG2 GLU 18 -5.424 5.939 -10.722 109 2HG GLU 18 HG1 GLU 18 -4.916 5.401 -12.322 110 H HIS 19 HN HIS 19 -7.412 3.411 -8.666 111 HA HIS 19 HA HIS 19 -6.030 5.283 -7.093 112 1HB HIS 19 HB2 HIS 19 -8.475 4.432 -6.947 113 2HB HIS 19 HB1 HIS 19 -7.812 3.136 -5.965 114 HD1 HIS 19 HD1 HIS 19 -6.649 6.718 -5.708 115 HD2 HIS 19 HD2 HIS 19 -8.931 3.934 -3.664 116 HE1 HIS 19 HE1 HIS 19 -7.142 7.777 -3.476 117 HE2 HIS 19 HE2 HIS 19 -8.604 6.105 -2.282 118 H LEU 20 HN LEU 20 -6.478 1.827 -6.358 119 HA LEU 20 HA LEU 20 -4.526 1.495 -4.460 120 1HB LEU 20 HB2 LEU 20 -4.860 -0.614 -6.546 121 2HB LEU 20 HB1 LEU 20 -4.662 -0.779 -4.811 122 HG LEU 20 HG LEU 20 -7.163 0.169 -6.206 123 H GLU 21 HN GLU 21 -4.143 1.132 -7.977 124 HA GLU 21 HA GLU 21 -1.419 0.534 -8.021 125 1HB GLU 21 HB2 GLU 21 -3.244 1.883 -9.998 126 2HB GLU 21 HB1 GLU 21 -1.534 1.664 -10.344 127 1HG GLU 21 HG2 GLU 21 -1.879 -0.790 -9.901 128 2HG GLU 21 HG1 GLU 21 -3.609 -0.458 -9.880 129 H GLU 22 HN GLU 22 -3.013 3.704 -8.379 130 HA GLU 22 HA GLU 22 -0.727 5.284 -8.520 131 1HB GLU 22 HB2 GLU 22 -3.527 5.789 -7.573 132 2HB GLU 22 HB1 GLU 22 -2.299 7.021 -7.325 133 1HG GLU 22 HG2 GLU 22 -1.959 6.331 -9.964 134 2HG GLU 22 HG1 GLU 22 -3.706 6.248 -9.744 135 H ARG 23 HN ARG 23 -2.544 4.175 -5.682 136 HA ARG 23 HA ARG 23 -1.049 5.488 -3.717 137 1HB ARG 23 HB2 ARG 23 -2.608 2.911 -3.676 138 2HB ARG 23 HB1 ARG 23 -1.814 3.548 -2.242 139 1HG ARG 23 HG2 ARG 23 -4.088 4.737 -3.794 140 2HG ARG 23 HG1 ARG 23 -4.040 4.251 -2.101 141 1HD ARG 23 HD2 ARG 23 -2.147 6.060 -1.958 142 2HD ARG 23 HD1 ARG 23 -2.929 6.687 -3.407 143 HE ARG 23 HE ARG 23 -4.979 6.341 -1.654 144 1HH1 ARG 23 HH11 ARG 23 -1.937 8.047 -1.527 145 2HH1 ARG 23 HH12 ARG 23 -2.523 9.266 -0.447 146 1HH2 ARG 23 HH21 ARG 23 -5.751 7.945 -0.234 147 2HH2 ARG 23 HH22 ARG 23 -4.688 9.209 0.288 148 H LEU 24 HN LEU 24 -0.632 2.308 -5.225 149 HA LEU 24 HA LEU 24 1.612 1.494 -3.735 150 1HB LEU 24 HB2 LEU 24 0.380 -0.089 -5.085 151 2HB LEU 24 HB1 LEU 24 0.750 0.804 -6.546 152 HG LEU 24 HG LEU 24 3.253 0.263 -5.732 153 H ALA 25 HN ALA 25 1.303 3.235 -6.806 154 HA ALA 25 HA ALA 25 4.037 3.504 -7.375 155 1HB ALA 25 HB1 ALA 25 2.097 4.006 -8.919 156 2HB ALA 25 HB2 ALA 25 3.417 5.176 -8.939 157 3HB ALA 25 HB3 ALA 25 1.928 5.541 -8.066 158 H LYS 26 HN LYS 26 1.851 5.305 -5.315 159 HA LYS 26 HA LYS 26 3.642 7.458 -4.769 160 1HB LYS 26 HB2 LYS 26 0.963 6.916 -4.250 161 2HB LYS 26 HB1 LYS 26 1.709 6.899 -2.658 162 1HG LYS 26 HG2 LYS 26 0.996 9.104 -2.994 163 2HG LYS 26 HG1 LYS 26 2.738 9.132 -3.275 164 1HD LYS 26 HD2 LYS 26 1.038 8.618 -5.636 165 2HD LYS 26 HD1 LYS 26 0.945 10.240 -4.946 166 1HE LYS 26 HE2 LYS 26 3.683 9.434 -5.076 167 2HE LYS 26 HE1 LYS 26 2.932 9.172 -6.649 168 1HZ LYS 26 HZ1 LYS 26 3.129 11.701 -5.124 169 2HZ LYS 26 HZ2 LYS 26 2.063 11.513 -6.423 170 3HZ LYS 26 HZ3 LYS 26 3.730 11.363 -6.670 171 H LEU 27 HN LEU 27 2.886 4.368 -3.257 172 HA LEU 27 HA LEU 27 4.626 4.801 -1.016 173 1HB LEU 27 HB2 LEU 27 2.884 2.610 -1.981 174 2HB LEU 27 HB1 LEU 27 4.261 2.124 -1.010 175 HG LEU 27 HG LEU 27 1.997 3.941 -0.198 176 H GLY 28 HN GLY 28 5.147 4.081 -4.244 177 1HA GLY 28 HA2 GLY 28 7.244 2.208 -4.114 178 2HA GLY 28 HA1 GLY 28 6.971 3.344 -5.422 179 H LYS 29 HN LYS 29 7.176 5.679 -3.686 180 HA LYS 29 HA LYS 29 10.039 5.951 -3.765 181 1HB LYS 29 HB2 LYS 29 9.697 8.255 -3.292 182 2HB LYS 29 HB1 LYS 29 8.450 7.771 -4.429 183 1HG LYS 29 HG2 LYS 29 6.815 8.330 -3.020 184 2HG LYS 29 HG1 LYS 29 7.594 7.520 -1.660 185 1HD LYS 29 HD2 LYS 29 9.137 9.484 -1.486 186 2HD LYS 29 HD1 LYS 29 8.145 10.294 -2.701 187 1HE LYS 29 HE2 LYS 29 6.208 10.160 -1.251 188 2HE LYS 29 HE1 LYS 29 7.134 9.253 -0.056 189 1HZ LYS 29 HZ1 LYS 29 8.158 11.101 0.684 190 2HZ LYS 29 HZ2 LYS 29 6.798 11.881 0.049 191 3HZ LYS 29 HZ3 LYS 29 8.234 11.826 -0.843 192 H TRP 30 HN TRP 30 7.916 4.785 -1.467 193 HA TRP 30 HA TRP 30 9.238 5.802 0.872 194 1HB TRP 30 HB2 TRP 30 7.007 3.905 0.326 195 2HB TRP 30 HB1 TRP 30 7.812 3.825 1.886 196 HD1 TRP 30 HD1 TRP 30 5.630 6.179 -0.220 197 HE1 TRP 30 HE1 TRP 30 4.626 7.963 1.341 198 HE3 TRP 30 HE3 TRP 30 8.175 5.033 4.044 199 HZ2 TRP 30 HZ2 TRP 30 4.888 8.776 4.040 200 HZ3 TRP 30 HZ3 TRP 30 7.756 6.364 6.069 201 HH2 TRP 30 HH2 TRP 30 6.144 8.195 6.067 202 H GLN 31 HN GLN 31 11.393 5.221 0.737 203 HA GLN 31 HA GLN 31 12.821 3.203 -0.054 204 1HB GLN 31 HB2 GLN 31 14.181 3.253 2.054 205 2HB GLN 31 HB1 GLN 31 13.858 4.827 1.343 206 1HG GLN 31 HG2 GLN 31 12.213 3.692 3.586 207 2HG GLN 31 HG1 GLN 31 13.663 4.655 3.853 208 H THR 32 HN THR 32 11.329 1.428 -0.344 209 HA THR 32 HA THR 32 11.663 -0.582 1.672 210 HB THR 32 HB THR 32 8.929 0.493 0.957 211 HG1 THR 32 HG1 THR 32 9.485 1.648 2.630 212 H GLN 33 HN GLN 33 10.511 -2.648 0.901 213 HA GLN 33 HA GLN 33 10.691 -2.854 -2.025 214 1HB GLN 33 HB2 GLN 33 11.972 -4.364 0.077 215 2HB GLN 33 HB1 GLN 33 10.964 -5.415 -0.902 216 1HG GLN 33 HG2 GLN 33 12.780 -5.578 -2.181 217 2HG GLN 33 HG1 GLN 33 12.263 -4.017 -2.802 218 H LEU 34 HN LEU 34 8.655 -2.891 -2.690 219 HA LEU 34 HA LEU 34 6.569 -3.839 -1.027 220 1HB LEU 34 HB2 LEU 34 6.127 -3.428 -3.949 221 2HB LEU 34 HB1 LEU 34 5.093 -3.018 -2.596 222 HG LEU 34 HG LEU 34 5.729 -0.925 -3.267 223 H ILE 35 HN ILE 35 7.850 -5.944 -0.868 224 HA ILE 35 HA ILE 35 7.900 -7.839 -2.908 225 HB ILE 35 HB ILE 35 7.610 -8.322 0.061 226 H SER 36 HN SER 36 6.187 -8.441 -4.051 227 HA SER 36 HA SER 36 4.022 -8.944 -4.618 228 1HB SER 36 HB2 SER 36 4.699 -11.112 -3.882 229 2HB SER 36 HB1 SER 36 4.560 -10.656 -2.184 230 HG SER 36 HG SER 36 2.421 -10.849 -2.283 231 HA PRO 37 HA PRO 37 1.741 -6.240 -1.798 232 1HB PRO 37 HB2 PRO 37 1.234 -4.310 -3.592 233 2HB PRO 37 HB1 PRO 37 2.805 -4.456 -2.799 234 1HG PRO 37 HG2 PRO 37 2.059 -5.061 -5.583 235 2HG PRO 37 HG1 PRO 37 3.646 -4.690 -4.906 236 1HD PRO 37 HD2 PRO 37 2.498 -7.249 -5.539 237 2HD PRO 37 HD1 PRO 37 4.127 -6.882 -4.940 238 H HIS 38 HN HIS 38 -0.333 -6.673 -1.394 239 HA HIS 38 HA HIS 38 -2.173 -7.076 -3.660 240 1HB HIS 38 HB2 HIS 38 -1.586 -8.834 -1.460 241 2HB HIS 38 HB1 HIS 38 -3.276 -8.383 -1.438 242 HD1 HIS 38 HD1 HIS 38 -1.228 -10.935 -2.662 243 HD2 HIS 38 HD2 HIS 38 -4.333 -8.724 -4.308 244 HE1 HIS 38 HE1 HIS 38 -2.120 -12.332 -4.554 245 HE2 HIS 38 HE2 HIS 38 -3.927 -10.926 -5.604 246 H PHE 39 HN PHE 39 -4.480 -6.855 -2.924 247 HA PHE 39 HA PHE 39 -4.921 -5.043 -0.737 248 1HB PHE 39 HB2 PHE 39 -4.785 -4.097 -3.483 249 2HB PHE 39 HB1 PHE 39 -6.305 -3.714 -2.686 250 HD1 PHE 39 HD1 PHE 39 -2.633 -3.376 -2.349 251 HD2 PHE 39 HD2 PHE 39 -6.471 -1.982 -1.148 252 HE1 PHE 39 HE1 PHE 39 -1.577 -1.478 -1.187 253 HE2 PHE 39 HE2 PHE 39 -5.424 -0.082 0.012 254 HZ PHE 39 HZ PHE 39 -2.977 0.171 -0.006 255 H VAL 40 HN VAL 40 -6.389 -6.281 0.251 256 HA VAL 40 HA VAL 40 -8.514 -7.550 -1.253 257 HB VAL 40 HB VAL 40 -8.048 -7.531 1.732 258 H LEU 41 HN LEU 41 -9.731 -5.859 -1.973 259 HA LEU 41 HA LEU 41 -10.765 -3.881 -0.105 260 1HB LEU 41 HB2 LEU 41 -9.873 -3.324 -2.383 261 2HB LEU 41 HB1 LEU 41 -11.251 -4.162 -3.059 262 HG LEU 41 HG LEU 41 -12.605 -2.472 -1.557 263 H ASN 42 HN ASN 42 -12.877 -3.663 0.489 264 HA ASN 42 HA ASN 42 -14.914 -5.239 -0.804 265 1HB ASN 42 HB2 ASN 42 -14.606 -5.614 2.163 266 2HB ASN 42 HB1 ASN 42 -15.668 -6.479 1.063 267 H LYS 43 HN LYS 43 -17.072 -4.808 0.037 268 HA LYS 43 HA LYS 43 -17.291 -2.142 1.290 269 1HB LYS 43 HB2 LYS 43 -17.898 -1.536 -0.850 270 2HB LYS 43 HB1 LYS 43 -18.486 -3.144 -1.262 271 1HG LYS 43 HG2 LYS 43 -20.505 -2.780 0.041 272 2HG LYS 43 HG1 LYS 43 -19.909 -1.211 0.576 273 1HD LYS 43 HD2 LYS 43 -21.501 -0.906 -1.223 274 2HD LYS 43 HD1 LYS 43 -19.889 -0.440 -1.772 275 1HE LYS 43 HE2 LYS 43 -20.924 -1.707 -3.513 276 2HE LYS 43 HE1 LYS 43 -19.661 -2.704 -2.792 277 1HZ LYS 43 HZ1 LYS 43 -21.180 -4.102 -1.838 278 2HZ LYS 43 HZ2 LYS 43 -22.014 -3.681 -3.248 279 3HZ LYS 43 HZ3 LYS 43 -22.407 -2.938 -1.780 280 H VAL 44 HN VAL 44 -19.481 -1.765 2.198 281 HA VAL 44 HA VAL 44 -21.121 -4.064 2.691 282 HB VAL 44 HB VAL 44 -20.973 -3.546 5.213 283 HA PRO 45 HA PRO 45 -24.486 -1.264 2.950 284 1HB PRO 45 HB2 PRO 45 -25.081 -2.396 5.646 285 2HB PRO 45 HB1 PRO 45 -26.152 -2.175 4.258 286 1HG PRO 45 HG2 PRO 45 -25.202 -4.585 4.864 287 2HG PRO 45 HG1 PRO 45 -25.356 -4.066 3.175 288 1HD PRO 45 HD2 PRO 45 -22.916 -4.316 4.866 289 2HD PRO 45 HD1 PRO 45 -23.115 -4.578 3.123 290 H ASN 46 HN ASN 46 -22.818 -1.636 6.064 291 HA ASN 46 HA ASN 46 -23.473 1.045 6.883 292 1HB ASN 46 HB2 ASN 46 -21.758 -1.112 8.107 293 2HB ASN 46 HB1 ASN 46 -21.963 0.478 8.836 294 H GLY 47 HN GLY 47 -21.349 0.109 4.607 295 1HA GLY 47 HA2 GLY 47 -19.999 2.343 4.142 296 2HA GLY 47 HA1 GLY 47 -19.109 1.721 5.513 297 H PHE 48 HN PHE 48 -17.270 1.447 4.409 298 HA PHE 48 HA PHE 48 -17.216 -0.763 2.491 299 1HB PHE 48 HB2 PHE 48 -15.712 1.829 2.398 300 2HB PHE 48 HB1 PHE 48 -15.213 0.434 1.497 301 HD1 PHE 48 HD1 PHE 48 -18.267 2.498 2.038 302 HD2 PHE 48 HD2 PHE 48 -15.892 0.225 -0.643 303 HE1 PHE 48 HE1 PHE 48 -19.769 3.118 0.187 304 HE2 PHE 48 HE2 PHE 48 -17.383 0.825 -2.501 305 HZ PHE 48 HZ PHE 48 -19.321 2.271 -2.089 306 H SER 49 HN SER 49 -15.840 -2.355 2.987 307 HA SER 49 HA SER 49 -13.890 -1.842 5.125 308 1HB SER 49 HB2 SER 49 -14.097 -4.620 4.755 309 2HB SER 49 HB1 SER 49 -14.667 -3.671 6.116 310 HG SER 49 HG SER 49 -16.090 -4.891 4.148 311 H VAL 50 HN VAL 50 -11.919 -1.750 4.522 312 HA VAL 50 HA VAL 50 -11.076 -3.170 2.080 313 HB VAL 50 HB VAL 50 -11.365 -0.766 1.675 314 H GLU 51 HN GLU 51 -8.927 -3.934 2.037 315 HA GLU 51 HA GLU 51 -7.231 -3.571 4.363 316 1HB GLU 51 HB2 GLU 51 -8.547 -5.407 5.147 317 2HB GLU 51 HB1 GLU 51 -8.424 -6.235 3.607 318 1HG GLU 51 HG2 GLU 51 -5.841 -6.162 4.183 319 2HG GLU 51 HG1 GLU 51 -6.470 -6.048 5.826 320 H ALA 52 HN ALA 52 -5.121 -3.659 3.855 321 HA ALA 52 HA ALA 52 -4.420 -4.616 1.155 322 1HB ALA 52 HB1 ALA 52 -4.316 -2.115 1.553 323 2HB ALA 52 HB2 ALA 52 -2.854 -2.870 0.919 324 3HB ALA 52 HB3 ALA 52 -2.955 -2.442 2.626 325 H SER 53 HN SER 53 -2.177 -5.360 0.902 326 HA SER 53 HA SER 53 -0.751 -6.114 3.305 327 1HB SER 53 HB2 SER 53 -0.797 -8.495 2.913 328 2HB SER 53 HB1 SER 53 -2.462 -7.916 2.983 329 HG SER 53 HG SER 53 -1.077 -9.043 0.901 330 H ILE 54 HN ILE 54 1.282 -5.625 2.877 331 HA ILE 54 HA ILE 54 2.421 -6.398 0.281 332 HB ILE 54 HB ILE 54 3.031 -3.765 1.632 333 H GLY 55 HN GLY 55 4.454 -7.272 0.406 334 1HA GLY 55 HA2 GLY 55 5.499 -7.723 3.075 335 2HA GLY 55 HA1 GLY 55 5.974 -8.578 1.636 336 H THR 56 HN THR 56 7.403 -7.136 3.778 337 HA THR 56 HA THR 56 9.104 -5.530 2.021 338 HB THR 56 HB THR 56 9.155 -3.726 3.347 339 HG1 THR 56 HG1 THR 56 8.693 -4.883 5.812 340 HA PRO 57 HA PRO 57 12.384 -8.215 3.373 341 1HB PRO 57 HB2 PRO 57 14.135 -5.835 3.239 342 2HB PRO 57 HB1 PRO 57 14.276 -7.381 2.398 343 1HG PRO 57 HG2 PRO 57 13.519 -5.119 1.145 344 2HG PRO 57 HG1 PRO 57 12.920 -6.717 0.672 345 1HD PRO 57 HD2 PRO 57 11.545 -4.534 2.148 346 2HD PRO 57 HD1 PRO 57 10.889 -5.760 1.051 347 H LEU 58 HN LEU 58 11.489 -5.238 4.861 348 HA LEU 58 HA LEU 58 13.144 -5.704 7.206 349 1HB LEU 58 HB2 LEU 58 11.243 -3.445 6.563 350 2HB LEU 58 HB1 LEU 58 12.327 -3.510 7.940 351 HG LEU 58 HG LEU 58 13.896 -3.892 5.594 352 H GLY 59 HN GLY 59 9.990 -6.304 6.065 353 1HA GLY 59 HA2 GLY 59 9.081 -8.009 7.882 354 2HA GLY 59 HA1 GLY 59 8.782 -6.494 8.703 355 H ASN 60 HN ASN 60 7.158 -8.737 7.230 356 HA ASN 60 HA ASN 60 5.797 -7.819 5.059 357 1HB ASN 60 HB2 ASN 60 4.473 -9.180 7.411 358 2HB ASN 60 HB1 ASN 60 3.947 -9.207 5.733 359 H LEU 61 HN LEU 61 3.523 -6.960 4.944 360 HA LEU 61 HA LEU 61 2.872 -5.065 7.065 361 1HB LEU 61 HB2 LEU 61 4.072 -4.333 4.566 362 2HB LEU 61 HB1 LEU 61 2.462 -3.653 4.663 363 HG LEU 61 HG LEU 61 3.329 -2.929 7.076 364 H LEU 62 HN LEU 62 0.767 -4.642 7.287 365 HA LEU 62 HA LEU 62 -1.136 -5.458 5.240 366 1HB LEU 62 HB2 LEU 62 -1.484 -6.356 8.096 367 2HB LEU 62 HB1 LEU 62 -2.470 -6.781 6.716 368 HG LEU 62 HG LEU 62 -1.175 -8.689 7.306 369 H ALA 63 HN ALA 63 -3.228 -4.549 5.572 370 HA ALA 63 HA ALA 63 -3.590 -2.615 7.695 371 1HB ALA 63 HB1 ALA 63 -2.731 -0.949 6.443 372 2HB ALA 63 HB2 ALA 63 -4.305 -0.998 5.651 373 3HB ALA 63 HB3 ALA 63 -2.931 -1.837 4.933 374 H SER 64 HN SER 64 -5.789 -1.825 7.810 375 HA SER 64 HA SER 64 -7.784 -2.785 6.020 376 1HB SER 64 HB2 SER 64 -8.885 -4.147 8.015 377 2HB SER 64 HB1 SER 64 -7.746 -4.906 6.902 378 HG SER 64 HG SER 64 -7.532 -4.578 9.545 379 H ALA 65 HN ALA 65 -9.542 -1.526 6.166 380 HA ALA 65 HA ALA 65 -10.244 -0.283 8.700 381 1HB ALA 65 HB1 ALA 65 -9.775 1.862 8.190 382 2HB ALA 65 HB2 ALA 65 -10.135 1.648 6.478 383 3HB ALA 65 HB3 ALA 65 -8.580 1.125 7.124 384 H THR 66 HN THR 66 -12.349 0.513 8.794 385 HA THR 66 HA THR 66 -14.071 -0.113 6.491 386 HB THR 66 HB THR 66 -14.698 -0.604 9.409 387 HG1 THR 66 HG1 THR 66 -13.694 -2.389 8.975 388 H SER 67 HN SER 67 -15.273 1.598 5.835 389 HA SER 67 HA SER 67 -16.340 3.472 7.733 390 1HB SER 67 HB2 SER 67 -13.795 4.018 6.544 391 2HB SER 67 HB1 SER 67 -14.971 5.165 5.918 392 HG SER 67 HG SER 67 -13.856 5.696 7.975 393 H ASP 68 HN ASP 68 -17.616 5.194 6.657 394 HA ASP 68 HA ASP 68 -19.077 4.063 4.447 395 1HB ASP 68 HB2 ASP 68 -19.453 6.323 6.336 396 2HB ASP 68 HB1 ASP 68 -20.242 6.460 4.767 397 H ASP 69 HN ASP 69 -16.221 5.492 4.395 398 HA ASP 69 HA ASP 69 -16.808 6.948 1.909 399 1HB ASP 69 HB2 ASP 69 -15.054 7.717 4.214 400 2HB ASP 69 HB1 ASP 69 -14.659 8.278 2.591 401 H MET 70 HN MET 70 -16.259 5.409 0.499 402 HA MET 70 HA MET 70 -14.480 3.426 0.456 403 1HB MET 70 HB2 MET 70 -15.788 3.604 -1.427 404 2HB MET 70 HB1 MET 70 -15.457 5.310 -1.630 405 1HG MET 70 HG2 MET 70 -13.878 4.886 -3.113 406 2HG MET 70 HG1 MET 70 -13.049 3.799 -2.001 407 1HE MET 70 HE1 MET 70 -12.477 1.448 -2.979 408 2HE MET 70 HE2 MET 70 -13.879 0.371 -3.002 409 3HE MET 70 HE3 MET 70 -13.606 1.430 -1.617 410 H TYR 71 HN TYR 71 -13.541 6.431 -1.168 411 HA TYR 71 HA TYR 71 -10.818 5.742 -1.172 412 1HB TYR 71 HB2 TYR 71 -12.366 8.148 -1.944 413 2HB TYR 71 HB1 TYR 71 -10.627 8.335 -1.703 414 HD1 TYR 71 HD1 TYR 71 -11.767 5.073 -2.723 415 HD2 TYR 71 HD2 TYR 71 -10.488 8.860 -4.178 416 HE1 TYR 71 HE1 TYR 71 -11.340 4.060 -4.902 417 HE2 TYR 71 HE2 TYR 71 -10.068 7.863 -6.388 418 HH TYR 71 HH TYR 71 -11.139 4.708 -7.222 419 H LYS 72 HN LYS 72 -12.718 7.111 1.304 420 HA LYS 72 HA LYS 72 -10.503 8.363 2.666 421 1HB LYS 72 HB2 LYS 72 -12.874 9.065 2.979 422 2HB LYS 72 HB1 LYS 72 -13.122 7.543 3.801 423 1HG LYS 72 HG2 LYS 72 -12.470 8.453 5.703 424 2HG LYS 72 HG1 LYS 72 -10.883 8.758 4.992 425 1HD LYS 72 HD2 LYS 72 -11.309 10.949 4.682 426 2HD LYS 72 HD1 LYS 72 -12.979 10.654 4.191 427 1HE LYS 72 HE2 LYS 72 -13.714 11.227 6.208 428 2HE LYS 72 HE1 LYS 72 -12.674 10.021 6.965 429 1HZ LYS 72 HZ1 LYS 72 -11.910 12.801 6.253 430 2HZ LYS 72 HZ2 LYS 72 -10.856 11.646 6.897 431 3HZ LYS 72 HZ3 LYS 72 -12.166 12.199 7.813 432 H ALA 73 HN ALA 73 -12.291 5.337 2.693 433 HA ALA 73 HA ALA 73 -11.059 4.136 4.934 434 1HB ALA 73 HB1 ALA 73 -11.909 2.046 4.088 435 2HB ALA 73 HB2 ALA 73 -12.096 2.719 2.470 436 3HB ALA 73 HB3 ALA 73 -13.130 3.281 3.782 437 H ILE 74 HN ILE 74 -10.408 4.217 1.485 438 HA ILE 74 HA ILE 74 -7.995 2.709 1.516 439 HB ILE 74 HB ILE 74 -9.333 4.585 -0.400 440 H ASN 75 HN ASN 75 -8.923 6.043 1.867 441 HA ASN 75 HA ASN 75 -6.464 7.331 1.954 442 1HB ASN 75 HB2 ASN 75 -9.016 8.084 2.059 443 2HB ASN 75 HB1 ASN 75 -8.697 8.164 3.782 444 H GLU 76 HN GLU 76 -8.302 5.550 4.337 445 HA GLU 76 HA GLU 76 -6.568 6.092 6.549 446 1HB GLU 76 HB2 GLU 76 -9.110 4.966 6.188 447 2HB GLU 76 HB1 GLU 76 -8.119 3.655 6.815 448 1HG GLU 76 HG2 GLU 76 -7.639 4.805 8.791 449 2HG GLU 76 HG1 GLU 76 -8.154 6.352 8.119 450 H VAL 77 HN VAL 77 -7.185 3.153 4.590 451 HA VAL 77 HA VAL 77 -5.325 1.434 5.600 452 HB VAL 77 HB VAL 77 -5.735 1.774 2.635 453 H GLU 78 HN GLU 78 -4.760 3.733 2.940 454 HA GLU 78 HA GLU 78 -2.065 3.236 2.599 455 1HB GLU 78 HB2 GLU 78 -3.824 4.908 1.415 456 2HB GLU 78 HB1 GLU 78 -2.907 6.069 2.364 457 1HG GLU 78 HG2 GLU 78 -1.359 4.110 0.781 458 2HG GLU 78 HG1 GLU 78 -2.231 5.357 -0.108 459 H GLU 79 HN GLU 79 -3.713 5.198 4.975 460 HA GLU 79 HA GLU 79 -1.394 6.472 6.012 461 1HB GLU 79 HB2 GLU 79 -4.118 6.733 6.396 462 2HB GLU 79 HB1 GLU 79 -3.576 6.050 7.924 463 1HG GLU 79 HG2 GLU 79 -1.805 8.152 7.120 464 2HG GLU 79 HG1 GLU 79 -3.472 8.724 7.092 465 H LYS 80 HN LYS 80 -3.204 3.549 6.880 466 HA LYS 80 HA LYS 80 -1.628 2.907 9.151 467 1HB LYS 80 HB2 LYS 80 -3.899 1.848 7.893 468 2HB LYS 80 HB1 LYS 80 -2.705 0.562 7.831 469 1HG LYS 80 HG2 LYS 80 -2.393 0.765 10.261 470 2HG LYS 80 HG1 LYS 80 -3.644 2.008 10.300 471 1HD LYS 80 HD2 LYS 80 -4.992 0.083 9.019 472 2HD LYS 80 HD1 LYS 80 -3.880 -0.923 9.950 473 1HE LYS 80 HE2 LYS 80 -4.596 0.521 11.957 474 2HE LYS 80 HE1 LYS 80 -5.946 1.015 10.935 475 1HZ LYS 80 HZ1 LYS 80 -6.889 -0.778 11.898 476 2HZ LYS 80 HZ2 LYS 80 -5.415 -1.554 12.197 477 3HZ LYS 80 HZ3 LYS 80 -6.099 -1.606 10.651 478 H LEU 81 HN LEU 81 -1.558 1.820 5.775 479 HA LEU 81 HA LEU 81 0.645 0.092 6.038 480 1HB LEU 81 HB2 LEU 81 -1.047 1.010 3.944 481 2HB LEU 81 HB1 LEU 81 0.608 1.248 3.419 482 HG LEU 81 HG LEU 81 -0.629 -0.977 2.871 483 H GLU 82 HN GLU 82 0.446 3.545 5.163 484 HA GLU 82 HA GLU 82 3.246 3.840 4.735 485 1HB GLU 82 HB2 GLU 82 1.269 5.406 4.064 486 2HB GLU 82 HB1 GLU 82 1.495 6.094 5.664 487 1HG GLU 82 HG2 GLU 82 3.264 7.254 5.011 488 2HG GLU 82 HG1 GLU 82 4.003 5.842 4.258 489 H ARG 83 HN ARG 83 1.112 4.491 7.494 490 HA ARG 83 HA ARG 83 3.007 5.488 9.278 491 1HB ARG 83 HB2 ARG 83 0.403 4.056 9.581 492 2HB ARG 83 HB1 ARG 83 1.423 4.228 11.002 493 1HG ARG 83 HG2 ARG 83 1.251 6.744 9.659 494 2HG ARG 83 HG1 ARG 83 -0.372 6.098 9.911 495 1HD ARG 83 HD2 ARG 83 -0.004 5.891 12.260 496 2HD ARG 83 HD1 ARG 83 1.710 6.261 12.081 497 HE ARG 83 HE ARG 83 0.437 8.460 11.091 498 1HH1 ARG 83 HH11 ARG 83 0.336 6.725 14.117 499 2HH1 ARG 83 HH12 ARG 83 -0.054 8.129 15.054 500 1HH2 ARG 83 HH21 ARG 83 -0.076 10.307 12.320 501 2HH2 ARG 83 HH22 ARG 83 -0.289 10.163 14.033 502 H GLN 84 HN GLN 84 2.049 2.163 8.552 503 HA GLN 84 HA GLN 84 3.772 0.926 10.431 504 1HB GLN 84 HB2 GLN 84 2.401 -0.046 7.932 505 2HB GLN 84 HB1 GLN 84 3.466 -1.089 8.866 506 1HG GLN 84 HG2 GLN 84 2.050 -0.917 10.785 507 2HG GLN 84 HG1 GLN 84 1.052 0.303 9.993 508 H LEU 85 HN LEU 85 4.111 1.978 7.092 509 HA LEU 85 HA LEU 85 6.573 0.777 6.489 510 1HB LEU 85 HB2 LEU 85 4.962 3.000 5.439 511 2HB LEU 85 HB1 LEU 85 6.683 3.180 5.166 512 HG LEU 85 HG LEU 85 5.445 0.572 4.449 513 H ASN 86 HN ASN 86 5.843 4.026 7.727 514 HA ASN 86 HA ASN 86 8.502 4.811 8.211 515 1HB ASN 86 HB2 ASN 86 6.107 6.086 8.319 516 2HB ASN 86 HB1 ASN 86 6.415 5.858 10.037 517 H LYS 87 HN LYS 87 6.100 3.155 10.196 518 HA LYS 87 HA LYS 87 7.514 3.128 12.623 519 1HB LYS 87 HB2 LYS 87 5.132 1.979 11.600 520 2HB LYS 87 HB1 LYS 87 6.094 0.656 12.252 521 1HG LYS 87 HG2 LYS 87 6.340 2.208 14.321 522 2HG LYS 87 HG1 LYS 87 4.922 3.017 13.654 523 1HD LYS 87 HD2 LYS 87 4.209 0.382 13.491 524 2HD LYS 87 HD1 LYS 87 5.159 0.416 14.977 525 1HE LYS 87 HE2 LYS 87 3.645 2.621 15.321 526 2HE LYS 87 HE1 LYS 87 2.542 1.631 14.365 527 1HZ LYS 87 HZ1 LYS 87 2.734 -0.128 15.978 528 2HZ LYS 87 HZ2 LYS 87 2.273 1.297 16.762 529 3HZ LYS 87 HZ3 LYS 87 3.870 0.751 16.871 530 H LEU 88 HN LEU 88 7.438 0.859 9.914 531 HA LEU 88 HA LEU 88 9.176 -1.055 10.966 532 1HB LEU 88 HB2 LEU 88 7.861 -0.727 8.546 533 2HB LEU 88 HB1 LEU 88 9.545 -0.612 8.090 534 HG LEU 88 HG LEU 88 8.971 -2.857 7.785 535 H GLN 89 HN GLN 89 9.955 1.367 8.504 536 HA GLN 89 HA GLN 89 12.709 1.188 8.589 537 1HB GLN 89 HB2 GLN 89 11.003 3.636 8.106 538 2HB GLN 89 HB1 GLN 89 12.729 3.560 7.786 539 1HG GLN 89 HG2 GLN 89 12.458 2.405 5.888 540 2HG GLN 89 HG1 GLN 89 11.157 1.419 6.549 541 H HIS 90 HN HIS 90 10.537 2.767 10.803 542 HA HIS 90 HA HIS 90 12.490 4.311 12.192 543 1HB HIS 90 HB2 HIS 90 9.656 3.488 12.693 544 2HB HIS 90 HB1 HIS 90 10.597 4.137 14.029 545 HD1 HIS 90 HD1 HIS 90 11.735 5.795 11.077 546 HD2 HIS 90 HD2 HIS 90 8.441 6.191 13.578 547 HE1 HIS 90 HE1 HIS 90 10.832 8.101 10.638 548 HE2 HIS 90 HE2 HIS 90 8.790 8.286 12.102 549 H LYS 91 HN LYS 91 10.571 1.587 13.396 550 HA LYS 91 HA LYS 91 10.982 0.012 14.950 551 1HB LYS 91 HB2 LYS 91 12.319 -0.801 12.998 552 2HB LYS 91 HB1 LYS 91 13.735 -0.041 13.711 553 1HG LYS 91 HG2 LYS 91 13.878 -2.299 14.306 554 2HG LYS 91 HG1 LYS 91 13.296 -1.477 15.755 555 1HD LYS 91 HD2 LYS 91 11.990 -3.448 15.508 556 2HD LYS 91 HD1 LYS 91 10.964 -2.091 15.040 557 1HE LYS 91 HE2 LYS 91 12.120 -2.763 12.662 558 2HE LYS 91 HE1 LYS 91 11.976 -4.336 13.446 559 1HZ LYS 91 HZ1 LYS 91 9.568 -3.340 13.935 560 2HZ LYS 91 HZ2 LYS 91 9.927 -4.238 12.547 561 3HZ LYS 91 HZ3 LYS 91 9.898 -2.549 12.476 562 H SER 92 HN SER 92 10.900 0.954 16.922 563 HA SER 92 HA SER 92 13.257 2.336 17.953 564 1HB SER 92 HB2 SER 92 11.823 3.050 19.785 565 2HB SER 92 HB1 SER 92 11.008 3.358 18.252 566 HG SER 92 HG SER 92 9.895 1.334 18.606 567 H GLU 93 HN GLU 93 11.447 -0.615 18.339 568 HA GLU 93 HA GLU 93 13.151 -1.403 20.597 569 1HB GLU 93 HB2 GLU 93 11.512 -3.120 21.072 570 2HB GLU 93 HB1 GLU 93 10.696 -1.572 20.910 571 1HG GLU 93 HG2 GLU 93 10.851 -3.043 18.404 572 2HG GLU 93 HG1 GLU 93 9.986 -3.912 19.671 573 H SER 94 HN SER 94 12.966 -4.167 20.350 574 HA SER 94 HA SER 94 14.008 -4.843 17.711 575 1HB SER 94 HB2 SER 94 15.911 -6.105 19.009 576 2HB SER 94 HB1 SER 94 16.090 -4.391 18.632 577 HG SER 94 HG SER 94 14.989 -5.300 21.074 578 H ARG 95 HN ARG 95 12.685 -6.449 17.154 579 HA ARG 95 HA ARG 95 11.636 -8.288 19.126 580 1HB ARG 95 HB2 ARG 95 11.253 -8.092 16.135 581 2HB ARG 95 HB1 ARG 95 10.458 -9.286 17.152 582 1HG ARG 95 HG2 ARG 95 9.887 -6.902 18.410 583 2HG ARG 95 HG1 ARG 95 9.807 -6.495 16.694 584 1HD ARG 95 HD2 ARG 95 7.738 -7.327 16.731 585 2HD ARG 95 HD1 ARG 95 8.492 -8.917 16.843 586 HE ARG 95 HE ARG 95 8.288 -7.831 19.420 587 1HH1 ARG 95 HH11 ARG 95 6.240 -9.065 16.877 588 2HH1 ARG 95 HH12 ARG 95 4.998 -9.594 17.961 589 1HH2 ARG 95 HH21 ARG 95 6.656 -8.526 20.848 590 2HH2 ARG 95 HH22 ARG 95 5.235 -9.289 20.216 591 H ARG 96 HN ARG 96 12.370 -10.273 19.558 592 HA ARG 96 HA ARG 96 13.671 -12.138 19.537 593 1HB ARG 96 HB2 ARG 96 13.060 -11.617 16.707 594 2HB ARG 96 HB1 ARG 96 14.482 -12.616 16.971 595 1HG ARG 96 HG2 ARG 96 13.045 -14.060 18.458 596 2HG ARG 96 HG1 ARG 96 11.661 -13.149 17.851 597 1HD ARG 96 HD2 ARG 96 11.713 -14.970 16.427 598 2HD ARG 96 HD1 ARG 96 12.604 -13.754 15.514 599 HE ARG 96 HE ARG 96 14.275 -15.425 17.150 600 1HH1 ARG 96 HH11 ARG 96 12.698 -15.114 14.053 601 2HH1 ARG 96 HH12 ARG 96 13.797 -16.182 13.246 602 1HH2 ARG 96 HH21 ARG 96 15.721 -16.829 16.090 603 2HH2 ARG 96 HH22 ARG 96 15.513 -17.156 14.402 604 H ALA 97 HN ALA 97 15.348 -11.135 20.703 605 HA ALA 97 HA ALA 97 17.845 -11.007 19.255 606 1HB ALA 97 HB1 ALA 97 18.347 -8.735 20.389 607 2HB ALA 97 HB2 ALA 97 16.593 -8.574 20.464 608 3HB ALA 97 HB3 ALA 97 17.395 -8.760 18.905 609 H ASP 98 HN ASP 98 16.726 -12.698 21.294 610 HA ASP 98 HA ASP 98 18.048 -11.974 23.768 611 1HB ASP 98 HB2 ASP 98 16.024 -13.905 22.931 612 2HB ASP 98 HB1 ASP 98 17.204 -14.599 24.038 613 H GLU 99 HN GLU 99 20.220 -12.081 23.610 614 HA GLU 99 HA GLU 99 21.374 -14.656 22.761 615 1HB GLU 99 HB2 GLU 99 21.757 -12.486 21.315 616 2HB GLU 99 HB1 GLU 99 22.949 -12.123 22.556 617 1HG GLU 99 HG2 GLU 99 23.944 -14.390 22.105 618 2HG GLU 99 HG1 GLU 99 22.876 -14.488 20.706 619 H ARG 100 HN ARG 100 21.761 -15.612 24.683 620 HA ARG 100 HA ARG 100 22.741 -16.058 26.686 621 1HB ARG 100 HB2 ARG 100 24.681 -14.855 25.191 622 2HB ARG 100 HB1 ARG 100 24.638 -13.805 26.601 623 1HG ARG 100 HG2 ARG 100 26.105 -15.278 27.434 624 2HG ARG 100 HG1 ARG 100 24.662 -16.228 27.793 625 1HD ARG 100 HD2 ARG 100 26.426 -17.544 26.672 626 2HD ARG 100 HD1 ARG 100 24.923 -17.482 25.751 627 HE ARG 100 HE ARG 100 26.051 -16.420 24.076 628 1HH1 ARG 100 HH11 ARG 100 27.916 -16.140 27.012 629 2HH1 ARG 100 HH12 ARG 100 29.276 -15.412 26.227 630 1HH2 ARG 100 HH21 ARG 100 27.840 -15.463 23.041 631 2HH2 ARG 100 HH22 ARG 100 29.233 -15.026 23.973 632 H LEU 101 HN LEU 101 23.099 -15.203 28.891 633 HA LEU 101 HA LEU 101 21.477 -12.787 29.359 634 1HB LEU 101 HB2 LEU 101 20.887 -13.823 31.552 635 2HB LEU 101 HB1 LEU 101 20.256 -14.670 30.153 636 HG LEU 101 HG LEU 101 22.270 -16.229 30.383 637 H LYS 102 HN LYS 102 21.912 -12.145 31.860 638 HA LYS 102 HA LYS 102 23.346 -11.133 33.307 639 1HB LYS 102 HB2 LYS 102 24.244 -13.621 33.209 640 2HB LYS 102 HB1 LYS 102 25.621 -12.854 32.430 641 1HG LYS 102 HG2 LYS 102 26.303 -12.808 34.602 642 2HG LYS 102 HG1 LYS 102 25.489 -11.245 34.501 643 1HD LYS 102 HD2 LYS 102 24.517 -12.035 36.405 644 2HD LYS 102 HD1 LYS 102 23.400 -12.717 35.220 645 1HE LYS 102 HE2 LYS 102 25.251 -14.672 35.310 646 2HE LYS 102 HE1 LYS 102 25.380 -14.049 36.954 647 1HZ LYS 102 HZ1 LYS 102 22.863 -14.264 37.005 648 2HZ LYS 102 HZ2 LYS 102 23.756 -15.699 37.060 649 3HZ LYS 102 HZ3 LYS 102 23.018 -15.220 35.617 650 H ASP 103 HN ASP 103 23.461 -9.144 32.323 651 HA ASP 103 HA ASP 103 25.542 -8.720 30.306 652 1HB ASP 103 HB2 ASP 103 23.189 -7.059 31.202 653 2HB ASP 103 HB1 ASP 103 24.449 -6.417 30.152 654 H SER 104 HN SER 104 27.394 -8.727 31.571 655 HA SER 104 HA SER 104 29.038 -7.856 32.879 656 1HB SER 104 HB2 SER 104 27.937 -5.721 31.556 657 2HB SER 104 HB1 SER 104 27.809 -5.207 33.238 658 HG SER 104 HG SER 104 29.838 -4.724 33.056 659 H PHE 105 HN PHE 105 29.356 -6.481 35.019 660 HA PHE 105 HA PHE 105 27.603 -7.724 36.970 661 1HB PHE 105 HB2 PHE 105 30.266 -6.368 37.061 662 2HB PHE 105 HB1 PHE 105 29.319 -6.474 38.542 663 HD1 PHE 105 HD1 PHE 105 29.849 -8.219 39.918 664 HD2 PHE 105 HD2 PHE 105 30.244 -8.731 35.712 665 HE1 PHE 105 HE1 PHE 105 30.667 -10.512 40.278 666 HE2 PHE 105 HE2 PHE 105 31.063 -11.025 36.064 667 HZ PHE 105 HZ PHE 105 31.275 -11.918 38.350 668 H GLU 106 HN GLU 106 28.979 -4.442 36.703 669 HA GLU 106 HA GLU 106 28.113 -2.387 37.147 670 1HB GLU 106 HB2 GLU 106 26.404 -3.236 35.461 671 2HB GLU 106 HB1 GLU 106 25.378 -3.620 36.836 672 1HG GLU 106 HG2 GLU 106 24.609 -1.552 36.794 673 2HG GLU 106 HG1 GLU 106 26.221 -0.971 37.208 674 H ASN 107 HN ASN 107 28.205 -1.544 39.112 675 HA ASN 107 HA ASN 107 27.348 -2.991 41.423 676 1HB ASN 107 HB2 ASN 107 29.317 -1.318 41.190 677 2HB ASN 107 HB1 ASN 107 28.092 -0.077 41.438 Start of MODEL 5 1 1H MET 1 HT1 MET 1 6.298 -5.112 -10.477 2 2H MET 1 HT2 MET 1 7.606 -5.113 -9.366 3 3H MET 1 HT3 MET 1 6.751 -3.660 -9.687 4 HA MET 1 HA MET 1 5.676 -6.077 -8.395 5 1HB MET 1 HB2 MET 1 6.458 -3.349 -7.347 6 2HB MET 1 HB1 MET 1 5.587 -4.557 -6.411 7 1HG MET 1 HG2 MET 1 8.373 -4.804 -7.521 8 2HG MET 1 HG1 MET 1 7.920 -4.593 -5.830 9 1HE MET 1 HE1 MET 1 9.865 -6.407 -6.693 10 2HE MET 1 HE2 MET 1 9.486 -8.111 -6.953 11 3HE MET 1 HE3 MET 1 9.447 -7.437 -5.324 12 H THR 2 HN THR 2 3.735 -6.218 -9.453 13 HA THR 2 HA THR 2 2.111 -3.811 -9.767 14 HB THR 2 HB THR 2 0.576 -5.314 -11.028 15 HG1 THR 2 HG1 THR 2 2.613 -7.257 -10.739 16 H LEU 3 HN LEU 3 0.735 -3.240 -8.230 17 HA LEU 3 HA LEU 3 0.172 -4.787 -5.960 18 1HB LEU 3 HB2 LEU 3 0.012 -2.397 -5.867 19 2HB LEU 3 HB1 LEU 3 -1.224 -2.379 -7.111 20 HG LEU 3 HG LEU 3 -1.745 -3.817 -4.538 21 H ASN 4 HN ASN 4 -1.026 -6.530 -5.796 22 HA ASN 4 HA ASN 4 -3.109 -7.056 -7.771 23 1HB ASN 4 HB2 ASN 4 -2.117 -8.885 -5.586 24 2HB ASN 4 HB1 ASN 4 -3.058 -9.330 -7.006 25 H ILE 5 HN ILE 5 -5.173 -7.973 -7.048 26 HA ILE 5 HA ILE 5 -6.044 -6.828 -4.477 27 HB ILE 5 HB ILE 5 -8.348 -7.028 -6.017 28 H THR 6 HN THR 6 -8.191 -7.825 -3.760 29 HA THR 6 HA THR 6 -8.737 -10.517 -4.559 30 HB THR 6 HB THR 6 -7.572 -10.124 -1.798 31 HG1 THR 6 HG1 THR 6 -6.393 -11.279 -4.104 32 H SER 7 HN SER 7 -10.241 -8.140 -4.344 33 HA SER 7 HA SER 7 -11.707 -7.761 -2.039 34 1HB SER 7 HB2 SER 7 -13.318 -7.613 -4.491 35 2HB SER 7 HB1 SER 7 -12.950 -6.366 -3.305 36 HG SER 7 HG SER 7 -10.927 -6.103 -4.302 37 H LYS 8 HN LYS 8 -13.032 -8.992 -0.899 38 HA LYS 8 HA LYS 8 -13.686 -11.621 -1.731 39 1HB LYS 8 HB2 LYS 8 -14.515 -11.964 0.415 40 2HB LYS 8 HB1 LYS 8 -13.264 -10.751 0.642 41 1HG LYS 8 HG2 LYS 8 -15.187 -9.046 0.462 42 2HG LYS 8 HG1 LYS 8 -16.237 -10.434 0.753 43 1HD LYS 8 HD2 LYS 8 -13.923 -10.123 2.569 44 2HD LYS 8 HD1 LYS 8 -15.211 -8.927 2.724 45 1HE LYS 8 HE2 LYS 8 -15.665 -11.905 2.752 46 2HE LYS 8 HE1 LYS 8 -15.451 -10.930 4.205 47 1HZ LYS 8 HZ1 LYS 8 -17.821 -11.444 3.263 48 2HZ LYS 8 HZ2 LYS 8 -17.494 -10.116 2.268 49 3HZ LYS 8 HZ3 LYS 8 -17.473 -9.938 3.949 50 H GLN 9 HN GLN 9 -15.709 -8.704 -1.348 51 HA GLN 9 HA GLN 9 -17.894 -10.224 -2.578 52 1HB GLN 9 HB2 GLN 9 -19.346 -8.310 -1.719 53 2HB GLN 9 HB1 GLN 9 -18.695 -9.434 -0.538 54 1HG GLN 9 HG2 GLN 9 -16.772 -7.608 -0.430 55 2HG GLN 9 HG1 GLN 9 -18.088 -6.573 -0.978 56 H MET 10 HN MET 10 -17.035 -6.756 -2.538 57 HA MET 10 HA MET 10 -18.136 -6.410 -5.153 58 1HB MET 10 HB2 MET 10 -17.194 -4.085 -4.935 59 2HB MET 10 HB1 MET 10 -18.342 -4.563 -3.695 60 1HG MET 10 HG2 MET 10 -16.823 -4.456 -2.053 61 2HG MET 10 HG1 MET 10 -15.526 -5.084 -3.064 62 1HE MET 10 HE1 MET 10 -16.119 -2.361 -0.899 63 2HE MET 10 HE2 MET 10 -14.756 -1.393 -1.459 64 3HE MET 10 HE3 MET 10 -14.549 -3.119 -1.151 65 H ASP 11 HN ASP 11 -17.145 -6.942 -6.975 66 HA ASP 11 HA ASP 11 -14.467 -7.719 -7.157 67 1HB ASP 11 HB2 ASP 11 -14.823 -7.481 -9.651 68 2HB ASP 11 HB1 ASP 11 -15.997 -8.497 -8.822 69 H ILE 12 HN ILE 12 -13.164 -6.530 -9.151 70 HA ILE 12 HA ILE 12 -12.761 -3.804 -8.131 71 HB ILE 12 HB ILE 12 -10.607 -4.421 -9.824 72 H THR 13 HN THR 13 -12.418 -2.089 -9.534 73 HA THR 13 HA THR 13 -13.018 -2.485 -12.363 74 HB THR 13 HB THR 13 -14.456 -0.215 -11.826 75 HG1 THR 13 HG1 THR 13 -15.729 -0.677 -10.026 76 HA PRO 14 HA PRO 14 -10.185 0.691 -13.533 77 1HB PRO 14 HB2 PRO 14 -12.488 2.568 -13.890 78 2HB PRO 14 HB1 PRO 14 -11.103 2.284 -14.951 79 1HG PRO 14 HG2 PRO 14 -13.470 1.199 -15.501 80 2HG PRO 14 HG1 PRO 14 -11.971 0.292 -15.769 81 1HD PRO 14 HD2 PRO 14 -14.035 -0.047 -13.668 82 2HD PRO 14 HD1 PRO 14 -12.931 -1.244 -14.370 83 H ALA 15 HN ALA 15 -12.851 2.018 -11.565 84 HA ALA 15 HA ALA 15 -11.513 4.201 -10.491 85 1HB ALA 15 HB1 ALA 15 -13.133 3.971 -8.571 86 2HB ALA 15 HB2 ALA 15 -13.712 2.494 -9.343 87 3HB ALA 15 HB3 ALA 15 -13.859 4.040 -10.177 88 H ILE 16 HN ILE 16 -12.276 1.476 -8.340 89 HA ILE 16 HA ILE 16 -10.258 1.944 -6.522 90 HB ILE 16 HB ILE 16 -10.367 -0.642 -6.163 91 H ARG 17 HN ARG 17 -10.186 -0.461 -9.164 92 HA ARG 17 HA ARG 17 -7.687 -1.483 -8.970 93 1HB ARG 17 HB2 ARG 17 -9.397 -1.901 -10.797 94 2HB ARG 17 HB1 ARG 17 -8.776 -0.466 -11.600 95 1HG ARG 17 HG2 ARG 17 -7.080 -1.594 -12.468 96 2HG ARG 17 HG1 ARG 17 -6.625 -2.242 -10.891 97 1HD ARG 17 HD2 ARG 17 -8.664 -3.824 -11.268 98 2HD ARG 17 HD1 ARG 17 -8.446 -3.391 -12.964 99 HE ARG 17 HE ARG 17 -6.022 -4.246 -11.691 100 1HH1 ARG 17 HH11 ARG 17 -8.917 -5.327 -13.312 101 2HH1 ARG 17 HH12 ARG 17 -8.219 -6.824 -13.830 102 1HH2 ARG 17 HH21 ARG 17 -5.101 -6.215 -12.371 103 2HH2 ARG 17 HH22 ARG 17 -6.052 -7.329 -13.295 104 H GLU 18 HN GLU 18 -8.441 1.500 -10.765 105 HA GLU 18 HA GLU 18 -5.785 2.279 -11.248 106 1HB GLU 18 HB2 GLU 18 -7.637 3.244 -12.495 107 2HB GLU 18 HB1 GLU 18 -8.308 3.943 -11.026 108 1HG GLU 18 HG2 GLU 18 -5.567 4.773 -11.463 109 2HG GLU 18 HG1 GLU 18 -6.606 5.171 -12.831 110 H HIS 19 HN HIS 19 -8.007 2.954 -8.590 111 HA HIS 19 HA HIS 19 -6.443 4.844 -7.221 112 1HB HIS 19 HB2 HIS 19 -8.904 4.121 -6.867 113 2HB HIS 19 HB1 HIS 19 -8.236 2.839 -5.870 114 HD1 HIS 19 HD1 HIS 19 -6.885 6.362 -5.852 115 HD2 HIS 19 HD2 HIS 19 -9.180 3.800 -3.544 116 HE1 HIS 19 HE1 HIS 19 -7.186 7.545 -3.649 117 HE2 HIS 19 HE2 HIS 19 -8.678 6.023 -2.303 118 H LEU 20 HN LEU 20 -6.971 1.439 -6.323 119 HA LEU 20 HA LEU 20 -4.958 1.092 -4.502 120 1HB LEU 20 HB2 LEU 20 -5.461 -1.056 -6.523 121 2HB LEU 20 HB1 LEU 20 -5.183 -1.195 -4.796 122 HG LEU 20 HG LEU 20 -7.713 -0.207 -6.108 123 H GLU 21 HN GLU 21 -4.698 0.546 -8.018 124 HA GLU 21 HA GLU 21 -1.986 -0.086 -8.117 125 1HB GLU 21 HB2 GLU 21 -3.771 1.299 -10.122 126 2HB GLU 21 HB1 GLU 21 -2.109 0.851 -10.479 127 1HG GLU 21 HG2 GLU 21 -2.617 -1.477 -10.148 128 2HG GLU 21 HG1 GLU 21 -4.255 -1.082 -9.636 129 H GLU 22 HN GLU 22 -3.499 3.090 -8.720 130 HA GLU 22 HA GLU 22 -1.183 4.607 -8.887 131 1HB GLU 22 HB2 GLU 22 -3.404 5.501 -9.423 132 2HB GLU 22 HB1 GLU 22 -3.855 5.426 -7.724 133 1HG GLU 22 HG2 GLU 22 -1.590 6.924 -7.616 134 2HG GLU 22 HG1 GLU 22 -2.269 7.412 -9.168 135 H ARG 23 HN ARG 23 -2.906 3.409 -6.079 136 HA ARG 23 HA ARG 23 -1.574 4.930 -4.109 137 1HB ARG 23 HB2 ARG 23 -3.667 3.309 -3.953 138 2HB ARG 23 HB1 ARG 23 -2.433 2.135 -3.510 139 1HG ARG 23 HG2 ARG 23 -3.456 3.198 -1.564 140 2HG ARG 23 HG1 ARG 23 -1.728 3.526 -1.664 141 1HD ARG 23 HD2 ARG 23 -2.119 5.711 -1.649 142 2HD ARG 23 HD1 ARG 23 -3.137 5.561 -3.080 143 HE ARG 23 HE ARG 23 -4.704 4.764 -0.962 144 1HH1 ARG 23 HH11 ARG 23 -2.975 7.656 -1.876 145 2HH1 ARG 23 HH12 ARG 23 -4.076 8.719 -1.066 146 1HH2 ARG 23 HH21 ARG 23 -6.151 6.163 0.103 147 2HH2 ARG 23 HH22 ARG 23 -5.878 7.872 0.059 148 H LEU 24 HN LEU 24 -0.952 1.695 -5.447 149 HA LEU 24 HA LEU 24 1.369 1.170 -3.935 150 1HB LEU 24 HB2 LEU 24 0.045 -0.499 -5.285 151 2HB LEU 24 HB1 LEU 24 0.786 0.174 -6.723 152 HG LEU 24 HG LEU 24 3.007 -0.383 -5.316 153 H ALA 25 HN ALA 25 0.957 2.410 -7.245 154 HA ALA 25 HA ALA 25 3.638 2.868 -7.844 155 1HB ALA 25 HB1 ALA 25 1.050 3.876 -8.846 156 2HB ALA 25 HB2 ALA 25 2.417 3.189 -9.723 157 3HB ALA 25 HB3 ALA 25 2.460 4.873 -9.201 158 H LYS 26 HN LYS 26 1.369 4.683 -5.917 159 HA LYS 26 HA LYS 26 2.993 7.035 -5.696 160 1HB LYS 26 HB2 LYS 26 0.449 6.055 -4.507 161 2HB LYS 26 HB1 LYS 26 1.338 7.272 -3.603 162 1HG LYS 26 HG2 LYS 26 0.955 7.819 -6.473 163 2HG LYS 26 HG1 LYS 26 -0.496 7.848 -5.470 164 1HD LYS 26 HD2 LYS 26 0.133 9.726 -4.391 165 2HD LYS 26 HD1 LYS 26 1.833 9.253 -4.348 166 1HE LYS 26 HE2 LYS 26 2.268 10.138 -6.437 167 2HE LYS 26 HE1 LYS 26 0.583 10.037 -6.944 168 1HZ LYS 26 HZ1 LYS 26 0.122 11.818 -5.272 169 2HZ LYS 26 HZ2 LYS 26 1.072 12.306 -6.583 170 3HZ LYS 26 HZ3 LYS 26 1.794 12.002 -5.084 171 H LEU 27 HN LEU 27 2.466 4.098 -3.827 172 HA LEU 27 HA LEU 27 4.095 4.953 -1.629 173 1HB LEU 27 HB2 LEU 27 2.486 2.609 -2.300 174 2HB LEU 27 HB1 LEU 27 3.973 2.193 -1.470 175 HG LEU 27 HG LEU 27 1.752 3.972 -0.474 176 H GLY 28 HN GLY 28 4.790 3.915 -4.744 177 1HA GLY 28 HA2 GLY 28 7.047 2.284 -4.382 178 2HA GLY 28 HA1 GLY 28 6.737 3.290 -5.787 179 H LYS 29 HN LYS 29 6.702 5.788 -4.396 180 HA LYS 29 HA LYS 29 9.399 6.501 -4.524 181 1HB LYS 29 HB2 LYS 29 7.696 8.168 -4.800 182 2HB LYS 29 HB1 LYS 29 7.043 7.850 -3.201 183 1HG LYS 29 HG2 LYS 29 9.326 8.620 -2.326 184 2HG LYS 29 HG1 LYS 29 9.569 9.272 -3.946 185 1HD LYS 29 HD2 LYS 29 8.425 11.082 -3.344 186 2HD LYS 29 HD1 LYS 29 6.992 10.073 -3.138 187 1HE LYS 29 HE2 LYS 29 7.469 11.360 -1.116 188 2HE LYS 29 HE1 LYS 29 7.625 9.629 -0.824 189 1HZ LYS 29 HZ1 LYS 29 9.427 11.189 0.072 190 2HZ LYS 29 HZ2 LYS 29 9.984 11.257 -1.523 191 3HZ LYS 29 HZ3 LYS 29 9.920 9.774 -0.714 192 H TRP 30 HN TRP 30 7.601 5.072 -1.967 193 HA TRP 30 HA TRP 30 9.245 5.916 0.187 194 1HB TRP 30 HB2 TRP 30 7.176 3.754 -0.115 195 2HB TRP 30 HB1 TRP 30 8.065 4.017 1.381 196 HD1 TRP 30 HD1 TRP 30 5.564 5.855 -0.920 197 HE1 TRP 30 HE1 TRP 30 4.321 7.604 0.508 198 HE3 TRP 30 HE3 TRP 30 8.159 5.315 3.415 199 HZ2 TRP 30 HZ2 TRP 30 4.451 8.623 3.157 200 HZ3 TRP 30 HZ3 TRP 30 7.565 6.714 5.338 201 HH2 TRP 30 HH2 TRP 30 5.747 8.333 5.216 202 H GLN 31 HN GLN 31 11.327 5.388 0.156 203 HA GLN 31 HA GLN 31 12.756 3.532 -1.107 204 1HB GLN 31 HB2 GLN 31 14.154 3.393 1.133 205 2HB GLN 31 HB1 GLN 31 14.106 4.860 0.167 206 1HG GLN 31 HG2 GLN 31 12.033 4.593 2.252 207 2HG GLN 31 HG1 GLN 31 13.691 4.816 2.808 208 H THR 32 HN THR 32 11.073 1.807 -1.275 209 HA THR 32 HA THR 32 11.809 -0.400 0.408 210 HB THR 32 HB THR 32 9.057 0.830 0.432 211 HG1 THR 32 HG1 THR 32 9.396 0.430 2.717 212 H GLN 33 HN GLN 33 10.758 -2.422 -0.390 213 HA GLN 33 HA GLN 33 10.031 -2.262 -3.228 214 1HB GLN 33 HB2 GLN 33 11.169 -4.647 -3.236 215 2HB GLN 33 HB1 GLN 33 12.110 -3.189 -3.511 216 1HG GLN 33 HG2 GLN 33 11.816 -4.293 -0.755 217 2HG GLN 33 HG1 GLN 33 12.982 -4.994 -1.875 218 H LEU 34 HN LEU 34 7.908 -2.502 -2.892 219 HA LEU 34 HA LEU 34 6.662 -4.018 -0.994 220 1HB LEU 34 HB2 LEU 34 5.655 -3.447 -3.778 221 2HB LEU 34 HB1 LEU 34 4.670 -3.925 -2.415 222 HG LEU 34 HG LEU 34 4.293 -1.693 -2.308 223 H ILE 35 HN ILE 35 7.634 -6.006 -0.730 224 HA ILE 35 HA ILE 35 8.033 -7.928 -2.741 225 HB ILE 35 HB ILE 35 7.646 -8.200 0.241 226 H SER 36 HN SER 36 6.198 -8.060 -4.034 227 HA SER 36 HA SER 36 4.118 -8.730 -4.705 228 1HB SER 36 HB2 SER 36 4.818 -10.941 -4.138 229 2HB SER 36 HB1 SER 36 4.662 -10.626 -2.410 230 HG SER 36 HG SER 36 2.768 -11.512 -2.694 231 HA PRO 37 HA PRO 37 1.763 -6.290 -1.713 232 1HB PRO 37 HB2 PRO 37 1.074 -4.334 -3.433 233 2HB PRO 37 HB1 PRO 37 2.663 -4.406 -2.669 234 1HG PRO 37 HG2 PRO 37 1.918 -4.931 -5.461 235 2HG PRO 37 HG1 PRO 37 3.496 -4.532 -4.783 236 1HD PRO 37 HD2 PRO 37 2.426 -7.105 -5.517 237 2HD PRO 37 HD1 PRO 37 4.056 -6.701 -4.954 238 H HIS 38 HN HIS 38 -0.310 -6.596 -1.234 239 HA HIS 38 HA HIS 38 -2.219 -7.162 -3.401 240 1HB HIS 38 HB2 HIS 38 -1.544 -8.774 -1.100 241 2HB HIS 38 HB1 HIS 38 -3.243 -8.364 -1.097 242 HD1 HIS 38 HD1 HIS 38 -1.173 -10.962 -2.118 243 HD2 HIS 38 HD2 HIS 38 -4.278 -8.915 -3.963 244 HE1 HIS 38 HE1 HIS 38 -2.046 -12.517 -3.890 245 HE2 HIS 38 HE2 HIS 38 -3.842 -11.208 -5.076 246 H PHE 39 HN PHE 39 -4.499 -6.926 -2.584 247 HA PHE 39 HA PHE 39 -4.888 -5.027 -0.465 248 1HB PHE 39 HB2 PHE 39 -4.753 -4.133 -3.203 249 2HB PHE 39 HB1 PHE 39 -6.338 -3.826 -2.505 250 HD1 PHE 39 HD1 PHE 39 -2.724 -3.243 -1.996 251 HD2 PHE 39 HD2 PHE 39 -6.695 -2.091 -0.994 252 HE1 PHE 39 HE1 PHE 39 -1.850 -1.263 -0.824 253 HE2 PHE 39 HE2 PHE 39 -5.831 -0.109 0.177 254 HZ PHE 39 HZ PHE 39 -3.407 0.307 0.264 255 H VAL 40 HN VAL 40 -6.353 -6.166 0.622 256 HA VAL 40 HA VAL 40 -8.480 -7.551 -0.774 257 HB VAL 40 HB VAL 40 -7.847 -7.366 2.178 258 H LEU 41 HN LEU 41 -9.712 -5.907 -1.584 259 HA LEU 41 HA LEU 41 -10.755 -3.831 0.164 260 1HB LEU 41 HB2 LEU 41 -9.981 -3.187 -2.021 261 2HB LEU 41 HB1 LEU 41 -11.021 -4.365 -2.785 262 HG LEU 41 HG LEU 41 -12.841 -2.849 -1.456 263 H ASN 42 HN ASN 42 -12.839 -3.633 0.831 264 HA ASN 42 HA ASN 42 -14.892 -5.355 -0.267 265 1HB ASN 42 HB2 ASN 42 -14.462 -5.482 2.705 266 2HB ASN 42 HB1 ASN 42 -15.492 -6.495 1.703 267 H LYS 43 HN LYS 43 -17.013 -4.963 0.673 268 HA LYS 43 HA LYS 43 -17.354 -2.221 1.723 269 1HB LYS 43 HB2 LYS 43 -18.149 -1.766 -0.363 270 2HB LYS 43 HB1 LYS 43 -18.426 -3.460 -0.748 271 1HG LYS 43 HG2 LYS 43 -20.493 -3.414 0.598 272 2HG LYS 43 HG1 LYS 43 -20.225 -1.706 0.937 273 1HD LYS 43 HD2 LYS 43 -20.126 -1.491 -1.666 274 2HD LYS 43 HD1 LYS 43 -20.982 -3.033 -1.636 275 1HE LYS 43 HE2 LYS 43 -21.929 -0.703 -0.004 276 2HE LYS 43 HE1 LYS 43 -22.356 -0.850 -1.709 277 1HZ LYS 43 HZ1 LYS 43 -22.977 -3.283 -0.839 278 2HZ LYS 43 HZ2 LYS 43 -24.079 -1.998 -0.860 279 3HZ LYS 43 HZ3 LYS 43 -23.273 -2.397 0.572 280 H VAL 44 HN VAL 44 -19.629 -1.948 2.593 281 HA VAL 44 HA VAL 44 -21.069 -4.300 3.315 282 HB VAL 44 HB VAL 44 -20.907 -3.690 5.792 283 HA PRO 45 HA PRO 45 -24.578 -1.680 3.488 284 1HB PRO 45 HB2 PRO 45 -25.090 -2.742 6.229 285 2HB PRO 45 HB1 PRO 45 -26.180 -2.639 4.842 286 1HG PRO 45 HG2 PRO 45 -25.086 -4.964 5.533 287 2HG PRO 45 HG1 PRO 45 -25.282 -4.522 3.827 288 1HD PRO 45 HD2 PRO 45 -22.821 -4.560 5.508 289 2HD PRO 45 HD1 PRO 45 -23.014 -4.906 3.778 290 H ASN 46 HN ASN 46 -22.827 -1.840 6.572 291 HA ASN 46 HA ASN 46 -23.643 0.813 7.328 292 1HB ASN 46 HB2 ASN 46 -22.877 -1.374 8.748 293 2HB ASN 46 HB1 ASN 46 -21.396 -0.420 8.783 294 H GLY 47 HN GLY 47 -21.476 -0.104 5.054 295 1HA GLY 47 HA2 GLY 47 -20.313 2.228 4.474 296 2HA GLY 47 HA1 GLY 47 -19.344 1.701 5.830 297 H PHE 48 HN PHE 48 -17.527 1.528 4.680 298 HA PHE 48 HA PHE 48 -17.360 -0.713 2.794 299 1HB PHE 48 HB2 PHE 48 -16.088 1.993 2.656 300 2HB PHE 48 HB1 PHE 48 -15.424 0.641 1.796 301 HD1 PHE 48 HD1 PHE 48 -16.537 -0.285 -0.107 302 HD2 PHE 48 HD2 PHE 48 -18.176 3.026 1.978 303 HE1 PHE 48 HE1 PHE 48 -18.020 0.156 -2.011 304 HE2 PHE 48 HE2 PHE 48 -19.673 3.484 0.078 305 HZ PHE 48 HZ PHE 48 -19.587 2.043 -1.923 306 H SER 49 HN SER 49 -15.853 -2.214 3.335 307 HA SER 49 HA SER 49 -13.892 -1.458 5.385 308 1HB SER 49 HB2 SER 49 -14.017 -4.272 5.227 309 2HB SER 49 HB1 SER 49 -14.526 -3.235 6.550 310 HG SER 49 HG SER 49 -16.289 -4.442 5.918 311 H VAL 50 HN VAL 50 -11.936 -1.345 4.731 312 HA VAL 50 HA VAL 50 -11.121 -2.876 2.343 313 HB VAL 50 HB VAL 50 -9.624 -0.406 3.050 314 H GLU 51 HN GLU 51 -8.954 -3.637 2.287 315 HA GLU 51 HA GLU 51 -7.311 -3.397 4.663 316 1HB GLU 51 HB2 GLU 51 -8.588 -5.245 5.394 317 2HB GLU 51 HB1 GLU 51 -8.587 -5.979 3.805 318 1HG GLU 51 HG2 GLU 51 -6.771 -7.148 4.274 319 2HG GLU 51 HG1 GLU 51 -5.895 -5.694 4.747 320 H ALA 52 HN ALA 52 -5.201 -3.467 4.179 321 HA ALA 52 HA ALA 52 -4.476 -4.303 1.446 322 1HB ALA 52 HB1 ALA 52 -3.092 -2.187 3.084 323 2HB ALA 52 HB2 ALA 52 -4.333 -1.852 1.879 324 3HB ALA 52 HB3 ALA 52 -2.807 -2.589 1.392 325 H SER 53 HN SER 53 -2.336 -5.160 1.151 326 HA SER 53 HA SER 53 -0.860 -6.000 3.491 327 1HB SER 53 HB2 SER 53 -1.080 -8.320 3.225 328 2HB SER 53 HB1 SER 53 -2.724 -7.722 2.999 329 HG SER 53 HG SER 53 -2.320 -9.118 1.335 330 H ILE 54 HN ILE 54 1.100 -5.340 2.945 331 HA ILE 54 HA ILE 54 2.185 -6.188 0.346 332 HB ILE 54 HB ILE 54 2.699 -3.490 1.612 333 H GLY 55 HN GLY 55 4.301 -6.904 0.398 334 1HA GLY 55 HA2 GLY 55 5.434 -7.250 3.057 335 2HA GLY 55 HA1 GLY 55 5.866 -8.168 1.637 336 H THR 56 HN THR 56 7.543 -6.835 3.513 337 HA THR 56 HA THR 56 9.078 -5.254 1.615 338 HB THR 56 HB THR 56 9.084 -3.311 2.721 339 HG1 THR 56 HG1 THR 56 8.849 -4.379 5.298 340 HA PRO 57 HA PRO 57 12.404 -7.788 3.155 341 1HB PRO 57 HB2 PRO 57 14.092 -5.384 2.728 342 2HB PRO 57 HB1 PRO 57 14.298 -7.026 2.112 343 1HG PRO 57 HG2 PRO 57 13.466 -5.026 0.539 344 2HG PRO 57 HG1 PRO 57 12.877 -6.682 0.335 345 1HD PRO 57 HD2 PRO 57 11.513 -4.307 1.499 346 2HD PRO 57 HD1 PRO 57 10.843 -5.683 0.596 347 H LEU 58 HN LEU 58 11.530 -4.657 4.363 348 HA LEU 58 HA LEU 58 13.228 -4.920 6.714 349 1HB LEU 58 HB2 LEU 58 11.652 -2.745 5.460 350 2HB LEU 58 HB1 LEU 58 11.815 -2.690 7.204 351 HG LEU 58 HG LEU 58 13.543 -1.332 6.309 352 H GLY 59 HN GLY 59 10.133 -5.799 5.722 353 1HA GLY 59 HA2 GLY 59 9.253 -7.263 7.707 354 2HA GLY 59 HA1 GLY 59 8.972 -5.682 8.401 355 H ASN 60 HN ASN 60 7.283 -8.036 7.251 356 HA ASN 60 HA ASN 60 5.861 -7.316 5.033 357 1HB ASN 60 HB2 ASN 60 4.690 -8.509 7.550 358 2HB ASN 60 HB1 ASN 60 3.993 -8.591 5.940 359 H LEU 61 HN LEU 61 3.581 -6.508 4.946 360 HA LEU 61 HA LEU 61 2.949 -4.449 6.906 361 1HB LEU 61 HB2 LEU 61 4.057 -3.911 4.290 362 2HB LEU 61 HB1 LEU 61 2.463 -3.205 4.447 363 HG LEU 61 HG LEU 61 3.456 -2.312 6.733 364 H LEU 62 HN LEU 62 0.811 -3.926 7.010 365 HA LEU 62 HA LEU 62 -1.078 -4.837 5.056 366 1HB LEU 62 HB2 LEU 62 -0.831 -6.173 7.734 367 2HB LEU 62 HB1 LEU 62 -2.370 -6.102 6.901 368 HG LEU 62 HG LEU 62 -0.507 -7.082 5.023 369 H ALA 63 HN ALA 63 -3.374 -4.421 5.977 370 HA ALA 63 HA ALA 63 -3.709 -2.572 8.082 371 1HB ALA 63 HB1 ALA 63 -4.361 -0.614 6.589 372 2HB ALA 63 HB2 ALA 63 -3.458 -1.433 5.315 373 3HB ALA 63 HB3 ALA 63 -2.638 -0.932 6.793 374 H SER 64 HN SER 64 -5.922 -1.644 8.113 375 HA SER 64 HA SER 64 -7.901 -2.594 6.310 376 1HB SER 64 HB2 SER 64 -8.983 -3.904 8.426 377 2HB SER 64 HB1 SER 64 -8.043 -4.693 7.160 378 HG SER 64 HG SER 64 -6.963 -3.674 9.579 379 H ALA 65 HN ALA 65 -9.797 -1.473 6.554 380 HA ALA 65 HA ALA 65 -10.427 -0.167 9.054 381 1HB ALA 65 HB1 ALA 65 -10.466 2.102 8.085 382 2HB ALA 65 HB2 ALA 65 -9.710 1.466 6.624 383 3HB ALA 65 HB3 ALA 65 -8.842 1.416 8.159 384 H THR 66 HN THR 66 -12.516 0.758 9.112 385 HA THR 66 HA THR 66 -14.261 0.056 6.847 386 HB THR 66 HB THR 66 -14.891 -0.264 9.788 387 HG1 THR 66 HG1 THR 66 -14.064 -2.152 9.522 388 H SER 67 HN SER 67 -15.554 1.698 6.160 389 HA SER 67 HA SER 67 -16.570 3.690 7.924 390 1HB SER 67 HB2 SER 67 -13.986 4.158 6.790 391 2HB SER 67 HB1 SER 67 -15.127 5.287 6.076 392 HG SER 67 HG SER 67 -15.563 6.120 8.041 393 H ASP 68 HN ASP 68 -17.814 5.363 6.757 394 HA ASP 68 HA ASP 68 -19.192 4.165 4.523 395 1HB ASP 68 HB2 ASP 68 -19.787 6.137 6.535 396 2HB ASP 68 HB1 ASP 68 -20.155 6.788 4.940 397 H ASP 69 HN ASP 69 -16.374 5.746 4.643 398 HA ASP 69 HA ASP 69 -16.867 7.189 2.125 399 1HB ASP 69 HB2 ASP 69 -15.054 7.791 4.438 400 2HB ASP 69 HB1 ASP 69 -14.664 8.394 2.828 401 H MET 70 HN MET 70 -16.438 5.588 0.719 402 HA MET 70 HA MET 70 -14.741 3.538 0.654 403 1HB MET 70 HB2 MET 70 -16.013 5.235 -1.299 404 2HB MET 70 HB1 MET 70 -14.478 4.635 -1.907 405 1HG MET 70 HG2 MET 70 -15.793 2.457 -0.692 406 2HG MET 70 HG1 MET 70 -16.985 3.295 -1.684 407 1HE MET 70 HE1 MET 70 -13.830 1.632 -1.231 408 2HE MET 70 HE2 MET 70 -12.902 2.072 -2.673 409 3HE MET 70 HE3 MET 70 -13.768 0.534 -2.611 410 H TYR 71 HN TYR 71 -13.704 6.528 -0.977 411 HA TYR 71 HA TYR 71 -11.019 5.713 -1.079 412 1HB TYR 71 HB2 TYR 71 -12.498 8.176 -1.767 413 2HB TYR 71 HB1 TYR 71 -10.762 8.344 -1.499 414 HD1 TYR 71 HD1 TYR 71 -10.482 8.928 -3.913 415 HD2 TYR 71 HD2 TYR 71 -12.020 5.158 -2.679 416 HE1 TYR 71 HE1 TYR 71 -10.039 8.009 -6.153 417 HE2 TYR 71 HE2 TYR 71 -11.575 4.227 -4.891 418 HH TYR 71 HH TYR 71 -11.259 4.968 -7.170 419 H LYS 72 HN LYS 72 -12.796 7.250 1.440 420 HA LYS 72 HA LYS 72 -10.493 8.330 2.773 421 1HB LYS 72 HB2 LYS 72 -12.833 9.131 3.123 422 2HB LYS 72 HB1 LYS 72 -13.114 7.632 3.978 423 1HG LYS 72 HG2 LYS 72 -12.599 8.873 5.779 424 2HG LYS 72 HG1 LYS 72 -10.948 8.479 5.293 425 1HD LYS 72 HD2 LYS 72 -10.530 10.582 4.517 426 2HD LYS 72 HD1 LYS 72 -12.208 10.858 4.046 427 1HE LYS 72 HE2 LYS 72 -12.462 10.682 6.734 428 2HE LYS 72 HE1 LYS 72 -10.845 11.372 6.605 429 1HZ LYS 72 HZ1 LYS 72 -11.661 13.229 5.460 430 2HZ LYS 72 HZ2 LYS 72 -12.765 12.987 6.719 431 3HZ LYS 72 HZ3 LYS 72 -13.158 12.504 5.146 432 H ALA 73 HN ALA 73 -12.434 5.388 2.888 433 HA ALA 73 HA ALA 73 -11.177 4.163 5.105 434 1HB ALA 73 HB1 ALA 73 -12.192 2.554 2.789 435 2HB ALA 73 HB2 ALA 73 -13.332 3.472 3.772 436 3HB ALA 73 HB3 ALA 73 -12.325 2.232 4.518 437 H ILE 74 HN ILE 74 -10.651 4.137 1.630 438 HA ILE 74 HA ILE 74 -8.322 2.507 1.613 439 HB ILE 74 HB ILE 74 -9.599 4.450 -0.285 440 H ASN 75 HN ASN 75 -9.061 5.887 1.965 441 HA ASN 75 HA ASN 75 -6.534 7.047 1.955 442 1HB ASN 75 HB2 ASN 75 -9.048 7.931 2.095 443 2HB ASN 75 HB1 ASN 75 -8.672 8.057 3.803 444 H GLU 76 HN GLU 76 -8.425 5.489 4.465 445 HA GLU 76 HA GLU 76 -6.623 6.020 6.609 446 1HB GLU 76 HB2 GLU 76 -9.181 4.766 6.244 447 2HB GLU 76 HB1 GLU 76 -8.142 3.692 7.174 448 1HG GLU 76 HG2 GLU 76 -7.752 6.216 8.287 449 2HG GLU 76 HG1 GLU 76 -9.484 6.107 7.981 450 H VAL 77 HN VAL 77 -7.356 3.048 4.751 451 HA VAL 77 HA VAL 77 -5.481 1.343 5.818 452 HB VAL 77 HB VAL 77 -5.954 1.429 2.850 453 H GLU 78 HN GLU 78 -5.052 3.502 3.024 454 HA GLU 78 HA GLU 78 -2.369 2.953 2.567 455 1HB GLU 78 HB2 GLU 78 -3.665 4.205 0.951 456 2HB GLU 78 HB1 GLU 78 -3.928 5.503 2.108 457 1HG GLU 78 HG2 GLU 78 -2.278 6.256 0.603 458 2HG GLU 78 HG1 GLU 78 -1.446 5.870 2.109 459 H GLU 79 HN GLU 79 -3.926 4.983 4.927 460 HA GLU 79 HA GLU 79 -1.602 6.400 5.752 461 1HB GLU 79 HB2 GLU 79 -4.372 6.373 6.416 462 2HB GLU 79 HB1 GLU 79 -3.468 6.148 7.907 463 1HG GLU 79 HG2 GLU 79 -2.073 8.170 6.818 464 2HG GLU 79 HG1 GLU 79 -3.669 8.495 6.143 465 H LYS 80 HN LYS 80 -3.242 3.455 6.854 466 HA LYS 80 HA LYS 80 -1.468 2.991 9.035 467 1HB LYS 80 HB2 LYS 80 -3.795 1.750 7.952 468 2HB LYS 80 HB1 LYS 80 -2.545 0.522 8.074 469 1HG LYS 80 HG2 LYS 80 -3.493 2.295 10.313 470 2HG LYS 80 HG1 LYS 80 -3.924 0.601 10.076 471 1HD LYS 80 HD2 LYS 80 -1.082 0.836 10.010 472 2HD LYS 80 HD1 LYS 80 -1.682 1.679 11.440 473 1HE LYS 80 HE2 LYS 80 -2.732 -1.038 10.782 474 2HE LYS 80 HE1 LYS 80 -1.145 -0.881 11.535 475 1HZ LYS 80 HZ1 LYS 80 -2.700 -1.137 13.268 476 2HZ LYS 80 HZ2 LYS 80 -3.755 0.011 12.614 477 3HZ LYS 80 HZ3 LYS 80 -2.277 0.502 13.273 478 H LEU 81 HN LEU 81 -1.653 1.791 5.704 479 HA LEU 81 HA LEU 81 0.568 0.075 5.818 480 1HB LEU 81 HB2 LEU 81 -1.227 1.083 3.807 481 2HB LEU 81 HB1 LEU 81 0.416 1.159 3.202 482 HG LEU 81 HG LEU 81 -1.055 -0.958 2.785 483 H GLU 82 HN GLU 82 0.280 3.505 4.898 484 HA GLU 82 HA GLU 82 3.014 3.878 4.280 485 1HB GLU 82 HB2 GLU 82 1.096 5.414 3.688 486 2HB GLU 82 HB1 GLU 82 1.120 5.968 5.354 487 1HG GLU 82 HG2 GLU 82 3.727 6.048 4.042 488 2HG GLU 82 HG1 GLU 82 2.510 7.085 3.297 489 H ARG 83 HN ARG 83 1.118 4.582 7.194 490 HA ARG 83 HA ARG 83 3.098 5.570 8.839 491 1HB ARG 83 HB2 ARG 83 0.555 4.108 9.281 492 2HB ARG 83 HB1 ARG 83 1.679 4.138 10.633 493 1HG ARG 83 HG2 ARG 83 1.754 6.647 10.349 494 2HG ARG 83 HG1 ARG 83 0.389 6.468 9.246 495 1HD ARG 83 HD2 ARG 83 -0.938 5.453 10.999 496 2HD ARG 83 HD1 ARG 83 0.436 5.505 12.103 497 HE ARG 83 HE ARG 83 0.112 8.096 11.406 498 1HH1 ARG 83 HH11 ARG 83 -2.075 5.669 12.635 499 2HH1 ARG 83 HH12 ARG 83 -3.080 6.814 13.458 500 1HH2 ARG 83 HH21 ARG 83 -1.209 9.602 12.488 501 2HH2 ARG 83 HH22 ARG 83 -2.590 9.046 13.375 502 H GLN 84 HN GLN 84 2.166 2.169 8.357 503 HA GLN 84 HA GLN 84 4.128 1.055 10.035 504 1HB GLN 84 HB2 GLN 84 2.543 -0.001 7.712 505 2HB GLN 84 HB1 GLN 84 3.794 -0.985 8.460 506 1HG GLN 84 HG2 GLN 84 2.651 -0.773 10.618 507 2HG GLN 84 HG1 GLN 84 1.387 0.176 9.838 508 H LEU 85 HN LEU 85 4.118 1.865 6.588 509 HA LEU 85 HA LEU 85 6.597 0.848 5.833 510 1HB LEU 85 HB2 LEU 85 4.749 2.892 4.865 511 2HB LEU 85 HB1 LEU 85 6.420 3.294 4.521 512 HG LEU 85 HG LEU 85 5.524 0.550 3.823 513 H ASN 86 HN ASN 86 5.791 4.085 7.052 514 HA ASN 86 HA ASN 86 8.410 5.049 7.265 515 1HB ASN 86 HB2 ASN 86 6.019 6.212 7.573 516 2HB ASN 86 HB1 ASN 86 6.377 5.917 9.273 517 H LYS 87 HN LYS 87 6.444 3.074 9.399 518 HA LYS 87 HA LYS 87 8.042 3.201 11.714 519 1HB LYS 87 HB2 LYS 87 5.850 1.611 10.759 520 2HB LYS 87 HB1 LYS 87 7.082 0.537 11.411 521 1HG LYS 87 HG2 LYS 87 6.398 2.894 13.053 522 2HG LYS 87 HG1 LYS 87 5.154 1.653 12.896 523 1HD LYS 87 HD2 LYS 87 6.403 0.068 13.986 524 2HD LYS 87 HD1 LYS 87 7.938 0.804 13.522 525 1HE LYS 87 HE2 LYS 87 7.926 1.420 15.705 526 2HE LYS 87 HE1 LYS 87 6.994 2.767 15.055 527 1HZ LYS 87 HZ1 LYS 87 5.579 2.144 16.678 528 2HZ LYS 87 HZ2 LYS 87 6.129 0.545 16.722 529 3HZ LYS 87 HZ3 LYS 87 5.047 1.034 15.517 530 H LEU 88 HN LEU 88 8.140 1.104 8.859 531 HA LEU 88 HA LEU 88 10.331 -0.456 9.692 532 1HB LEU 88 HB2 LEU 88 9.728 0.275 6.830 533 2HB LEU 88 HB1 LEU 88 10.539 -1.161 7.416 534 HG LEU 88 HG LEU 88 7.605 -0.506 7.565 535 H GLN 89 HN GLN 89 10.108 2.335 7.537 536 HA GLN 89 HA GLN 89 12.834 2.755 7.091 537 1HB GLN 89 HB2 GLN 89 10.796 4.973 7.399 538 2HB GLN 89 HB1 GLN 89 12.304 5.041 6.505 539 1HG GLN 89 HG2 GLN 89 9.812 3.524 5.774 540 2HG GLN 89 HG1 GLN 89 10.520 4.902 4.953 541 H HIS 90 HN HIS 90 10.815 3.459 9.817 542 HA HIS 90 HA HIS 90 12.642 5.210 11.162 543 1HB HIS 90 HB2 HIS 90 10.122 3.768 11.962 544 2HB HIS 90 HB1 HIS 90 11.050 4.704 13.116 545 HD1 HIS 90 HD1 HIS 90 11.735 7.085 11.171 546 HD2 HIS 90 HD2 HIS 90 7.959 5.464 11.789 547 HE1 HIS 90 HE1 HIS 90 10.113 8.898 10.534 548 HE2 HIS 90 HE2 HIS 90 7.836 7.923 10.997 549 H LYS 91 HN LYS 91 11.509 1.894 11.767 550 HA LYS 91 HA LYS 91 13.040 1.248 13.926 551 1HB LYS 91 HB2 LYS 91 11.482 -0.156 12.024 552 2HB LYS 91 HB1 LYS 91 13.004 -1.023 12.178 553 1HG LYS 91 HG2 LYS 91 11.658 -2.013 13.779 554 2HG LYS 91 HG1 LYS 91 12.602 -0.850 14.712 555 1HD LYS 91 HD2 LYS 91 9.979 0.005 13.585 556 2HD LYS 91 HD1 LYS 91 9.992 -1.039 15.008 557 1HE LYS 91 HE2 LYS 91 11.253 1.680 14.708 558 2HE LYS 91 HE1 LYS 91 9.912 1.227 15.760 559 1HZ LYS 91 HZ1 LYS 91 11.630 -0.389 16.769 560 2HZ LYS 91 HZ2 LYS 91 11.697 1.246 17.193 561 3HZ LYS 91 HZ3 LYS 91 12.780 0.624 16.050 562 H SER 92 HN SER 92 14.882 -0.433 13.907 563 HA SER 92 HA SER 92 16.749 -0.533 11.821 564 1HB SER 92 HB2 SER 92 16.932 1.824 13.592 565 2HB SER 92 HB1 SER 92 18.446 0.954 13.342 566 HG SER 92 HG SER 92 16.777 2.181 11.422 567 H GLU 93 HN GLU 93 16.234 -2.659 12.895 568 HA GLU 93 HA GLU 93 17.151 -3.333 15.447 569 1HB GLU 93 HB2 GLU 93 15.846 -4.654 13.440 570 2HB GLU 93 HB1 GLU 93 17.417 -5.443 13.415 571 1HG GLU 93 HG2 GLU 93 16.843 -5.381 16.087 572 2HG GLU 93 HG1 GLU 93 15.253 -5.621 15.362 573 H SER 94 HN SER 94 18.756 -3.919 12.314 574 HA SER 94 HA SER 94 20.941 -4.189 11.750 575 1HB SER 94 HB2 SER 94 20.973 -2.175 13.920 576 2HB SER 94 HB1 SER 94 22.519 -2.945 13.563 577 HG SER 94 HG SER 94 21.102 -1.119 12.112 578 H ARG 95 HN ARG 95 19.606 -6.035 13.732 579 HA ARG 95 HA ARG 95 22.053 -7.174 14.916 580 1HB ARG 95 HB2 ARG 95 19.634 -6.494 16.162 581 2HB ARG 95 HB1 ARG 95 19.614 -8.248 16.043 582 1HG ARG 95 HG2 ARG 95 21.311 -8.506 17.514 583 2HG ARG 95 HG1 ARG 95 22.122 -7.024 17.008 584 1HD ARG 95 HD2 ARG 95 21.340 -6.079 18.866 585 2HD ARG 95 HD1 ARG 95 19.734 -6.161 18.141 586 HE ARG 95 HE ARG 95 20.431 -8.607 19.417 587 1HH1 ARG 95 HH11 ARG 95 19.320 -5.360 20.050 588 2HH1 ARG 95 HH12 ARG 95 18.524 -5.786 21.528 589 1HH2 ARG 95 HH21 ARG 95 19.385 -9.169 21.361 590 2HH2 ARG 95 HH22 ARG 95 18.561 -7.948 22.273 591 H ARG 96 HN ARG 96 19.159 -7.797 13.046 592 HA ARG 96 HA ARG 96 20.345 -10.288 12.104 593 1HB ARG 96 HB2 ARG 96 18.251 -10.261 13.993 594 2HB ARG 96 HB1 ARG 96 17.517 -10.707 12.459 595 1HG ARG 96 HG2 ARG 96 19.295 -12.458 12.225 596 2HG ARG 96 HG1 ARG 96 19.777 -12.087 13.882 597 1HD ARG 96 HD2 ARG 96 18.041 -13.200 14.753 598 2HD ARG 96 HD1 ARG 96 16.909 -12.533 13.580 599 HE ARG 96 HE ARG 96 17.167 -14.416 12.301 600 1HH1 ARG 96 HH11 ARG 96 19.701 -14.313 14.698 601 2HH1 ARG 96 HH12 ARG 96 20.265 -15.912 14.353 602 1HH2 ARG 96 HH21 ARG 96 17.908 -16.521 11.845 603 2HH2 ARG 96 HH22 ARG 96 19.247 -17.166 12.732 604 H ALA 97 HN ALA 97 19.820 -10.807 10.009 605 HA ALA 97 HA ALA 97 18.063 -8.899 8.606 606 1HB ALA 97 HB1 ALA 97 19.662 -9.716 6.619 607 2HB ALA 97 HB2 ALA 97 20.779 -9.875 7.975 608 3HB ALA 97 HB3 ALA 97 20.023 -8.319 7.634 609 H ASP 98 HN ASP 98 16.700 -9.685 7.012 610 HA ASP 98 HA ASP 98 15.299 -11.171 6.010 611 1HB ASP 98 HB2 ASP 98 17.961 -12.428 5.882 612 2HB ASP 98 HB1 ASP 98 16.613 -13.546 5.698 613 H GLU 99 HN GLU 99 14.312 -13.449 6.256 614 HA GLU 99 HA GLU 99 14.602 -14.884 8.657 615 1HB GLU 99 HB2 GLU 99 12.542 -14.205 9.819 616 2HB GLU 99 HB1 GLU 99 13.699 -12.885 9.713 617 1HG GLU 99 HG2 GLU 99 12.109 -12.636 7.440 618 2HG GLU 99 HG1 GLU 99 10.994 -13.043 8.743 619 H ARG 100 HN ARG 100 13.611 -16.812 8.478 620 HA ARG 100 HA ARG 100 11.149 -17.301 7.240 621 1HB ARG 100 HB2 ARG 100 11.958 -18.501 5.199 622 2HB ARG 100 HB1 ARG 100 12.174 -16.757 5.144 623 1HG ARG 100 HG2 ARG 100 14.493 -16.924 5.475 624 2HG ARG 100 HG1 ARG 100 14.378 -18.609 5.988 625 1HD ARG 100 HD2 ARG 100 14.995 -19.040 3.868 626 2HD ARG 100 HD1 ARG 100 13.289 -18.767 3.520 627 HE ARG 100 HE ARG 100 14.683 -16.319 3.423 628 1HH1 ARG 100 HH11 ARG 100 14.303 -19.293 1.635 629 2HH1 ARG 100 HH12 ARG 100 14.670 -18.566 0.106 630 1HH2 ARG 100 HH21 ARG 100 15.166 -15.362 1.413 631 2HH2 ARG 100 HH22 ARG 100 15.160 -16.335 -0.020 632 H LEU 101 HN LEU 101 14.361 -18.573 7.949 633 HA LEU 101 HA LEU 101 15.066 -20.490 8.945 634 1HB LEU 101 HB2 LEU 101 12.327 -20.115 10.032 635 2HB LEU 101 HB1 LEU 101 13.090 -21.671 10.292 636 HG LEU 101 HG LEU 101 13.475 -20.271 12.212 637 H LYS 102 HN LYS 102 11.749 -21.626 8.458 638 HA LYS 102 HA LYS 102 12.772 -23.528 6.453 639 1HB LYS 102 HB2 LYS 102 11.029 -25.122 7.347 640 2HB LYS 102 HB1 LYS 102 12.383 -24.803 8.423 641 1HG LYS 102 HG2 LYS 102 11.047 -23.311 9.748 642 2HG LYS 102 HG1 LYS 102 9.704 -23.443 8.611 643 1HD LYS 102 HD2 LYS 102 9.269 -25.671 9.214 644 2HD LYS 102 HD1 LYS 102 10.836 -25.851 10.005 645 1HE LYS 102 HE2 LYS 102 8.911 -23.811 11.022 646 2HE LYS 102 HE1 LYS 102 8.652 -25.511 11.416 647 1HZ LYS 102 HZ1 LYS 102 11.342 -24.471 11.822 648 2HZ LYS 102 HZ2 LYS 102 10.454 -25.569 12.753 649 3HZ LYS 102 HZ3 LYS 102 10.151 -23.910 12.886 650 H ASP 103 HN ASP 103 9.965 -21.733 7.639 651 HA ASP 103 HA ASP 103 8.536 -22.243 5.146 652 1HB ASP 103 HB2 ASP 103 6.643 -21.101 6.264 653 2HB ASP 103 HB1 ASP 103 7.250 -22.464 7.199 654 H SER 104 HN SER 104 7.926 -20.646 3.707 655 HA SER 104 HA SER 104 9.419 -18.125 3.953 656 1HB SER 104 HB2 SER 104 9.954 -19.535 1.983 657 2HB SER 104 HB1 SER 104 8.273 -19.412 1.462 658 HG SER 104 HG SER 104 10.293 -17.482 1.454 659 H PHE 105 HN PHE 105 6.359 -19.306 2.543 660 HA PHE 105 HA PHE 105 5.176 -16.674 3.076 661 1HB PHE 105 HB2 PHE 105 5.123 -18.004 0.774 662 2HB PHE 105 HB1 PHE 105 3.724 -18.765 1.524 663 HD1 PHE 105 HD1 PHE 105 1.918 -17.181 2.470 664 HD2 PHE 105 HD2 PHE 105 4.892 -15.988 -0.331 665 HE1 PHE 105 HE1 PHE 105 0.522 -15.266 1.809 666 HE2 PHE 105 HE2 PHE 105 3.502 -14.069 -0.996 667 HZ PHE 105 HZ PHE 105 1.314 -13.706 0.075 668 H GLU 106 HN GLU 106 3.224 -16.458 4.183 669 HA GLU 106 HA GLU 106 1.906 -18.759 5.312 670 1HB GLU 106 HB2 GLU 106 2.217 -17.803 7.683 671 2HB GLU 106 HB1 GLU 106 3.546 -18.714 6.980 672 1HG GLU 106 HG2 GLU 106 4.619 -16.586 6.338 673 2HG GLU 106 HG1 GLU 106 3.318 -15.719 7.153 674 H ASN 107 HN ASN 107 2.325 -15.238 5.484 675 HA ASN 107 HA ASN 107 -0.595 -14.966 5.351 676 1HB ASN 107 HB2 ASN 107 -0.556 -13.160 6.996 677 2HB ASN 107 HB1 ASN 107 0.086 -14.640 7.699 Start of MODEL 6 1 1H MET 1 HT1 MET 1 6.433 -5.882 -8.626 2 2H MET 1 HT2 MET 1 6.914 -4.434 -7.841 3 3H MET 1 HT3 MET 1 5.874 -4.369 -9.206 4 HA MET 1 HA MET 1 5.086 -5.885 -6.849 5 1HB MET 1 HB2 MET 1 3.895 -3.570 -6.292 6 2HB MET 1 HB1 MET 1 5.492 -3.961 -5.676 7 1HG MET 1 HG2 MET 1 5.564 -2.667 -8.282 8 2HG MET 1 HG1 MET 1 4.792 -1.688 -7.038 9 1HE MET 1 HE1 MET 1 7.480 -2.442 -8.891 10 2HE MET 1 HE2 MET 1 8.788 -3.081 -7.896 11 3HE MET 1 HE3 MET 1 8.684 -1.349 -8.209 12 H THR 2 HN THR 2 3.735 -3.212 -8.779 13 HA THR 2 HA THR 2 1.986 -3.117 -10.231 14 HB THR 2 HB THR 2 1.759 -6.114 -10.136 15 HG1 THR 2 HG1 THR 2 3.289 -6.154 -11.802 16 H LEU 3 HN LEU 3 1.864 -4.192 -7.169 17 HA LEU 3 HA LEU 3 0.223 -4.754 -5.650 18 1HB LEU 3 HB2 LEU 3 0.315 -2.328 -5.695 19 2HB LEU 3 HB1 LEU 3 -0.875 -2.286 -6.982 20 HG LEU 3 HG LEU 3 -1.556 -3.567 -4.361 21 H ASN 4 HN ASN 4 -0.910 -6.582 -5.932 22 HA ASN 4 HA ASN 4 -2.959 -6.742 -7.988 23 1HB ASN 4 HB2 ASN 4 -2.300 -8.822 -5.907 24 2HB ASN 4 HB1 ASN 4 -3.136 -9.058 -7.436 25 H ILE 5 HN ILE 5 -5.159 -7.447 -7.439 26 HA ILE 5 HA ILE 5 -6.013 -6.462 -4.796 27 HB ILE 5 HB ILE 5 -7.690 -6.153 -7.281 28 H THR 6 HN THR 6 -7.915 -7.394 -3.917 29 HA THR 6 HA THR 6 -9.133 -9.666 -5.212 30 HB THR 6 HB THR 6 -7.602 -10.073 -2.637 31 HG1 THR 6 HG1 THR 6 -6.280 -11.414 -3.950 32 H SER 7 HN SER 7 -10.759 -7.892 -4.869 33 HA SER 7 HA SER 7 -11.712 -7.458 -2.187 34 1HB SER 7 HB2 SER 7 -13.615 -6.704 -4.215 35 2HB SER 7 HB1 SER 7 -12.705 -5.694 -3.113 36 HG SER 7 HG SER 7 -12.277 -5.300 -5.371 37 H LYS 8 HN LYS 8 -13.572 -8.260 -1.245 38 HA LYS 8 HA LYS 8 -14.384 -10.855 -2.101 39 1HB LYS 8 HB2 LYS 8 -15.398 -11.083 -0.059 40 2HB LYS 8 HB1 LYS 8 -14.212 -9.843 0.307 41 1HG LYS 8 HG2 LYS 8 -16.030 -8.143 -0.091 42 2HG LYS 8 HG1 LYS 8 -17.161 -9.495 -0.152 43 1HD LYS 8 HD2 LYS 8 -15.621 -9.902 2.153 44 2HD LYS 8 HD1 LYS 8 -15.999 -8.179 2.133 45 1HE LYS 8 HE2 LYS 8 -18.156 -8.537 2.603 46 2HE LYS 8 HE1 LYS 8 -18.279 -9.857 1.441 47 1HZ LYS 8 HZ1 LYS 8 -16.755 -10.485 3.813 48 2HZ LYS 8 HZ2 LYS 8 -17.954 -11.383 3.026 49 3HZ LYS 8 HZ3 LYS 8 -18.390 -10.155 4.105 50 H GLN 9 HN GLN 9 -16.122 -7.737 -1.935 51 HA GLN 9 HA GLN 9 -18.205 -8.955 -3.609 52 1HB GLN 9 HB2 GLN 9 -19.553 -6.877 -2.821 53 2HB GLN 9 HB1 GLN 9 -19.357 -8.248 -1.740 54 1HG GLN 9 HG2 GLN 9 -17.187 -6.486 -1.292 55 2HG GLN 9 HG1 GLN 9 -18.662 -5.528 -1.325 56 H MET 10 HN MET 10 -17.627 -5.494 -3.141 57 HA MET 10 HA MET 10 -18.087 -4.735 -5.725 58 1HB MET 10 HB2 MET 10 -16.591 -2.741 -5.201 59 2HB MET 10 HB1 MET 10 -17.952 -3.024 -4.129 60 1HG MET 10 HG2 MET 10 -16.614 -3.717 -2.389 61 2HG MET 10 HG1 MET 10 -15.286 -4.154 -3.456 62 1HE MET 10 HE1 MET 10 -13.901 -1.353 -1.087 63 2HE MET 10 HE2 MET 10 -14.308 -3.066 -1.179 64 3HE MET 10 HE3 MET 10 -15.502 -1.908 -0.598 65 H ASP 11 HN ASP 11 -17.187 -5.571 -7.493 66 HA ASP 11 HA ASP 11 -14.680 -6.782 -7.631 67 1HB ASP 11 HB2 ASP 11 -16.216 -5.525 -9.912 68 2HB ASP 11 HB1 ASP 11 -14.964 -6.755 -10.050 69 H ILE 12 HN ILE 12 -13.172 -5.903 -9.613 70 HA ILE 12 HA ILE 12 -12.203 -3.321 -8.616 71 HB ILE 12 HB ILE 12 -10.431 -4.573 -10.536 72 H THR 13 HN THR 13 -12.014 -1.568 -9.876 73 HA THR 13 HA THR 13 -12.466 -1.796 -12.749 74 HB THR 13 HB THR 13 -14.370 -0.566 -12.828 75 HG1 THR 13 HG1 THR 13 -14.821 1.146 -11.418 76 HA PRO 14 HA PRO 14 -9.695 1.551 -13.603 77 1HB PRO 14 HB2 PRO 14 -11.942 3.527 -13.619 78 2HB PRO 14 HB1 PRO 14 -10.605 3.343 -14.761 79 1HG PRO 14 HG2 PRO 14 -13.020 2.424 -15.374 80 2HG PRO 14 HG1 PRO 14 -11.569 1.495 -15.793 81 1HD PRO 14 HD2 PRO 14 -13.580 1.010 -13.660 82 2HD PRO 14 HD1 PRO 14 -12.604 -0.155 -14.576 83 H ALA 15 HN ALA 15 -12.279 2.837 -11.489 84 HA ALA 15 HA ALA 15 -10.772 4.709 -10.111 85 1HB ALA 15 HB1 ALA 15 -12.445 4.462 -8.291 86 2HB ALA 15 HB2 ALA 15 -13.096 3.054 -9.130 87 3HB ALA 15 HB3 ALA 15 -13.168 4.644 -9.889 88 H ILE 16 HN ILE 16 -11.778 1.680 -8.529 89 HA ILE 16 HA ILE 16 -9.910 1.654 -6.510 90 HB ILE 16 HB ILE 16 -11.321 -0.566 -7.954 91 H ARG 17 HN ARG 17 -9.593 -0.268 -9.512 92 HA ARG 17 HA ARG 17 -7.072 -1.218 -9.300 93 1HB ARG 17 HB2 ARG 17 -8.672 -1.482 -11.244 94 2HB ARG 17 HB1 ARG 17 -8.076 0.056 -11.848 95 1HG ARG 17 HG2 ARG 17 -6.196 -0.848 -12.645 96 2HG ARG 17 HG1 ARG 17 -5.958 -1.853 -11.214 97 1HD ARG 17 HD2 ARG 17 -8.204 -2.895 -12.540 98 2HD ARG 17 HD1 ARG 17 -7.005 -2.569 -13.790 99 HE ARG 17 HE ARG 17 -6.867 -4.571 -11.726 100 1HH1 ARG 17 HH11 ARG 17 -5.031 -2.629 -13.972 101 2HH1 ARG 17 HH12 ARG 17 -3.688 -3.722 -14.011 102 1HH2 ARG 17 HH21 ARG 17 -5.101 -6.008 -11.777 103 2HH2 ARG 17 HH22 ARG 17 -3.729 -5.640 -12.766 104 H GLU 18 HN GLU 18 -7.773 1.888 -10.915 105 HA GLU 18 HA GLU 18 -5.122 2.758 -11.107 106 1HB GLU 18 HB2 GLU 18 -6.948 3.759 -12.396 107 2HB GLU 18 HB1 GLU 18 -7.663 4.396 -10.920 108 1HG GLU 18 HG2 GLU 18 -6.496 6.249 -11.209 109 2HG GLU 18 HG1 GLU 18 -5.018 5.321 -10.957 110 H HIS 19 HN HIS 19 -7.524 3.206 -8.553 111 HA HIS 19 HA HIS 19 -6.132 5.053 -6.977 112 1HB HIS 19 HB2 HIS 19 -8.558 4.138 -6.794 113 2HB HIS 19 HB1 HIS 19 -7.841 2.860 -5.826 114 HD1 HIS 19 HD1 HIS 19 -6.691 6.433 -5.545 115 HD2 HIS 19 HD2 HIS 19 -9.021 3.657 -3.546 116 HE1 HIS 19 HE1 HIS 19 -7.196 7.482 -3.311 117 HE2 HIS 19 HE2 HIS 19 -8.697 5.821 -2.150 118 H LEU 20 HN LEU 20 -6.523 1.601 -6.249 119 HA LEU 20 HA LEU 20 -4.531 1.290 -4.389 120 1HB LEU 20 HB2 LEU 20 -4.857 -0.860 -6.419 121 2HB LEU 20 HB1 LEU 20 -4.716 -0.973 -4.674 122 HG LEU 20 HG LEU 20 -7.174 0.017 -6.109 123 H GLU 21 HN GLU 21 -4.216 0.809 -7.907 124 HA GLU 21 HA GLU 21 -1.513 0.209 -8.025 125 1HB GLU 21 HB2 GLU 21 -3.343 1.639 -9.940 126 2HB GLU 21 HB1 GLU 21 -1.647 1.379 -10.326 127 1HG GLU 21 HG2 GLU 21 -2.036 -1.066 -9.943 128 2HG GLU 21 HG1 GLU 21 -3.756 -0.703 -9.831 129 H GLU 22 HN GLU 22 -3.008 3.430 -8.385 130 HA GLU 22 HA GLU 22 -0.684 4.940 -8.508 131 1HB GLU 22 HB2 GLU 22 -2.923 5.878 -8.905 132 2HB GLU 22 HB1 GLU 22 -3.308 5.693 -7.199 133 1HG GLU 22 HG2 GLU 22 -2.605 7.774 -6.932 134 2HG GLU 22 HG1 GLU 22 -0.971 7.161 -7.185 135 H ARG 23 HN ARG 23 -2.474 3.777 -5.693 136 HA ARG 23 HA ARG 23 -0.969 5.062 -3.700 137 1HB ARG 23 HB2 ARG 23 -3.160 3.502 -3.611 138 2HB ARG 23 HB1 ARG 23 -1.951 2.322 -3.119 139 1HG ARG 23 HG2 ARG 23 -2.971 3.416 -1.205 140 2HG ARG 23 HG1 ARG 23 -1.248 3.776 -1.303 141 1HD ARG 23 HD2 ARG 23 -1.729 5.943 -1.249 142 2HD ARG 23 HD1 ARG 23 -2.587 5.771 -2.780 143 HE ARG 23 HE ARG 23 -4.245 4.968 -0.638 144 1HH1 ARG 23 HH11 ARG 23 -2.892 7.827 -2.113 145 2HH1 ARG 23 HH12 ARG 23 -4.183 8.857 -1.595 146 1HH2 ARG 23 HH21 ARG 23 -5.944 6.321 0.044 147 2HH2 ARG 23 HH22 ARG 23 -5.916 8.003 -0.370 148 H LEU 24 HN LEU 24 -0.545 1.959 -5.341 149 HA LEU 24 HA LEU 24 1.707 1.097 -3.868 150 1HB LEU 24 HB2 LEU 24 0.475 -0.472 -5.212 151 2HB LEU 24 HB1 LEU 24 0.772 0.460 -6.666 152 HG LEU 24 HG LEU 24 3.312 -0.070 -5.990 153 H ALA 25 HN ALA 25 1.385 2.807 -6.964 154 HA ALA 25 HA ALA 25 4.105 3.104 -7.533 155 1HB ALA 25 HB1 ALA 25 2.084 5.210 -8.226 156 2HB ALA 25 HB2 ALA 25 2.053 3.625 -9.000 157 3HB ALA 25 HB3 ALA 25 3.475 4.656 -9.159 158 H LYS 26 HN LYS 26 1.982 4.824 -5.369 159 HA LYS 26 HA LYS 26 3.820 6.987 -4.883 160 1HB LYS 26 HB2 LYS 26 1.108 6.240 -4.034 161 2HB LYS 26 HB1 LYS 26 2.056 7.029 -2.781 162 1HG LYS 26 HG2 LYS 26 1.839 8.196 -5.531 163 2HG LYS 26 HG1 LYS 26 0.604 8.483 -4.303 164 1HD LYS 26 HD2 LYS 26 1.928 10.255 -3.817 165 2HD LYS 26 HD1 LYS 26 2.797 9.049 -2.866 166 1HE LYS 26 HE2 LYS 26 4.493 8.847 -4.441 167 2HE LYS 26 HE1 LYS 26 3.500 9.508 -5.738 168 1HZ LYS 26 HZ1 LYS 26 3.864 11.648 -5.050 169 2HZ LYS 26 HZ2 LYS 26 5.347 10.945 -4.645 170 3HZ LYS 26 HZ3 LYS 26 4.184 11.214 -3.446 171 H LEU 27 HN LEU 27 2.974 3.920 -3.402 172 HA LEU 27 HA LEU 27 4.593 4.373 -1.063 173 1HB LEU 27 HB2 LEU 27 2.923 2.133 -2.099 174 2HB LEU 27 HB1 LEU 27 4.157 1.758 -0.913 175 HG LEU 27 HG LEU 27 1.806 3.616 -0.568 176 H GLY 28 HN GLY 28 5.274 3.548 -4.249 177 1HA GLY 28 HA2 GLY 28 7.275 1.597 -3.997 178 2HA GLY 28 HA1 GLY 28 7.177 2.786 -5.287 179 H LYS 29 HN LYS 29 7.585 5.135 -4.091 180 HA LYS 29 HA LYS 29 10.388 5.101 -3.547 181 1HB LYS 29 HB2 LYS 29 10.282 7.447 -3.563 182 2HB LYS 29 HB1 LYS 29 9.087 6.936 -4.741 183 1HG LYS 29 HG2 LYS 29 7.599 8.208 -3.699 184 2HG LYS 29 HG1 LYS 29 7.721 7.154 -2.292 185 1HD LYS 29 HD2 LYS 29 9.914 8.663 -1.923 186 2HD LYS 29 HD1 LYS 29 8.888 9.822 -2.771 187 1HE LYS 29 HE2 LYS 29 7.071 9.166 -1.090 188 2HE LYS 29 HE1 LYS 29 8.369 8.414 -0.165 189 1HZ LYS 29 HZ1 LYS 29 7.702 10.844 0.322 190 2HZ LYS 29 HZ2 LYS 29 8.630 11.211 -1.044 191 3HZ LYS 29 HZ3 LYS 29 9.343 10.435 0.278 192 H TRP 30 HN TRP 30 7.778 4.511 -1.573 193 HA TRP 30 HA TRP 30 8.562 5.885 0.771 194 1HB TRP 30 HB2 TRP 30 6.468 4.049 -0.031 195 2HB TRP 30 HB1 TRP 30 7.045 3.711 1.594 196 HD1 TRP 30 HD1 TRP 30 4.896 6.104 -0.333 197 HE1 TRP 30 HE1 TRP 30 3.976 7.903 1.256 198 HE3 TRP 30 HE3 TRP 30 7.772 5.104 3.750 199 HZ2 TRP 30 HZ2 TRP 30 4.428 8.787 3.912 200 HZ3 TRP 30 HZ3 TRP 30 7.482 6.467 5.769 201 HH2 TRP 30 HH2 TRP 30 5.843 8.275 5.849 202 H GLN 31 HN GLN 31 10.889 5.221 0.458 203 HA GLN 31 HA GLN 31 12.675 3.735 0.799 204 1HB GLN 31 HB2 GLN 31 11.347 4.395 3.412 205 2HB GLN 31 HB1 GLN 31 12.853 3.490 3.359 206 1HG GLN 31 HG2 GLN 31 12.386 6.268 2.306 207 2HG GLN 31 HG1 GLN 31 13.296 5.819 3.748 208 H THR 32 HN THR 32 10.992 1.979 -0.275 209 HA THR 32 HA THR 32 11.604 -0.433 1.067 210 HB THR 32 HB THR 32 8.889 0.754 1.414 211 HG1 THR 32 HG1 THR 32 10.411 0.554 3.135 212 H GLN 33 HN GLN 33 10.656 -2.322 -0.047 213 HA GLN 33 HA GLN 33 9.986 -1.782 -2.854 214 1HB GLN 33 HB2 GLN 33 11.178 -4.138 -3.124 215 2HB GLN 33 HB1 GLN 33 12.077 -2.633 -3.226 216 1HG GLN 33 HG2 GLN 33 11.790 -4.041 -0.611 217 2HG GLN 33 HG1 GLN 33 12.990 -4.578 -1.785 218 H LEU 34 HN LEU 34 7.858 -2.057 -2.459 219 HA LEU 34 HA LEU 34 6.592 -3.826 -0.856 220 1HB LEU 34 HB2 LEU 34 5.779 -2.700 -3.518 221 2HB LEU 34 HB1 LEU 34 4.699 -3.700 -2.573 222 HG LEU 34 HG LEU 34 4.244 -2.049 -1.079 223 H ILE 35 HN ILE 35 7.431 -5.841 -0.729 224 HA ILE 35 HA ILE 35 7.914 -7.517 -2.986 225 HB ILE 35 HB ILE 35 7.714 -8.107 -0.031 226 H SER 36 HN SER 36 6.218 -8.076 -4.231 227 HA SER 36 HA SER 36 4.111 -8.729 -4.864 228 1HB SER 36 HB2 SER 36 5.388 -10.772 -3.592 229 2HB SER 36 HB1 SER 36 3.913 -10.664 -2.630 230 HG SER 36 HG SER 36 2.784 -10.730 -4.716 231 HA PRO 37 HA PRO 37 1.647 -6.523 -1.771 232 1HB PRO 37 HB2 PRO 37 0.924 -4.517 -3.494 233 2HB PRO 37 HB1 PRO 37 2.397 -4.513 -2.526 234 1HG PRO 37 HG2 PRO 37 2.141 -4.745 -5.386 235 2HG PRO 37 HG1 PRO 37 3.616 -4.628 -4.427 236 1HD PRO 37 HD2 PRO 37 2.281 -6.983 -5.575 237 2HD PRO 37 HD1 PRO 37 3.966 -6.775 -5.059 238 H HIS 38 HN HIS 38 -0.479 -6.688 -1.384 239 HA HIS 38 HA HIS 38 -2.298 -7.273 -3.621 240 1HB HIS 38 HB2 HIS 38 -1.787 -8.856 -1.219 241 2HB HIS 38 HB1 HIS 38 -3.482 -8.496 -1.454 242 HD1 HIS 38 HD1 HIS 38 -1.140 -11.006 -2.213 243 HD2 HIS 38 HD2 HIS 38 -4.200 -9.176 -4.346 244 HE1 HIS 38 HE1 HIS 38 -1.736 -12.615 -4.050 245 HE2 HIS 38 HE2 HIS 38 -3.523 -11.446 -5.386 246 H PHE 39 HN PHE 39 -4.633 -7.002 -2.837 247 HA PHE 39 HA PHE 39 -4.970 -5.042 -0.758 248 1HB PHE 39 HB2 PHE 39 -4.812 -4.250 -3.528 249 2HB PHE 39 HB1 PHE 39 -6.386 -3.875 -2.838 250 HD1 PHE 39 HD1 PHE 39 -6.701 -2.072 -1.408 251 HD2 PHE 39 HD2 PHE 39 -2.754 -3.381 -2.314 252 HE1 PHE 39 HE1 PHE 39 -5.789 -0.081 -0.289 253 HE2 PHE 39 HE2 PHE 39 -1.833 -1.392 -1.192 254 HZ PHE 39 HZ PHE 39 -3.356 0.260 -0.179 255 H VAL 40 HN VAL 40 -6.318 -6.400 0.316 256 HA VAL 40 HA VAL 40 -8.606 -7.535 -1.054 257 HB VAL 40 HB VAL 40 -7.696 -7.748 1.823 258 H LEU 41 HN LEU 41 -9.834 -5.719 -1.544 259 HA LEU 41 HA LEU 41 -10.711 -4.025 0.672 260 1HB LEU 41 HB2 LEU 41 -11.508 -2.492 -0.973 261 2HB LEU 41 HB1 LEU 41 -9.871 -2.951 -1.390 262 HG LEU 41 HG LEU 41 -12.179 -4.346 -2.666 263 H ASN 42 HN ASN 42 -12.873 -3.623 1.118 264 HA ASN 42 HA ASN 42 -14.912 -5.162 -0.235 265 1HB ASN 42 HB2 ASN 42 -14.402 -5.552 2.718 266 2HB ASN 42 HB1 ASN 42 -15.741 -6.237 1.805 267 H LYS 43 HN LYS 43 -17.093 -4.669 0.641 268 HA LYS 43 HA LYS 43 -17.236 -2.003 1.900 269 1HB LYS 43 HB2 LYS 43 -17.815 -1.272 -0.178 270 2HB LYS 43 HB1 LYS 43 -18.274 -2.875 -0.739 271 1HG LYS 43 HG2 LYS 43 -20.403 -2.719 0.411 272 2HG LYS 43 HG1 LYS 43 -19.947 -1.168 1.112 273 1HD LYS 43 HD2 LYS 43 -21.028 -0.288 -0.654 274 2HD LYS 43 HD1 LYS 43 -19.562 -0.695 -1.549 275 1HE LYS 43 HE2 LYS 43 -21.653 -1.464 -2.648 276 2HE LYS 43 HE1 LYS 43 -20.516 -2.763 -2.294 277 1HZ LYS 43 HZ1 LYS 43 -21.872 -3.652 -0.724 278 2HZ LYS 43 HZ2 LYS 43 -23.059 -2.954 -1.707 279 3HZ LYS 43 HZ3 LYS 43 -22.564 -2.169 -0.294 280 H VAL 44 HN VAL 44 -19.344 -1.549 2.836 281 HA VAL 44 HA VAL 44 -21.266 -3.634 3.084 282 HB VAL 44 HB VAL 44 -21.197 -3.916 5.453 283 HA PRO 45 HA PRO 45 -24.198 -0.430 3.650 284 1HB PRO 45 HB2 PRO 45 -24.984 -1.812 6.181 285 2HB PRO 45 HB1 PRO 45 -26.001 -1.230 4.856 286 1HG PRO 45 HG2 PRO 45 -25.435 -3.820 5.091 287 2HG PRO 45 HG1 PRO 45 -25.500 -3.043 3.499 288 1HD PRO 45 HD2 PRO 45 -23.142 -3.934 5.076 289 2HD PRO 45 HD1 PRO 45 -23.361 -3.853 3.316 290 H ASN 46 HN ASN 46 -22.684 -1.429 6.702 291 HA ASN 46 HA ASN 46 -22.915 1.215 7.825 292 1HB ASN 46 HB2 ASN 46 -22.765 -1.281 8.918 293 2HB ASN 46 HB1 ASN 46 -21.125 -0.692 9.170 294 H GLY 47 HN GLY 47 -21.202 0.842 5.364 295 1HA GLY 47 HA2 GLY 47 -19.435 2.533 5.085 296 2HA GLY 47 HA1 GLY 47 -18.696 1.845 6.522 297 H PHE 48 HN PHE 48 -17.095 2.011 4.519 298 HA PHE 48 HA PHE 48 -17.079 -0.521 3.058 299 1HB PHE 48 HB2 PHE 48 -15.651 2.085 2.697 300 2HB PHE 48 HB1 PHE 48 -15.057 0.645 1.924 301 HD1 PHE 48 HD1 PHE 48 -18.350 2.343 2.358 302 HD2 PHE 48 HD2 PHE 48 -15.596 0.429 -0.249 303 HE1 PHE 48 HE1 PHE 48 -19.875 2.734 0.462 304 HE2 PHE 48 HE2 PHE 48 -17.111 0.802 -2.147 305 HZ PHE 48 HZ PHE 48 -19.248 1.956 -1.795 306 H SER 49 HN SER 49 -15.558 -2.055 3.438 307 HA SER 49 HA SER 49 -13.540 -1.442 5.483 308 1HB SER 49 HB2 SER 49 -13.839 -4.258 5.174 309 2HB SER 49 HB1 SER 49 -14.153 -3.271 6.591 310 HG SER 49 HG SER 49 -16.259 -2.899 5.772 311 H VAL 50 HN VAL 50 -11.550 -1.460 4.824 312 HA VAL 50 HA VAL 50 -10.849 -3.040 2.440 313 HB VAL 50 HB VAL 50 -9.336 -0.531 2.888 314 H GLU 51 HN GLU 51 -9.132 -4.318 2.655 315 HA GLU 51 HA GLU 51 -7.252 -3.800 4.849 316 1HB GLU 51 HB2 GLU 51 -8.548 -5.606 5.654 317 2HB GLU 51 HB1 GLU 51 -8.594 -6.378 4.084 318 1HG GLU 51 HG2 GLU 51 -6.804 -7.582 4.556 319 2HG GLU 51 HG1 GLU 51 -5.877 -6.137 4.952 320 H ALA 52 HN ALA 52 -5.197 -3.809 4.285 321 HA ALA 52 HA ALA 52 -4.497 -4.762 1.587 322 1HB ALA 52 HB1 ALA 52 -3.005 -2.649 3.116 323 2HB ALA 52 HB2 ALA 52 -4.368 -2.277 2.060 324 3HB ALA 52 HB3 ALA 52 -2.916 -3.025 1.395 325 H SER 53 HN SER 53 -2.295 -5.516 1.283 326 HA SER 53 HA SER 53 -0.771 -6.317 3.589 327 1HB SER 53 HB2 SER 53 -1.701 -8.523 1.763 328 2HB SER 53 HB1 SER 53 -0.933 -8.658 3.344 329 HG SER 53 HG SER 53 -3.548 -8.476 2.738 330 H ILE 54 HN ILE 54 1.159 -5.577 2.933 331 HA ILE 54 HA ILE 54 2.150 -6.460 0.301 332 HB ILE 54 HB ILE 54 2.727 -3.753 1.503 333 H GLY 55 HN GLY 55 4.125 -7.399 0.350 334 1HA GLY 55 HA2 GLY 55 5.450 -7.728 2.858 335 2HA GLY 55 HA1 GLY 55 5.936 -8.420 1.334 336 H THR 56 HN THR 56 7.589 -7.279 3.276 337 HA THR 56 HA THR 56 8.987 -5.366 1.621 338 HB THR 56 HB THR 56 8.910 -3.546 2.936 339 HG1 THR 56 HG1 THR 56 8.439 -4.635 5.408 340 HA PRO 57 HA PRO 57 12.456 -7.761 3.055 341 1HB PRO 57 HB2 PRO 57 14.005 -5.242 2.937 342 2HB PRO 57 HB1 PRO 57 14.303 -6.782 2.129 343 1HG PRO 57 HG2 PRO 57 13.393 -4.622 0.814 344 2HG PRO 57 HG1 PRO 57 12.940 -6.269 0.355 345 1HD PRO 57 HD2 PRO 57 11.358 -4.181 1.759 346 2HD PRO 57 HD1 PRO 57 10.828 -5.474 0.663 347 H LEU 58 HN LEU 58 11.260 -4.877 4.530 348 HA LEU 58 HA LEU 58 12.904 -5.248 6.914 349 1HB LEU 58 HB2 LEU 58 11.148 -3.038 5.906 350 2HB LEU 58 HB1 LEU 58 11.595 -3.109 7.600 351 HG LEU 58 HG LEU 58 14.033 -3.373 6.406 352 H GLY 59 HN GLY 59 9.787 -5.971 5.714 353 1HA GLY 59 HA2 GLY 59 8.913 -7.676 7.552 354 2HA GLY 59 HA1 GLY 59 8.562 -6.162 8.348 355 H ASN 60 HN ASN 60 7.031 -8.487 6.925 356 HA ASN 60 HA ASN 60 5.615 -7.582 4.750 357 1HB ASN 60 HB2 ASN 60 4.405 -9.166 7.019 358 2HB ASN 60 HB1 ASN 60 3.922 -9.177 5.327 359 H LEU 61 HN LEU 61 3.682 -6.456 4.451 360 HA LEU 61 HA LEU 61 2.901 -4.730 6.706 361 1HB LEU 61 HB2 LEU 61 2.581 -4.194 3.754 362 2HB LEU 61 HB1 LEU 61 2.122 -3.111 5.048 363 HG LEU 61 HG LEU 61 4.968 -3.925 4.966 364 H LEU 62 HN LEU 62 0.800 -4.455 7.211 365 HA LEU 62 HA LEU 62 -1.276 -5.665 5.588 366 1HB LEU 62 HB2 LEU 62 -1.068 -6.330 8.519 367 2HB LEU 62 HB1 LEU 62 -2.261 -6.918 7.387 368 HG LEU 62 HG LEU 62 -0.756 -8.701 7.839 369 H ALA 63 HN ALA 63 -3.346 -4.850 6.096 370 HA ALA 63 HA ALA 63 -3.687 -2.903 8.171 371 1HB ALA 63 HB1 ALA 63 -2.822 -1.209 6.966 372 2HB ALA 63 HB2 ALA 63 -4.412 -1.218 6.203 373 3HB ALA 63 HB3 ALA 63 -3.056 -2.038 5.427 374 H SER 64 HN SER 64 -5.857 -1.990 8.199 375 HA SER 64 HA SER 64 -7.890 -2.956 6.468 376 1HB SER 64 HB2 SER 64 -9.011 -4.206 8.536 377 2HB SER 64 HB1 SER 64 -7.943 -5.045 7.413 378 HG SER 64 HG SER 64 -7.594 -5.117 9.871 379 H ALA 65 HN ALA 65 -9.619 -1.622 6.610 380 HA ALA 65 HA ALA 65 -10.250 -0.313 9.119 381 1HB ALA 65 HB1 ALA 65 -8.445 0.977 7.604 382 2HB ALA 65 HB2 ALA 65 -9.605 1.793 8.651 383 3HB ALA 65 HB3 ALA 65 -9.937 1.629 6.927 384 H THR 66 HN THR 66 -12.303 0.502 9.240 385 HA THR 66 HA THR 66 -14.034 0.130 6.883 386 HB THR 66 HB THR 66 -14.844 -0.319 9.759 387 HG1 THR 66 HG1 THR 66 -13.949 -2.184 9.551 388 H SER 67 HN SER 67 -14.843 2.025 6.221 389 HA SER 67 HA SER 67 -15.678 3.959 8.260 390 1HB SER 67 HB2 SER 67 -13.461 4.296 6.417 391 2HB SER 67 HB1 SER 67 -14.678 5.549 6.191 392 HG SER 67 HG SER 67 -14.433 6.169 8.288 393 H ASP 68 HN ASP 68 -16.774 5.909 6.987 394 HA ASP 68 HA ASP 68 -18.806 4.637 5.313 395 1HB ASP 68 HB2 ASP 68 -19.051 6.373 7.412 396 2HB ASP 68 HB1 ASP 68 -19.166 7.469 6.038 397 H ASP 69 HN ASP 69 -16.111 5.309 4.316 398 HA ASP 69 HA ASP 69 -16.976 6.744 1.955 399 1HB ASP 69 HB2 ASP 69 -15.135 7.899 3.970 400 2HB ASP 69 HB1 ASP 69 -14.669 8.093 2.283 401 H MET 70 HN MET 70 -16.410 5.438 0.414 402 HA MET 70 HA MET 70 -14.781 3.326 0.273 403 1HB MET 70 HB2 MET 70 -16.207 3.902 -1.540 404 2HB MET 70 HB1 MET 70 -15.377 5.423 -1.801 405 1HG MET 70 HG2 MET 70 -14.426 4.305 -3.486 406 2HG MET 70 HG1 MET 70 -13.350 3.711 -2.224 407 1HE MET 70 HE1 MET 70 -13.453 1.290 -1.194 408 2HE MET 70 HE2 MET 70 -12.572 1.539 -2.710 409 3HE MET 70 HE3 MET 70 -13.578 0.104 -2.496 410 H TYR 71 HN TYR 71 -13.647 6.356 -1.179 411 HA TYR 71 HA TYR 71 -10.958 5.496 -1.170 412 1HB TYR 71 HB2 TYR 71 -12.372 7.969 -1.983 413 2HB TYR 71 HB1 TYR 71 -10.633 8.076 -1.705 414 HD1 TYR 71 HD1 TYR 71 -11.835 4.851 -2.738 415 HD2 TYR 71 HD2 TYR 71 -10.482 8.615 -4.190 416 HE1 TYR 71 HE1 TYR 71 -11.401 3.828 -4.908 417 HE2 TYR 71 HE2 TYR 71 -10.058 7.604 -6.394 418 HH TYR 71 HH TYR 71 -10.730 5.709 -7.714 419 H LYS 72 HN LYS 72 -12.829 7.119 1.219 420 HA LYS 72 HA LYS 72 -10.579 8.239 2.607 421 1HB LYS 72 HB2 LYS 72 -12.953 9.006 2.864 422 2HB LYS 72 HB1 LYS 72 -13.218 7.530 3.764 423 1HG LYS 72 HG2 LYS 72 -12.752 8.812 5.542 424 2HG LYS 72 HG1 LYS 72 -11.080 8.496 5.072 425 1HD LYS 72 HD2 LYS 72 -10.832 10.584 4.081 426 2HD LYS 72 HD1 LYS 72 -12.573 10.814 3.905 427 1HE LYS 72 HE2 LYS 72 -12.359 10.613 6.595 428 2HE LYS 72 HE1 LYS 72 -10.811 11.356 6.199 429 1HZ LYS 72 HZ1 LYS 72 -12.317 12.914 4.773 430 2HZ LYS 72 HZ2 LYS 72 -12.131 13.187 6.432 431 3HZ LYS 72 HZ3 LYS 72 -13.522 12.419 5.854 432 H ALA 73 HN ALA 73 -12.443 5.268 2.639 433 HA ALA 73 HA ALA 73 -11.297 4.079 4.933 434 1HB ALA 73 HB1 ALA 73 -13.356 3.365 3.414 435 2HB ALA 73 HB2 ALA 73 -12.443 2.173 4.338 436 3HB ALA 73 HB3 ALA 73 -12.121 2.390 2.618 437 H ILE 74 HN ILE 74 -10.629 3.943 1.477 438 HA ILE 74 HA ILE 74 -8.269 2.378 1.615 439 HB ILE 74 HB ILE 74 -9.476 4.249 -0.399 440 H ASN 75 HN ASN 75 -9.079 5.749 1.862 441 HA ASN 75 HA ASN 75 -6.578 6.963 1.907 442 1HB ASN 75 HB2 ASN 75 -9.113 7.800 1.961 443 2HB ASN 75 HB1 ASN 75 -8.787 7.961 3.677 444 H GLU 76 HN GLU 76 -8.532 5.474 4.421 445 HA GLU 76 HA GLU 76 -6.789 6.061 6.591 446 1HB GLU 76 HB2 GLU 76 -9.345 4.956 6.259 447 2HB GLU 76 HB1 GLU 76 -8.384 3.670 6.980 448 1HG GLU 76 HG2 GLU 76 -8.450 6.449 8.108 449 2HG GLU 76 HG1 GLU 76 -9.620 5.211 8.562 450 H VAL 77 HN VAL 77 -7.424 3.051 4.767 451 HA VAL 77 HA VAL 77 -5.587 1.378 5.925 452 HB VAL 77 HB VAL 77 -5.993 1.456 2.943 453 H GLU 78 HN GLU 78 -5.052 3.503 3.123 454 HA GLU 78 HA GLU 78 -2.376 2.950 2.726 455 1HB GLU 78 HB2 GLU 78 -3.650 4.284 1.139 456 2HB GLU 78 HB1 GLU 78 -3.836 5.570 2.321 457 1HG GLU 78 HG2 GLU 78 -1.111 5.250 2.181 458 2HG GLU 78 HG1 GLU 78 -1.632 4.988 0.519 459 H GLU 79 HN GLU 79 -3.917 5.094 5.039 460 HA GLU 79 HA GLU 79 -1.538 6.327 5.965 461 1HB GLU 79 HB2 GLU 79 -4.356 6.276 6.720 462 2HB GLU 79 HB1 GLU 79 -3.299 6.295 8.125 463 1HG GLU 79 HG2 GLU 79 -2.254 8.202 6.366 464 2HG GLU 79 HG1 GLU 79 -4.002 8.425 6.337 465 H LYS 80 HN LYS 80 -3.307 3.410 6.808 466 HA LYS 80 HA LYS 80 -1.799 2.722 9.102 467 1HB LYS 80 HB2 LYS 80 -3.214 0.900 7.141 468 2HB LYS 80 HB1 LYS 80 -2.659 0.441 8.738 469 1HG LYS 80 HG2 LYS 80 -4.261 2.680 9.160 470 2HG LYS 80 HG1 LYS 80 -5.111 1.725 7.944 471 1HD LYS 80 HD2 LYS 80 -5.921 0.637 9.748 472 2HD LYS 80 HD1 LYS 80 -4.382 -0.222 9.664 473 1HE LYS 80 HE2 LYS 80 -4.461 2.329 11.180 474 2HE LYS 80 HE1 LYS 80 -5.253 0.926 11.898 475 1HZ LYS 80 HZ1 LYS 80 -3.298 -0.100 12.261 476 2HZ LYS 80 HZ2 LYS 80 -2.673 1.470 12.208 477 3HZ LYS 80 HZ3 LYS 80 -2.584 0.479 10.840 478 H LEU 81 HN LEU 81 -1.688 1.331 5.834 479 HA LEU 81 HA LEU 81 0.651 -0.106 6.050 480 1HB LEU 81 HB2 LEU 81 -1.010 0.901 3.894 481 2HB LEU 81 HB1 LEU 81 0.682 0.905 3.439 482 HG LEU 81 HG LEU 81 -0.883 -1.178 2.991 483 H GLU 82 HN GLU 82 0.289 3.335 5.133 484 HA GLU 82 HA GLU 82 3.046 3.773 4.667 485 1HB GLU 82 HB2 GLU 82 0.955 5.256 4.132 486 2HB GLU 82 HB1 GLU 82 1.266 5.938 5.720 487 1HG GLU 82 HG2 GLU 82 3.095 7.040 5.036 488 2HG GLU 82 HG1 GLU 82 3.600 5.745 3.950 489 H ARG 83 HN ARG 83 1.004 4.230 7.530 490 HA ARG 83 HA ARG 83 2.909 5.306 9.256 491 1HB ARG 83 HB2 ARG 83 0.340 3.904 9.539 492 2HB ARG 83 HB1 ARG 83 1.412 3.706 10.917 493 1HG ARG 83 HG2 ARG 83 1.656 6.278 10.791 494 2HG ARG 83 HG1 ARG 83 0.177 6.198 9.830 495 1HD ARG 83 HD2 ARG 83 -0.559 6.528 12.030 496 2HD ARG 83 HD1 ARG 83 -0.784 4.805 11.736 497 HE ARG 83 HE ARG 83 1.741 5.171 12.873 498 1HH1 ARG 83 HH11 ARG 83 -1.621 5.502 13.750 499 2HH1 ARG 83 HH12 ARG 83 -1.342 5.190 15.430 500 1HH2 ARG 83 HH21 ARG 83 2.108 4.758 15.083 501 2HH2 ARG 83 HH22 ARG 83 0.774 4.768 16.187 502 H GLN 84 HN GLN 84 2.034 1.898 8.721 503 HA GLN 84 HA GLN 84 3.963 0.791 10.439 504 1HB GLN 84 HB2 GLN 84 3.348 -0.724 7.974 505 2HB GLN 84 HB1 GLN 84 3.333 -1.255 9.643 506 1HG GLN 84 HG2 GLN 84 1.215 0.409 9.634 507 2HG GLN 84 HG1 GLN 84 1.176 -0.171 7.974 508 H LEU 85 HN LEU 85 4.051 1.629 6.998 509 HA LEU 85 HA LEU 85 6.565 0.691 6.301 510 1HB LEU 85 HB2 LEU 85 4.786 2.863 5.379 511 2HB LEU 85 HB1 LEU 85 6.476 3.068 4.969 512 HG LEU 85 HG LEU 85 5.171 0.460 4.349 513 H ASN 86 HN ASN 86 5.689 3.893 7.571 514 HA ASN 86 HA ASN 86 8.273 4.901 7.893 515 1HB ASN 86 HB2 ASN 86 6.010 6.122 8.126 516 2HB ASN 86 HB1 ASN 86 6.005 5.525 9.784 517 H LYS 87 HN LYS 87 6.331 2.751 9.849 518 HA LYS 87 HA LYS 87 7.929 2.780 12.187 519 1HB LYS 87 HB2 LYS 87 5.603 1.446 11.299 520 2HB LYS 87 HB1 LYS 87 6.763 0.185 11.703 521 1HG LYS 87 HG2 LYS 87 6.663 2.273 13.717 522 2HG LYS 87 HG1 LYS 87 5.091 1.513 13.456 523 1HD LYS 87 HD2 LYS 87 5.736 -0.382 14.453 524 2HD LYS 87 HD1 LYS 87 7.257 -0.425 13.561 525 1HE LYS 87 HE2 LYS 87 6.741 1.315 15.967 526 2HE LYS 87 HE1 LYS 87 7.530 -0.261 16.031 527 1HZ LYS 87 HZ1 LYS 87 9.369 0.989 15.811 528 2HZ LYS 87 HZ2 LYS 87 8.556 2.290 15.098 529 3HZ LYS 87 HZ3 LYS 87 8.986 0.947 14.163 530 H LEU 88 HN LEU 88 7.810 0.558 9.403 531 HA LEU 88 HA LEU 88 9.885 -1.124 10.135 532 1HB LEU 88 HB2 LEU 88 9.394 -0.227 7.297 533 2HB LEU 88 HB1 LEU 88 10.062 -1.755 7.832 534 HG LEU 88 HG LEU 88 7.200 -0.843 8.092 535 H GLN 89 HN GLN 89 10.030 1.733 8.044 536 HA GLN 89 HA GLN 89 12.832 1.785 7.786 537 1HB GLN 89 HB2 GLN 89 10.853 4.063 7.595 538 2HB GLN 89 HB1 GLN 89 12.528 4.138 7.061 539 1HG GLN 89 HG2 GLN 89 12.053 3.158 5.131 540 2HG GLN 89 HG1 GLN 89 11.137 1.876 5.915 541 H HIS 90 HN HIS 90 10.721 2.818 10.325 542 HA HIS 90 HA HIS 90 12.643 4.537 11.612 543 1HB HIS 90 HB2 HIS 90 9.903 3.522 12.262 544 2HB HIS 90 HB1 HIS 90 10.891 4.186 13.554 545 HD1 HIS 90 HD1 HIS 90 11.755 6.023 10.630 546 HD2 HIS 90 HD2 HIS 90 8.562 6.097 13.289 547 HE1 HIS 90 HE1 HIS 90 10.683 8.278 10.331 548 HE2 HIS 90 HE2 HIS 90 8.812 8.335 12.017 549 H LYS 91 HN LYS 91 10.979 1.653 12.834 550 HA LYS 91 HA LYS 91 11.594 0.180 14.457 551 1HB LYS 91 HB2 LYS 91 13.339 -1.328 13.717 552 2HB LYS 91 HB1 LYS 91 12.364 -0.828 12.342 553 1HG LYS 91 HG2 LYS 91 14.126 0.855 11.804 554 2HG LYS 91 HG1 LYS 91 15.117 0.139 13.076 555 1HD LYS 91 HD2 LYS 91 14.147 -1.952 11.403 556 2HD LYS 91 HD1 LYS 91 14.829 -0.690 10.375 557 1HE LYS 91 HE2 LYS 91 16.406 -1.414 12.762 558 2HE LYS 91 HE1 LYS 91 16.285 -2.652 11.512 559 1HZ LYS 91 HZ1 LYS 91 16.834 -0.443 10.077 560 2HZ LYS 91 HZ2 LYS 91 17.992 -1.560 10.601 561 3HZ LYS 91 HZ3 LYS 91 17.717 -0.148 11.490 562 H SER 92 HN SER 92 12.425 2.838 15.118 563 HA SER 92 HA SER 92 14.071 2.340 17.313 564 1HB SER 92 HB2 SER 92 15.493 3.127 14.821 565 2HB SER 92 HB1 SER 92 16.006 3.903 16.318 566 HG SER 92 HG SER 92 16.088 1.657 17.163 567 H GLU 93 HN GLU 93 14.002 5.016 14.957 568 HA GLU 93 HA GLU 93 13.407 7.199 15.153 569 1HB GLU 93 HB2 GLU 93 11.261 5.752 15.974 570 2HB GLU 93 HB1 GLU 93 11.543 6.744 17.398 571 1HG GLU 93 HG2 GLU 93 11.717 8.477 15.205 572 2HG GLU 93 HG1 GLU 93 10.323 7.442 14.902 573 H SER 94 HN SER 94 12.638 8.779 17.299 574 HA SER 94 HA SER 94 14.093 8.469 19.660 575 1HB SER 94 HB2 SER 94 16.108 8.590 18.325 576 2HB SER 94 HB1 SER 94 15.539 10.055 17.525 577 HG SER 94 HG SER 94 15.899 11.202 19.332 578 H ARG 95 HN ARG 95 13.486 9.995 21.106 579 HA ARG 95 HA ARG 95 12.839 12.667 20.469 580 1HB ARG 95 HB2 ARG 95 10.400 12.582 20.851 581 2HB ARG 95 HB1 ARG 95 10.880 11.712 19.400 582 1HG ARG 95 HG2 ARG 95 10.815 9.606 20.777 583 2HG ARG 95 HG1 ARG 95 10.059 10.564 22.052 584 1HD ARG 95 HD2 ARG 95 8.689 11.119 19.634 585 2HD ARG 95 HD1 ARG 95 8.858 9.368 19.762 586 HE ARG 95 HE ARG 95 7.165 11.041 21.323 587 1HH1 ARG 95 HH11 ARG 95 9.086 8.129 21.448 588 2HH1 ARG 95 HH12 ARG 95 8.141 7.411 22.710 589 1HH2 ARG 95 HH21 ARG 95 5.922 10.098 22.983 590 2HH2 ARG 95 HH22 ARG 95 6.346 8.529 23.582 591 H ARG 96 HN ARG 96 12.720 13.898 22.286 592 HA ARG 96 HA ARG 96 12.908 14.460 24.481 593 1HB ARG 96 HB2 ARG 96 11.279 11.945 24.884 594 2HB ARG 96 HB1 ARG 96 11.555 13.181 26.104 595 1HG ARG 96 HG2 ARG 96 10.355 13.976 23.498 596 2HG ARG 96 HG1 ARG 96 9.353 13.146 24.691 597 1HD ARG 96 HD2 ARG 96 9.086 15.050 25.799 598 2HD ARG 96 HD1 ARG 96 10.831 15.166 26.035 599 HE ARG 96 HE ARG 96 10.203 16.051 23.449 600 1HH1 ARG 96 HH11 ARG 96 9.784 17.016 26.776 601 2HH1 ARG 96 HH12 ARG 96 9.743 18.709 26.410 602 1HH2 ARG 96 HH21 ARG 96 10.149 18.276 22.966 603 2HH2 ARG 96 HH22 ARG 96 9.950 19.425 24.247 604 H ALA 97 HN ALA 97 14.974 14.338 25.112 605 HA ALA 97 HA ALA 97 15.896 11.805 26.267 606 1HB ALA 97 HB1 ALA 97 17.955 13.347 24.825 607 2HB ALA 97 HB2 ALA 97 16.768 12.512 23.823 608 3HB ALA 97 HB3 ALA 97 17.740 11.603 24.980 609 H ASP 98 HN ASP 98 15.451 12.819 28.289 610 HA ASP 98 HA ASP 98 17.183 15.082 28.986 611 1HB ASP 98 HB2 ASP 98 15.757 15.231 31.035 612 2HB ASP 98 HB1 ASP 98 14.863 15.450 29.533 613 H GLU 99 HN GLU 99 17.777 14.934 31.485 614 HA GLU 99 HA GLU 99 19.045 12.303 31.873 615 1HB GLU 99 HB2 GLU 99 20.594 13.883 33.392 616 2HB GLU 99 HB1 GLU 99 20.922 13.566 31.695 617 1HG GLU 99 HG2 GLU 99 20.146 15.653 31.028 618 2HG GLU 99 HG1 GLU 99 19.258 15.908 32.528 619 H ARG 100 HN ARG 100 17.863 15.149 33.667 620 HA ARG 100 HA ARG 100 16.223 13.716 35.408 621 1HB ARG 100 HB2 ARG 100 18.775 13.133 36.063 622 2HB ARG 100 HB1 ARG 100 18.545 14.580 37.034 623 1HG ARG 100 HG2 ARG 100 16.440 12.496 37.156 624 2HG ARG 100 HG1 ARG 100 17.983 12.162 37.946 625 1HD ARG 100 HD2 ARG 100 17.450 14.725 38.751 626 2HD ARG 100 HD1 ARG 100 15.841 14.005 38.699 627 HE ARG 100 HE ARG 100 17.288 12.163 40.042 628 1HH1 ARG 100 HH11 ARG 100 16.862 15.603 40.446 629 2HH1 ARG 100 HH12 ARG 100 17.091 15.556 42.161 630 1HH2 ARG 100 HH21 ARG 100 17.587 12.099 42.299 631 2HH2 ARG 100 HH22 ARG 100 17.503 13.567 43.213 632 H LEU 101 HN LEU 101 14.967 15.077 36.601 633 HA LEU 101 HA LEU 101 14.008 17.029 37.263 634 1HB LEU 101 HB2 LEU 101 16.772 17.165 38.024 635 2HB LEU 101 HB1 LEU 101 16.212 18.769 37.588 636 HG LEU 101 HG LEU 101 16.006 18.252 40.011 637 H LYS 102 HN LYS 102 14.331 19.624 36.856 638 HA LYS 102 HA LYS 102 14.806 19.973 33.975 639 1HB LYS 102 HB2 LYS 102 12.809 21.491 33.929 640 2HB LYS 102 HB1 LYS 102 12.431 19.792 34.180 641 1HG LYS 102 HG2 LYS 102 12.491 20.436 36.703 642 2HG LYS 102 HG1 LYS 102 12.254 22.073 36.091 643 1HD LYS 102 HD2 LYS 102 10.148 21.629 35.321 644 2HD LYS 102 HD1 LYS 102 10.498 19.923 35.030 645 1HE LYS 102 HE2 LYS 102 10.291 21.107 37.789 646 2HE LYS 102 HE1 LYS 102 8.907 20.432 36.930 647 1HZ LYS 102 HZ1 LYS 102 9.558 18.565 37.973 648 2HZ LYS 102 HZ2 LYS 102 11.158 19.079 38.169 649 3HZ LYS 102 HZ3 LYS 102 10.650 18.442 36.687 650 H ASP 103 HN ASP 103 16.768 21.007 34.372 651 HA ASP 103 HA ASP 103 16.562 23.614 35.729 652 1HB ASP 103 HB2 ASP 103 19.032 21.897 35.402 653 2HB ASP 103 HB1 ASP 103 18.941 23.436 36.253 654 H SER 104 HN SER 104 17.683 25.386 34.810 655 HA SER 104 HA SER 104 18.060 25.119 31.912 656 1HB SER 104 HB2 SER 104 17.134 27.311 33.693 657 2HB SER 104 HB1 SER 104 18.051 27.779 32.262 658 HG SER 104 HG SER 104 15.813 26.043 32.186 659 H PHE 105 HN PHE 105 20.161 24.460 31.708 660 HA PHE 105 HA PHE 105 22.236 26.089 33.000 661 1HB PHE 105 HB2 PHE 105 22.345 23.349 31.730 662 2HB PHE 105 HB1 PHE 105 23.767 24.218 32.295 663 HD1 PHE 105 HD1 PHE 105 21.275 21.899 33.159 664 HD2 PHE 105 HD2 PHE 105 23.667 25.022 34.783 665 HE1 PHE 105 HE1 PHE 105 20.926 20.987 35.418 666 HE2 PHE 105 HE2 PHE 105 23.323 24.115 37.045 667 HZ PHE 105 HZ PHE 105 21.951 22.096 37.364 668 H GLU 106 HN GLU 106 21.403 24.655 29.853 669 HA GLU 106 HA GLU 106 22.782 26.904 28.562 670 1HB GLU 106 HB2 GLU 106 23.698 24.246 28.544 671 2HB GLU 106 HB1 GLU 106 22.989 24.511 26.957 672 1HG GLU 106 HG2 GLU 106 24.598 25.950 26.327 673 2HG GLU 106 HG1 GLU 106 24.752 26.654 27.936 674 H ASN 107 HN ASN 107 22.247 26.759 26.063 675 HA ASN 107 HA ASN 107 19.327 26.627 25.911 676 1HB ASN 107 HB2 ASN 107 19.682 27.937 23.773 677 2HB ASN 107 HB1 ASN 107 20.168 28.757 25.253 Start of MODEL 7 1 1H MET 1 HT1 MET 1 6.540 -3.280 -8.152 2 2H MET 1 HT2 MET 1 6.622 -4.273 -9.550 3 3H MET 1 HT3 MET 1 7.943 -4.215 -8.456 4 HA MET 1 HA MET 1 6.907 -6.181 -7.984 5 1HB MET 1 HB2 MET 1 5.940 -3.998 -6.130 6 2HB MET 1 HB1 MET 1 5.855 -5.712 -5.744 7 1HG MET 1 HG2 MET 1 8.356 -4.123 -6.266 8 2HG MET 1 HG1 MET 1 7.781 -4.691 -4.700 9 1HE MET 1 HE1 MET 1 10.424 -6.834 -7.602 10 2HE MET 1 HE2 MET 1 10.700 -5.354 -6.684 11 3HE MET 1 HE3 MET 1 9.490 -5.383 -7.968 12 H THR 2 HN THR 2 4.676 -3.658 -8.809 13 HA THR 2 HA THR 2 2.530 -3.675 -9.551 14 HB THR 2 HB THR 2 1.815 -5.463 -10.837 15 HG1 THR 2 HG1 THR 2 3.058 -7.089 -8.903 16 H LEU 3 HN LEU 3 0.871 -3.283 -8.266 17 HA LEU 3 HA LEU 3 0.540 -4.773 -5.804 18 1HB LEU 3 HB2 LEU 3 0.330 -2.421 -5.601 19 2HB LEU 3 HB1 LEU 3 -0.788 -2.329 -6.948 20 HG LEU 3 HG LEU 3 -1.566 -3.853 -4.491 21 H ASN 4 HN ASN 4 -0.924 -6.319 -5.435 22 HA ASN 4 HA ASN 4 -2.813 -6.936 -7.592 23 1HB ASN 4 HB2 ASN 4 -2.175 -8.763 -5.293 24 2HB ASN 4 HB1 ASN 4 -2.811 -9.177 -6.880 25 H ILE 5 HN ILE 5 -4.966 -7.567 -7.094 26 HA ILE 5 HA ILE 5 -5.973 -6.593 -4.507 27 HB ILE 5 HB ILE 5 -7.461 -6.161 -7.094 28 H THR 6 HN THR 6 -8.195 -7.415 -4.012 29 HA THR 6 HA THR 6 -8.839 -9.929 -5.368 30 HB THR 6 HB THR 6 -8.549 -9.665 -2.371 31 HG1 THR 6 HG1 THR 6 -6.562 -10.151 -2.779 32 H SER 7 HN SER 7 -9.929 -8.113 -2.488 33 HA SER 7 HA SER 7 -11.990 -7.455 -1.796 34 1HB SER 7 HB2 SER 7 -13.506 -6.982 -4.050 35 2HB SER 7 HB1 SER 7 -12.453 -5.828 -3.272 36 HG SER 7 HG SER 7 -10.779 -6.542 -4.684 37 H LYS 8 HN LYS 8 -13.045 -9.069 -0.820 38 HA LYS 8 HA LYS 8 -13.800 -11.490 -1.980 39 1HB LYS 8 HB2 LYS 8 -14.907 -11.983 0.043 40 2HB LYS 8 HB1 LYS 8 -13.555 -10.951 0.483 41 1HG LYS 8 HG2 LYS 8 -15.361 -9.052 0.244 42 2HG LYS 8 HG1 LYS 8 -16.471 -10.390 0.540 43 1HD LYS 8 HD2 LYS 8 -14.182 -10.357 2.353 44 2HD LYS 8 HD1 LYS 8 -15.190 -8.914 2.471 45 1HE LYS 8 HE2 LYS 8 -17.172 -10.373 2.738 46 2HE LYS 8 HE1 LYS 8 -16.105 -11.776 2.727 47 1HZ LYS 8 HZ1 LYS 8 -16.874 -10.519 4.944 48 2HZ LYS 8 HZ2 LYS 8 -15.426 -9.700 4.636 49 3HZ LYS 8 HZ3 LYS 8 -15.423 -11.382 4.817 50 H GLN 9 HN GLN 9 -15.633 -8.485 -1.643 51 HA GLN 9 HA GLN 9 -17.839 -9.777 -3.099 52 1HB GLN 9 HB2 GLN 9 -19.092 -7.628 -2.235 53 2HB GLN 9 HB1 GLN 9 -18.886 -9.035 -1.203 54 1HG GLN 9 HG2 GLN 9 -16.818 -7.894 -0.295 55 2HG GLN 9 HG1 GLN 9 -17.367 -6.449 -1.138 56 H MET 10 HN MET 10 -17.711 -6.301 -2.862 57 HA MET 10 HA MET 10 -18.163 -5.751 -5.478 58 1HB MET 10 HB2 MET 10 -17.408 -3.521 -5.082 59 2HB MET 10 HB1 MET 10 -18.148 -4.109 -3.604 60 1HG MET 10 HG2 MET 10 -15.578 -4.779 -3.161 61 2HG MET 10 HG1 MET 10 -15.377 -3.339 -4.154 62 1HE MET 10 HE1 MET 10 -13.993 -2.955 -2.044 63 2HE MET 10 HE2 MET 10 -14.600 -2.099 -0.629 64 3HE MET 10 HE3 MET 10 -14.559 -1.292 -2.197 65 H ASP 11 HN ASP 11 -17.118 -6.529 -7.184 66 HA ASP 11 HA ASP 11 -14.484 -7.418 -7.221 67 1HB ASP 11 HB2 ASP 11 -16.009 -6.420 -9.630 68 2HB ASP 11 HB1 ASP 11 -14.713 -7.613 -9.605 69 H ILE 12 HN ILE 12 -13.057 -6.444 -9.225 70 HA ILE 12 HA ILE 12 -12.360 -3.760 -8.286 71 HB ILE 12 HB ILE 12 -10.479 -4.668 -10.230 72 H THR 13 HN THR 13 -11.963 -2.060 -9.720 73 HA THR 13 HA THR 13 -12.749 -2.341 -12.498 74 HB THR 13 HB THR 13 -14.117 -0.053 -11.792 75 HG1 THR 13 HG1 THR 13 -15.011 -0.295 -9.897 76 HA PRO 14 HA PRO 14 -9.932 0.853 -13.679 77 1HB PRO 14 HB2 PRO 14 -12.183 2.832 -13.705 78 2HB PRO 14 HB1 PRO 14 -10.883 2.599 -14.881 79 1HG PRO 14 HG2 PRO 14 -13.316 1.627 -15.349 80 2HG PRO 14 HG1 PRO 14 -11.867 0.709 -15.798 81 1HD PRO 14 HD2 PRO 14 -13.796 0.235 -13.603 82 2HD PRO 14 HD1 PRO 14 -12.765 -0.919 -14.467 83 H ALA 15 HN ALA 15 -12.369 2.523 -11.648 84 HA ALA 15 HA ALA 15 -10.754 4.375 -10.452 85 1HB ALA 15 HB1 ALA 15 -13.105 4.446 -10.076 86 2HB ALA 15 HB2 ALA 15 -12.330 4.270 -8.502 87 3HB ALA 15 HB3 ALA 15 -13.087 2.876 -9.273 88 H ILE 16 HN ILE 16 -11.758 1.684 -8.368 89 HA ILE 16 HA ILE 16 -9.748 1.797 -6.543 90 HB ILE 16 HB ILE 16 -9.979 -0.855 -6.563 91 H ARG 17 HN ARG 17 -9.678 -0.449 -9.327 92 HA ARG 17 HA ARG 17 -7.191 -1.496 -9.161 93 1HB ARG 17 HB2 ARG 17 -8.877 -1.800 -11.032 94 2HB ARG 17 HB1 ARG 17 -8.231 -0.334 -11.750 95 1HG ARG 17 HG2 ARG 17 -6.376 -1.355 -12.497 96 2HG ARG 17 HG1 ARG 17 -6.229 -2.372 -11.064 97 1HD ARG 17 HD2 ARG 17 -8.530 -3.286 -12.312 98 2HD ARG 17 HD1 ARG 17 -7.422 -2.954 -13.642 99 HE ARG 17 HE ARG 17 -7.205 -5.045 -11.687 100 1HH1 ARG 17 HH11 ARG 17 -5.436 -3.032 -13.922 101 2HH1 ARG 17 HH12 ARG 17 -4.123 -4.149 -14.083 102 1HH2 ARG 17 HH21 ARG 17 -5.476 -6.515 -11.895 103 2HH2 ARG 17 HH22 ARG 17 -4.145 -6.125 -12.932 104 H GLU 18 HN GLU 18 -7.891 1.584 -10.808 105 HA GLU 18 HA GLU 18 -5.206 2.353 -11.184 106 1HB GLU 18 HB2 GLU 18 -7.509 3.270 -12.163 107 2HB GLU 18 HB1 GLU 18 -7.322 4.433 -10.859 108 1HG GLU 18 HG2 GLU 18 -6.199 5.584 -12.426 109 2HG GLU 18 HG1 GLU 18 -4.863 4.548 -11.928 110 H HIS 19 HN HIS 19 -7.535 2.987 -8.605 111 HA HIS 19 HA HIS 19 -6.025 4.852 -7.143 112 1HB HIS 19 HB2 HIS 19 -8.510 4.085 -6.913 113 2HB HIS 19 HB1 HIS 19 -7.854 2.840 -5.859 114 HD1 HIS 19 HD1 HIS 19 -6.617 6.410 -5.883 115 HD2 HIS 19 HD2 HIS 19 -8.877 3.811 -3.588 116 HE1 HIS 19 HE1 HIS 19 -7.026 7.627 -3.715 117 HE2 HIS 19 HE2 HIS 19 -8.494 6.075 -2.377 118 H LEU 20 HN LEU 20 -6.629 1.460 -6.298 119 HA LEU 20 HA LEU 20 -4.707 1.060 -4.400 120 1HB LEU 20 HB2 LEU 20 -5.224 -1.037 -6.477 121 2HB LEU 20 HB1 LEU 20 -4.943 -1.234 -4.758 122 HG LEU 20 HG LEU 20 -7.439 -0.043 -5.963 123 H GLU 21 HN GLU 21 -4.304 0.518 -7.910 124 HA GLU 21 HA GLU 21 -1.590 -0.148 -7.865 125 1HB GLU 21 HB2 GLU 21 -3.210 1.251 -10.005 126 2HB GLU 21 HB1 GLU 21 -1.578 0.645 -10.247 127 1HG GLU 21 HG2 GLU 21 -2.240 -1.562 -10.159 128 2HG GLU 21 HG1 GLU 21 -3.715 -1.192 -9.269 129 H GLU 22 HN GLU 22 -3.128 3.014 -8.437 130 HA GLU 22 HA GLU 22 -0.826 4.559 -8.646 131 1HB GLU 22 HB2 GLU 22 -3.069 5.435 -9.129 132 2HB GLU 22 HB1 GLU 22 -3.483 5.340 -7.423 133 1HG GLU 22 HG2 GLU 22 -1.471 6.907 -7.075 134 2HG GLU 22 HG1 GLU 22 -1.611 7.215 -8.805 135 H ARG 23 HN ARG 23 -2.613 3.522 -5.776 136 HA ARG 23 HA ARG 23 -1.175 4.971 -3.859 137 1HB ARG 23 HB2 ARG 23 -2.669 2.362 -3.725 138 2HB ARG 23 HB1 ARG 23 -1.894 3.067 -2.313 139 1HG ARG 23 HG2 ARG 23 -4.152 4.206 -3.934 140 2HG ARG 23 HG1 ARG 23 -4.167 3.693 -2.250 141 1HD ARG 23 HD2 ARG 23 -2.471 5.495 -1.797 142 2HD ARG 23 HD1 ARG 23 -2.771 6.078 -3.433 143 HE ARG 23 HE ARG 23 -5.248 5.957 -2.330 144 1HH1 ARG 23 HH11 ARG 23 -2.253 7.474 -1.378 145 2HH1 ARG 23 HH12 ARG 23 -3.032 8.779 -0.547 146 1HH2 ARG 23 HH21 ARG 23 -6.275 7.672 -1.241 147 2HH2 ARG 23 HH22 ARG 23 -5.316 8.892 -0.471 148 H LEU 24 HN LEU 24 -0.663 1.742 -5.236 149 HA LEU 24 HA LEU 24 1.606 1.080 -3.693 150 1HB LEU 24 HB2 LEU 24 0.357 -0.594 -4.955 151 2HB LEU 24 HB1 LEU 24 0.813 0.172 -6.463 152 HG LEU 24 HG LEU 24 3.261 -0.314 -5.517 153 H ALA 25 HN ALA 25 1.320 2.368 -7.000 154 HA ALA 25 HA ALA 25 4.030 2.709 -7.536 155 1HB ALA 25 HB1 ALA 25 1.767 3.141 -8.938 156 2HB ALA 25 HB2 ALA 25 3.352 3.738 -9.431 157 3HB ALA 25 HB3 ALA 25 2.233 4.803 -8.579 158 H LYS 26 HN LYS 26 1.798 4.654 -5.684 159 HA LYS 26 HA LYS 26 3.537 6.916 -5.430 160 1HB LYS 26 HB2 LYS 26 0.982 6.885 -5.189 161 2HB LYS 26 HB1 LYS 26 1.255 6.222 -3.585 162 1HG LYS 26 HG2 LYS 26 2.644 8.741 -4.361 163 2HG LYS 26 HG1 LYS 26 0.932 8.791 -3.938 164 1HD LYS 26 HD2 LYS 26 1.431 7.738 -1.787 165 2HD LYS 26 HD1 LYS 26 3.143 7.677 -2.212 166 1HE LYS 26 HE2 LYS 26 3.140 9.605 -1.000 167 2HE LYS 26 HE1 LYS 26 2.761 10.271 -2.588 168 1HZ LYS 26 HZ1 LYS 26 1.105 10.079 -0.218 169 2HZ LYS 26 HZ2 LYS 26 0.322 9.695 -1.667 170 3HZ LYS 26 HZ3 LYS 26 1.063 11.204 -1.483 171 H LEU 27 HN LEU 27 2.796 4.036 -3.543 172 HA LEU 27 HA LEU 27 4.418 4.823 -1.313 173 1HB LEU 27 HB2 LEU 27 2.659 2.604 -1.987 174 2HB LEU 27 HB1 LEU 27 4.106 2.066 -1.154 175 HG LEU 27 HG LEU 27 2.037 4.019 -0.156 176 H GLY 28 HN GLY 28 5.108 3.627 -4.392 177 1HA GLY 28 HA2 GLY 28 7.256 1.884 -3.899 178 2HA GLY 28 HA1 GLY 28 7.036 2.838 -5.359 179 H LYS 29 HN LYS 29 7.108 5.397 -4.083 180 HA LYS 29 HA LYS 29 9.836 5.968 -4.184 181 1HB LYS 29 HB2 LYS 29 8.206 7.703 -4.541 182 2HB LYS 29 HB1 LYS 29 7.545 7.486 -2.929 183 1HG LYS 29 HG2 LYS 29 9.947 8.135 -2.155 184 2HG LYS 29 HG1 LYS 29 10.072 8.817 -3.775 185 1HD LYS 29 HD2 LYS 29 9.109 10.644 -2.925 186 2HD LYS 29 HD1 LYS 29 7.613 9.709 -2.899 187 1HE LYS 29 HE2 LYS 29 7.669 9.432 -0.652 188 2HE LYS 29 HE1 LYS 29 9.428 9.316 -0.605 189 1HZ LYS 29 HZ1 LYS 29 9.229 11.338 0.329 190 2HZ LYS 29 HZ2 LYS 29 7.718 11.649 -0.361 191 3HZ LYS 29 HZ3 LYS 29 9.124 11.870 -1.274 192 H TRP 30 HN TRP 30 7.857 4.868 -1.564 193 HA TRP 30 HA TRP 30 9.529 5.646 0.574 194 1HB TRP 30 HB2 TRP 30 7.336 3.612 0.293 195 2HB TRP 30 HB1 TRP 30 8.231 3.825 1.793 196 HD1 TRP 30 HD1 TRP 30 5.891 5.828 -0.548 197 HE1 TRP 30 HE1 TRP 30 4.750 7.657 0.865 198 HE3 TRP 30 HE3 TRP 30 8.371 5.102 3.833 199 HZ2 TRP 30 HZ2 TRP 30 4.900 8.656 3.519 200 HZ3 TRP 30 HZ3 TRP 30 7.837 6.532 5.750 201 HH2 TRP 30 HH2 TRP 30 6.137 8.275 5.599 202 H GLN 31 HN GLN 31 11.602 5.023 0.496 203 HA GLN 31 HA GLN 31 12.957 3.068 -0.627 204 1HB GLN 31 HB2 GLN 31 14.438 2.939 1.426 205 2HB GLN 31 HB1 GLN 31 14.162 4.539 0.759 206 1HG GLN 31 HG2 GLN 31 12.460 3.524 2.996 207 2HG GLN 31 HG1 GLN 31 14.061 4.184 3.317 208 H THR 32 HN THR 32 11.198 1.425 -0.832 209 HA THR 32 HA THR 32 11.768 -0.792 0.918 210 HB THR 32 HB THR 32 9.082 0.557 0.757 211 HG1 THR 32 HG1 THR 32 9.369 -0.305 3.101 212 H GLN 33 HN GLN 33 10.718 -2.792 0.067 213 HA GLN 33 HA GLN 33 10.164 -2.655 -2.806 214 1HB GLN 33 HB2 GLN 33 11.363 -4.998 -2.781 215 2HB GLN 33 HB1 GLN 33 12.285 -3.517 -2.974 216 1HG GLN 33 HG2 GLN 33 11.855 -4.631 -0.248 217 2HG GLN 33 HG1 GLN 33 13.067 -5.355 -1.301 218 H LEU 34 HN LEU 34 8.026 -2.944 -2.549 219 HA LEU 34 HA LEU 34 6.728 -4.521 -0.736 220 1HB LEU 34 HB2 LEU 34 5.766 -4.137 -3.563 221 2HB LEU 34 HB1 LEU 34 4.795 -4.373 -2.126 222 HG LEU 34 HG LEU 34 4.511 -2.137 -2.302 223 H ILE 35 HN ILE 35 7.663 -6.486 -0.388 224 HA ILE 35 HA ILE 35 8.450 -8.359 -2.285 225 HB ILE 35 HB ILE 35 7.513 -8.704 0.561 226 H SER 36 HN SER 36 5.292 -7.703 -0.907 227 HA SER 36 HA SER 36 3.971 -9.057 -3.041 228 1HB SER 36 HB2 SER 36 4.296 -11.093 -1.900 229 2HB SER 36 HB1 SER 36 4.068 -10.348 -0.318 230 HG SER 36 HG SER 36 2.264 -11.639 -1.176 231 HA PRO 37 HA PRO 37 1.474 -5.747 -1.224 232 1HB PRO 37 HB2 PRO 37 1.200 -4.310 -3.445 233 2HB PRO 37 HB1 PRO 37 2.726 -4.321 -2.550 234 1HG PRO 37 HG2 PRO 37 2.002 -5.753 -5.067 235 2HG PRO 37 HG1 PRO 37 3.533 -4.998 -4.610 236 1HD PRO 37 HD2 PRO 37 2.913 -7.710 -4.445 237 2HD PRO 37 HD1 PRO 37 4.276 -6.898 -3.654 238 H HIS 38 HN HIS 38 -0.538 -6.430 -0.832 239 HA HIS 38 HA HIS 38 -2.280 -7.049 -3.126 240 1HB HIS 38 HB2 HIS 38 -1.761 -8.609 -0.746 241 2HB HIS 38 HB1 HIS 38 -3.461 -8.227 -0.890 242 HD1 HIS 38 HD1 HIS 38 -1.189 -10.757 -1.783 243 HD2 HIS 38 HD2 HIS 38 -4.333 -8.883 -3.743 244 HE1 HIS 38 HE1 HIS 38 -1.894 -12.349 -3.598 245 HE2 HIS 38 HE2 HIS 38 -3.734 -11.151 -4.833 246 H PHE 39 HN PHE 39 -4.641 -6.818 -2.453 247 HA PHE 39 HA PHE 39 -5.116 -4.816 -0.438 248 1HB PHE 39 HB2 PHE 39 -4.936 -4.122 -3.253 249 2HB PHE 39 HB1 PHE 39 -6.486 -3.699 -2.539 250 HD1 PHE 39 HD1 PHE 39 -6.737 -1.821 -1.200 251 HD2 PHE 39 HD2 PHE 39 -2.838 -3.280 -2.077 252 HE1 PHE 39 HE1 PHE 39 -5.759 0.190 -0.174 253 HE2 PHE 39 HE2 PHE 39 -1.852 -1.272 -1.050 254 HZ PHE 39 HZ PHE 39 -3.316 0.465 -0.096 255 H VAL 40 HN VAL 40 -6.511 -6.109 0.636 256 HA VAL 40 HA VAL 40 -8.708 -7.369 -0.779 257 HB VAL 40 HB VAL 40 -7.925 -7.403 2.141 258 H LEU 41 HN LEU 41 -9.901 -5.588 -1.436 259 HA LEU 41 HA LEU 41 -10.930 -3.767 0.603 260 1HB LEU 41 HB2 LEU 41 -11.629 -2.361 -1.189 261 2HB LEU 41 HB1 LEU 41 -9.969 -2.833 -1.471 262 HG LEU 41 HG LEU 41 -12.235 -4.264 -2.808 263 H ASN 42 HN ASN 42 -13.084 -3.498 1.061 264 HA ASN 42 HA ASN 42 -15.036 -4.998 -0.440 265 1HB ASN 42 HB2 ASN 42 -14.877 -5.486 2.528 266 2HB ASN 42 HB1 ASN 42 -15.888 -6.314 1.351 267 H LYS 43 HN LYS 43 -17.263 -4.672 0.436 268 HA LYS 43 HA LYS 43 -17.546 -1.962 1.586 269 1HB LYS 43 HB2 LYS 43 -18.400 -1.490 -0.478 270 2HB LYS 43 HB1 LYS 43 -18.724 -3.177 -0.851 271 1HG LYS 43 HG2 LYS 43 -20.739 -3.086 0.570 272 2HG LYS 43 HG1 LYS 43 -20.423 -1.384 0.892 273 1HD LYS 43 HD2 LYS 43 -20.394 -1.236 -1.745 274 2HD LYS 43 HD1 LYS 43 -21.364 -2.704 -1.612 275 1HE LYS 43 HE2 LYS 43 -22.135 -0.454 0.142 276 2HE LYS 43 HE1 LYS 43 -22.406 -0.227 -1.586 277 1HZ LYS 43 HZ1 LYS 43 -24.232 -1.309 -0.128 278 2HZ LYS 43 HZ2 LYS 43 -23.301 -2.712 -0.292 279 3HZ LYS 43 HZ3 LYS 43 -23.914 -1.940 -1.667 280 H VAL 44 HN VAL 44 -19.771 -1.645 2.522 281 HA VAL 44 HA VAL 44 -21.313 -3.894 3.264 282 HB VAL 44 HB VAL 44 -20.885 -3.352 5.779 283 HA PRO 45 HA PRO 45 -24.539 -0.996 3.904 284 1HB PRO 45 HB2 PRO 45 -24.939 -2.166 6.617 285 2HB PRO 45 HB1 PRO 45 -26.112 -1.905 5.320 286 1HG PRO 45 HG2 PRO 45 -25.172 -4.342 5.821 287 2HG PRO 45 HG1 PRO 45 -25.445 -3.798 4.155 288 1HD PRO 45 HD2 PRO 45 -22.885 -4.103 5.655 289 2HD PRO 45 HD1 PRO 45 -23.226 -4.370 3.934 290 H ASN 46 HN ASN 46 -22.538 -1.486 6.794 291 HA ASN 46 HA ASN 46 -23.079 1.159 7.792 292 1HB ASN 46 HB2 ASN 46 -21.510 0.572 9.585 293 2HB ASN 46 HB1 ASN 46 -22.706 -0.697 9.340 294 H GLY 47 HN GLY 47 -21.234 0.239 5.254 295 1HA GLY 47 HA2 GLY 47 -20.024 2.396 4.490 296 2HA GLY 47 HA1 GLY 47 -19.004 2.014 5.867 297 H PHE 48 HN PHE 48 -17.335 1.932 4.278 298 HA PHE 48 HA PHE 48 -17.279 -0.527 2.693 299 1HB PHE 48 HB2 PHE 48 -15.878 2.094 2.408 300 2HB PHE 48 HB1 PHE 48 -15.191 0.668 1.695 301 HD1 PHE 48 HD1 PHE 48 -17.975 3.037 1.576 302 HD2 PHE 48 HD2 PHE 48 -16.161 -0.360 -0.220 303 HE1 PHE 48 HE1 PHE 48 -19.367 3.357 -0.429 304 HE2 PHE 48 HE2 PHE 48 -17.551 -0.058 -2.221 305 HZ PHE 48 HZ PHE 48 -19.147 1.804 -2.333 306 H SER 49 HN SER 49 -16.106 -2.156 3.469 307 HA SER 49 HA SER 49 -14.075 -1.572 5.491 308 1HB SER 49 HB2 SER 49 -14.340 -4.373 5.085 309 2HB SER 49 HB1 SER 49 -14.778 -3.427 6.500 310 HG SER 49 HG SER 49 -16.385 -4.603 4.694 311 H VAL 50 HN VAL 50 -12.087 -1.517 4.906 312 HA VAL 50 HA VAL 50 -11.228 -3.009 2.518 313 HB VAL 50 HB VAL 50 -11.553 -0.613 2.018 314 H GLU 51 HN GLU 51 -9.116 -3.789 2.512 315 HA GLU 51 HA GLU 51 -7.380 -3.280 4.777 316 1HB GLU 51 HB2 GLU 51 -8.590 -5.052 5.753 317 2HB GLU 51 HB1 GLU 51 -8.666 -5.943 4.247 318 1HG GLU 51 HG2 GLU 51 -6.823 -7.060 4.741 319 2HG GLU 51 HG1 GLU 51 -5.929 -5.566 5.015 320 H ALA 52 HN ALA 52 -5.291 -3.375 4.222 321 HA ALA 52 HA ALA 52 -4.641 -4.494 1.573 322 1HB ALA 52 HB1 ALA 52 -4.512 -1.994 1.786 323 2HB ALA 52 HB2 ALA 52 -3.024 -2.780 1.256 324 3HB ALA 52 HB3 ALA 52 -3.186 -2.231 2.924 325 H SER 53 HN SER 53 -2.468 -5.344 1.312 326 HA SER 53 HA SER 53 -0.989 -5.964 3.729 327 1HB SER 53 HB2 SER 53 -1.019 -8.376 3.373 328 2HB SER 53 HB1 SER 53 -2.665 -7.778 3.577 329 HG SER 53 HG SER 53 -1.366 -8.623 1.220 330 H ILE 54 HN ILE 54 0.951 -5.254 3.153 331 HA ILE 54 HA ILE 54 2.063 -6.169 0.579 332 HB ILE 54 HB ILE 54 2.797 -3.576 1.932 333 H GLY 55 HN GLY 55 4.147 -6.973 0.610 334 1HA GLY 55 HA2 GLY 55 5.249 -7.489 3.255 335 2HA GLY 55 HA1 GLY 55 5.665 -8.342 1.796 336 H THR 56 HN THR 56 7.255 -7.022 3.839 337 HA THR 56 HA THR 56 8.924 -5.451 2.033 338 HB THR 56 HB THR 56 8.879 -3.548 3.193 339 HG1 THR 56 HG1 THR 56 8.652 -4.630 5.750 340 HA PRO 57 HA PRO 57 12.128 -8.154 3.574 341 1HB PRO 57 HB2 PRO 57 13.872 -5.763 3.296 342 2HB PRO 57 HB1 PRO 57 14.086 -7.391 2.645 343 1HG PRO 57 HG2 PRO 57 13.340 -5.345 1.091 344 2HG PRO 57 HG1 PRO 57 12.732 -6.985 0.826 345 1HD PRO 57 HD2 PRO 57 11.365 -4.613 1.985 346 2HD PRO 57 HD1 PRO 57 10.706 -5.965 1.039 347 H LEU 58 HN LEU 58 11.354 -5.013 4.857 348 HA LEU 58 HA LEU 58 12.948 -5.406 7.254 349 1HB LEU 58 HB2 LEU 58 11.335 -3.172 6.110 350 2HB LEU 58 HB1 LEU 58 11.640 -3.185 7.837 351 HG LEU 58 HG LEU 58 14.153 -3.594 6.881 352 H GLY 59 HN GLY 59 9.834 -6.130 6.142 353 1HA GLY 59 HA2 GLY 59 8.889 -7.700 8.027 354 2HA GLY 59 HA1 GLY 59 8.620 -6.151 8.794 355 H ASN 60 HN ASN 60 6.951 -8.426 7.424 356 HA ASN 60 HA ASN 60 5.583 -7.539 5.234 357 1HB ASN 60 HB2 ASN 60 4.282 -8.854 7.627 358 2HB ASN 60 HB1 ASN 60 3.722 -8.894 5.961 359 H LEU 61 HN LEU 61 3.289 -6.684 5.174 360 HA LEU 61 HA LEU 61 2.737 -4.713 7.256 361 1HB LEU 61 HB2 LEU 61 3.819 -4.090 4.677 362 2HB LEU 61 HB1 LEU 61 2.209 -3.416 4.805 363 HG LEU 61 HG LEU 61 3.150 -2.550 7.132 364 H LEU 62 HN LEU 62 0.642 -4.255 7.544 365 HA LEU 62 HA LEU 62 -1.352 -5.175 5.637 366 1HB LEU 62 HB2 LEU 62 -1.579 -5.918 8.548 367 2HB LEU 62 HB1 LEU 62 -2.619 -6.417 7.234 368 HG LEU 62 HG LEU 62 -1.296 -8.289 7.882 369 H ALA 63 HN ALA 63 -3.415 -4.227 6.003 370 HA ALA 63 HA ALA 63 -3.703 -2.208 8.050 371 1HB ALA 63 HB1 ALA 63 -2.744 -0.657 6.694 372 2HB ALA 63 HB2 ALA 63 -4.386 -0.583 6.057 373 3HB ALA 63 HB3 ALA 63 -3.156 -1.528 5.216 374 H SER 64 HN SER 64 -5.887 -1.330 8.129 375 HA SER 64 HA SER 64 -7.904 -2.388 6.403 376 1HB SER 64 HB2 SER 64 -9.013 -3.452 8.621 377 2HB SER 64 HB1 SER 64 -8.039 -4.385 7.483 378 HG SER 64 HG SER 64 -7.031 -3.089 9.801 379 H ALA 65 HN ALA 65 -9.694 -1.153 6.444 380 HA ALA 65 HA ALA 65 -10.358 0.418 8.791 381 1HB ALA 65 HB1 ALA 65 -10.216 2.064 6.350 382 2HB ALA 65 HB2 ALA 65 -8.670 1.603 7.064 383 3HB ALA 65 HB3 ALA 65 -9.859 2.481 8.027 384 H THR 66 HN THR 66 -12.484 1.062 8.864 385 HA THR 66 HA THR 66 -14.179 0.285 6.583 386 HB THR 66 HB THR 66 -14.792 -0.043 9.527 387 HG1 THR 66 HG1 THR 66 -13.723 -1.817 9.143 388 H SER 67 HN SER 67 -15.141 2.035 5.736 389 HA SER 67 HA SER 67 -16.425 3.947 7.482 390 1HB SER 67 HB2 SER 67 -13.833 4.491 6.324 391 2HB SER 67 HB1 SER 67 -15.033 5.625 5.719 392 HG SER 67 HG SER 67 -14.307 6.499 7.590 393 H ASP 68 HN ASP 68 -17.874 5.358 6.377 394 HA ASP 68 HA ASP 68 -19.107 4.150 4.115 395 1HB ASP 68 HB2 ASP 68 -20.019 5.761 6.075 396 2HB ASP 68 HB1 ASP 68 -19.797 6.951 4.796 397 H ASP 69 HN ASP 69 -16.379 6.023 4.319 398 HA ASP 69 HA ASP 69 -16.828 7.214 1.671 399 1HB ASP 69 HB2 ASP 69 -16.322 8.796 3.517 400 2HB ASP 69 HB1 ASP 69 -14.777 7.990 3.749 401 H MET 70 HN MET 70 -16.267 5.565 0.381 402 HA MET 70 HA MET 70 -14.470 3.608 0.471 403 1HB MET 70 HB2 MET 70 -15.764 5.135 -1.600 404 2HB MET 70 HB1 MET 70 -14.183 4.591 -2.134 405 1HG MET 70 HG2 MET 70 -15.381 2.393 -0.866 406 2HG MET 70 HG1 MET 70 -16.626 3.127 -1.874 407 1HE MET 70 HE1 MET 70 -13.386 1.654 -1.395 408 2HE MET 70 HE2 MET 70 -12.486 2.090 -2.858 409 3HE MET 70 HE3 MET 70 -13.281 0.517 -2.740 410 H TYR 71 HN TYR 71 -13.520 6.561 -1.287 411 HA TYR 71 HA TYR 71 -10.815 5.850 -1.327 412 1HB TYR 71 HB2 TYR 71 -12.376 8.222 -2.114 413 2HB TYR 71 HB1 TYR 71 -10.660 8.492 -1.800 414 HD1 TYR 71 HD1 TYR 71 -11.733 5.216 -2.927 415 HD2 TYR 71 HD2 TYR 71 -10.307 9.012 -4.214 416 HE1 TYR 71 HE1 TYR 71 -11.164 4.242 -5.091 417 HE2 TYR 71 HE2 TYR 71 -9.744 8.053 -6.409 418 HH TYR 71 HH TYR 71 -9.262 5.895 -7.409 419 H LYS 72 HN LYS 72 -12.643 7.517 1.102 420 HA LYS 72 HA LYS 72 -10.343 8.611 2.419 421 1HB LYS 72 HB2 LYS 72 -12.652 9.471 2.724 422 2HB LYS 72 HB1 LYS 72 -12.996 7.996 3.593 423 1HG LYS 72 HG2 LYS 72 -12.564 9.488 5.300 424 2HG LYS 72 HG1 LYS 72 -11.017 8.661 5.093 425 1HD LYS 72 HD2 LYS 72 -10.032 10.486 4.062 426 2HD LYS 72 HD1 LYS 72 -11.583 11.172 3.571 427 1HE LYS 72 HE2 LYS 72 -11.151 10.920 6.476 428 2HE LYS 72 HE1 LYS 72 -10.116 12.083 5.647 429 1HZ LYS 72 HZ1 LYS 72 -12.433 12.757 4.605 430 2HZ LYS 72 HZ2 LYS 72 -11.888 13.404 6.070 431 3HZ LYS 72 HZ3 LYS 72 -13.004 12.133 6.070 432 H ALA 73 HN ALA 73 -12.278 5.679 2.573 433 HA ALA 73 HA ALA 73 -11.119 4.509 4.864 434 1HB ALA 73 HB1 ALA 73 -12.297 2.614 4.309 435 2HB ALA 73 HB2 ALA 73 -11.936 2.766 2.589 436 3HB ALA 73 HB3 ALA 73 -13.177 3.782 3.323 437 H ILE 74 HN ILE 74 -10.427 4.369 1.422 438 HA ILE 74 HA ILE 74 -8.071 2.788 1.578 439 HB ILE 74 HB ILE 74 -9.289 4.608 -0.475 440 H ASN 75 HN ASN 75 -8.877 6.164 1.761 441 HA ASN 75 HA ASN 75 -6.359 7.355 1.753 442 1HB ASN 75 HB2 ASN 75 -8.880 8.219 1.813 443 2HB ASN 75 HB1 ASN 75 -8.544 8.399 3.526 444 H GLU 76 HN GLU 76 -8.287 5.845 4.257 445 HA GLU 76 HA GLU 76 -6.539 6.444 6.433 446 1HB GLU 76 HB2 GLU 76 -9.110 5.432 6.157 447 2HB GLU 76 HB1 GLU 76 -8.192 4.058 6.761 448 1HG GLU 76 HG2 GLU 76 -9.038 5.143 8.659 449 2HG GLU 76 HG1 GLU 76 -7.335 5.591 8.576 450 H VAL 77 HN VAL 77 -7.223 3.423 4.633 451 HA VAL 77 HA VAL 77 -5.387 1.731 5.760 452 HB VAL 77 HB VAL 77 -5.824 1.851 2.781 453 H GLU 78 HN GLU 78 -4.845 3.862 2.965 454 HA GLU 78 HA GLU 78 -2.168 3.294 2.573 455 1HB GLU 78 HB2 GLU 78 -3.876 4.842 1.264 456 2HB GLU 78 HB1 GLU 78 -3.108 6.107 2.216 457 1HG GLU 78 HG2 GLU 78 -2.031 5.964 0.085 458 2HG GLU 78 HG1 GLU 78 -0.918 5.395 1.328 459 H GLU 79 HN GLU 79 -3.719 5.413 4.877 460 HA GLU 79 HA GLU 79 -1.351 6.704 5.776 461 1HB GLU 79 HB2 GLU 79 -4.114 6.917 6.282 462 2HB GLU 79 HB1 GLU 79 -3.375 6.533 7.830 463 1HG GLU 79 HG2 GLU 79 -1.837 8.427 7.544 464 2HG GLU 79 HG1 GLU 79 -2.638 8.825 6.023 465 H LYS 80 HN LYS 80 -3.209 3.892 6.884 466 HA LYS 80 HA LYS 80 -1.570 3.354 9.139 467 1HB LYS 80 HB2 LYS 80 -3.914 2.280 8.028 468 2HB LYS 80 HB1 LYS 80 -2.755 0.960 8.017 469 1HG LYS 80 HG2 LYS 80 -2.413 1.159 10.380 470 2HG LYS 80 HG1 LYS 80 -3.406 2.617 10.443 471 1HD LYS 80 HD2 LYS 80 -5.382 1.421 10.018 472 2HD LYS 80 HD1 LYS 80 -4.501 0.001 9.452 473 1HE LYS 80 HE2 LYS 80 -4.019 0.897 12.238 474 2HE LYS 80 HE1 LYS 80 -5.574 0.144 11.884 475 1HZ LYS 80 HZ1 LYS 80 -4.617 -1.856 11.475 476 2HZ LYS 80 HZ2 LYS 80 -3.471 -1.261 12.568 477 3HZ LYS 80 HZ3 LYS 80 -3.167 -1.194 10.906 478 H LEU 81 HN LEU 81 -1.672 2.038 5.849 479 HA LEU 81 HA LEU 81 0.477 0.261 6.110 480 1HB LEU 81 HB2 LEU 81 -1.270 1.101 4.057 481 2HB LEU 81 HB1 LEU 81 0.352 1.359 3.445 482 HG LEU 81 HG LEU 81 -0.844 -0.895 2.990 483 H GLU 82 HN GLU 82 0.382 3.672 5.073 484 HA GLU 82 HA GLU 82 3.157 3.863 4.528 485 1HB GLU 82 HB2 GLU 82 1.284 5.476 3.858 486 2HB GLU 82 HB1 GLU 82 1.441 6.147 5.472 487 1HG GLU 82 HG2 GLU 82 3.272 7.285 4.937 488 2HG GLU 82 HG1 GLU 82 3.990 5.905 4.106 489 H ARG 83 HN ARG 83 1.202 4.711 7.361 490 HA ARG 83 HA ARG 83 3.190 5.672 9.033 491 1HB ARG 83 HB2 ARG 83 0.790 5.712 9.598 492 2HB ARG 83 HB1 ARG 83 0.813 3.966 9.809 493 1HG ARG 83 HG2 ARG 83 2.650 4.445 11.568 494 2HG ARG 83 HG1 ARG 83 2.017 6.091 11.530 495 1HD ARG 83 HD2 ARG 83 -0.145 4.207 11.702 496 2HD ARG 83 HD1 ARG 83 1.028 3.899 12.982 497 HE ARG 83 HE ARG 83 0.676 6.581 13.093 498 1HH1 ARG 83 HH11 ARG 83 -1.527 3.873 13.128 499 2HH1 ARG 83 HH12 ARG 83 -2.709 4.687 14.095 500 1HH2 ARG 83 HH21 ARG 83 -0.880 7.652 14.366 501 2HH2 ARG 83 HH22 ARG 83 -2.343 6.832 14.799 502 H GLN 84 HN GLN 84 2.086 2.319 8.605 503 HA GLN 84 HA GLN 84 3.921 1.139 10.378 504 1HB GLN 84 HB2 GLN 84 2.363 0.117 8.023 505 2HB GLN 84 HB1 GLN 84 3.524 -0.918 8.844 506 1HG GLN 84 HG2 GLN 84 2.319 -0.732 10.905 507 2HG GLN 84 HG1 GLN 84 1.237 0.473 10.209 508 H LEU 85 HN LEU 85 4.083 1.909 6.928 509 HA LEU 85 HA LEU 85 6.533 0.729 6.291 510 1HB LEU 85 HB2 LEU 85 4.823 2.825 5.193 511 2HB LEU 85 HB1 LEU 85 6.522 3.156 4.920 512 HG LEU 85 HG LEU 85 5.641 0.417 4.252 513 H ASN 86 HN ASN 86 5.799 3.978 7.501 514 HA ASN 86 HA ASN 86 8.438 4.881 7.787 515 1HB ASN 86 HB2 ASN 86 6.195 6.193 7.971 516 2HB ASN 86 HB1 ASN 86 6.231 5.700 9.663 517 H LYS 87 HN LYS 87 6.364 2.921 9.815 518 HA LYS 87 HA LYS 87 7.895 2.957 12.175 519 1HB LYS 87 HB2 LYS 87 5.635 1.539 11.185 520 2HB LYS 87 HB1 LYS 87 6.794 0.343 11.757 521 1HG LYS 87 HG2 LYS 87 6.476 0.882 13.909 522 2HG LYS 87 HG1 LYS 87 6.383 2.611 13.572 523 1HD LYS 87 HD2 LYS 87 4.138 2.584 13.436 524 2HD LYS 87 HD1 LYS 87 4.116 1.055 12.554 525 1HE LYS 87 HE2 LYS 87 4.154 -0.212 14.500 526 2HE LYS 87 HE1 LYS 87 4.798 1.114 15.467 527 1HZ LYS 87 HZ1 LYS 87 2.695 2.213 15.391 528 2HZ LYS 87 HZ2 LYS 87 2.428 0.620 15.893 529 3HZ LYS 87 HZ3 LYS 87 2.066 1.077 14.305 530 H LEU 88 HN LEU 88 7.912 0.718 9.404 531 HA LEU 88 HA LEU 88 10.028 -0.883 10.289 532 1HB LEU 88 HB2 LEU 88 9.480 -0.199 7.401 533 2HB LEU 88 HB1 LEU 88 10.261 -1.639 8.020 534 HG LEU 88 HG LEU 88 7.340 -0.923 8.205 535 H GLN 89 HN GLN 89 10.079 1.728 7.890 536 HA GLN 89 HA GLN 89 12.833 1.947 7.592 537 1HB GLN 89 HB2 GLN 89 10.548 3.832 7.210 538 2HB GLN 89 HB1 GLN 89 12.180 4.481 7.159 539 1HG GLN 89 HG2 GLN 89 11.644 4.034 4.939 540 2HG GLN 89 HG1 GLN 89 12.667 2.691 5.423 541 H HIS 90 HN HIS 90 10.782 2.964 10.179 542 HA HIS 90 HA HIS 90 12.640 4.802 11.385 543 1HB HIS 90 HB2 HIS 90 9.986 3.630 12.094 544 2HB HIS 90 HB1 HIS 90 10.961 4.307 13.386 545 HD1 HIS 90 HD1 HIS 90 11.631 6.248 10.457 546 HD2 HIS 90 HD2 HIS 90 8.572 6.128 13.268 547 HE1 HIS 90 HE1 HIS 90 10.451 8.460 10.261 548 HE2 HIS 90 HE2 HIS 90 8.652 8.395 12.023 549 H LYS 91 HN LYS 91 11.240 1.746 12.463 550 HA LYS 91 HA LYS 91 11.900 0.185 13.926 551 1HB LYS 91 HB2 LYS 91 14.099 -0.827 13.498 552 2HB LYS 91 HB1 LYS 91 13.216 -0.510 12.015 553 1HG LYS 91 HG2 LYS 91 14.662 1.148 11.346 554 2HG LYS 91 HG1 LYS 91 15.195 1.494 12.990 555 1HD LYS 91 HD2 LYS 91 17.030 0.362 12.267 556 2HD LYS 91 HD1 LYS 91 16.068 -1.009 12.823 557 1HE LYS 91 HE2 LYS 91 15.272 -0.488 10.172 558 2HE LYS 91 HE1 LYS 91 17.034 -0.419 10.190 559 1HZ LYS 91 HZ1 LYS 91 15.780 -2.673 9.873 560 2HZ LYS 91 HZ2 LYS 91 15.709 -2.645 11.562 561 3HZ LYS 91 HZ3 LYS 91 17.207 -2.602 10.778 562 H SER 92 HN SER 92 11.811 0.757 15.979 563 HA SER 92 HA SER 92 14.099 2.221 17.119 564 1HB SER 92 HB2 SER 92 11.346 2.142 18.347 565 2HB SER 92 HB1 SER 92 12.658 3.275 18.673 566 HG SER 92 HG SER 92 11.869 4.477 17.157 567 H GLU 93 HN GLU 93 13.513 1.802 19.809 568 HA GLU 93 HA GLU 93 14.619 -0.783 20.201 569 1HB GLU 93 HB2 GLU 93 14.661 1.446 21.669 570 2HB GLU 93 HB1 GLU 93 13.320 0.638 22.470 571 1HG GLU 93 HG2 GLU 93 15.852 -0.858 22.002 572 2HG GLU 93 HG1 GLU 93 15.770 0.321 23.309 573 H SER 94 HN SER 94 11.558 0.519 21.499 574 HA SER 94 HA SER 94 10.506 -2.049 22.071 575 1HB SER 94 HB2 SER 94 9.817 0.078 23.209 576 2HB SER 94 HB1 SER 94 8.959 0.530 21.737 577 HG SER 94 HG SER 94 8.475 -1.904 23.095 578 H ARG 95 HN ARG 95 8.246 -2.651 21.186 579 HA ARG 95 HA ARG 95 7.607 -1.968 18.505 580 1HB ARG 95 HB2 ARG 95 9.651 -3.893 18.797 581 2HB ARG 95 HB1 ARG 95 8.209 -4.777 18.318 582 1HG ARG 95 HG2 ARG 95 8.670 -2.334 16.780 583 2HG ARG 95 HG1 ARG 95 9.944 -3.543 16.618 584 1HD ARG 95 HD2 ARG 95 8.304 -5.217 15.982 585 2HD ARG 95 HD1 ARG 95 6.999 -4.055 16.214 586 HE ARG 95 HE ARG 95 8.575 -2.838 14.391 587 1HH1 ARG 95 HH11 ARG 95 7.164 -6.025 14.559 588 2HH1 ARG 95 HH12 ARG 95 7.032 -6.194 12.841 589 1HH2 ARG 95 HH21 ARG 95 8.403 -3.057 12.131 590 2HH2 ARG 95 HH22 ARG 95 7.735 -4.508 11.461 591 H ARG 96 HN ARG 96 5.478 -2.180 18.415 592 HA ARG 96 HA ARG 96 4.095 -4.550 19.071 593 1HB ARG 96 HB2 ARG 96 4.494 -2.657 21.232 594 2HB ARG 96 HB1 ARG 96 2.784 -2.890 20.899 595 1HG ARG 96 HG2 ARG 96 3.946 -5.449 20.888 596 2HG ARG 96 HG1 ARG 96 4.611 -4.598 22.284 597 1HD ARG 96 HD2 ARG 96 2.503 -4.256 23.229 598 2HD ARG 96 HD1 ARG 96 1.671 -4.559 21.704 599 HE ARG 96 HE ARG 96 2.941 -6.914 22.325 600 1HH1 ARG 96 HH11 ARG 96 0.572 -4.863 23.859 601 2HH1 ARG 96 HH12 ARG 96 -0.204 -6.168 24.692 602 1HH2 ARG 96 HH21 ARG 96 1.924 -8.633 23.419 603 2HH2 ARG 96 HH22 ARG 96 0.565 -8.310 24.443 604 H ALA 97 HN ALA 97 1.866 -4.453 18.540 605 HA ALA 97 HA ALA 97 0.643 -1.992 17.726 606 1HB ALA 97 HB1 ALA 97 2.167 -2.457 15.820 607 2HB ALA 97 HB2 ALA 97 0.462 -2.427 15.371 608 3HB ALA 97 HB3 ALA 97 1.300 -3.968 15.547 609 H ASP 98 HN ASP 98 -1.451 -2.194 18.140 610 HA ASP 98 HA ASP 98 -2.701 -4.845 17.851 611 1HB ASP 98 HB2 ASP 98 -2.262 -4.183 20.252 612 2HB ASP 98 HB1 ASP 98 -3.401 -2.861 20.018 613 H GLU 99 HN GLU 99 -5.012 -4.805 17.471 614 HA GLU 99 HA GLU 99 -6.065 -2.252 16.489 615 1HB GLU 99 HB2 GLU 99 -6.188 -4.829 14.914 616 2HB GLU 99 HB1 GLU 99 -6.871 -3.282 14.433 617 1HG GLU 99 HG2 GLU 99 -4.975 -3.049 13.282 618 2HG GLU 99 HG1 GLU 99 -4.279 -2.604 14.840 619 H ARG 100 HN ARG 100 -8.274 -2.013 16.655 620 HA ARG 100 HA ARG 100 -9.580 -3.771 18.522 621 1HB ARG 100 HB2 ARG 100 -11.487 -2.171 18.273 622 2HB ARG 100 HB1 ARG 100 -9.975 -1.417 18.760 623 1HG ARG 100 HG2 ARG 100 -9.747 -0.282 16.804 624 2HG ARG 100 HG1 ARG 100 -10.585 -1.517 15.861 625 1HD ARG 100 HD2 ARG 100 -11.921 0.505 15.981 626 2HD ARG 100 HD1 ARG 100 -12.716 -0.808 16.849 627 HE ARG 100 HE ARG 100 -11.145 0.689 18.643 628 1HH1 ARG 100 HH11 ARG 100 -14.080 0.941 16.770 629 2HH1 ARG 100 HH12 ARG 100 -14.830 2.052 17.864 630 1HH2 ARG 100 HH21 ARG 100 -12.132 2.152 20.083 631 2HH2 ARG 100 HH22 ARG 100 -13.725 2.741 19.744 632 H LEU 101 HN LEU 101 -12.001 -4.268 18.015 633 HA LEU 101 HA LEU 101 -12.124 -5.466 15.325 634 1HB LEU 101 HB2 LEU 101 -13.358 -6.506 17.877 635 2HB LEU 101 HB1 LEU 101 -13.490 -7.254 16.296 636 HG LEU 101 HG LEU 101 -10.744 -6.814 17.320 637 H LYS 102 HN LYS 102 -14.633 -6.190 15.032 638 HA LYS 102 HA LYS 102 -16.076 -3.653 15.067 639 1HB LYS 102 HB2 LYS 102 -15.889 -4.909 12.946 640 2HB LYS 102 HB1 LYS 102 -16.755 -6.252 13.679 641 1HG LYS 102 HG2 LYS 102 -18.672 -4.670 14.057 642 2HG LYS 102 HG1 LYS 102 -17.805 -3.508 13.051 643 1HD LYS 102 HD2 LYS 102 -18.188 -4.671 11.138 644 2HD LYS 102 HD1 LYS 102 -18.140 -6.236 11.953 645 1HE LYS 102 HE2 LYS 102 -20.356 -6.058 12.676 646 2HE LYS 102 HE1 LYS 102 -20.400 -4.318 12.401 647 1HZ LYS 102 HZ1 LYS 102 -20.597 -4.604 10.121 648 2HZ LYS 102 HZ2 LYS 102 -21.579 -5.835 10.738 649 3HZ LYS 102 HZ3 LYS 102 -20.033 -6.199 10.156 650 H ASP 103 HN ASP 103 -18.234 -3.474 15.808 651 HA ASP 103 HA ASP 103 -19.923 -3.760 17.304 652 1HB ASP 103 HB2 ASP 103 -19.307 -6.524 16.404 653 2HB ASP 103 HB1 ASP 103 -20.302 -6.359 17.847 654 H SER 104 HN SER 104 -18.608 -2.725 18.915 655 HA SER 104 HA SER 104 -17.648 -4.584 20.993 656 1HB SER 104 HB2 SER 104 -16.153 -2.693 21.720 657 2HB SER 104 HB1 SER 104 -15.768 -3.357 20.132 658 HG SER 104 HG SER 104 -15.882 -0.975 20.357 659 H PHE 105 HN PHE 105 -17.515 -3.249 23.191 660 HA PHE 105 HA PHE 105 -20.255 -2.498 23.755 661 1HB PHE 105 HB2 PHE 105 -17.836 -2.885 25.522 662 2HB PHE 105 HB1 PHE 105 -19.411 -2.390 26.132 663 HD1 PHE 105 HD1 PHE 105 -21.343 -3.935 25.938 664 HD2 PHE 105 HD2 PHE 105 -17.375 -5.138 24.980 665 HE1 PHE 105 HE1 PHE 105 -22.025 -6.294 26.096 666 HE2 PHE 105 HE2 PHE 105 -18.049 -7.499 25.136 667 HZ PHE 105 HZ PHE 105 -20.377 -8.080 25.694 668 H GLU 106 HN GLU 106 -17.118 -0.982 23.499 669 HA GLU 106 HA GLU 106 -18.258 1.583 24.361 670 1HB GLU 106 HB2 GLU 106 -16.029 0.577 25.275 671 2HB GLU 106 HB1 GLU 106 -15.351 1.159 23.761 672 1HG GLU 106 HG2 GLU 106 -15.768 3.391 24.295 673 2HG GLU 106 HG1 GLU 106 -16.915 2.966 25.564 674 H ASN 107 HN ASN 107 -18.364 3.328 23.020 675 HA ASN 107 HA ASN 107 -18.496 4.500 21.076 676 1HB ASN 107 HB2 ASN 107 -16.122 2.814 20.251 677 2HB ASN 107 HB1 ASN 107 -16.633 4.325 19.505 Start of MODEL 8 1 1H MET 1 HT1 MET 1 8.145 -4.582 -8.227 2 2H MET 1 HT2 MET 1 7.111 -3.318 -8.756 3 3H MET 1 HT3 MET 1 6.931 -4.902 -9.394 4 HA MET 1 HA MET 1 6.305 -5.722 -7.258 5 1HB MET 1 HB2 MET 1 5.865 -4.021 -5.467 6 2HB MET 1 HB1 MET 1 7.566 -4.242 -5.852 7 1HG MET 1 HG2 MET 1 6.221 -2.125 -7.372 8 2HG MET 1 HG1 MET 1 6.327 -1.847 -5.634 9 1HE MET 1 HE1 MET 1 8.628 -1.263 -8.958 10 2HE MET 1 HE2 MET 1 8.995 0.102 -7.903 11 3HE MET 1 HE3 MET 1 7.322 -0.402 -8.145 12 H THR 2 HN THR 2 4.678 -6.026 -8.942 13 HA THR 2 HA THR 2 2.734 -4.003 -9.471 14 HB THR 2 HB THR 2 1.426 -6.024 -10.391 15 HG1 THR 2 HG1 THR 2 2.422 -7.926 -10.434 16 H LEU 3 HN LEU 3 1.100 -3.393 -8.221 17 HA LEU 3 HA LEU 3 0.507 -4.811 -5.789 18 1HB LEU 3 HB2 LEU 3 0.513 -2.413 -5.722 19 2HB LEU 3 HB1 LEU 3 -0.649 -2.320 -7.032 20 HG LEU 3 HG LEU 3 -1.402 -3.664 -4.460 21 H ASN 4 HN ASN 4 -0.701 -6.582 -5.842 22 HA ASN 4 HA ASN 4 -2.750 -6.915 -7.867 23 1HB ASN 4 HB2 ASN 4 -2.018 -8.786 -5.614 24 2HB ASN 4 HB1 ASN 4 -2.965 -9.175 -7.045 25 H ILE 5 HN ILE 5 -4.933 -7.654 -7.241 26 HA ILE 5 HA ILE 5 -5.829 -6.622 -4.651 27 HB ILE 5 HB ILE 5 -7.203 -5.897 -7.237 28 H THR 6 HN THR 6 -7.972 -7.325 -4.037 29 HA THR 6 HA THR 6 -9.318 -9.358 -5.540 30 HB THR 6 HB THR 6 -7.745 -10.128 -3.075 31 HG1 THR 6 HG1 THR 6 -6.403 -10.776 -4.529 32 H SER 7 HN SER 7 -11.146 -8.096 -5.228 33 HA SER 7 HA SER 7 -11.996 -7.536 -2.491 34 1HB SER 7 HB2 SER 7 -13.918 -6.733 -4.478 35 2HB SER 7 HB1 SER 7 -12.995 -5.743 -3.373 36 HG SER 7 HG SER 7 -12.494 -5.193 -5.500 37 H LYS 8 HN LYS 8 -13.415 -8.768 -1.440 38 HA LYS 8 HA LYS 8 -14.341 -11.201 -2.451 39 1HB LYS 8 HB2 LYS 8 -15.369 -11.535 -0.386 40 2HB LYS 8 HB1 LYS 8 -14.043 -10.444 -0.012 41 1HG LYS 8 HG2 LYS 8 -15.879 -8.603 -0.384 42 2HG LYS 8 HG1 LYS 8 -16.973 -9.939 -0.026 43 1HD LYS 8 HD2 LYS 8 -14.639 -9.468 1.768 44 2HD LYS 8 HD1 LYS 8 -16.040 -8.403 1.895 45 1HE LYS 8 HE2 LYS 8 -16.600 -11.302 1.798 46 2HE LYS 8 HE1 LYS 8 -15.798 -10.712 3.253 47 1HZ LYS 8 HZ1 LYS 8 -17.696 -9.857 3.971 48 2HZ LYS 8 HZ2 LYS 8 -18.492 -10.597 2.676 49 3HZ LYS 8 HZ3 LYS 8 -17.944 -9.004 2.530 50 H GLN 9 HN GLN 9 -15.846 -8.031 -2.497 51 HA GLN 9 HA GLN 9 -18.114 -9.245 -3.920 52 1HB GLN 9 HB2 GLN 9 -19.395 -7.156 -2.961 53 2HB GLN 9 HB1 GLN 9 -19.233 -8.631 -2.021 54 1HG GLN 9 HG2 GLN 9 -17.004 -7.248 -1.274 55 2HG GLN 9 HG1 GLN 9 -18.170 -5.954 -1.530 56 H MET 10 HN MET 10 -17.689 -5.794 -3.353 57 HA MET 10 HA MET 10 -18.205 -4.972 -5.905 58 1HB MET 10 HB2 MET 10 -16.892 -2.902 -5.333 59 2HB MET 10 HB1 MET 10 -18.129 -3.354 -4.172 60 1HG MET 10 HG2 MET 10 -16.178 -4.565 -2.965 61 2HG MET 10 HG1 MET 10 -15.169 -3.493 -3.927 62 1HE MET 10 HE1 MET 10 -14.447 -0.978 -2.003 63 2HE MET 10 HE2 MET 10 -14.057 -2.676 -2.284 64 3HE MET 10 HE3 MET 10 -14.627 -2.154 -0.702 65 H ASP 11 HN ASP 11 -17.285 -5.734 -7.689 66 HA ASP 11 HA ASP 11 -14.749 -6.822 -7.912 67 1HB ASP 11 HB2 ASP 11 -15.045 -6.391 -10.403 68 2HB ASP 11 HB1 ASP 11 -16.318 -7.321 -9.617 69 H ILE 12 HN ILE 12 -13.224 -5.846 -9.782 70 HA ILE 12 HA ILE 12 -12.333 -3.272 -8.701 71 HB ILE 12 HB ILE 12 -10.515 -4.443 -10.635 72 H THR 13 HN THR 13 -12.234 -1.472 -9.892 73 HA THR 13 HA THR 13 -12.631 -1.622 -12.780 74 HB THR 13 HB THR 13 -14.595 -0.527 -12.824 75 HG1 THR 13 HG1 THR 13 -14.988 1.322 -11.704 76 HA PRO 14 HA PRO 14 -9.840 1.685 -13.628 77 1HB PRO 14 HB2 PRO 14 -12.157 3.584 -13.662 78 2HB PRO 14 HB1 PRO 14 -10.782 3.478 -14.770 79 1HG PRO 14 HG2 PRO 14 -13.152 2.443 -15.430 80 2HG PRO 14 HG1 PRO 14 -11.640 1.629 -15.872 81 1HD PRO 14 HD2 PRO 14 -13.660 0.879 -13.851 82 2HD PRO 14 HD1 PRO 14 -12.477 -0.138 -14.697 83 H ALA 15 HN ALA 15 -12.428 2.808 -11.433 84 HA ALA 15 HA ALA 15 -10.986 4.792 -10.127 85 1HB ALA 15 HB1 ALA 15 -13.153 4.939 -9.500 86 2HB ALA 15 HB2 ALA 15 -12.593 3.971 -8.136 87 3HB ALA 15 HB3 ALA 15 -13.389 3.191 -9.504 88 H ILE 16 HN ILE 16 -11.808 1.838 -8.335 89 HA ILE 16 HA ILE 16 -9.773 1.988 -6.493 90 HB ILE 16 HB ILE 16 -9.922 -0.646 -6.564 91 H ARG 17 HN ARG 17 -9.709 -0.024 -9.469 92 HA ARG 17 HA ARG 17 -7.216 -1.067 -9.420 93 1HB ARG 17 HB2 ARG 17 -8.411 0.374 -11.802 94 2HB ARG 17 HB1 ARG 17 -7.130 -0.820 -11.862 95 1HG ARG 17 HG2 ARG 17 -9.569 -1.717 -10.530 96 2HG ARG 17 HG1 ARG 17 -9.751 -1.333 -12.240 97 1HD ARG 17 HD2 ARG 17 -7.346 -2.871 -11.712 98 2HD ARG 17 HD1 ARG 17 -8.799 -3.707 -11.179 99 HE ARG 17 HE ARG 17 -9.543 -3.805 -13.388 100 1HH1 ARG 17 HH11 ARG 17 -6.482 -2.130 -13.158 101 2HH1 ARG 17 HH12 ARG 17 -6.160 -2.235 -14.854 102 1HH2 ARG 17 HH21 ARG 17 -9.112 -3.939 -15.617 103 2HH2 ARG 17 HH22 ARG 17 -7.649 -3.259 -16.249 104 H GLU 18 HN GLU 18 -7.906 2.068 -10.907 105 HA GLU 18 HA GLU 18 -5.265 2.954 -11.138 106 1HB GLU 18 HB2 GLU 18 -7.141 3.989 -12.334 107 2HB GLU 18 HB1 GLU 18 -7.800 4.586 -10.815 108 1HG GLU 18 HG2 GLU 18 -5.040 5.345 -11.688 109 2HG GLU 18 HG1 GLU 18 -6.454 6.182 -12.326 110 H HIS 19 HN HIS 19 -7.607 3.360 -8.507 111 HA HIS 19 HA HIS 19 -6.076 5.109 -6.918 112 1HB HIS 19 HB2 HIS 19 -8.576 4.347 -6.749 113 2HB HIS 19 HB1 HIS 19 -7.928 3.045 -5.760 114 HD1 HIS 19 HD1 HIS 19 -6.765 6.651 -5.632 115 HD2 HIS 19 HD2 HIS 19 -8.859 3.857 -3.410 116 HE1 HIS 19 HE1 HIS 19 -7.144 7.739 -3.392 117 HE2 HIS 19 HE2 HIS 19 -8.506 6.063 -2.090 118 H LEU 20 HN LEU 20 -6.751 1.698 -6.255 119 HA LEU 20 HA LEU 20 -4.852 1.095 -4.412 120 1HB LEU 20 HB2 LEU 20 -5.469 -0.751 -6.704 121 2HB LEU 20 HB1 LEU 20 -5.096 -1.174 -5.043 122 HG LEU 20 HG LEU 20 -7.614 0.239 -5.929 123 H GLU 21 HN GLU 21 -4.414 0.883 -7.945 124 HA GLU 21 HA GLU 21 -1.695 0.193 -7.927 125 1HB GLU 21 HB2 GLU 21 -3.309 1.733 -9.971 126 2HB GLU 21 HB1 GLU 21 -1.675 1.150 -10.248 127 1HG GLU 21 HG2 GLU 21 -2.357 -1.099 -10.167 128 2HG GLU 21 HG1 GLU 21 -3.931 -0.680 -9.500 129 H GLU 22 HN GLU 22 -3.273 3.362 -8.266 130 HA GLU 22 HA GLU 22 -1.013 4.967 -8.378 131 1HB GLU 22 HB2 GLU 22 -3.263 5.848 -8.752 132 2HB GLU 22 HB1 GLU 22 -3.674 5.568 -7.065 133 1HG GLU 22 HG2 GLU 22 -1.810 7.162 -6.478 134 2HG GLU 22 HG1 GLU 22 -1.743 7.570 -8.192 135 H ARG 23 HN ARG 23 -2.713 3.641 -5.574 136 HA ARG 23 HA ARG 23 -1.269 4.954 -3.567 137 1HB ARG 23 HB2 ARG 23 -2.650 2.276 -3.617 138 2HB ARG 23 HB1 ARG 23 -1.888 2.918 -2.170 139 1HG ARG 23 HG2 ARG 23 -4.261 3.994 -3.658 140 2HG ARG 23 HG1 ARG 23 -4.162 3.445 -1.988 141 1HD ARG 23 HD2 ARG 23 -2.373 5.390 -1.839 142 2HD ARG 23 HD1 ARG 23 -3.306 6.019 -3.196 143 HE ARG 23 HE ARG 23 -5.098 5.295 -1.182 144 1HH1 ARG 23 HH11 ARG 23 -2.563 7.632 -1.729 145 2HH1 ARG 23 HH12 ARG 23 -3.258 8.817 -0.675 146 1HH2 ARG 23 HH21 ARG 23 -6.012 6.854 0.203 147 2HH2 ARG 23 HH22 ARG 23 -5.215 8.376 0.422 148 H LEU 24 HN LEU 24 -0.699 1.885 -5.259 149 HA LEU 24 HA LEU 24 1.644 1.165 -3.859 150 1HB LEU 24 HB2 LEU 24 0.496 -0.452 -5.248 151 2HB LEU 24 HB1 LEU 24 0.764 0.523 -6.677 152 HG LEU 24 HG LEU 24 3.299 0.166 -6.075 153 H ALA 25 HN ALA 25 1.147 2.904 -6.917 154 HA ALA 25 HA ALA 25 3.834 3.417 -7.509 155 1HB ALA 25 HB1 ALA 25 1.230 4.540 -8.337 156 2HB ALA 25 HB2 ALA 25 2.582 3.966 -9.314 157 3HB ALA 25 HB3 ALA 25 2.640 5.571 -8.586 158 H LYS 26 HN LYS 26 1.524 5.085 -5.454 159 HA LYS 26 HA LYS 26 3.131 7.368 -4.934 160 1HB LYS 26 HB2 LYS 26 0.535 6.607 -4.354 161 2HB LYS 26 HB1 LYS 26 1.310 6.595 -2.775 162 1HG LYS 26 HG2 LYS 26 0.502 8.750 -2.936 163 2HG LYS 26 HG1 LYS 26 2.183 8.931 -3.439 164 1HD LYS 26 HD2 LYS 26 0.114 8.386 -5.513 165 2HD LYS 26 HD1 LYS 26 0.222 10.008 -4.828 166 1HE LYS 26 HE2 LYS 26 2.854 9.322 -5.369 167 2HE LYS 26 HE1 LYS 26 1.952 8.675 -6.739 168 1HZ LYS 26 HZ1 LYS 26 0.871 10.959 -6.827 169 2HZ LYS 26 HZ2 LYS 26 2.477 10.845 -7.346 170 3HZ LYS 26 HZ3 LYS 26 2.127 11.476 -5.817 171 H LEU 27 HN LEU 27 2.709 4.234 -3.369 172 HA LEU 27 HA LEU 27 4.505 4.862 -1.214 173 1HB LEU 27 HB2 LEU 27 2.909 2.503 -2.045 174 2HB LEU 27 HB1 LEU 27 4.340 2.183 -1.084 175 HG LEU 27 HG LEU 27 1.966 3.871 -0.304 176 H GLY 28 HN GLY 28 4.935 4.086 -4.444 177 1HA GLY 28 HA2 GLY 28 7.165 2.368 -4.373 178 2HA GLY 28 HA1 GLY 28 6.765 3.469 -5.682 179 H LYS 29 HN LYS 29 6.868 5.839 -3.997 180 HA LYS 29 HA LYS 29 9.691 6.326 -4.190 181 1HB LYS 29 HB2 LYS 29 9.195 8.596 -3.682 182 2HB LYS 29 HB1 LYS 29 7.938 8.022 -4.764 183 1HG LYS 29 HG2 LYS 29 6.334 8.456 -3.279 184 2HG LYS 29 HG1 LYS 29 7.226 7.689 -1.965 185 1HD LYS 29 HD2 LYS 29 8.659 9.986 -2.386 186 2HD LYS 29 HD1 LYS 29 7.002 10.511 -2.690 187 1HE LYS 29 HE2 LYS 29 7.252 10.857 -0.408 188 2HE LYS 29 HE1 LYS 29 6.450 9.288 -0.487 189 1HZ LYS 29 HZ1 LYS 29 8.253 8.229 0.308 190 2HZ LYS 29 HZ2 LYS 29 8.632 9.745 0.953 191 3HZ LYS 29 HZ3 LYS 29 9.355 9.236 -0.489 192 H TRP 30 HN TRP 30 7.762 5.007 -1.800 193 HA TRP 30 HA TRP 30 9.134 6.094 0.482 194 1HB TRP 30 HB2 TRP 30 6.981 4.093 0.021 195 2HB TRP 30 HB1 TRP 30 7.878 4.002 1.527 196 HD1 TRP 30 HD1 TRP 30 5.476 6.313 -0.379 197 HE1 TRP 30 HE1 TRP 30 4.468 7.988 1.297 198 HE3 TRP 30 HE3 TRP 30 8.285 5.145 3.711 199 HZ2 TRP 30 HZ2 TRP 30 4.824 8.714 4.009 200 HZ3 TRP 30 HZ3 TRP 30 7.903 6.378 5.803 201 HH2 TRP 30 HH2 TRP 30 6.207 8.126 5.949 202 H GLN 31 HN GLN 31 11.305 5.633 0.323 203 HA GLN 31 HA GLN 31 12.808 3.723 -0.605 204 1HB GLN 31 HB2 GLN 31 14.273 3.803 1.415 205 2HB GLN 31 HB1 GLN 31 13.798 5.378 0.800 206 1HG GLN 31 HG2 GLN 31 12.413 4.018 3.093 207 2HG GLN 31 HG1 GLN 31 13.771 5.119 3.293 208 H THR 32 HN THR 32 11.398 1.888 -0.892 209 HA THR 32 HA THR 32 11.996 -0.218 0.926 210 HB THR 32 HB THR 32 9.207 0.920 0.774 211 HG1 THR 32 HG1 THR 32 10.886 0.159 2.927 212 H GLN 33 HN GLN 33 10.987 -2.292 0.131 213 HA GLN 33 HA GLN 33 10.437 -2.198 -2.750 214 1HB GLN 33 HB2 GLN 33 11.581 -4.541 -2.712 215 2HB GLN 33 HB1 GLN 33 12.568 -3.093 -2.809 216 1HG GLN 33 HG2 GLN 33 11.956 -4.291 -0.150 217 2HG GLN 33 HG1 GLN 33 13.201 -5.006 -1.170 218 H LEU 34 HN LEU 34 8.296 -2.412 -2.522 219 HA LEU 34 HA LEU 34 6.960 -3.956 -0.688 220 1HB LEU 34 HB2 LEU 34 6.083 -3.211 -3.473 221 2HB LEU 34 HB1 LEU 34 5.024 -3.798 -2.210 222 HG LEU 34 HG LEU 34 4.639 -1.565 -1.984 223 H ILE 35 HN ILE 35 7.677 -5.991 -0.399 224 HA ILE 35 HA ILE 35 8.151 -7.841 -2.512 225 HB ILE 35 HB ILE 35 7.789 -8.233 0.458 226 H SER 36 HN SER 36 6.346 -8.078 -3.793 227 HA SER 36 HA SER 36 4.290 -8.806 -4.463 228 1HB SER 36 HB2 SER 36 5.372 -10.793 -2.951 229 2HB SER 36 HB1 SER 36 3.874 -10.499 -2.066 230 HG SER 36 HG SER 36 3.701 -12.072 -3.784 231 HA PRO 37 HA PRO 37 1.822 -6.166 -1.736 232 1HB PRO 37 HB2 PRO 37 1.159 -4.410 -3.739 233 2HB PRO 37 HB1 PRO 37 2.623 -4.297 -2.761 234 1HG PRO 37 HG2 PRO 37 2.398 -4.922 -5.565 235 2HG PRO 37 HG1 PRO 37 3.863 -4.719 -4.604 236 1HD PRO 37 HD2 PRO 37 2.461 -7.173 -5.429 237 2HD PRO 37 HD1 PRO 37 4.150 -6.943 -4.938 238 H HIS 38 HN HIS 38 -0.316 -6.262 -1.346 239 HA HIS 38 HA HIS 38 -2.150 -7.005 -3.511 240 1HB HIS 38 HB2 HIS 38 -1.532 -8.563 -1.145 241 2HB HIS 38 HB1 HIS 38 -3.238 -8.193 -1.251 242 HD1 HIS 38 HD1 HIS 38 -0.905 -10.658 -2.251 243 HD2 HIS 38 HD2 HIS 38 -4.234 -8.911 -4.014 244 HE1 HIS 38 HE1 HIS 38 -1.667 -12.285 -4.012 245 HE2 HIS 38 HE2 HIS 38 -3.614 -11.156 -5.141 246 H PHE 39 HN PHE 39 -4.452 -6.756 -2.762 247 HA PHE 39 HA PHE 39 -4.880 -4.822 -0.676 248 1HB PHE 39 HB2 PHE 39 -4.708 -4.000 -3.447 249 2HB PHE 39 HB1 PHE 39 -6.283 -3.647 -2.753 250 HD1 PHE 39 HD1 PHE 39 -6.614 -1.861 -1.303 251 HD2 PHE 39 HD2 PHE 39 -2.661 -3.131 -2.231 252 HE1 PHE 39 HE1 PHE 39 -5.716 0.130 -0.174 253 HE2 PHE 39 HE2 PHE 39 -1.753 -1.142 -1.101 254 HZ PHE 39 HZ PHE 39 -3.283 0.491 -0.069 255 H VAL 40 HN VAL 40 -6.297 -6.097 0.384 256 HA VAL 40 HA VAL 40 -8.476 -7.359 -1.054 257 HB VAL 40 HB VAL 40 -7.814 -7.396 1.898 258 H LEU 41 HN LEU 41 -9.975 -5.886 -1.621 259 HA LEU 41 HA LEU 41 -10.881 -3.965 0.405 260 1HB LEU 41 HB2 LEU 41 -11.662 -2.577 -1.376 261 2HB LEU 41 HB1 LEU 41 -10.000 -3.018 -1.694 262 HG LEU 41 HG LEU 41 -12.337 -4.394 -2.982 263 H ASN 42 HN ASN 42 -13.038 -3.682 0.878 264 HA ASN 42 HA ASN 42 -15.021 -5.233 -0.530 265 1HB ASN 42 HB2 ASN 42 -14.756 -5.674 2.438 266 2HB ASN 42 HB1 ASN 42 -15.820 -6.510 1.314 267 H LYS 43 HN LYS 43 -17.228 -4.887 0.419 268 HA LYS 43 HA LYS 43 -17.483 -2.187 1.593 269 1HB LYS 43 HB2 LYS 43 -18.279 -1.622 -0.462 270 2HB LYS 43 HB1 LYS 43 -18.597 -3.287 -0.915 271 1HG LYS 43 HG2 LYS 43 -20.663 -3.245 0.439 272 2HG LYS 43 HG1 LYS 43 -20.352 -1.556 0.834 273 1HD LYS 43 HD2 LYS 43 -20.188 -1.425 -1.847 274 2HD LYS 43 HD1 LYS 43 -21.315 -2.773 -1.685 275 1HE LYS 43 HE2 LYS 43 -21.925 -0.526 0.077 276 2HE LYS 43 HE1 LYS 43 -21.976 -0.107 -1.634 277 1HZ LYS 43 HZ1 LYS 43 -24.060 -0.896 -1.451 278 2HZ LYS 43 HZ2 LYS 43 -23.715 -1.855 -0.102 279 3HZ LYS 43 HZ3 LYS 43 -23.315 -2.403 -1.651 280 H VAL 44 HN VAL 44 -19.715 -1.842 2.474 281 HA VAL 44 HA VAL 44 -21.309 -4.103 3.124 282 HB VAL 44 HB VAL 44 -21.102 -3.670 5.612 283 HA PRO 45 HA PRO 45 -24.604 -1.233 3.477 284 1HB PRO 45 HB2 PRO 45 -25.118 -2.303 6.214 285 2HB PRO 45 HB1 PRO 45 -26.237 -2.086 4.863 286 1HG PRO 45 HG2 PRO 45 -25.313 -4.504 5.478 287 2HG PRO 45 HG1 PRO 45 -25.521 -4.014 3.788 288 1HD PRO 45 HD2 PRO 45 -23.023 -4.282 5.390 289 2HD PRO 45 HD1 PRO 45 -23.295 -4.575 3.660 290 H ASN 46 HN ASN 46 -22.786 -1.584 6.508 291 HA ASN 46 HA ASN 46 -23.373 1.112 7.326 292 1HB ASN 46 HB2 ASN 46 -22.268 -1.270 8.536 293 2HB ASN 46 HB1 ASN 46 -21.292 0.142 8.928 294 H GLY 47 HN GLY 47 -21.385 0.143 4.946 295 1HA GLY 47 HA2 GLY 47 -20.060 2.319 4.332 296 2HA GLY 47 HA1 GLY 47 -19.121 1.802 5.718 297 H PHE 48 HN PHE 48 -17.337 1.611 4.418 298 HA PHE 48 HA PHE 48 -17.293 -0.728 2.652 299 1HB PHE 48 HB2 PHE 48 -15.846 1.880 2.475 300 2HB PHE 48 HB1 PHE 48 -15.228 0.469 1.680 301 HD1 PHE 48 HD1 PHE 48 -17.869 2.982 1.707 302 HD2 PHE 48 HD2 PHE 48 -16.312 -0.455 -0.249 303 HE1 PHE 48 HE1 PHE 48 -19.277 3.463 -0.253 304 HE2 PHE 48 HE2 PHE 48 -17.717 0.012 -2.210 305 HZ PHE 48 HZ PHE 48 -19.196 1.971 -2.216 306 H SER 49 HN SER 49 -16.020 -2.353 3.302 307 HA SER 49 HA SER 49 -14.054 -1.798 5.401 308 1HB SER 49 HB2 SER 49 -14.240 -4.583 4.998 309 2HB SER 49 HB1 SER 49 -14.806 -3.652 6.375 310 HG SER 49 HG SER 49 -16.769 -3.305 5.124 311 H VAL 50 HN VAL 50 -12.066 -1.702 4.834 312 HA VAL 50 HA VAL 50 -11.184 -3.112 2.402 313 HB VAL 50 HB VAL 50 -11.488 -0.677 2.038 314 H GLU 51 HN GLU 51 -9.060 -3.878 2.374 315 HA GLU 51 HA GLU 51 -7.358 -3.516 4.695 316 1HB GLU 51 HB2 GLU 51 -8.669 -5.349 5.490 317 2HB GLU 51 HB1 GLU 51 -8.565 -6.171 3.948 318 1HG GLU 51 HG2 GLU 51 -6.025 -6.242 4.413 319 2HG GLU 51 HG1 GLU 51 -6.493 -5.903 6.078 320 H ALA 52 HN ALA 52 -5.318 -3.398 4.078 321 HA ALA 52 HA ALA 52 -4.612 -4.397 1.399 322 1HB ALA 52 HB1 ALA 52 -4.369 -2.034 1.472 323 2HB ALA 52 HB2 ALA 52 -2.745 -2.718 1.534 324 3HB ALA 52 HB3 ALA 52 -3.499 -2.105 3.005 325 H SER 53 HN SER 53 -2.534 -5.359 1.092 326 HA SER 53 HA SER 53 -1.030 -6.105 3.460 327 1HB SER 53 HB2 SER 53 -2.099 -8.258 1.633 328 2HB SER 53 HB1 SER 53 -1.198 -8.472 3.132 329 HG SER 53 HG SER 53 -3.049 -7.308 4.122 330 H ILE 54 HN ILE 54 0.893 -5.375 2.847 331 HA ILE 54 HA ILE 54 1.964 -6.277 0.251 332 HB ILE 54 HB ILE 54 3.022 -3.828 1.633 333 H GLY 55 HN GLY 55 4.559 -6.082 0.419 334 1HA GLY 55 HA2 GLY 55 5.351 -7.214 3.009 335 2HA GLY 55 HA1 GLY 55 5.826 -7.972 1.510 336 H THR 56 HN THR 56 7.469 -6.962 3.607 337 HA THR 56 HA THR 56 9.195 -5.281 1.992 338 HB THR 56 HB THR 56 9.304 -3.458 3.331 339 HG1 THR 56 HG1 THR 56 8.394 -4.581 5.698 340 HA PRO 57 HA PRO 57 12.287 -8.041 3.602 341 1HB PRO 57 HB2 PRO 57 14.066 -5.668 3.667 342 2HB PRO 57 HB1 PRO 57 14.304 -7.231 2.882 343 1HG PRO 57 HG2 PRO 57 13.704 -5.014 1.494 344 2HG PRO 57 HG1 PRO 57 13.135 -6.617 1.002 345 1HD PRO 57 HD2 PRO 57 11.649 -4.373 2.253 346 2HD PRO 57 HD1 PRO 57 11.086 -5.636 1.140 347 H LEU 58 HN LEU 58 11.291 -5.080 5.103 348 HA LEU 58 HA LEU 58 12.737 -5.701 7.561 349 1HB LEU 58 HB2 LEU 58 10.917 -3.380 7.485 350 2HB LEU 58 HB1 LEU 58 12.533 -3.519 8.145 351 HG LEU 58 HG LEU 58 11.857 -3.191 5.218 352 H GLY 59 HN GLY 59 9.565 -5.869 6.194 353 1HA GLY 59 HA2 GLY 59 8.506 -7.620 8.007 354 2HA GLY 59 HA1 GLY 59 8.140 -6.045 8.672 355 H ASN 60 HN ASN 60 6.545 -8.327 7.374 356 HA ASN 60 HA ASN 60 5.453 -7.468 4.959 357 1HB ASN 60 HB2 ASN 60 4.159 -9.051 7.184 358 2HB ASN 60 HB1 ASN 60 3.521 -8.901 5.553 359 H LEU 61 HN LEU 61 3.834 -6.095 4.402 360 HA LEU 61 HA LEU 61 2.877 -4.294 6.501 361 1HB LEU 61 HB2 LEU 61 2.811 -4.070 3.494 362 2HB LEU 61 HB1 LEU 61 2.104 -2.894 4.579 363 HG LEU 61 HG LEU 61 4.970 -3.475 5.011 364 H LEU 62 HN LEU 62 0.779 -4.078 7.031 365 HA LEU 62 HA LEU 62 -1.302 -5.194 5.371 366 1HB LEU 62 HB2 LEU 62 -1.174 -6.104 8.225 367 2HB LEU 62 HB1 LEU 62 -2.222 -6.683 6.952 368 HG LEU 62 HG LEU 62 0.760 -7.099 6.894 369 H ALA 63 HN ALA 63 -3.309 -4.347 5.819 370 HA ALA 63 HA ALA 63 -3.708 -2.606 8.085 371 1HB ALA 63 HB1 ALA 63 -4.264 -0.632 6.649 372 2HB ALA 63 HB2 ALA 63 -3.527 -1.487 5.294 373 3HB ALA 63 HB3 ALA 63 -2.552 -1.050 6.695 374 H SER 64 HN SER 64 -5.911 -1.717 8.137 375 HA SER 64 HA SER 64 -7.871 -2.675 6.297 376 1HB SER 64 HB2 SER 64 -9.032 -3.950 8.341 377 2HB SER 64 HB1 SER 64 -7.936 -4.766 7.224 378 HG SER 64 HG SER 64 -7.399 -3.789 9.822 379 H ALA 65 HN ALA 65 -9.626 -1.395 6.372 380 HA ALA 65 HA ALA 65 -10.340 -0.047 8.852 381 1HB ALA 65 HB1 ALA 65 -9.551 1.438 6.353 382 2HB ALA 65 HB2 ALA 65 -8.782 1.519 7.940 383 3HB ALA 65 HB3 ALA 65 -10.406 2.169 7.712 384 H THR 66 HN THR 66 -12.459 0.608 8.967 385 HA THR 66 HA THR 66 -14.169 -0.052 6.659 386 HB THR 66 HB THR 66 -14.765 -0.485 9.594 387 HG1 THR 66 HG1 THR 66 -13.749 -2.268 9.153 388 H SER 67 HN SER 67 -15.297 1.665 5.927 389 HA SER 67 HA SER 67 -16.490 3.536 7.744 390 1HB SER 67 HB2 SER 67 -13.877 4.105 6.720 391 2HB SER 67 HB1 SER 67 -15.022 5.244 6.026 392 HG SER 67 HG SER 67 -14.212 4.916 8.660 393 H ASP 68 HN ASP 68 -17.795 5.159 6.638 394 HA ASP 68 HA ASP 68 -19.068 4.044 4.321 395 1HB ASP 68 HB2 ASP 68 -19.944 5.603 6.378 396 2HB ASP 68 HB1 ASP 68 -19.769 6.802 5.099 397 H ASP 69 HN ASP 69 -16.277 5.711 4.605 398 HA ASP 69 HA ASP 69 -16.670 7.144 2.068 399 1HB ASP 69 HB2 ASP 69 -14.972 7.732 4.471 400 2HB ASP 69 HB1 ASP 69 -14.534 8.380 2.891 401 H MET 70 HN MET 70 -16.177 5.479 0.715 402 HA MET 70 HA MET 70 -14.394 3.501 0.727 403 1HB MET 70 HB2 MET 70 -15.664 3.587 -1.173 404 2HB MET 70 HB1 MET 70 -15.422 5.305 -1.393 405 1HG MET 70 HG2 MET 70 -13.804 4.960 -2.860 406 2HG MET 70 HG1 MET 70 -12.948 3.880 -1.762 407 1HE MET 70 HE1 MET 70 -12.290 1.677 -2.643 408 2HE MET 70 HE2 MET 70 -13.540 0.470 -2.961 409 3HE MET 70 HE3 MET 70 -13.554 1.373 -1.442 410 H TYR 71 HN TYR 71 -13.457 6.464 -0.970 411 HA TYR 71 HA TYR 71 -10.740 5.794 -0.992 412 1HB TYR 71 HB2 TYR 71 -12.299 8.214 -1.702 413 2HB TYR 71 HB1 TYR 71 -10.558 8.401 -1.471 414 HD1 TYR 71 HD1 TYR 71 -11.663 5.148 -2.541 415 HD2 TYR 71 HD2 TYR 71 -10.474 8.986 -3.943 416 HE1 TYR 71 HE1 TYR 71 -11.246 4.185 -4.742 417 HE2 TYR 71 HE2 TYR 71 -10.066 8.037 -6.177 418 HH TYR 71 HH TYR 71 -9.647 5.952 -7.248 419 H LYS 72 HN LYS 72 -12.616 7.121 1.526 420 HA LYS 72 HA LYS 72 -10.381 8.330 2.896 421 1HB LYS 72 HB2 LYS 72 -12.724 9.084 3.228 422 2HB LYS 72 HB1 LYS 72 -13.019 7.547 4.006 423 1HG LYS 72 HG2 LYS 72 -12.357 8.387 5.938 424 2HG LYS 72 HG1 LYS 72 -10.758 8.667 5.246 425 1HD LYS 72 HD2 LYS 72 -11.762 10.812 4.270 426 2HD LYS 72 HD1 LYS 72 -13.096 10.548 5.395 427 1HE LYS 72 HE2 LYS 72 -11.580 12.012 6.477 428 2HE LYS 72 HE1 LYS 72 -11.377 10.431 7.230 429 1HZ LYS 72 HZ1 LYS 72 -9.216 10.875 6.858 430 2HZ LYS 72 HZ2 LYS 72 -9.524 11.959 5.598 431 3HZ LYS 72 HZ3 LYS 72 -9.551 10.294 5.304 432 H ALA 73 HN ALA 73 -12.225 5.334 2.901 433 HA ALA 73 HA ALA 73 -11.007 4.092 5.125 434 1HB ALA 73 HB1 ALA 73 -11.772 2.358 2.852 435 2HB ALA 73 HB2 ALA 73 -13.052 3.398 3.476 436 3HB ALA 73 HB3 ALA 73 -12.236 2.261 4.551 437 H ILE 74 HN ILE 74 -10.365 4.178 1.677 438 HA ILE 74 HA ILE 74 -7.969 2.641 1.698 439 HB ILE 74 HB ILE 74 -9.257 4.559 -0.223 440 H ASN 75 HN ASN 75 -8.863 5.980 2.083 441 HA ASN 75 HA ASN 75 -6.382 7.239 2.116 442 1HB ASN 75 HB2 ASN 75 -8.916 8.034 2.262 443 2HB ASN 75 HB1 ASN 75 -8.573 8.102 3.980 444 H GLU 76 HN GLU 76 -8.215 5.508 4.546 445 HA GLU 76 HA GLU 76 -6.436 6.030 6.721 446 1HB GLU 76 HB2 GLU 76 -8.982 4.830 6.355 447 2HB GLU 76 HB1 GLU 76 -7.949 3.621 7.110 448 1HG GLU 76 HG2 GLU 76 -8.039 6.396 8.202 449 2HG GLU 76 HG1 GLU 76 -9.325 5.251 8.580 450 H VAL 77 HN VAL 77 -7.097 3.099 4.766 451 HA VAL 77 HA VAL 77 -5.207 1.389 5.769 452 HB VAL 77 HB VAL 77 -5.664 1.641 2.805 453 H GLU 78 HN GLU 78 -4.757 3.706 3.109 454 HA GLU 78 HA GLU 78 -2.078 3.220 2.626 455 1HB GLU 78 HB2 GLU 78 -3.867 4.864 1.510 456 2HB GLU 78 HB1 GLU 78 -3.015 6.045 2.497 457 1HG GLU 78 HG2 GLU 78 -1.596 4.191 0.612 458 2HG GLU 78 HG1 GLU 78 -2.222 5.762 0.115 459 H GLU 79 HN GLU 79 -3.627 5.094 5.128 460 HA GLU 79 HA GLU 79 -1.268 6.371 6.086 461 1HB GLU 79 HB2 GLU 79 -3.906 6.760 6.536 462 2HB GLU 79 HB1 GLU 79 -3.486 5.854 7.982 463 1HG GLU 79 HG2 GLU 79 -2.247 8.432 7.049 464 2HG GLU 79 HG1 GLU 79 -3.335 8.214 8.418 465 H LYS 80 HN LYS 80 -3.074 3.459 7.023 466 HA LYS 80 HA LYS 80 -1.374 2.781 9.191 467 1HB LYS 80 HB2 LYS 80 -3.727 1.744 8.050 468 2HB LYS 80 HB1 LYS 80 -2.547 0.449 7.945 469 1HG LYS 80 HG2 LYS 80 -2.123 0.645 10.346 470 2HG LYS 80 HG1 LYS 80 -3.325 1.932 10.446 471 1HD LYS 80 HD2 LYS 80 -5.081 0.432 9.819 472 2HD LYS 80 HD1 LYS 80 -3.925 -0.848 9.448 473 1HE LYS 80 HE2 LYS 80 -3.220 -0.686 11.893 474 2HE LYS 80 HE1 LYS 80 -4.683 0.267 12.133 475 1HZ LYS 80 HZ1 LYS 80 -4.755 -2.265 12.510 476 2HZ LYS 80 HZ2 LYS 80 -4.835 -2.366 10.823 477 3HZ LYS 80 HZ3 LYS 80 -6.031 -1.529 11.676 478 H LEU 81 HN LEU 81 -1.522 1.723 5.810 479 HA LEU 81 HA LEU 81 0.661 -0.040 5.898 480 1HB LEU 81 HB2 LEU 81 -1.127 0.972 3.931 481 2HB LEU 81 HB1 LEU 81 0.499 1.207 3.320 482 HG LEU 81 HG LEU 81 -0.751 -0.967 2.729 483 H GLU 82 HN GLU 82 0.482 3.434 5.112 484 HA GLU 82 HA GLU 82 3.238 3.719 4.511 485 1HB GLU 82 HB2 GLU 82 1.454 5.351 3.897 486 2HB GLU 82 HB1 GLU 82 1.353 5.823 5.583 487 1HG GLU 82 HG2 GLU 82 4.043 5.914 4.421 488 2HG GLU 82 HG1 GLU 82 2.885 7.054 3.736 489 H ARG 83 HN ARG 83 1.364 4.543 7.419 490 HA ARG 83 HA ARG 83 3.408 5.346 9.087 491 1HB ARG 83 HB2 ARG 83 1.003 5.402 9.688 492 2HB ARG 83 HB1 ARG 83 1.024 3.653 9.873 493 1HG ARG 83 HG2 ARG 83 2.026 3.742 11.886 494 2HG ARG 83 HG1 ARG 83 3.034 5.122 11.443 495 1HD ARG 83 HD2 ARG 83 1.459 5.751 13.177 496 2HD ARG 83 HD1 ARG 83 1.092 6.602 11.676 497 HE ARG 83 HE ARG 83 -0.443 4.264 11.765 498 1HH1 ARG 83 HH11 ARG 83 -0.173 7.319 13.428 499 2HH1 ARG 83 HH12 ARG 83 -1.847 7.371 13.867 500 1HH2 ARG 83 HH21 ARG 83 -2.645 4.329 12.340 501 2HH2 ARG 83 HH22 ARG 83 -3.251 5.672 13.250 502 H GLN 84 HN GLN 84 2.270 2.066 8.407 503 HA GLN 84 HA GLN 84 4.059 0.717 10.122 504 1HB GLN 84 HB2 GLN 84 2.607 -0.139 7.620 505 2HB GLN 84 HB1 GLN 84 3.614 -1.239 8.555 506 1HG GLN 84 HG2 GLN 84 2.181 -1.165 10.393 507 2HG GLN 84 HG1 GLN 84 1.365 0.281 9.804 508 H LEU 85 HN LEU 85 4.245 1.765 6.750 509 HA LEU 85 HA LEU 85 6.665 0.576 6.027 510 1HB LEU 85 HB2 LEU 85 4.979 2.728 5.049 511 2HB LEU 85 HB1 LEU 85 6.676 3.108 4.833 512 HG LEU 85 HG LEU 85 5.733 0.430 3.940 513 H ASN 86 HN ASN 86 6.012 3.769 7.420 514 HA ASN 86 HA ASN 86 8.667 4.594 7.747 515 1HB ASN 86 HB2 ASN 86 6.333 5.842 8.079 516 2HB ASN 86 HB1 ASN 86 6.623 5.412 9.763 517 H LYS 87 HN LYS 87 6.522 2.683 9.794 518 HA LYS 87 HA LYS 87 8.143 2.567 12.091 519 1HB LYS 87 HB2 LYS 87 5.741 1.361 11.195 520 2HB LYS 87 HB1 LYS 87 6.825 0.046 11.642 521 1HG LYS 87 HG2 LYS 87 7.178 1.564 13.784 522 2HG LYS 87 HG1 LYS 87 5.574 2.142 13.329 523 1HD LYS 87 HD2 LYS 87 5.247 -0.541 13.090 524 2HD LYS 87 HD1 LYS 87 6.413 -0.460 14.411 525 1HE LYS 87 HE2 LYS 87 4.119 -0.463 15.249 526 2HE LYS 87 HE1 LYS 87 4.942 1.047 15.635 527 1HZ LYS 87 HZ1 LYS 87 3.603 2.230 14.276 528 2HZ LYS 87 HZ2 LYS 87 2.524 0.965 14.583 529 3HZ LYS 87 HZ3 LYS 87 3.422 0.980 13.150 530 H LEU 88 HN LEU 88 7.876 0.321 9.335 531 HA LEU 88 HA LEU 88 9.869 -1.462 10.084 532 1HB LEU 88 HB2 LEU 88 8.785 -0.578 7.440 533 2HB LEU 88 HB1 LEU 88 10.208 -1.587 7.468 534 HG LEU 88 HG LEU 88 9.048 -3.457 8.028 535 H GLN 89 HN GLN 89 10.091 1.485 8.130 536 HA GLN 89 HA GLN 89 12.893 1.391 7.752 537 1HB GLN 89 HB2 GLN 89 10.998 3.749 7.705 538 2HB GLN 89 HB1 GLN 89 12.667 3.800 7.159 539 1HG GLN 89 HG2 GLN 89 12.204 2.286 5.374 540 2HG GLN 89 HG1 GLN 89 10.580 1.981 5.984 541 H HIS 90 HN HIS 90 10.856 2.521 10.328 542 HA HIS 90 HA HIS 90 12.811 4.104 11.674 543 1HB HIS 90 HB2 HIS 90 10.169 2.906 12.480 544 2HB HIS 90 HB1 HIS 90 11.171 3.771 13.629 545 HD1 HIS 90 HD1 HIS 90 12.068 5.982 11.481 546 HD2 HIS 90 HD2 HIS 90 8.185 4.862 12.450 547 HE1 HIS 90 HE1 HIS 90 10.626 7.948 10.861 548 HE2 HIS 90 HE2 HIS 90 8.294 7.280 11.538 549 H LYS 91 HN LYS 91 11.407 0.905 12.324 550 HA LYS 91 HA LYS 91 12.898 0.205 14.516 551 1HB LYS 91 HB2 LYS 91 11.460 -1.278 12.405 552 2HB LYS 91 HB1 LYS 91 12.652 -2.205 13.305 553 1HG LYS 91 HG2 LYS 91 11.109 -0.698 15.157 554 2HG LYS 91 HG1 LYS 91 10.011 -1.529 14.054 555 1HD LYS 91 HD2 LYS 91 10.514 -3.551 14.893 556 2HD LYS 91 HD1 LYS 91 12.238 -3.183 14.992 557 1HE LYS 91 HE2 LYS 91 11.498 -1.656 16.979 558 2HE LYS 91 HE1 LYS 91 10.072 -2.693 16.989 559 1HZ LYS 91 HZ1 LYS 91 12.317 -3.240 18.317 560 2HZ LYS 91 HZ2 LYS 91 12.616 -4.077 16.879 561 3HZ LYS 91 HZ3 LYS 91 11.233 -4.425 17.786 562 H SER 92 HN SER 92 13.604 -1.329 11.394 563 HA SER 92 HA SER 92 15.554 -1.985 10.425 564 1HB SER 92 HB2 SER 92 15.815 0.727 10.994 565 2HB SER 92 HB1 SER 92 17.312 0.018 11.601 566 HG SER 92 HG SER 92 17.361 -1.074 9.458 567 H GLU 93 HN GLU 93 18.039 -2.355 10.989 568 HA GLU 93 HA GLU 93 18.774 -2.846 13.658 569 1HB GLU 93 HB2 GLU 93 17.010 -4.573 13.494 570 2HB GLU 93 HB1 GLU 93 17.868 -5.302 12.144 571 1HG GLU 93 HG2 GLU 93 19.846 -5.457 13.809 572 2HG GLU 93 HG1 GLU 93 18.598 -5.244 15.037 573 H SER 94 HN SER 94 19.128 -4.716 10.639 574 HA SER 94 HA SER 94 21.684 -3.682 10.018 575 1HB SER 94 HB2 SER 94 23.083 -5.606 10.550 576 2HB SER 94 HB1 SER 94 22.319 -5.002 12.022 577 HG SER 94 HG SER 94 22.067 -7.425 10.796 578 H ARG 95 HN ARG 95 22.233 -4.182 7.957 579 HA ARG 95 HA ARG 95 20.344 -5.370 6.265 580 1HB ARG 95 HB2 ARG 95 23.242 -4.644 5.899 581 2HB ARG 95 HB1 ARG 95 22.312 -5.390 4.606 582 1HG ARG 95 HG2 ARG 95 20.761 -3.540 4.600 583 2HG ARG 95 HG1 ARG 95 21.582 -2.811 5.981 584 1HD ARG 95 HD2 ARG 95 23.167 -1.909 4.690 585 2HD ARG 95 HD1 ARG 95 23.392 -3.401 3.781 586 HE ARG 95 HE ARG 95 21.017 -2.337 2.889 587 1HH1 ARG 95 HH11 ARG 95 24.348 -1.306 3.018 588 2HH1 ARG 95 HH12 ARG 95 24.228 -0.320 1.599 589 1HH2 ARG 95 HH21 ARG 95 20.858 -1.043 1.023 590 2HH2 ARG 95 HH22 ARG 95 22.246 -0.171 0.467 591 H ARG 96 HN ARG 96 23.615 -6.589 7.019 592 HA ARG 96 HA ARG 96 24.459 -8.695 7.155 593 1HB ARG 96 HB2 ARG 96 22.272 -8.782 8.684 594 2HB ARG 96 HB1 ARG 96 21.768 -9.930 7.451 595 1HG ARG 96 HG2 ARG 96 22.801 -11.433 8.741 596 2HG ARG 96 HG1 ARG 96 24.274 -10.814 7.992 597 1HD ARG 96 HD2 ARG 96 24.058 -9.041 9.965 598 2HD ARG 96 HD1 ARG 96 23.195 -10.379 10.723 599 HE ARG 96 HE ARG 96 25.180 -11.512 10.925 600 1HH1 ARG 96 HH11 ARG 96 25.625 -8.798 8.776 601 2HH1 ARG 96 HH12 ARG 96 27.348 -8.962 8.723 602 1HH2 ARG 96 HH21 ARG 96 27.445 -11.731 10.855 603 2HH2 ARG 96 HH22 ARG 96 28.381 -10.628 9.901 604 H ALA 97 HN ALA 97 24.867 -10.503 5.862 605 HA ALA 97 HA ALA 97 23.235 -10.696 3.417 606 1HB ALA 97 HB1 ALA 97 26.096 -10.174 3.713 607 2HB ALA 97 HB2 ALA 97 25.017 -9.859 2.355 608 3HB ALA 97 HB3 ALA 97 25.714 -11.464 2.573 609 H ASP 98 HN ASP 98 25.318 -12.364 5.716 610 HA ASP 98 HA ASP 98 25.015 -14.928 4.502 611 1HB ASP 98 HB2 ASP 98 25.848 -15.695 6.855 612 2HB ASP 98 HB1 ASP 98 26.944 -14.832 5.782 613 H GLU 99 HN GLU 99 23.886 -13.838 7.702 614 HA GLU 99 HA GLU 99 21.203 -14.474 7.381 615 1HB GLU 99 HB2 GLU 99 22.638 -16.807 7.348 616 2HB GLU 99 HB1 GLU 99 22.217 -16.675 9.049 617 1HG GLU 99 HG2 GLU 99 19.838 -16.384 8.359 618 2HG GLU 99 HG1 GLU 99 20.335 -16.741 6.705 619 H ARG 100 HN ARG 100 20.093 -14.834 9.575 620 HA ARG 100 HA ARG 100 21.548 -13.278 11.611 621 1HB ARG 100 HB2 ARG 100 19.319 -12.527 12.396 622 2HB ARG 100 HB1 ARG 100 19.669 -12.027 10.747 623 1HG ARG 100 HG2 ARG 100 18.011 -13.276 9.872 624 2HG ARG 100 HG1 ARG 100 18.232 -14.583 11.036 625 1HD ARG 100 HD2 ARG 100 17.310 -12.271 12.425 626 2HD ARG 100 HD1 ARG 100 16.268 -12.539 11.028 627 HE ARG 100 HE ARG 100 16.458 -14.999 12.129 628 1HH1 ARG 100 HH11 ARG 100 15.631 -11.868 13.431 629 2HH1 ARG 100 HH12 ARG 100 14.576 -12.513 14.643 630 1HH2 ARG 100 HH21 ARG 100 15.070 -15.848 13.723 631 2HH2 ARG 100 HH22 ARG 100 14.257 -14.771 14.809 632 H LEU 101 HN LEU 101 21.593 -16.180 11.271 633 HA LEU 101 HA LEU 101 21.533 -18.056 12.552 634 1HB LEU 101 HB2 LEU 101 22.238 -16.138 14.250 635 2HB LEU 101 HB1 LEU 101 20.686 -16.532 14.964 636 HG LEU 101 HG LEU 101 22.390 -17.769 16.111 637 H LYS 102 HN LYS 102 19.952 -19.467 12.241 638 HA LYS 102 HA LYS 102 17.424 -19.166 13.600 639 1HB LYS 102 HB2 LYS 102 17.705 -18.794 10.662 640 2HB LYS 102 HB1 LYS 102 16.327 -19.729 11.227 641 1HG LYS 102 HG2 LYS 102 15.639 -17.855 12.641 642 2HG LYS 102 HG1 LYS 102 17.014 -16.916 12.054 643 1HD LYS 102 HD2 LYS 102 16.058 -16.531 10.029 644 2HD LYS 102 HD1 LYS 102 15.228 -18.089 10.006 645 1HE LYS 102 HE2 LYS 102 13.553 -17.282 11.524 646 2HE LYS 102 HE1 LYS 102 14.432 -15.773 11.763 647 1HZ LYS 102 HZ1 LYS 102 12.955 -16.683 9.372 648 2HZ LYS 102 HZ2 LYS 102 14.127 -15.469 9.265 649 3HZ LYS 102 HZ3 LYS 102 12.768 -15.246 10.247 650 H ASP 103 HN ASP 103 16.747 -21.097 14.271 651 HA ASP 103 HA ASP 103 17.748 -23.488 12.868 652 1HB ASP 103 HB2 ASP 103 17.937 -22.717 15.680 653 2HB ASP 103 HB1 ASP 103 17.230 -24.315 15.463 654 H SER 104 HN SER 104 15.244 -22.059 12.454 655 HA SER 104 HA SER 104 13.044 -22.513 12.105 656 1HB SER 104 HB2 SER 104 14.309 -24.832 11.540 657 2HB SER 104 HB1 SER 104 13.265 -25.372 12.856 658 HG SER 104 HG SER 104 11.978 -25.577 11.143 659 H PHE 105 HN PHE 105 11.053 -22.870 13.201 660 HA PHE 105 HA PHE 105 10.992 -23.845 15.890 661 1HB PHE 105 HB2 PHE 105 10.282 -21.675 16.911 662 2HB PHE 105 HB1 PHE 105 11.970 -21.708 16.413 663 HD1 PHE 105 HD1 PHE 105 8.973 -19.883 16.306 664 HD2 PHE 105 HD2 PHE 105 12.444 -20.779 14.013 665 HE1 PHE 105 HE1 PHE 105 8.615 -17.844 14.976 666 HE2 PHE 105 HE2 PHE 105 12.093 -18.741 12.679 667 HZ PHE 105 HZ PHE 105 10.177 -17.270 13.161 668 H GLU 106 HN GLU 106 8.977 -24.477 16.424 669 HA GLU 106 HA GLU 106 6.894 -24.152 14.450 670 1HB GLU 106 HB2 GLU 106 7.403 -25.901 16.766 671 2HB GLU 106 HB1 GLU 106 5.712 -25.497 16.509 672 1HG GLU 106 HG2 GLU 106 5.768 -27.299 15.176 673 2HG GLU 106 HG1 GLU 106 6.405 -26.149 14.002 674 H ASN 107 HN ASN 107 7.654 -22.945 17.639 675 HA ASN 107 HA ASN 107 5.548 -20.962 17.380 676 1HB ASN 107 HB2 ASN 107 4.866 -23.173 18.750 677 2HB ASN 107 HB1 ASN 107 5.640 -22.266 20.046 Start of MODEL 9 1 1H MET 1 HT1 MET 1 6.387 -5.109 -9.071 2 2H MET 1 HT2 MET 1 7.724 -4.925 -8.010 3 3H MET 1 HT3 MET 1 6.806 -3.554 -8.485 4 HA MET 1 HA MET 1 5.922 -5.808 -6.813 5 1HB MET 1 HB2 MET 1 6.263 -2.861 -6.215 6 2HB MET 1 HB1 MET 1 5.801 -4.113 -5.069 7 1HG MET 1 HG2 MET 1 7.999 -3.947 -4.559 8 2HG MET 1 HG1 MET 1 8.103 -5.158 -5.835 9 1HE MET 1 HE1 MET 1 8.183 -1.576 -4.849 10 2HE MET 1 HE2 MET 1 7.736 -1.016 -6.461 11 3HE MET 1 HE3 MET 1 9.390 -0.809 -5.883 12 H THR 2 HN THR 2 4.475 -5.611 -9.043 13 HA THR 2 HA THR 2 2.492 -3.677 -9.233 14 HB THR 2 HB THR 2 1.133 -5.645 -10.261 15 HG1 THR 2 HG1 THR 2 2.499 -7.408 -10.807 16 H LEU 3 HN LEU 3 0.901 -3.108 -7.913 17 HA LEU 3 HA LEU 3 0.272 -4.661 -5.589 18 1HB LEU 3 HB2 LEU 3 0.287 -2.255 -5.441 19 2HB LEU 3 HB1 LEU 3 -0.927 -2.128 -6.701 20 HG LEU 3 HG LEU 3 -1.564 -3.597 -4.170 21 H ASN 4 HN ASN 4 -0.957 -6.396 -5.680 22 HA ASN 4 HA ASN 4 -3.015 -6.653 -7.721 23 1HB ASN 4 HB2 ASN 4 -2.200 -8.648 -5.609 24 2HB ASN 4 HB1 ASN 4 -3.147 -8.965 -7.058 25 H ILE 5 HN ILE 5 -5.153 -7.505 -7.127 26 HA ILE 5 HA ILE 5 -6.068 -6.487 -4.517 27 HB ILE 5 HB ILE 5 -8.309 -6.378 -6.148 28 H THR 6 HN THR 6 -8.332 -7.376 -4.005 29 HA THR 6 HA THR 6 -9.005 -9.950 -5.054 30 HB THR 6 HB THR 6 -7.935 -9.847 -2.228 31 HG1 THR 6 HG1 THR 6 -6.105 -10.017 -3.247 32 H SER 7 HN SER 7 -10.363 -7.509 -4.726 33 HA SER 7 HA SER 7 -11.940 -7.260 -2.460 34 1HB SER 7 HB2 SER 7 -13.000 -6.697 -5.220 35 2HB SER 7 HB1 SER 7 -13.318 -5.832 -3.720 36 HG SER 7 HG SER 7 -11.796 -4.563 -4.430 37 H LYS 8 HN LYS 8 -13.283 -8.644 -1.547 38 HA LYS 8 HA LYS 8 -14.160 -11.018 -2.773 39 1HB LYS 8 HB2 LYS 8 -15.209 -11.534 -0.748 40 2HB LYS 8 HB1 LYS 8 -13.848 -10.523 -0.284 41 1HG LYS 8 HG2 LYS 8 -15.555 -8.586 -0.367 42 2HG LYS 8 HG1 LYS 8 -16.765 -9.867 -0.301 43 1HD LYS 8 HD2 LYS 8 -14.554 -10.023 1.659 44 2HD LYS 8 HD1 LYS 8 -15.723 -8.722 1.886 45 1HE LYS 8 HE2 LYS 8 -17.368 -10.824 1.395 46 2HE LYS 8 HE1 LYS 8 -16.030 -11.627 2.217 47 1HZ LYS 8 HZ1 LYS 8 -17.999 -10.606 3.562 48 2HZ LYS 8 HZ2 LYS 8 -17.129 -9.167 3.380 49 3HZ LYS 8 HZ3 LYS 8 -16.415 -10.494 4.149 50 H GLN 9 HN GLN 9 -15.894 -7.981 -2.121 51 HA GLN 9 HA GLN 9 -18.140 -9.043 -3.685 52 1HB GLN 9 HB2 GLN 9 -19.242 -6.862 -2.644 53 2HB GLN 9 HB1 GLN 9 -19.173 -8.383 -1.767 54 1HG GLN 9 HG2 GLN 9 -17.383 -7.648 -0.429 55 2HG GLN 9 HG1 GLN 9 -17.068 -6.267 -1.476 56 H MET 10 HN MET 10 -17.703 -5.602 -3.159 57 HA MET 10 HA MET 10 -18.198 -4.858 -5.754 58 1HB MET 10 HB2 MET 10 -17.031 -2.711 -5.197 59 2HB MET 10 HB1 MET 10 -18.264 -3.204 -4.051 60 1HG MET 10 HG2 MET 10 -16.772 -3.574 -2.383 61 2HG MET 10 HG1 MET 10 -15.485 -4.036 -3.492 62 1HE MET 10 HE1 MET 10 -15.803 -1.584 -0.811 63 2HE MET 10 HE2 MET 10 -14.263 -0.911 -1.339 64 3HE MET 10 HE3 MET 10 -14.491 -2.656 -1.290 65 H ASP 11 HN ASP 11 -17.169 -5.499 -7.526 66 HA ASP 11 HA ASP 11 -14.576 -6.499 -7.629 67 1HB ASP 11 HB2 ASP 11 -14.769 -6.056 -10.126 68 2HB ASP 11 HB1 ASP 11 -16.039 -7.047 -9.417 69 H ILE 12 HN ILE 12 -12.999 -5.410 -9.402 70 HA ILE 12 HA ILE 12 -12.378 -2.776 -8.265 71 HB ILE 12 HB ILE 12 -10.239 -3.671 -9.919 72 H THR 13 HN THR 13 -11.928 -1.019 -9.546 73 HA THR 13 HA THR 13 -12.297 -1.281 -12.433 74 HB THR 13 HB THR 13 -14.101 0.115 -12.598 75 HG1 THR 13 HG1 THR 13 -14.359 1.895 -11.444 76 HA PRO 14 HA PRO 14 -9.302 1.867 -13.222 77 1HB PRO 14 HB2 PRO 14 -11.442 3.927 -13.549 78 2HB PRO 14 HB1 PRO 14 -10.042 3.594 -14.578 79 1HG PRO 14 HG2 PRO 14 -12.455 2.751 -15.295 80 2HG PRO 14 HG1 PRO 14 -11.032 1.722 -15.541 81 1HD PRO 14 HD2 PRO 14 -13.199 1.508 -13.514 82 2HD PRO 14 HD1 PRO 14 -12.250 0.226 -14.292 83 H ALA 15 HN ALA 15 -11.994 3.238 -11.323 84 HA ALA 15 HA ALA 15 -10.606 5.240 -10.009 85 1HB ALA 15 HB1 ALA 15 -12.760 5.504 -9.446 86 2HB ALA 15 HB2 ALA 15 -12.385 4.428 -8.099 87 3HB ALA 15 HB3 ALA 15 -13.104 3.779 -9.573 88 H ILE 16 HN ILE 16 -11.609 2.409 -8.104 89 HA ILE 16 HA ILE 16 -9.660 2.648 -6.170 90 HB ILE 16 HB ILE 16 -9.911 0.045 -6.006 91 H ARG 17 HN ARG 17 -9.573 0.416 -8.958 92 HA ARG 17 HA ARG 17 -7.134 -0.738 -8.709 93 1HB ARG 17 HB2 ARG 17 -8.760 -0.955 -10.647 94 2HB ARG 17 HB1 ARG 17 -8.026 0.492 -11.323 95 1HG ARG 17 HG2 ARG 17 -5.954 -0.582 -11.637 96 2HG ARG 17 HG1 ARG 17 -6.423 -1.949 -10.626 97 1HD ARG 17 HD2 ARG 17 -7.856 -2.813 -12.251 98 2HD ARG 17 HD1 ARG 17 -7.941 -1.283 -13.121 99 HE ARG 17 HE ARG 17 -5.300 -2.369 -13.086 100 1HH1 ARG 17 HH11 ARG 17 -8.399 -2.564 -14.679 101 2HH1 ARG 17 HH12 ARG 17 -7.739 -3.164 -16.163 102 1HH2 ARG 17 HH21 ARG 17 -4.429 -3.156 -15.038 103 2HH2 ARG 17 HH22 ARG 17 -5.485 -3.499 -16.368 104 H GLU 18 HN GLU 18 -7.657 2.388 -10.337 105 HA GLU 18 HA GLU 18 -4.944 3.066 -10.629 106 1HB GLU 18 HB2 GLU 18 -6.688 4.184 -11.911 107 2HB GLU 18 HB1 GLU 18 -7.394 4.839 -10.439 108 1HG GLU 18 HG2 GLU 18 -6.185 6.658 -10.822 109 2HG GLU 18 HG1 GLU 18 -4.776 5.711 -10.344 110 H HIS 19 HN HIS 19 -7.274 3.654 -8.054 111 HA HIS 19 HA HIS 19 -5.734 5.400 -6.481 112 1HB HIS 19 HB2 HIS 19 -8.237 4.702 -6.326 113 2HB HIS 19 HB1 HIS 19 -7.643 3.376 -5.341 114 HD1 HIS 19 HD1 HIS 19 -6.240 6.867 -5.092 115 HD2 HIS 19 HD2 HIS 19 -8.744 4.272 -3.055 116 HE1 HIS 19 HE1 HIS 19 -6.684 7.977 -2.876 117 HE2 HIS 19 HE2 HIS 19 -8.292 6.434 -1.696 118 H LEU 20 HN LEU 20 -6.417 1.967 -5.855 119 HA LEU 20 HA LEU 20 -4.523 1.434 -3.947 120 1HB LEU 20 HB2 LEU 20 -5.006 -0.576 -6.107 121 2HB LEU 20 HB1 LEU 20 -4.832 -0.817 -4.377 122 HG LEU 20 HG LEU 20 -7.239 0.365 -5.761 123 H GLU 21 HN GLU 21 -4.095 1.047 -7.471 124 HA GLU 21 HA GLU 21 -1.398 0.324 -7.430 125 1HB GLU 21 HB2 GLU 21 -2.931 1.877 -9.526 126 2HB GLU 21 HB1 GLU 21 -1.337 1.175 -9.772 127 1HG GLU 21 HG2 GLU 21 -2.152 -1.005 -9.689 128 2HG GLU 21 HG1 GLU 21 -3.660 -0.511 -8.922 129 H GLU 22 HN GLU 22 -2.825 3.553 -7.942 130 HA GLU 22 HA GLU 22 -0.478 5.029 -8.034 131 1HB GLU 22 HB2 GLU 22 -3.255 5.699 -7.091 132 2HB GLU 22 HB1 GLU 22 -1.965 6.889 -7.009 133 1HG GLU 22 HG2 GLU 22 -2.669 5.465 -9.553 134 2HG GLU 22 HG1 GLU 22 -3.470 6.951 -9.044 135 H ARG 23 HN ARG 23 -2.330 3.891 -5.258 136 HA ARG 23 HA ARG 23 -0.892 5.250 -3.252 137 1HB ARG 23 HB2 ARG 23 -3.092 3.693 -3.189 138 2HB ARG 23 HB1 ARG 23 -1.899 2.531 -2.622 139 1HG ARG 23 HG2 ARG 23 -3.010 3.711 -0.792 140 2HG ARG 23 HG1 ARG 23 -1.272 4.002 -0.814 141 1HD ARG 23 HD2 ARG 23 -1.617 6.192 -0.938 142 2HD ARG 23 HD1 ARG 23 -2.564 5.984 -2.410 143 HE ARG 23 HE ARG 23 -4.318 5.345 -0.454 144 1HH1 ARG 23 HH11 ARG 23 -2.239 8.096 -0.992 145 2HH1 ARG 23 HH12 ARG 23 -3.295 9.210 -0.191 146 1HH2 ARG 23 HH21 ARG 23 -5.710 6.809 0.599 147 2HH2 ARG 23 HH22 ARG 23 -5.266 8.479 0.713 148 H LEU 24 HN LEU 24 -0.492 2.035 -4.697 149 HA LEU 24 HA LEU 24 1.727 1.224 -3.179 150 1HB LEU 24 HB2 LEU 24 0.505 -0.357 -4.542 151 2HB LEU 24 HB1 LEU 24 0.909 0.526 -6.001 152 HG LEU 24 HG LEU 24 3.393 -0.047 -5.065 153 H ALA 25 HN ALA 25 1.557 2.754 -6.390 154 HA ALA 25 HA ALA 25 4.294 3.054 -6.831 155 1HB ALA 25 HB1 ALA 25 3.191 3.582 -8.737 156 2HB ALA 25 HB2 ALA 25 3.332 5.221 -8.099 157 3HB ALA 25 HB3 ALA 25 1.835 4.313 -7.878 158 H LYS 26 HN LYS 26 2.046 4.898 -4.901 159 HA LYS 26 HA LYS 26 3.778 7.124 -4.444 160 1HB LYS 26 HB2 LYS 26 1.291 7.214 -4.210 161 2HB LYS 26 HB1 LYS 26 1.425 6.192 -2.786 162 1HG LYS 26 HG2 LYS 26 1.892 7.928 -1.490 163 2HG LYS 26 HG1 LYS 26 3.168 8.478 -2.577 164 1HD LYS 26 HD2 LYS 26 1.007 9.198 -4.006 165 2HD LYS 26 HD1 LYS 26 0.344 9.326 -2.375 166 1HE LYS 26 HE2 LYS 26 1.444 11.224 -2.008 167 2HE LYS 26 HE1 LYS 26 2.974 10.493 -2.490 168 1HZ LYS 26 HZ1 LYS 26 1.850 10.845 -4.864 169 2HZ LYS 26 HZ2 LYS 26 2.819 12.017 -4.123 170 3HZ LYS 26 HZ3 LYS 26 1.135 12.134 -4.032 171 H LEU 27 HN LEU 27 3.100 4.072 -2.828 172 HA LEU 27 HA LEU 27 4.766 4.701 -0.563 173 1HB LEU 27 HB2 LEU 27 3.096 2.399 -1.404 174 2HB LEU 27 HB1 LEU 27 4.442 2.043 -0.339 175 HG LEU 27 HG LEU 27 2.136 3.908 0.219 176 H GLY 28 HN GLY 28 5.379 3.772 -3.724 177 1HA GLY 28 HA2 GLY 28 7.560 1.984 -3.346 178 2HA GLY 28 HA1 GLY 28 7.227 2.916 -4.798 179 H LYS 29 HN LYS 29 7.266 5.464 -3.424 180 HA LYS 29 HA LYS 29 10.091 5.966 -3.545 181 1HB LYS 29 HB2 LYS 29 9.533 8.265 -3.324 182 2HB LYS 29 HB1 LYS 29 8.322 7.546 -4.373 183 1HG LYS 29 HG2 LYS 29 6.677 8.171 -3.013 184 2HG LYS 29 HG1 LYS 29 7.477 7.458 -1.612 185 1HD LYS 29 HD2 LYS 29 8.971 9.724 -2.127 186 2HD LYS 29 HD1 LYS 29 7.313 10.237 -2.448 187 1HE LYS 29 HE2 LYS 29 6.611 9.629 -0.261 188 2HE LYS 29 HE1 LYS 29 8.119 8.773 0.058 189 1HZ LYS 29 HZ1 LYS 29 9.270 10.939 -0.112 190 2HZ LYS 29 HZ2 LYS 29 8.169 10.870 1.170 191 3HZ LYS 29 HZ3 LYS 29 7.767 11.706 -0.245 192 H TRP 30 HN TRP 30 8.234 4.756 -1.121 193 HA TRP 30 HA TRP 30 9.260 6.278 1.078 194 1HB TRP 30 HB2 TRP 30 7.389 4.027 0.711 195 2HB TRP 30 HB1 TRP 30 8.220 4.100 2.258 196 HD1 TRP 30 HD1 TRP 30 5.803 6.181 0.089 197 HE1 TRP 30 HE1 TRP 30 4.549 7.809 1.644 198 HE3 TRP 30 HE3 TRP 30 8.319 5.245 4.411 199 HZ2 TRP 30 HZ2 TRP 30 4.635 8.590 4.370 200 HZ3 TRP 30 HZ3 TRP 30 7.693 6.477 6.439 201 HH2 TRP 30 HH2 TRP 30 5.889 8.116 6.417 202 H GLN 31 HN GLN 31 11.379 5.118 -0.518 203 HA GLN 31 HA GLN 31 13.320 3.961 -0.270 204 1HB GLN 31 HB2 GLN 31 14.115 5.195 1.436 205 2HB GLN 31 HB1 GLN 31 12.574 5.192 2.262 206 1HG GLN 31 HG2 GLN 31 14.115 4.254 3.749 207 2HG GLN 31 HG1 GLN 31 13.167 2.906 3.130 208 H THR 32 HN THR 32 10.688 2.445 -0.196 209 HA THR 32 HA THR 32 11.749 -0.022 0.984 210 HB THR 32 HB THR 32 8.836 0.108 0.707 211 HG1 THR 32 HG1 THR 32 9.068 2.216 1.336 212 H GLN 33 HN GLN 33 10.568 -1.955 0.073 213 HA GLN 33 HA GLN 33 9.949 -1.701 -2.771 214 1HB GLN 33 HB2 GLN 33 11.236 -3.935 -3.009 215 2HB GLN 33 HB1 GLN 33 12.145 -2.433 -2.986 216 1HG GLN 33 HG2 GLN 33 11.698 -3.913 -0.440 217 2HG GLN 33 HG1 GLN 33 12.928 -4.476 -1.572 218 H LEU 34 HN LEU 34 7.832 -2.111 -2.449 219 HA LEU 34 HA LEU 34 6.746 -3.882 -0.633 220 1HB LEU 34 HB2 LEU 34 5.695 -2.831 -3.243 221 2HB LEU 34 HB1 LEU 34 4.737 -3.849 -2.193 222 HG LEU 34 HG LEU 34 3.993 -1.887 -1.372 223 H ILE 35 HN ILE 35 7.465 -5.895 -0.500 224 HA ILE 35 HA ILE 35 7.998 -7.559 -2.766 225 HB ILE 35 HB ILE 35 7.745 -8.189 0.176 226 H SER 36 HN SER 36 6.239 -7.996 -4.019 227 HA SER 36 HA SER 36 4.156 -8.718 -4.646 228 1HB SER 36 HB2 SER 36 5.364 -10.738 -3.313 229 2HB SER 36 HB1 SER 36 3.943 -10.524 -2.291 230 HG SER 36 HG SER 36 4.145 -11.585 -4.798 231 HA PRO 37 HA PRO 37 1.752 -6.279 -1.687 232 1HB PRO 37 HB2 PRO 37 1.027 -4.386 -3.522 233 2HB PRO 37 HB1 PRO 37 2.532 -4.349 -2.605 234 1HG PRO 37 HG2 PRO 37 2.166 -4.793 -5.436 235 2HG PRO 37 HG1 PRO 37 3.674 -4.610 -4.540 236 1HD PRO 37 HD2 PRO 37 2.303 -7.039 -5.459 237 2HD PRO 37 HD1 PRO 37 3.998 -6.804 -4.990 238 H HIS 38 HN HIS 38 -0.343 -6.404 -1.227 239 HA HIS 38 HA HIS 38 -2.270 -7.017 -3.351 240 1HB HIS 38 HB2 HIS 38 -1.572 -8.672 -1.095 241 2HB HIS 38 HB1 HIS 38 -3.262 -8.231 -1.038 242 HD1 HIS 38 HD1 HIS 38 -1.252 -10.830 -2.184 243 HD2 HIS 38 HD2 HIS 38 -4.404 -8.714 -3.860 244 HE1 HIS 38 HE1 HIS 38 -2.212 -12.341 -3.951 245 HE2 HIS 38 HE2 HIS 38 -4.032 -10.984 -5.043 246 H PHE 39 HN PHE 39 -4.513 -6.703 -2.552 247 HA PHE 39 HA PHE 39 -4.860 -4.886 -0.358 248 1HB PHE 39 HB2 PHE 39 -4.656 -3.876 -3.050 249 2HB PHE 39 HB1 PHE 39 -6.237 -3.542 -2.356 250 HD1 PHE 39 HD1 PHE 39 -6.551 -1.869 -0.766 251 HD2 PHE 39 HD2 PHE 39 -2.611 -3.109 -1.791 252 HE1 PHE 39 HE1 PHE 39 -5.630 0.029 0.500 253 HE2 PHE 39 HE2 PHE 39 -1.682 -1.213 -0.525 254 HZ PHE 39 HZ PHE 39 -3.194 0.358 0.622 255 H VAL 40 HN VAL 40 -6.392 -5.988 0.664 256 HA VAL 40 HA VAL 40 -8.533 -7.260 -0.814 257 HB VAL 40 HB VAL 40 -7.993 -7.164 2.161 258 H LEU 41 HN LEU 41 -9.644 -5.512 -1.616 259 HA LEU 41 HA LEU 41 -10.684 -3.481 0.187 260 1HB LEU 41 HB2 LEU 41 -9.794 -2.759 -1.929 261 2HB LEU 41 HB1 LEU 41 -10.843 -3.857 -2.795 262 HG LEU 41 HG LEU 41 -12.678 -2.363 -1.490 263 H ASN 42 HN ASN 42 -12.765 -3.258 0.801 264 HA ASN 42 HA ASN 42 -14.849 -4.805 -0.478 265 1HB ASN 42 HB2 ASN 42 -14.339 -5.183 2.472 266 2HB ASN 42 HB1 ASN 42 -15.627 -5.916 1.526 267 H LYS 43 HN LYS 43 -16.987 -4.326 0.333 268 HA LYS 43 HA LYS 43 -17.207 -1.689 1.649 269 1HB LYS 43 HB2 LYS 43 -17.773 -0.995 -0.466 270 2HB LYS 43 HB1 LYS 43 -18.307 -2.594 -0.971 271 1HG LYS 43 HG2 LYS 43 -20.387 -2.332 0.249 272 2HG LYS 43 HG1 LYS 43 -19.850 -0.784 0.892 273 1HD LYS 43 HD2 LYS 43 -21.224 -0.165 -0.881 274 2HD LYS 43 HD1 LYS 43 -19.607 -0.080 -1.582 275 1HE LYS 43 HE2 LYS 43 -20.647 -1.266 -3.221 276 2HE LYS 43 HE1 LYS 43 -20.147 -2.604 -2.187 277 1HZ LYS 43 HZ1 LYS 43 -22.577 -2.464 -3.023 278 2HZ LYS 43 HZ2 LYS 43 -22.773 -1.346 -1.769 279 3HZ LYS 43 HZ3 LYS 43 -22.275 -2.925 -1.422 280 H VAL 44 HN VAL 44 -19.435 -1.330 2.506 281 HA VAL 44 HA VAL 44 -21.093 -3.638 2.857 282 HB VAL 44 HB VAL 44 -21.058 -3.424 5.338 283 HA PRO 45 HA PRO 45 -24.459 -0.846 3.142 284 1HB PRO 45 HB2 PRO 45 -25.128 -2.077 5.777 285 2HB PRO 45 HB1 PRO 45 -26.161 -1.804 4.369 286 1HG PRO 45 HG2 PRO 45 -25.229 -4.237 4.913 287 2HG PRO 45 HG1 PRO 45 -25.339 -3.656 3.240 288 1HD PRO 45 HD2 PRO 45 -22.944 -3.971 4.984 289 2HD PRO 45 HD1 PRO 45 -23.098 -4.170 3.227 290 H ASN 46 HN ASN 46 -22.864 -1.351 6.273 291 HA ASN 46 HA ASN 46 -23.521 1.299 7.185 292 1HB ASN 46 HB2 ASN 46 -22.984 -1.048 8.466 293 2HB ASN 46 HB1 ASN 46 -21.460 -0.191 8.664 294 H GLY 47 HN GLY 47 -21.409 0.527 4.881 295 1HA GLY 47 HA2 GLY 47 -20.013 2.731 4.564 296 2HA GLY 47 HA1 GLY 47 -19.158 2.044 5.929 297 H PHE 48 HN PHE 48 -17.308 1.877 4.792 298 HA PHE 48 HA PHE 48 -17.190 -0.288 2.819 299 1HB PHE 48 HB2 PHE 48 -15.810 2.368 2.828 300 2HB PHE 48 HB1 PHE 48 -15.151 1.022 1.950 301 HD1 PHE 48 HD1 PHE 48 -18.345 2.904 2.309 302 HD2 PHE 48 HD2 PHE 48 -15.705 0.762 -0.236 303 HE1 PHE 48 HE1 PHE 48 -19.759 3.467 0.376 304 HE2 PHE 48 HE2 PHE 48 -17.113 1.307 -2.176 305 HZ PHE 48 HZ PHE 48 -19.141 2.661 -1.873 306 H SER 49 HN SER 49 -15.747 -1.863 3.295 307 HA SER 49 HA SER 49 -13.837 -1.320 5.458 308 1HB SER 49 HB2 SER 49 -14.088 -4.115 5.097 309 2HB SER 49 HB1 SER 49 -14.565 -3.148 6.484 310 HG SER 49 HG SER 49 -16.572 -2.762 5.331 311 H VAL 50 HN VAL 50 -11.856 -1.252 4.879 312 HA VAL 50 HA VAL 50 -11.011 -2.694 2.446 313 HB VAL 50 HB VAL 50 -9.466 -0.303 3.301 314 H GLU 51 HN GLU 51 -8.885 -3.566 2.456 315 HA GLU 51 HA GLU 51 -7.315 -3.434 4.892 316 1HB GLU 51 HB2 GLU 51 -8.823 -5.246 5.434 317 2HB GLU 51 HB1 GLU 51 -8.508 -6.016 3.891 318 1HG GLU 51 HG2 GLU 51 -6.029 -6.018 4.768 319 2HG GLU 51 HG1 GLU 51 -6.830 -5.912 6.334 320 H ALA 52 HN ALA 52 -5.255 -3.309 4.369 321 HA ALA 52 HA ALA 52 -4.447 -4.169 1.678 322 1HB ALA 52 HB1 ALA 52 -3.144 -2.174 3.525 323 2HB ALA 52 HB2 ALA 52 -4.146 -1.797 2.125 324 3HB ALA 52 HB3 ALA 52 -2.588 -2.593 1.905 325 H SER 53 HN SER 53 -2.458 -5.239 1.367 326 HA SER 53 HA SER 53 -1.016 -6.241 3.667 327 1HB SER 53 HB2 SER 53 -2.216 -8.222 1.729 328 2HB SER 53 HB1 SER 53 -1.350 -8.565 3.225 329 HG SER 53 HG SER 53 -3.185 -8.428 4.215 330 H ILE 54 HN ILE 54 0.943 -5.588 3.054 331 HA ILE 54 HA ILE 54 1.913 -6.422 0.395 332 HB ILE 54 HB ILE 54 3.042 -4.006 1.763 333 H GLY 55 HN GLY 55 4.473 -6.247 0.430 334 1HA GLY 55 HA2 GLY 55 5.419 -7.433 2.942 335 2HA GLY 55 HA1 GLY 55 5.878 -8.072 1.388 336 H THR 56 HN THR 56 7.530 -7.073 3.497 337 HA THR 56 HA THR 56 9.133 -5.257 1.919 338 HB THR 56 HB THR 56 9.045 -3.415 3.209 339 HG1 THR 56 HG1 THR 56 8.449 -4.700 5.620 340 HA PRO 57 HA PRO 57 12.378 -7.785 3.597 341 1HB PRO 57 HB2 PRO 57 14.087 -5.384 3.640 342 2HB PRO 57 HB1 PRO 57 14.318 -6.911 2.786 343 1HG PRO 57 HG2 PRO 57 13.636 -4.613 1.540 344 2HG PRO 57 HG1 PRO 57 13.156 -6.210 0.947 345 1HD PRO 57 HD2 PRO 57 11.544 -4.123 2.307 346 2HD PRO 57 HD1 PRO 57 11.056 -5.360 1.134 347 H LEU 58 HN LEU 58 11.172 -4.903 5.034 348 HA LEU 58 HA LEU 58 12.628 -5.394 7.522 349 1HB LEU 58 HB2 LEU 58 11.050 -3.038 6.511 350 2HB LEU 58 HB1 LEU 58 11.596 -3.163 8.174 351 HG LEU 58 HG LEU 58 13.909 -3.626 6.733 352 H GLY 59 HN GLY 59 9.691 -6.142 6.098 353 1HA GLY 59 HA2 GLY 59 8.516 -7.671 7.850 354 2HA GLY 59 HA1 GLY 59 8.205 -6.136 8.626 355 H ASN 60 HN ASN 60 6.644 -8.358 7.078 356 HA ASN 60 HA ASN 60 5.457 -7.313 4.811 357 1HB ASN 60 HB2 ASN 60 3.991 -8.942 6.882 358 2HB ASN 60 HB1 ASN 60 3.693 -8.881 5.151 359 H LEU 61 HN LEU 61 3.814 -5.924 4.385 360 HA LEU 61 HA LEU 61 2.895 -4.260 6.607 361 1HB LEU 61 HB2 LEU 61 2.636 -3.906 3.621 362 2HB LEU 61 HB1 LEU 61 2.006 -2.787 4.810 363 HG LEU 61 HG LEU 61 4.870 -3.323 5.117 364 H LEU 62 HN LEU 62 0.775 -4.034 7.165 365 HA LEU 62 HA LEU 62 -1.309 -5.245 5.586 366 1HB LEU 62 HB2 LEU 62 -1.027 -6.141 8.440 367 2HB LEU 62 HB1 LEU 62 -2.128 -6.750 7.223 368 HG LEU 62 HG LEU 62 0.856 -7.089 7.004 369 H ALA 63 HN ALA 63 -3.382 -4.541 6.202 370 HA ALA 63 HA ALA 63 -3.797 -2.863 8.467 371 1HB ALA 63 HB1 ALA 63 -3.158 -1.615 5.851 372 2HB ALA 63 HB2 ALA 63 -2.794 -1.070 7.489 373 3HB ALA 63 HB3 ALA 63 -4.423 -0.877 6.836 374 H SER 64 HN SER 64 -5.978 -1.909 8.480 375 HA SER 64 HA SER 64 -7.908 -2.702 6.542 376 1HB SER 64 HB2 SER 64 -9.073 -4.077 8.608 377 2HB SER 64 HB1 SER 64 -8.197 -4.823 7.271 378 HG SER 64 HG SER 64 -7.551 -5.376 9.523 379 H ALA 65 HN ALA 65 -9.751 -1.499 6.755 380 HA ALA 65 HA ALA 65 -10.450 -0.325 9.306 381 1HB ALA 65 HB1 ALA 65 -8.789 1.254 8.580 382 2HB ALA 65 HB2 ALA 65 -10.384 1.996 8.450 383 3HB ALA 65 HB3 ALA 65 -9.566 1.406 7.004 384 H THR 66 HN THR 66 -12.505 0.659 9.342 385 HA THR 66 HA THR 66 -14.183 0.160 6.976 386 HB THR 66 HB THR 66 -14.948 -0.314 9.865 387 HG1 THR 66 HG1 THR 66 -14.134 -2.197 9.519 388 H SER 67 HN SER 67 -15.313 1.915 6.320 389 HA SER 67 HA SER 67 -16.271 3.860 8.214 390 1HB SER 67 HB2 SER 67 -13.738 4.270 6.924 391 2HB SER 67 HB1 SER 67 -14.888 5.469 6.346 392 HG SER 67 HG SER 67 -15.363 5.856 8.621 393 H ASP 68 HN ASP 68 -17.564 5.555 7.168 394 HA ASP 68 HA ASP 68 -19.077 4.451 4.988 395 1HB ASP 68 HB2 ASP 68 -20.435 6.559 5.285 396 2HB ASP 68 HB1 ASP 68 -20.333 5.526 6.703 397 H ASP 69 HN ASP 69 -16.190 5.733 4.787 398 HA ASP 69 HA ASP 69 -16.831 7.227 2.339 399 1HB ASP 69 HB2 ASP 69 -15.085 8.017 4.622 400 2HB ASP 69 HB1 ASP 69 -14.578 8.472 2.998 401 H MET 70 HN MET 70 -16.248 5.930 0.785 402 HA MET 70 HA MET 70 -14.625 3.817 0.608 403 1HB MET 70 HB2 MET 70 -15.986 4.526 -1.225 404 2HB MET 70 HB1 MET 70 -15.077 6.015 -1.403 405 1HG MET 70 HG2 MET 70 -14.079 4.923 -3.069 406 2HG MET 70 HG1 MET 70 -13.121 4.195 -1.782 407 1HE MET 70 HE1 MET 70 -13.461 1.659 -0.919 408 2HE MET 70 HE2 MET 70 -12.446 2.066 -2.310 409 3HE MET 70 HE3 MET 70 -13.501 0.650 -2.366 410 H TYR 71 HN TYR 71 -13.400 6.897 -0.662 411 HA TYR 71 HA TYR 71 -10.726 5.988 -0.579 412 1HB TYR 71 HB2 TYR 71 -12.060 8.520 -1.352 413 2HB TYR 71 HB1 TYR 71 -10.327 8.569 -1.021 414 HD1 TYR 71 HD1 TYR 71 -11.656 5.435 -2.203 415 HD2 TYR 71 HD2 TYR 71 -10.019 9.154 -3.464 416 HE1 TYR 71 HE1 TYR 71 -11.190 4.458 -4.390 417 HE2 TYR 71 HE2 TYR 71 -9.560 8.194 -5.683 418 HH TYR 71 HH TYR 71 -10.917 5.667 -6.914 419 H LYS 72 HN LYS 72 -12.668 7.419 1.838 420 HA LYS 72 HA LYS 72 -10.464 8.514 3.338 421 1HB LYS 72 HB2 LYS 72 -12.839 9.278 3.559 422 2HB LYS 72 HB1 LYS 72 -13.145 7.757 4.365 423 1HG LYS 72 HG2 LYS 72 -11.436 8.362 6.056 424 2HG LYS 72 HG1 LYS 72 -11.316 9.944 5.286 425 1HD LYS 72 HD2 LYS 72 -14.041 9.573 5.687 426 2HD LYS 72 HD1 LYS 72 -13.293 8.933 7.150 427 1HE LYS 72 HE2 LYS 72 -12.559 10.963 7.822 428 2HE LYS 72 HE1 LYS 72 -12.225 11.503 6.177 429 1HZ LYS 72 HZ1 LYS 72 -14.638 11.778 7.763 430 2HZ LYS 72 HZ2 LYS 72 -14.883 11.391 6.135 431 3HZ LYS 72 HZ3 LYS 72 -14.017 12.783 6.552 432 H ALA 73 HN ALA 73 -12.358 5.559 3.187 433 HA ALA 73 HA ALA 73 -11.251 4.252 5.440 434 1HB ALA 73 HB1 ALA 73 -13.300 3.633 3.854 435 2HB ALA 73 HB2 ALA 73 -12.421 2.395 4.753 436 3HB ALA 73 HB3 ALA 73 -12.061 2.670 3.048 437 H ILE 74 HN ILE 74 -10.524 4.344 1.999 438 HA ILE 74 HA ILE 74 -8.184 2.733 2.078 439 HB ILE 74 HB ILE 74 -9.343 4.721 0.152 440 H ASN 75 HN ASN 75 -8.972 6.094 2.495 441 HA ASN 75 HA ASN 75 -6.466 7.280 2.657 442 1HB ASN 75 HB2 ASN 75 -8.985 8.136 2.723 443 2HB ASN 75 HB1 ASN 75 -8.704 8.171 4.453 444 H GLU 76 HN GLU 76 -8.447 5.602 5.015 445 HA GLU 76 HA GLU 76 -6.734 6.030 7.253 446 1HB GLU 76 HB2 GLU 76 -9.284 4.887 6.763 447 2HB GLU 76 HB1 GLU 76 -8.307 3.644 7.534 448 1HG GLU 76 HG2 GLU 76 -7.751 5.844 9.058 449 2HG GLU 76 HG1 GLU 76 -9.445 6.092 8.635 450 H VAL 77 HN VAL 77 -7.367 3.167 5.198 451 HA VAL 77 HA VAL 77 -5.560 1.393 6.241 452 HB VAL 77 HB VAL 77 -5.936 1.733 3.272 453 H GLU 78 HN GLU 78 -4.956 3.694 3.594 454 HA GLU 78 HA GLU 78 -2.267 3.177 3.245 455 1HB GLU 78 HB2 GLU 78 -3.749 4.679 1.831 456 2HB GLU 78 HB1 GLU 78 -3.491 5.931 3.039 457 1HG GLU 78 HG2 GLU 78 -1.262 4.573 1.548 458 2HG GLU 78 HG1 GLU 78 -2.026 6.070 1.021 459 H GLU 79 HN GLU 79 -3.912 5.075 5.665 460 HA GLU 79 HA GLU 79 -1.629 6.368 6.728 461 1HB GLU 79 HB2 GLU 79 -4.357 6.474 7.196 462 2HB GLU 79 HB1 GLU 79 -3.730 5.757 8.674 463 1HG GLU 79 HG2 GLU 79 -3.404 7.857 9.331 464 2HG GLU 79 HG1 GLU 79 -1.994 7.819 8.273 465 H LYS 80 HN LYS 80 -3.335 3.358 7.547 466 HA LYS 80 HA LYS 80 -1.641 2.648 9.700 467 1HB LYS 80 HB2 LYS 80 -3.456 1.063 7.897 468 2HB LYS 80 HB1 LYS 80 -2.435 0.258 9.074 469 1HG LYS 80 HG2 LYS 80 -4.218 2.485 9.945 470 2HG LYS 80 HG1 LYS 80 -4.884 0.873 9.676 471 1HD LYS 80 HD2 LYS 80 -2.498 1.394 11.438 472 2HD LYS 80 HD1 LYS 80 -4.157 1.388 12.041 473 1HE LYS 80 HE2 LYS 80 -2.766 -0.903 10.657 474 2HE LYS 80 HE1 LYS 80 -3.071 -0.775 12.389 475 1HZ LYS 80 HZ1 LYS 80 -5.527 -0.472 11.514 476 2HZ LYS 80 HZ2 LYS 80 -4.859 -2.003 11.783 477 3HZ LYS 80 HZ3 LYS 80 -4.925 -1.374 10.214 478 H LEU 81 HN LEU 81 -1.702 1.557 6.315 479 HA LEU 81 HA LEU 81 0.579 0.000 6.308 480 1HB LEU 81 HB2 LEU 81 -1.121 1.259 4.339 481 2HB LEU 81 HB1 LEU 81 0.553 1.334 3.826 482 HG LEU 81 HG LEU 81 -0.975 -0.678 3.140 483 H GLU 82 HN GLU 82 0.324 3.523 5.722 484 HA GLU 82 HA GLU 82 3.083 3.931 5.277 485 1HB GLU 82 HB2 GLU 82 1.050 5.517 4.898 486 2HB GLU 82 HB1 GLU 82 1.339 6.005 6.560 487 1HG GLU 82 HG2 GLU 82 3.820 6.031 5.180 488 2HG GLU 82 HG1 GLU 82 2.630 6.892 4.206 489 H ARG 83 HN ARG 83 1.078 4.144 8.186 490 HA ARG 83 HA ARG 83 2.994 5.009 10.002 491 1HB ARG 83 HB2 ARG 83 0.369 3.849 10.116 492 2HB ARG 83 HB1 ARG 83 1.384 3.094 11.337 493 1HG ARG 83 HG2 ARG 83 1.915 5.251 12.285 494 2HG ARG 83 HG1 ARG 83 0.999 6.062 11.013 495 1HD ARG 83 HD2 ARG 83 -0.618 6.029 12.602 496 2HD ARG 83 HD1 ARG 83 -0.908 4.431 11.917 497 HE ARG 83 HE ARG 83 -0.154 3.489 13.865 498 1HH1 ARG 83 HH11 ARG 83 0.719 6.868 13.821 499 2HH1 ARG 83 HH12 ARG 83 1.246 6.881 15.471 500 1HH2 ARG 83 HH21 ARG 83 0.539 3.505 16.034 501 2HH2 ARG 83 HH22 ARG 83 1.145 4.972 16.727 502 H GLN 84 HN GLN 84 2.088 1.658 9.185 503 HA GLN 84 HA GLN 84 4.045 0.410 10.769 504 1HB GLN 84 HB2 GLN 84 3.427 -0.943 8.218 505 2HB GLN 84 HB1 GLN 84 3.355 -1.557 9.859 506 1HG GLN 84 HG2 GLN 84 1.263 0.114 9.912 507 2HG GLN 84 HG1 GLN 84 1.264 -0.309 8.203 508 H LEU 85 HN LEU 85 4.075 1.482 7.392 509 HA LEU 85 HA LEU 85 6.568 0.613 6.577 510 1HB LEU 85 HB2 LEU 85 4.756 2.817 5.867 511 2HB LEU 85 HB1 LEU 85 6.437 3.127 5.483 512 HG LEU 85 HG LEU 85 5.554 0.486 4.611 513 H ASN 86 HN ASN 86 5.815 3.808 7.957 514 HA ASN 86 HA ASN 86 8.419 4.691 8.338 515 1HB ASN 86 HB2 ASN 86 6.126 5.919 8.670 516 2HB ASN 86 HB1 ASN 86 6.265 5.344 10.332 517 H LYS 87 HN LYS 87 6.426 2.533 10.231 518 HA LYS 87 HA LYS 87 8.048 2.416 12.547 519 1HB LYS 87 HB2 LYS 87 5.702 1.129 11.576 520 2HB LYS 87 HB1 LYS 87 6.848 -0.132 12.020 521 1HG LYS 87 HG2 LYS 87 6.351 0.145 14.156 522 2HG LYS 87 HG1 LYS 87 6.836 1.839 14.074 523 1HD LYS 87 HD2 LYS 87 4.389 1.900 12.867 524 2HD LYS 87 HD1 LYS 87 4.161 0.639 14.081 525 1HE LYS 87 HE2 LYS 87 4.232 2.099 15.784 526 2HE LYS 87 HE1 LYS 87 5.560 3.014 15.070 527 1HZ LYS 87 HZ1 LYS 87 3.896 4.536 14.925 528 2HZ LYS 87 HZ2 LYS 87 2.673 3.379 14.760 529 3HZ LYS 87 HZ3 LYS 87 3.660 3.758 13.441 530 H LEU 88 HN LEU 88 7.924 0.492 9.570 531 HA LEU 88 HA LEU 88 9.927 -1.337 10.224 532 1HB LEU 88 HB2 LEU 88 9.515 -0.297 7.430 533 2HB LEU 88 HB1 LEU 88 10.030 -1.897 7.925 534 HG LEU 88 HG LEU 88 7.260 -0.731 8.071 535 H GLN 89 HN GLN 89 10.177 1.590 8.213 536 HA GLN 89 HA GLN 89 12.983 1.546 8.018 537 1HB GLN 89 HB2 GLN 89 10.952 3.738 7.672 538 2HB GLN 89 HB1 GLN 89 12.675 4.054 7.510 539 1HG GLN 89 HG2 GLN 89 12.404 3.526 5.371 540 2HG GLN 89 HG1 GLN 89 12.326 1.855 5.921 541 H HIS 90 HN HIS 90 10.891 2.521 10.570 542 HA HIS 90 HA HIS 90 12.806 4.207 11.914 543 1HB HIS 90 HB2 HIS 90 10.078 3.145 12.531 544 2HB HIS 90 HB1 HIS 90 11.068 3.743 13.852 545 HD1 HIS 90 HD1 HIS 90 12.342 6.126 12.153 546 HD2 HIS 90 HD2 HIS 90 8.298 5.273 12.579 547 HE1 HIS 90 HE1 HIS 90 11.148 8.291 11.700 548 HE2 HIS 90 HE2 HIS 90 8.707 7.770 12.043 549 H LYS 91 HN LYS 91 11.199 1.204 12.881 550 HA LYS 91 HA LYS 91 11.781 -0.387 14.385 551 1HB LYS 91 HB2 LYS 91 13.778 -1.662 13.723 552 2HB LYS 91 HB1 LYS 91 12.781 -1.231 12.342 553 1HG LYS 91 HG2 LYS 91 14.338 0.203 11.485 554 2HG LYS 91 HG1 LYS 91 15.039 0.560 13.062 555 1HD LYS 91 HD2 LYS 91 16.364 -1.312 13.055 556 2HD LYS 91 HD1 LYS 91 15.271 -2.210 12.000 557 1HE LYS 91 HE2 LYS 91 16.359 -1.555 10.169 558 2HE LYS 91 HE1 LYS 91 16.357 0.132 10.684 559 1HZ LYS 91 HZ1 LYS 91 18.437 -0.024 11.448 560 2HZ LYS 91 HZ2 LYS 91 18.551 -1.412 10.489 561 3HZ LYS 91 HZ3 LYS 91 18.197 -1.551 12.136 562 H SER 92 HN SER 92 11.893 1.421 16.036 563 HA SER 92 HA SER 92 14.307 2.487 16.950 564 1HB SER 92 HB2 SER 92 11.760 1.842 18.451 565 2HB SER 92 HB1 SER 92 13.095 2.768 19.136 566 HG SER 92 HG SER 92 11.290 3.464 17.112 567 H GLU 93 HN GLU 93 15.333 1.961 19.095 568 HA GLU 93 HA GLU 93 15.180 -0.707 20.091 569 1HB GLU 93 HB2 GLU 93 16.680 -0.502 17.805 570 2HB GLU 93 HB1 GLU 93 17.899 -0.300 19.055 571 1HG GLU 93 HG2 GLU 93 17.672 -2.429 19.820 572 2HG GLU 93 HG1 GLU 93 15.975 -2.534 19.355 573 H SER 94 HN SER 94 17.732 -0.949 21.180 574 HA SER 94 HA SER 94 18.972 -0.298 22.971 575 1HB SER 94 HB2 SER 94 19.667 1.523 21.439 576 2HB SER 94 HB1 SER 94 18.325 2.506 22.024 577 HG SER 94 HG SER 94 20.649 2.554 23.017 578 H ARG 95 HN ARG 95 18.785 1.690 24.820 579 HA ARG 95 HA ARG 95 17.682 2.306 26.709 580 1HB ARG 95 HB2 ARG 95 16.009 2.978 24.617 581 2HB ARG 95 HB1 ARG 95 14.958 2.050 25.678 582 1HG ARG 95 HG2 ARG 95 15.627 3.535 27.550 583 2HG ARG 95 HG1 ARG 95 16.536 4.510 26.394 584 1HD ARG 95 HD2 ARG 95 14.506 4.995 25.163 585 2HD ARG 95 HD1 ARG 95 13.578 3.946 26.235 586 HE ARG 95 HE ARG 95 13.537 5.626 27.794 587 1HH1 ARG 95 HH11 ARG 95 15.920 6.388 25.362 588 2HH1 ARG 95 HH12 ARG 95 16.186 7.997 25.946 589 1HH2 ARG 95 HH21 ARG 95 13.884 7.743 28.563 590 2HH2 ARG 95 HH22 ARG 95 15.028 8.765 27.763 591 H ARG 96 HN ARG 96 15.490 1.598 28.020 592 HA ARG 96 HA ARG 96 14.519 -0.036 29.269 593 1HB ARG 96 HB2 ARG 96 14.200 -0.852 26.668 594 2HB ARG 96 HB1 ARG 96 14.987 -2.246 27.394 595 1HG ARG 96 HG2 ARG 96 12.772 -1.124 28.959 596 2HG ARG 96 HG1 ARG 96 12.319 -1.809 27.397 597 1HD ARG 96 HD2 ARG 96 13.906 -3.216 29.540 598 2HD ARG 96 HD1 ARG 96 12.195 -3.467 29.202 599 HE ARG 96 HE ARG 96 14.396 -4.599 27.798 600 1HH1 ARG 96 HH11 ARG 96 11.138 -3.420 27.376 601 2HH1 ARG 96 HH12 ARG 96 10.824 -4.416 25.994 602 1HH2 ARG 96 HH21 ARG 96 13.984 -5.911 25.981 603 2HH2 ARG 96 HH22 ARG 96 12.438 -5.831 25.203 604 H ALA 97 HN ALA 97 15.273 -1.193 30.937 605 HA ALA 97 HA ALA 97 17.484 -3.017 30.660 606 1HB ALA 97 HB1 ALA 97 18.273 -0.475 31.016 607 2HB ALA 97 HB2 ALA 97 19.160 -1.863 31.644 608 3HB ALA 97 HB3 ALA 97 18.070 -0.964 32.698 609 H ASP 98 HN ASP 98 17.282 -4.625 32.089 610 HA ASP 98 HA ASP 98 15.102 -4.648 33.919 611 1HB ASP 98 HB2 ASP 98 16.064 -6.878 34.598 612 2HB ASP 98 HB1 ASP 98 15.706 -6.715 32.881 613 H GLU 99 HN GLU 99 15.154 -3.455 35.713 614 HA GLU 99 HA GLU 99 17.105 -3.988 37.734 615 1HB GLU 99 HB2 GLU 99 17.740 -1.929 35.944 616 2HB GLU 99 HB1 GLU 99 17.142 -1.112 37.381 617 1HG GLU 99 HG2 GLU 99 19.068 -3.291 37.844 618 2HG GLU 99 HG1 GLU 99 19.694 -1.857 37.031 619 H ARG 100 HN ARG 100 15.817 -4.189 39.438 620 HA ARG 100 HA ARG 100 14.179 -1.999 40.307 621 1HB ARG 100 HB2 ARG 100 12.945 -3.817 38.616 622 2HB ARG 100 HB1 ARG 100 12.482 -4.371 40.219 623 1HG ARG 100 HG2 ARG 100 11.384 -2.378 40.723 624 2HG ARG 100 HG1 ARG 100 12.198 -1.496 39.428 625 1HD ARG 100 HD2 ARG 100 10.982 -3.267 37.909 626 2HD ARG 100 HD1 ARG 100 9.895 -3.384 39.293 627 HE ARG 100 HE ARG 100 10.127 -1.191 37.447 628 1HH1 ARG 100 HH11 ARG 100 9.137 -2.143 40.656 629 2HH1 ARG 100 HH12 ARG 100 8.032 -0.823 40.842 630 1HH2 ARG 100 HH21 ARG 100 8.673 0.545 37.690 631 2HH2 ARG 100 HH22 ARG 100 7.768 0.703 39.158 632 H LEU 101 HN LEU 101 12.622 -3.151 42.180 633 HA LEU 101 HA LEU 101 12.626 -3.980 44.295 634 1HB LEU 101 HB2 LEU 101 14.519 -5.895 42.961 635 2HB LEU 101 HB1 LEU 101 14.113 -6.039 44.661 636 HG LEU 101 HG LEU 101 11.824 -5.864 42.795 637 H LYS 102 HN LYS 102 14.758 -1.987 43.303 638 HA LYS 102 HA LYS 102 16.594 -0.892 44.105 639 1HB LYS 102 HB2 LYS 102 14.828 -1.512 46.362 640 2HB LYS 102 HB1 LYS 102 16.486 -1.172 46.840 641 1HG LYS 102 HG2 LYS 102 16.312 1.008 46.357 642 2HG LYS 102 HG1 LYS 102 15.374 0.713 44.892 643 1HD LYS 102 HD2 LYS 102 14.171 0.349 47.616 644 2HD LYS 102 HD1 LYS 102 14.229 1.934 46.845 645 1HE LYS 102 HE2 LYS 102 12.153 1.147 46.198 646 2HE LYS 102 HE1 LYS 102 13.165 0.711 44.823 647 1HZ LYS 102 HZ1 LYS 102 12.898 -1.259 46.959 648 2HZ LYS 102 HZ2 LYS 102 13.013 -1.486 45.287 649 3HZ LYS 102 HZ3 LYS 102 11.545 -1.006 45.976 650 H ASP 103 HN ASP 103 18.332 -1.182 46.135 651 HA ASP 103 HA ASP 103 19.840 -3.495 45.317 652 1HB ASP 103 HB2 ASP 103 20.506 -0.978 46.238 653 2HB ASP 103 HB1 ASP 103 20.885 -2.010 47.614 654 H SER 104 HN SER 104 21.178 -4.344 47.496 655 HA SER 104 HA SER 104 19.178 -5.934 48.840 656 1HB SER 104 HB2 SER 104 21.991 -6.162 48.263 657 2HB SER 104 HB1 SER 104 21.709 -6.447 49.980 658 HG SER 104 HG SER 104 20.876 -8.298 49.479 659 H PHE 105 HN PHE 105 19.321 -6.275 51.228 660 HA PHE 105 HA PHE 105 19.153 -3.725 52.550 661 1HB PHE 105 HB2 PHE 105 18.287 -6.462 53.069 662 2HB PHE 105 HB1 PHE 105 18.911 -5.673 54.514 663 HD1 PHE 105 HD1 PHE 105 17.194 -4.932 55.834 664 HD2 PHE 105 HD2 PHE 105 16.879 -4.493 51.613 665 HE1 PHE 105 HE1 PHE 105 15.050 -3.760 56.120 666 HE2 PHE 105 HE2 PHE 105 14.734 -3.319 51.892 667 HZ PHE 105 HZ PHE 105 13.818 -2.951 54.148 668 H GLU 106 HN GLU 106 21.406 -6.390 52.420 669 HA GLU 106 HA GLU 106 23.502 -6.677 53.252 670 1HB GLU 106 HB2 GLU 106 23.236 -3.685 53.370 671 2HB GLU 106 HB1 GLU 106 24.683 -4.486 53.967 672 1HG GLU 106 HG2 GLU 106 25.419 -4.998 51.901 673 2HG GLU 106 HG1 GLU 106 23.795 -5.271 51.272 674 H ASN 107 HN ASN 107 24.747 -6.773 55.227 675 HA ASN 107 HA ASN 107 23.798 -5.713 57.676 676 1HB ASN 107 HB2 ASN 107 23.042 -7.826 58.721 677 2HB ASN 107 HB1 ASN 107 21.999 -7.329 57.392 Start of MODEL 10 1 1H MET 1 HT1 MET 1 6.188 -4.654 -9.990 2 2H MET 1 HT2 MET 1 7.629 -4.990 -9.120 3 3H MET 1 HT3 MET 1 6.832 -3.484 -8.917 4 HA MET 1 HA MET 1 6.037 -6.146 -7.999 5 1HB MET 1 HB2 MET 1 6.349 -3.431 -6.698 6 2HB MET 1 HB1 MET 1 5.821 -4.886 -5.864 7 1HG MET 1 HG2 MET 1 8.508 -4.390 -7.121 8 2HG MET 1 HG1 MET 1 8.138 -4.503 -5.401 9 1HE MET 1 HE1 MET 1 8.919 -6.444 -8.691 10 2HE MET 1 HE2 MET 1 9.734 -7.763 -7.850 11 3HE MET 1 HE3 MET 1 10.212 -6.093 -7.543 12 H THR 2 HN THR 2 4.340 -5.856 -9.828 13 HA THR 2 HA THR 2 2.265 -3.994 -9.609 14 HB THR 2 HB THR 2 0.928 -5.597 -10.930 15 HG1 THR 2 HG1 THR 2 1.859 -7.595 -11.460 16 H LEU 3 HN LEU 3 0.953 -3.669 -7.960 17 HA LEU 3 HA LEU 3 0.575 -5.581 -5.897 18 1HB LEU 3 HB2 LEU 3 -0.664 -3.954 -4.773 19 2HB LEU 3 HB1 LEU 3 0.576 -3.082 -5.633 20 HG LEU 3 HG LEU 3 -1.331 -1.767 -5.889 21 H ASN 4 HN ASN 4 -0.900 -7.066 -5.614 22 HA ASN 4 HA ASN 4 -2.959 -7.385 -7.646 23 1HB ASN 4 HB2 ASN 4 -2.282 -9.228 -5.358 24 2HB ASN 4 HB1 ASN 4 -3.244 -9.614 -6.779 25 H ILE 5 HN ILE 5 -5.150 -7.961 -7.012 26 HA ILE 5 HA ILE 5 -5.967 -6.761 -4.453 27 HB ILE 5 HB ILE 5 -7.560 -6.475 -7.001 28 H THR 6 HN THR 6 -7.982 -7.569 -3.588 29 HA THR 6 HA THR 6 -9.175 -9.888 -4.830 30 HB THR 6 HB THR 6 -7.727 -10.152 -2.189 31 HG1 THR 6 HG1 THR 6 -6.243 -10.349 -3.783 32 H SER 7 HN SER 7 -10.823 -8.094 -4.670 33 HA SER 7 HA SER 7 -11.945 -7.601 -2.053 34 1HB SER 7 HB2 SER 7 -13.748 -6.873 -4.157 35 2HB SER 7 HB1 SER 7 -12.845 -5.833 -3.083 36 HG SER 7 HG SER 7 -12.297 -5.434 -5.248 37 H LYS 8 HN LYS 8 -13.398 -8.872 -1.066 38 HA LYS 8 HA LYS 8 -14.236 -11.310 -2.165 39 1HB LYS 8 HB2 LYS 8 -15.225 -11.752 -0.132 40 2HB LYS 8 HB1 LYS 8 -14.036 -10.539 0.317 41 1HG LYS 8 HG2 LYS 8 -15.839 -8.824 0.169 42 2HG LYS 8 HG1 LYS 8 -16.991 -10.136 -0.078 43 1HD LYS 8 HD2 LYS 8 -16.730 -10.947 2.074 44 2HD LYS 8 HD1 LYS 8 -15.141 -10.205 2.269 45 1HE LYS 8 HE2 LYS 8 -16.812 -8.047 1.872 46 2HE LYS 8 HE1 LYS 8 -17.788 -9.140 2.850 47 1HZ LYS 8 HZ1 LYS 8 -16.466 -8.867 4.630 48 2HZ LYS 8 HZ2 LYS 8 -16.023 -7.426 3.864 49 3HZ LYS 8 HZ3 LYS 8 -15.042 -8.795 3.719 50 H GLN 9 HN GLN 9 -16.051 -8.287 -1.702 51 HA GLN 9 HA GLN 9 -18.224 -9.450 -3.292 52 1HB GLN 9 HB2 GLN 9 -19.371 -7.213 -2.446 53 2HB GLN 9 HB1 GLN 9 -19.312 -8.659 -1.450 54 1HG GLN 9 HG2 GLN 9 -17.434 -7.790 -0.222 55 2HG GLN 9 HG1 GLN 9 -17.347 -6.388 -1.284 56 H MET 10 HN MET 10 -17.810 -5.983 -2.996 57 HA MET 10 HA MET 10 -18.252 -5.338 -5.600 58 1HB MET 10 HB2 MET 10 -17.031 -3.229 -5.163 59 2HB MET 10 HB1 MET 10 -18.158 -3.652 -3.885 60 1HG MET 10 HG2 MET 10 -16.060 -4.758 -2.803 61 2HG MET 10 HG1 MET 10 -15.189 -3.660 -3.868 62 1HE MET 10 HE1 MET 10 -14.360 -1.195 -2.069 63 2HE MET 10 HE2 MET 10 -14.016 -2.924 -2.095 64 3HE MET 10 HE3 MET 10 -14.568 -2.161 -0.608 65 H ASP 11 HN ASP 11 -17.295 -6.258 -7.306 66 HA ASP 11 HA ASP 11 -14.727 -7.313 -7.386 67 1HB ASP 11 HB2 ASP 11 -16.223 -6.210 -9.768 68 2HB ASP 11 HB1 ASP 11 -14.998 -7.476 -9.771 69 H ILE 12 HN ILE 12 -13.204 -6.453 -9.335 70 HA ILE 12 HA ILE 12 -12.388 -3.787 -8.441 71 HB ILE 12 HB ILE 12 -10.523 -4.872 -10.320 72 H THR 13 HN THR 13 -11.967 -2.124 -9.849 73 HA THR 13 HA THR 13 -12.564 -2.409 -12.669 74 HB THR 13 HB THR 13 -13.999 -0.143 -12.080 75 HG1 THR 13 HG1 THR 13 -14.633 -2.069 -10.108 76 HA PRO 14 HA PRO 14 -9.706 0.827 -13.639 77 1HB PRO 14 HB2 PRO 14 -11.976 2.773 -13.806 78 2HB PRO 14 HB1 PRO 14 -10.597 2.568 -14.894 79 1HG PRO 14 HG2 PRO 14 -12.982 1.568 -15.532 80 2HG PRO 14 HG1 PRO 14 -11.494 0.673 -15.890 81 1HD PRO 14 HD2 PRO 14 -13.560 0.153 -13.835 82 2HD PRO 14 HD1 PRO 14 -12.451 -0.978 -14.633 83 H ALA 15 HN ALA 15 -12.326 2.208 -11.624 84 HA ALA 15 HA ALA 15 -10.892 4.190 -10.354 85 1HB ALA 15 HB1 ALA 15 -13.314 2.637 -9.707 86 2HB ALA 15 HB2 ALA 15 -13.063 4.382 -9.764 87 3HB ALA 15 HB3 ALA 15 -12.538 3.460 -8.355 88 H ILE 16 HN ILE 16 -11.770 1.359 -8.403 89 HA ILE 16 HA ILE 16 -9.765 1.570 -6.540 90 HB ILE 16 HB ILE 16 -9.947 -1.061 -6.499 91 H ARG 17 HN ARG 17 -9.686 -0.636 -9.351 92 HA ARG 17 HA ARG 17 -7.180 -1.661 -9.187 93 1HB ARG 17 HB2 ARG 17 -8.873 -2.011 -11.042 94 2HB ARG 17 HB1 ARG 17 -8.255 -0.537 -11.778 95 1HG ARG 17 HG2 ARG 17 -5.969 -1.650 -11.694 96 2HG ARG 17 HG1 ARG 17 -6.839 -3.145 -11.352 97 1HD ARG 17 HD2 ARG 17 -8.165 -2.759 -13.430 98 2HD ARG 17 HD1 ARG 17 -7.113 -1.390 -13.784 99 HE ARG 17 HE ARG 17 -5.838 -3.975 -13.369 100 1HH1 ARG 17 HH11 ARG 17 -6.956 -1.559 -15.636 101 2HH1 ARG 17 HH12 ARG 17 -5.974 -2.148 -16.933 102 1HH2 ARG 17 HH21 ARG 17 -4.553 -4.745 -15.080 103 2HH2 ARG 17 HH22 ARG 17 -4.612 -3.954 -16.620 104 H GLU 18 HN GLU 18 -7.904 1.363 -10.939 105 HA GLU 18 HA GLU 18 -5.248 2.174 -11.317 106 1HB GLU 18 HB2 GLU 18 -7.116 3.146 -12.566 107 2HB GLU 18 HB1 GLU 18 -7.754 3.860 -11.090 108 1HG GLU 18 HG2 GLU 18 -6.019 5.418 -10.958 109 2HG GLU 18 HG1 GLU 18 -5.006 4.521 -12.088 110 H HIS 19 HN HIS 19 -7.525 2.771 -8.686 111 HA HIS 19 HA HIS 19 -6.000 4.648 -7.254 112 1HB HIS 19 HB2 HIS 19 -8.474 3.854 -6.975 113 2HB HIS 19 HB1 HIS 19 -7.781 2.624 -5.927 114 HD1 HIS 19 HD1 HIS 19 -6.620 6.223 -6.014 115 HD2 HIS 19 HD2 HIS 19 -8.735 3.583 -3.630 116 HE1 HIS 19 HE1 HIS 19 -6.987 7.443 -3.841 117 HE2 HIS 19 HE2 HIS 19 -8.371 5.862 -2.446 118 H LEU 20 HN LEU 20 -6.571 1.262 -6.379 119 HA LEU 20 HA LEU 20 -4.618 0.841 -4.531 120 1HB LEU 20 HB2 LEU 20 -5.230 -1.176 -6.670 121 2HB LEU 20 HB1 LEU 20 -4.801 -1.466 -4.994 122 HG LEU 20 HG LEU 20 -7.394 -0.233 -5.929 123 H GLU 21 HN GLU 21 -4.269 0.493 -8.054 124 HA GLU 21 HA GLU 21 -1.546 -0.196 -8.064 125 1HB GLU 21 HB2 GLU 21 -3.242 1.181 -10.149 126 2HB GLU 21 HB1 GLU 21 -1.595 0.638 -10.437 127 1HG GLU 21 HG2 GLU 21 -2.203 -1.637 -10.159 128 2HG GLU 21 HG1 GLU 21 -3.795 -1.203 -9.546 129 H GLU 22 HN GLU 22 -3.085 2.962 -8.667 130 HA GLU 22 HA GLU 22 -0.785 4.498 -8.868 131 1HB GLU 22 HB2 GLU 22 -3.033 5.369 -9.353 132 2HB GLU 22 HB1 GLU 22 -3.435 5.298 -7.642 133 1HG GLU 22 HG2 GLU 22 -2.929 7.531 -8.010 134 2HG GLU 22 HG1 GLU 22 -1.456 6.876 -7.298 135 H ARG 23 HN ARG 23 -2.592 3.521 -5.990 136 HA ARG 23 HA ARG 23 -1.119 4.969 -4.096 137 1HB ARG 23 HB2 ARG 23 -2.815 2.507 -3.969 138 2HB ARG 23 HB1 ARG 23 -1.849 2.962 -2.571 139 1HG ARG 23 HG2 ARG 23 -3.998 4.593 -3.905 140 2HG ARG 23 HG1 ARG 23 -4.042 3.856 -2.305 141 1HD ARG 23 HD2 ARG 23 -1.940 5.308 -1.857 142 2HD ARG 23 HD1 ARG 23 -2.498 6.236 -3.245 143 HE ARG 23 HE ARG 23 -3.763 6.057 -0.632 144 1HH1 ARG 23 HH11 ARG 23 -3.995 7.135 -3.948 145 2HH1 ARG 23 HH12 ARG 23 -5.224 8.305 -3.609 146 1HH2 ARG 23 HH21 ARG 23 -5.387 7.590 -0.194 147 2HH2 ARG 23 HH22 ARG 23 -6.017 8.561 -1.483 148 H LEU 24 HN LEU 24 -0.700 1.656 -5.336 149 HA LEU 24 HA LEU 24 1.549 1.000 -3.789 150 1HB LEU 24 HB2 LEU 24 0.119 -0.505 -5.326 151 2HB LEU 24 HB1 LEU 24 1.155 0.059 -6.622 152 HG LEU 24 HG LEU 24 2.042 -2.018 -5.976 153 H ALA 25 HN ALA 25 1.281 2.396 -7.044 154 HA ALA 25 HA ALA 25 4.006 2.701 -7.575 155 1HB ALA 25 HB1 ALA 25 2.676 4.911 -8.720 156 2HB ALA 25 HB2 ALA 25 1.535 3.566 -8.736 157 3HB ALA 25 HB3 ALA 25 3.116 3.389 -9.496 158 H LYS 26 HN LYS 26 1.792 4.561 -5.627 159 HA LYS 26 HA LYS 26 3.498 6.827 -5.282 160 1HB LYS 26 HB2 LYS 26 0.874 6.437 -4.850 161 2HB LYS 26 HB1 LYS 26 1.467 6.168 -3.217 162 1HG LYS 26 HG2 LYS 26 1.127 8.397 -3.080 163 2HG LYS 26 HG1 LYS 26 2.762 8.434 -3.745 164 1HD LYS 26 HD2 LYS 26 0.342 8.423 -5.522 165 2HD LYS 26 HD1 LYS 26 0.979 9.921 -4.843 166 1HE LYS 26 HE2 LYS 26 3.233 8.728 -5.833 167 2HE LYS 26 HE1 LYS 26 2.010 8.243 -7.008 168 1HZ LYS 26 HZ1 LYS 26 3.118 10.353 -7.566 169 2HZ LYS 26 HZ2 LYS 26 2.496 11.044 -6.154 170 3HZ LYS 26 HZ3 LYS 26 1.446 10.528 -7.374 171 H LEU 27 HN LEU 27 2.821 3.868 -3.470 172 HA LEU 27 HA LEU 27 4.555 4.552 -1.294 173 1HB LEU 27 HB2 LEU 27 2.919 2.207 -2.072 174 2HB LEU 27 HB1 LEU 27 4.309 1.874 -1.057 175 HG LEU 27 HG LEU 27 1.983 3.685 -0.415 176 H GLY 28 HN GLY 28 5.100 3.512 -4.457 177 1HA GLY 28 HA2 GLY 28 7.299 1.785 -4.160 178 2HA GLY 28 HA1 GLY 28 6.985 2.801 -5.559 179 H LYS 29 HN LYS 29 7.031 5.263 -4.017 180 HA LYS 29 HA LYS 29 9.838 5.790 -4.136 181 1HB LYS 29 HB2 LYS 29 8.345 7.539 -4.791 182 2HB LYS 29 HB1 LYS 29 7.448 7.427 -3.286 183 1HG LYS 29 HG2 LYS 29 9.921 8.040 -2.362 184 2HG LYS 29 HG1 LYS 29 9.921 8.868 -3.915 185 1HD LYS 29 HD2 LYS 29 8.779 10.516 -2.952 186 2HD LYS 29 HD1 LYS 29 7.417 9.406 -2.798 187 1HE LYS 29 HE2 LYS 29 7.801 10.259 -0.631 188 2HE LYS 29 HE1 LYS 29 8.471 8.627 -0.631 189 1HZ LYS 29 HZ1 LYS 29 10.006 10.091 0.434 190 2HZ LYS 29 HZ2 LYS 29 9.981 11.171 -0.868 191 3HZ LYS 29 HZ3 LYS 29 10.672 9.639 -1.055 192 H TRP 30 HN TRP 30 7.551 5.021 -1.638 193 HA TRP 30 HA TRP 30 8.974 5.934 0.599 194 1HB TRP 30 HB2 TRP 30 6.764 4.002 0.124 195 2HB TRP 30 HB1 TRP 30 7.583 3.958 1.679 196 HD1 TRP 30 HD1 TRP 30 5.284 6.173 -0.421 197 HE1 TRP 30 HE1 TRP 30 4.332 8.025 1.095 198 HE3 TRP 30 HE3 TRP 30 8.091 5.313 3.738 199 HZ2 TRP 30 HZ2 TRP 30 4.733 8.990 3.730 200 HZ3 TRP 30 HZ3 TRP 30 7.764 6.741 5.709 201 HH2 TRP 30 HH2 TRP 30 6.118 8.544 5.706 202 H GLN 31 HN GLN 31 11.142 5.304 -0.112 203 HA GLN 31 HA GLN 31 12.677 3.444 -0.605 204 1HB GLN 31 HB2 GLN 31 13.802 3.376 1.743 205 2HB GLN 31 HB1 GLN 31 13.749 4.886 0.846 206 1HG GLN 31 HG2 GLN 31 11.590 4.246 2.801 207 2HG GLN 31 HG1 GLN 31 13.147 4.845 3.371 208 H THR 32 HN THR 32 10.951 1.733 -0.953 209 HA THR 32 HA THR 32 11.505 -0.462 0.811 210 HB THR 32 HB THR 32 8.707 0.649 0.530 211 HG1 THR 32 HG1 THR 32 9.488 1.677 2.211 212 H GLN 33 HN GLN 33 10.522 -2.471 0.003 213 HA GLN 33 HA GLN 33 9.867 -2.395 -2.853 214 1HB GLN 33 HB2 GLN 33 11.086 -4.707 -2.856 215 2HB GLN 33 HB1 GLN 33 12.011 -3.225 -3.035 216 1HG GLN 33 HG2 GLN 33 11.603 -4.383 -0.322 217 2HG GLN 33 HG1 GLN 33 12.803 -5.091 -1.401 218 H LEU 34 HN LEU 34 7.741 -2.638 -2.437 219 HA LEU 34 HA LEU 34 6.528 -4.201 -0.564 220 1HB LEU 34 HB2 LEU 34 5.510 -3.638 -3.344 221 2HB LEU 34 HB1 LEU 34 4.535 -4.128 -1.977 222 HG LEU 34 HG LEU 34 4.135 -1.913 -1.807 223 H ILE 35 HN ILE 35 7.486 -6.178 -0.285 224 HA ILE 35 HA ILE 35 7.966 -8.085 -2.286 225 HB ILE 35 HB ILE 35 7.478 -8.372 0.680 226 H SER 36 HN SER 36 6.231 -8.308 -3.655 227 HA SER 36 HA SER 36 4.149 -8.894 -4.403 228 1HB SER 36 HB2 SER 36 5.298 -11.009 -2.913 229 2HB SER 36 HB1 SER 36 3.589 -10.974 -2.476 230 HG SER 36 HG SER 36 3.430 -12.077 -4.279 231 HA PRO 37 HA PRO 37 1.659 -6.768 -1.268 232 1HB PRO 37 HB2 PRO 37 1.050 -4.632 -2.766 233 2HB PRO 37 HB1 PRO 37 2.623 -4.803 -1.980 234 1HG PRO 37 HG2 PRO 37 1.915 -5.081 -4.833 235 2HG PRO 37 HG1 PRO 37 3.454 -4.636 -4.103 236 1HD PRO 37 HD2 PRO 37 2.643 -7.179 -5.102 237 2HD PRO 37 HD1 PRO 37 4.172 -6.742 -4.327 238 H HIS 38 HN HIS 38 -0.491 -6.835 -0.961 239 HA HIS 38 HA HIS 38 -2.246 -7.392 -3.262 240 1HB HIS 38 HB2 HIS 38 -1.780 -9.002 -0.919 241 2HB HIS 38 HB1 HIS 38 -3.457 -8.507 -0.988 242 HD1 HIS 38 HD1 HIS 38 -1.319 -11.111 -2.082 243 HD2 HIS 38 HD2 HIS 38 -4.561 -9.112 -3.733 244 HE1 HIS 38 HE1 HIS 38 -2.218 -12.642 -3.863 245 HE2 HIS 38 HE2 HIS 38 -4.110 -11.363 -4.925 246 H PHE 39 HN PHE 39 -4.622 -7.123 -2.489 247 HA PHE 39 HA PHE 39 -4.976 -5.057 -0.517 248 1HB PHE 39 HB2 PHE 39 -4.865 -4.420 -3.341 249 2HB PHE 39 HB1 PHE 39 -6.412 -3.991 -2.621 250 HD1 PHE 39 HD1 PHE 39 -6.661 -2.110 -1.282 251 HD2 PHE 39 HD2 PHE 39 -2.761 -3.519 -2.239 252 HE1 PHE 39 HE1 PHE 39 -5.690 -0.076 -0.299 253 HE2 PHE 39 HE2 PHE 39 -1.781 -1.486 -1.253 254 HZ PHE 39 HZ PHE 39 -3.250 0.238 -0.281 255 H VAL 40 HN VAL 40 -6.366 -6.270 0.651 256 HA VAL 40 HA VAL 40 -8.620 -7.549 -0.656 257 HB VAL 40 HB VAL 40 -7.736 -7.501 2.236 258 H LEU 41 HN LEU 41 -9.965 -5.923 -1.298 259 HA LEU 41 HA LEU 41 -10.854 -3.994 0.725 260 1HB LEU 41 HB2 LEU 41 -11.570 -2.586 -1.061 261 2HB LEU 41 HB1 LEU 41 -9.923 -3.084 -1.374 262 HG LEU 41 HG LEU 41 -12.285 -4.413 -2.663 263 H ASN 42 HN ASN 42 -13.018 -3.604 1.127 264 HA ASN 42 HA ASN 42 -15.014 -5.144 -0.269 265 1HB ASN 42 HB2 ASN 42 -14.828 -5.481 2.718 266 2HB ASN 42 HB1 ASN 42 -15.892 -6.325 1.602 267 H LYS 43 HN LYS 43 -17.222 -4.710 0.609 268 HA LYS 43 HA LYS 43 -17.430 -1.946 1.641 269 1HB LYS 43 HB2 LYS 43 -18.251 -1.519 -0.444 270 2HB LYS 43 HB1 LYS 43 -18.617 -3.207 -0.765 271 1HG LYS 43 HG2 LYS 43 -20.644 -3.014 0.630 272 2HG LYS 43 HG1 LYS 43 -20.285 -1.310 0.893 273 1HD LYS 43 HD2 LYS 43 -20.171 -1.462 -1.823 274 2HD LYS 43 HD1 LYS 43 -21.416 -2.659 -1.460 275 1HE LYS 43 HE2 LYS 43 -22.494 -0.882 -0.004 276 2HE LYS 43 HE1 LYS 43 -21.380 0.264 -0.748 277 1HZ LYS 43 HZ1 LYS 43 -23.789 -0.282 -1.723 278 2HZ LYS 43 HZ2 LYS 43 -22.879 -1.421 -2.579 279 3HZ LYS 43 HZ3 LYS 43 -22.494 0.222 -2.688 280 H VAL 44 HN VAL 44 -19.667 -1.540 2.540 281 HA VAL 44 HA VAL 44 -21.252 -3.740 3.350 282 HB VAL 44 HB VAL 44 -20.859 -3.089 5.845 283 HA PRO 45 HA PRO 45 -24.453 -0.781 3.801 284 1HB PRO 45 HB2 PRO 45 -24.939 -1.840 6.543 285 2HB PRO 45 HB1 PRO 45 -26.071 -1.624 5.204 286 1HG PRO 45 HG2 PRO 45 -25.167 -4.045 5.835 287 2HG PRO 45 HG1 PRO 45 -25.390 -3.570 4.140 288 1HD PRO 45 HD2 PRO 45 -22.876 -3.826 5.724 289 2HD PRO 45 HD1 PRO 45 -23.170 -4.172 4.009 290 H ASN 46 HN ASN 46 -22.520 -1.181 6.751 291 HA ASN 46 HA ASN 46 -23.056 1.504 7.638 292 1HB ASN 46 HB2 ASN 46 -22.320 -0.795 8.919 293 2HB ASN 46 HB1 ASN 46 -20.797 0.089 8.878 294 H GLY 47 HN GLY 47 -21.172 0.466 5.174 295 1HA GLY 47 HA2 GLY 47 -19.923 2.590 4.360 296 2HA GLY 47 HA1 GLY 47 -18.925 2.226 5.760 297 H PHE 48 HN PHE 48 -17.249 2.077 4.163 298 HA PHE 48 HA PHE 48 -17.225 -0.434 2.661 299 1HB PHE 48 HB2 PHE 48 -15.767 2.146 2.310 300 2HB PHE 48 HB1 PHE 48 -15.115 0.688 1.635 301 HD1 PHE 48 HD1 PHE 48 -16.112 -0.372 -0.249 302 HD2 PHE 48 HD2 PHE 48 -17.840 3.120 1.449 303 HE1 PHE 48 HE1 PHE 48 -17.489 -0.088 -2.262 304 HE2 PHE 48 HE2 PHE 48 -19.229 3.413 -0.563 305 HZ PHE 48 HZ PHE 48 -19.042 1.805 -2.424 306 H SER 49 HN SER 49 -16.057 -2.060 3.468 307 HA SER 49 HA SER 49 -14.032 -1.438 5.487 308 1HB SER 49 HB2 SER 49 -14.330 -4.241 5.216 309 2HB SER 49 HB1 SER 49 -14.796 -3.223 6.569 310 HG SER 49 HG SER 49 -16.669 -4.133 5.948 311 H VAL 50 HN VAL 50 -12.053 -1.413 4.892 312 HA VAL 50 HA VAL 50 -11.203 -3.025 2.577 313 HB VAL 50 HB VAL 50 -11.487 -0.651 1.972 314 H GLU 51 HN GLU 51 -9.060 -3.772 2.588 315 HA GLU 51 HA GLU 51 -7.367 -3.240 4.882 316 1HB GLU 51 HB2 GLU 51 -8.594 -5.008 5.846 317 2HB GLU 51 HB1 GLU 51 -8.630 -5.911 4.347 318 1HG GLU 51 HG2 GLU 51 -6.795 -7.015 4.894 319 2HG GLU 51 HG1 GLU 51 -5.915 -5.514 5.169 320 H ALA 52 HN ALA 52 -5.268 -3.337 4.373 321 HA ALA 52 HA ALA 52 -4.570 -4.424 1.723 322 1HB ALA 52 HB1 ALA 52 -2.798 -2.753 1.620 323 2HB ALA 52 HB2 ALA 52 -3.266 -2.146 3.209 324 3HB ALA 52 HB3 ALA 52 -4.373 -1.991 1.845 325 H SER 53 HN SER 53 -2.487 -5.381 1.474 326 HA SER 53 HA SER 53 -1.012 -6.069 3.882 327 1HB SER 53 HB2 SER 53 -1.472 -8.427 2.194 328 2HB SER 53 HB1 SER 53 -1.517 -8.273 3.948 329 HG SER 53 HG SER 53 -3.619 -7.281 3.653 330 H ILE 54 HN ILE 54 0.980 -5.418 3.342 331 HA ILE 54 HA ILE 54 2.076 -6.350 0.775 332 HB ILE 54 HB ILE 54 2.554 -3.625 1.997 333 H GLY 55 HN GLY 55 4.176 -7.096 0.847 334 1HA GLY 55 HA2 GLY 55 5.284 -7.444 3.516 335 2HA GLY 55 HA1 GLY 55 5.716 -8.371 2.102 336 H THR 56 HN THR 56 7.379 -7.038 4.000 337 HA THR 56 HA THR 56 8.916 -5.421 2.120 338 HB THR 56 HB THR 56 9.067 -3.572 3.379 339 HG1 THR 56 HG1 THR 56 8.733 -4.437 5.923 340 HA PRO 57 HA PRO 57 12.255 -8.097 3.338 341 1HB PRO 57 HB2 PRO 57 13.974 -5.695 3.087 342 2HB PRO 57 HB1 PRO 57 14.121 -7.269 2.302 343 1HG PRO 57 HG2 PRO 57 13.281 -5.092 0.977 344 2HG PRO 57 HG1 PRO 57 12.673 -6.711 0.607 345 1HD PRO 57 HD2 PRO 57 11.353 -4.465 2.037 346 2HD PRO 57 HD1 PRO 57 10.654 -5.747 1.028 347 H LEU 58 HN LEU 58 11.437 -5.098 4.866 348 HA LEU 58 HA LEU 58 13.206 -5.610 7.128 349 1HB LEU 58 HB2 LEU 58 11.503 -3.272 6.310 350 2HB LEU 58 HB1 LEU 58 12.189 -3.385 7.920 351 HG LEU 58 HG LEU 58 14.374 -3.834 6.288 352 H GLY 59 HN GLY 59 9.914 -5.947 6.184 353 1HA GLY 59 HA2 GLY 59 9.083 -7.642 8.110 354 2HA GLY 59 HA1 GLY 59 8.850 -6.083 8.865 355 H ASN 60 HN ASN 60 7.074 -8.329 7.655 356 HA ASN 60 HA ASN 60 5.665 -7.536 5.468 357 1HB ASN 60 HB2 ASN 60 4.405 -8.644 7.978 358 2HB ASN 60 HB1 ASN 60 3.770 -8.752 6.343 359 H LEU 61 HN LEU 61 3.408 -6.656 5.396 360 HA LEU 61 HA LEU 61 2.860 -4.545 7.327 361 1HB LEU 61 HB2 LEU 61 4.014 -4.075 4.728 362 2HB LEU 61 HB1 LEU 61 2.427 -3.347 4.818 363 HG LEU 61 HG LEU 61 3.322 -2.360 7.078 364 H LEU 62 HN LEU 62 0.738 -3.892 7.379 365 HA LEU 62 HA LEU 62 -1.172 -4.786 5.440 366 1HB LEU 62 HB2 LEU 62 -1.039 -6.036 8.171 367 2HB LEU 62 HB1 LEU 62 -2.541 -5.951 7.277 368 HG LEU 62 HG LEU 62 -0.717 -7.064 5.478 369 H ALA 63 HN ALA 63 -3.439 -4.211 6.259 370 HA ALA 63 HA ALA 63 -3.747 -2.325 8.340 371 1HB ALA 63 HB1 ALA 63 -4.296 -0.378 6.764 372 2HB ALA 63 HB2 ALA 63 -3.326 -1.249 5.576 373 3HB ALA 63 HB3 ALA 63 -2.599 -0.729 7.097 374 H SER 64 HN SER 64 -5.917 -1.261 8.258 375 HA SER 64 HA SER 64 -7.869 -2.273 6.431 376 1HB SER 64 HB2 SER 64 -9.163 -3.330 8.495 377 2HB SER 64 HB1 SER 64 -8.019 -4.278 7.545 378 HG SER 64 HG SER 64 -7.099 -4.587 9.411 379 H ALA 65 HN ALA 65 -9.732 -1.080 6.473 380 HA ALA 65 HA ALA 65 -10.361 0.576 8.763 381 1HB ALA 65 HB1 ALA 65 -10.272 2.236 6.367 382 2HB ALA 65 HB2 ALA 65 -8.686 1.661 6.883 383 3HB ALA 65 HB3 ALA 65 -9.701 2.570 8.003 384 H THR 66 HN THR 66 -12.474 1.228 8.828 385 HA THR 66 HA THR 66 -14.180 0.428 6.564 386 HB THR 66 HB THR 66 -14.814 0.221 9.514 387 HG1 THR 66 HG1 THR 66 -13.795 -1.594 9.222 388 H SER 67 HN SER 67 -15.062 2.186 5.649 389 HA SER 67 HA SER 67 -16.328 4.173 7.328 390 1HB SER 67 HB2 SER 67 -13.721 4.629 6.169 391 2HB SER 67 HB1 SER 67 -14.894 5.766 5.523 392 HG SER 67 HG SER 67 -14.534 5.256 8.288 393 H ASP 68 HN ASP 68 -17.762 5.554 6.184 394 HA ASP 68 HA ASP 68 -18.993 4.306 3.944 395 1HB ASP 68 HB2 ASP 68 -19.895 5.982 5.856 396 2HB ASP 68 HB1 ASP 68 -19.650 7.133 4.547 397 H ASP 69 HN ASP 69 -16.245 6.154 4.128 398 HA ASP 69 HA ASP 69 -16.655 7.287 1.449 399 1HB ASP 69 HB2 ASP 69 -16.134 8.898 3.266 400 2HB ASP 69 HB1 ASP 69 -14.602 8.075 3.519 401 H MET 70 HN MET 70 -16.123 5.583 0.212 402 HA MET 70 HA MET 70 -14.353 3.607 0.353 403 1HB MET 70 HB2 MET 70 -15.635 5.093 -1.751 404 2HB MET 70 HB1 MET 70 -14.056 4.533 -2.277 405 1HG MET 70 HG2 MET 70 -15.266 2.368 -0.961 406 2HG MET 70 HG1 MET 70 -16.504 3.085 -1.990 407 1HE MET 70 HE1 MET 70 -13.157 0.449 -2.786 408 2HE MET 70 HE2 MET 70 -13.269 1.614 -1.465 409 3HE MET 70 HE3 MET 70 -12.364 2.021 -2.934 410 H TYR 71 HN TYR 71 -13.366 6.505 -1.474 411 HA TYR 71 HA TYR 71 -10.671 5.763 -1.502 412 1HB TYR 71 HB2 TYR 71 -12.203 8.143 -2.325 413 2HB TYR 71 HB1 TYR 71 -10.482 8.394 -2.021 414 HD1 TYR 71 HD1 TYR 71 -11.520 5.093 -3.069 415 HD2 TYR 71 HD2 TYR 71 -10.218 8.894 -4.473 416 HE1 TYR 71 HE1 TYR 71 -10.968 4.082 -5.218 417 HE2 TYR 71 HE2 TYR 71 -9.674 7.895 -6.655 418 HH TYR 71 HH TYR 71 -10.668 4.737 -7.537 419 H LYS 72 HN LYS 72 -12.474 7.539 0.880 420 HA LYS 72 HA LYS 72 -10.158 8.602 2.184 421 1HB LYS 72 HB2 LYS 72 -12.454 9.508 2.462 422 2HB LYS 72 HB1 LYS 72 -12.821 8.061 3.371 423 1HG LYS 72 HG2 LYS 72 -10.568 8.980 4.615 424 2HG LYS 72 HG1 LYS 72 -11.424 10.464 4.195 425 1HD LYS 72 HD2 LYS 72 -12.717 8.139 5.610 426 2HD LYS 72 HD1 LYS 72 -11.982 9.504 6.452 427 1HE LYS 72 HE2 LYS 72 -13.565 11.016 5.622 428 2HE LYS 72 HE1 LYS 72 -14.081 9.911 4.348 429 1HZ LYS 72 HZ1 LYS 72 -15.753 9.908 5.999 430 2HZ LYS 72 HZ2 LYS 72 -14.637 9.702 7.253 431 3HZ LYS 72 HZ3 LYS 72 -14.929 8.440 6.166 432 H ALA 73 HN ALA 73 -12.143 5.707 2.394 433 HA ALA 73 HA ALA 73 -11.018 4.573 4.719 434 1HB ALA 73 HB1 ALA 73 -11.849 2.794 2.474 435 2HB ALA 73 HB2 ALA 73 -13.076 3.840 3.188 436 3HB ALA 73 HB3 ALA 73 -12.214 2.678 4.196 437 H ILE 74 HN ILE 74 -10.304 4.319 1.285 438 HA ILE 74 HA ILE 74 -7.972 2.712 1.506 439 HB ILE 74 HB ILE 74 -9.134 4.503 -0.605 440 H ASN 75 HN ASN 75 -8.727 6.100 1.607 441 HA ASN 75 HA ASN 75 -6.185 7.246 1.606 442 1HB ASN 75 HB2 ASN 75 -8.698 8.155 1.604 443 2HB ASN 75 HB1 ASN 75 -8.369 8.390 3.311 444 H GLU 76 HN GLU 76 -8.174 5.802 4.096 445 HA GLU 76 HA GLU 76 -6.473 6.447 6.298 446 1HB GLU 76 HB2 GLU 76 -9.040 5.317 5.924 447 2HB GLU 76 HB1 GLU 76 -8.087 4.112 6.784 448 1HG GLU 76 HG2 GLU 76 -7.521 5.785 8.483 449 2HG GLU 76 HG1 GLU 76 -8.508 6.971 7.629 450 H VAL 77 HN VAL 77 -7.163 3.371 4.593 451 HA VAL 77 HA VAL 77 -5.342 1.717 5.806 452 HB VAL 77 HB VAL 77 -5.699 1.674 2.819 453 H GLU 78 HN GLU 78 -4.771 3.722 2.921 454 HA GLU 78 HA GLU 78 -2.090 3.128 2.585 455 1HB GLU 78 HB2 GLU 78 -3.760 4.609 1.172 456 2HB GLU 78 HB1 GLU 78 -3.031 5.922 2.088 457 1HG GLU 78 HG2 GLU 78 -1.840 5.762 0.060 458 2HG GLU 78 HG1 GLU 78 -0.796 5.093 1.312 459 H GLU 79 HN GLU 79 -3.662 5.384 4.752 460 HA GLU 79 HA GLU 79 -1.302 6.691 5.632 461 1HB GLU 79 HB2 GLU 79 -3.982 7.107 6.008 462 2HB GLU 79 HB1 GLU 79 -3.505 6.471 7.576 463 1HG GLU 79 HG2 GLU 79 -1.808 8.204 7.778 464 2HG GLU 79 HG1 GLU 79 -2.255 8.834 6.193 465 H LYS 80 HN LYS 80 -3.150 3.899 6.782 466 HA LYS 80 HA LYS 80 -1.548 3.429 9.078 467 1HB LYS 80 HB2 LYS 80 -3.871 2.337 8.039 468 2HB LYS 80 HB1 LYS 80 -2.714 1.028 7.874 469 1HG LYS 80 HG2 LYS 80 -3.761 0.734 9.962 470 2HG LYS 80 HG1 LYS 80 -2.151 1.370 10.304 471 1HD LYS 80 HD2 LYS 80 -3.368 2.735 11.662 472 2HD LYS 80 HD1 LYS 80 -3.454 3.680 10.175 473 1HE LYS 80 HE2 LYS 80 -5.539 1.628 10.489 474 2HE LYS 80 HE1 LYS 80 -5.605 2.951 11.651 475 1HZ LYS 80 HZ1 LYS 80 -6.851 3.195 9.441 476 2HZ LYS 80 HZ2 LYS 80 -5.331 3.499 8.766 477 3HZ LYS 80 HZ3 LYS 80 -5.929 4.506 9.985 478 H LEU 81 HN LEU 81 -1.626 1.893 5.869 479 HA LEU 81 HA LEU 81 0.578 0.225 6.145 480 1HB LEU 81 HB2 LEU 81 -1.066 1.216 3.993 481 2HB LEU 81 HB1 LEU 81 0.611 1.177 3.486 482 HG LEU 81 HG LEU 81 -0.988 -0.885 3.122 483 H GLU 82 HN GLU 82 0.465 3.625 5.056 484 HA GLU 82 HA GLU 82 3.244 3.866 4.585 485 1HB GLU 82 HB2 GLU 82 1.302 5.443 3.922 486 2HB GLU 82 HB1 GLU 82 1.514 6.139 5.518 487 1HG GLU 82 HG2 GLU 82 3.432 7.168 4.963 488 2HG GLU 82 HG1 GLU 82 3.957 5.859 3.906 489 H ARG 83 HN ARG 83 1.198 4.523 7.382 490 HA ARG 83 HA ARG 83 3.096 5.584 9.117 491 1HB ARG 83 HB2 ARG 83 0.514 4.150 9.438 492 2HB ARG 83 HB1 ARG 83 1.552 4.233 10.854 493 1HG ARG 83 HG2 ARG 83 1.481 6.587 10.893 494 2HG ARG 83 HG1 ARG 83 0.794 6.668 9.270 495 1HD ARG 83 HD2 ARG 83 -1.291 6.412 10.030 496 2HD ARG 83 HD1 ARG 83 -0.827 5.089 11.098 497 HE ARG 83 HE ARG 83 -1.126 7.861 11.796 498 1HH1 ARG 83 HH11 ARG 83 0.410 4.846 12.651 499 2HH1 ARG 83 HH12 ARG 83 0.615 5.277 14.315 500 1HH2 ARG 83 HH21 ARG 83 -0.857 8.430 13.986 501 2HH2 ARG 83 HH22 ARG 83 -0.103 7.313 15.073 502 H GLN 84 HN GLN 84 2.155 2.193 8.606 503 HA GLN 84 HA GLN 84 4.009 1.100 10.440 504 1HB GLN 84 HB2 GLN 84 3.260 -0.480 8.028 505 2HB GLN 84 HB1 GLN 84 3.330 -0.974 9.711 506 1HG GLN 84 HG2 GLN 84 1.277 0.793 9.771 507 2HG GLN 84 HG1 GLN 84 1.109 0.123 8.150 508 H LEU 85 HN LEU 85 4.181 2.020 7.062 509 HA LEU 85 HA LEU 85 6.640 0.844 6.385 510 1HB LEU 85 HB2 LEU 85 4.870 2.886 5.303 511 2HB LEU 85 HB1 LEU 85 6.555 3.289 5.040 512 HG LEU 85 HG LEU 85 5.645 0.546 4.316 513 H ASN 86 HN ASN 86 5.962 4.206 7.329 514 HA ASN 86 HA ASN 86 8.603 5.023 7.687 515 1HB ASN 86 HB2 ASN 86 6.120 6.214 7.928 516 2HB ASN 86 HB1 ASN 86 6.719 6.230 9.584 517 H LYS 87 HN LYS 87 6.322 3.529 9.941 518 HA LYS 87 HA LYS 87 7.858 3.683 12.274 519 1HB LYS 87 HB2 LYS 87 5.517 2.255 11.373 520 2HB LYS 87 HB1 LYS 87 6.555 1.174 12.297 521 1HG LYS 87 HG2 LYS 87 6.174 2.255 14.242 522 2HG LYS 87 HG1 LYS 87 6.080 3.840 13.473 523 1HD LYS 87 HD2 LYS 87 3.846 3.219 12.587 524 2HD LYS 87 HD1 LYS 87 3.944 1.710 13.496 525 1HE LYS 87 HE2 LYS 87 4.489 3.489 15.449 526 2HE LYS 87 HE1 LYS 87 3.430 4.459 14.425 527 1HZ LYS 87 HZ1 LYS 87 2.061 2.185 14.532 528 2HZ LYS 87 HZ2 LYS 87 1.842 3.449 15.634 529 3HZ LYS 87 HZ3 LYS 87 2.817 2.129 16.045 530 H LEU 88 HN LEU 88 7.743 1.206 9.738 531 HA LEU 88 HA LEU 88 9.604 -0.544 10.870 532 1HB LEU 88 HB2 LEU 88 8.225 -0.393 8.411 533 2HB LEU 88 HB1 LEU 88 9.922 -0.431 7.987 534 HG LEU 88 HG LEU 88 9.198 -2.660 7.925 535 H GLN 89 HN GLN 89 10.088 1.853 8.321 536 HA GLN 89 HA GLN 89 12.872 1.760 8.230 537 1HB GLN 89 HB2 GLN 89 10.966 4.017 7.611 538 2HB GLN 89 HB1 GLN 89 12.692 4.099 7.284 539 1HG GLN 89 HG2 GLN 89 12.545 2.767 5.485 540 2HG GLN 89 HG1 GLN 89 11.342 1.719 6.229 541 H HIS 90 HN HIS 90 10.740 3.324 10.490 542 HA HIS 90 HA HIS 90 12.711 5.063 11.630 543 1HB HIS 90 HB2 HIS 90 9.945 4.195 12.398 544 2HB HIS 90 HB1 HIS 90 10.942 5.020 13.574 545 HD1 HIS 90 HD1 HIS 90 8.359 5.791 11.393 546 HD2 HIS 90 HD2 HIS 90 12.026 7.591 12.157 547 HE1 HIS 90 HE1 HIS 90 8.134 8.154 10.573 548 HE2 HIS 90 HE2 HIS 90 10.341 9.240 11.107 549 H LYS 91 HN LYS 91 11.115 2.090 12.704 550 HA LYS 91 HA LYS 91 12.342 1.675 15.085 551 1HB LYS 91 HB2 LYS 91 10.825 0.125 13.283 552 2HB LYS 91 HB1 LYS 91 12.226 -0.847 13.709 553 1HG LYS 91 HG2 LYS 91 10.886 -1.475 15.406 554 2HG LYS 91 HG1 LYS 91 11.534 -0.011 16.149 555 1HD LYS 91 HD2 LYS 91 9.000 -0.050 14.523 556 2HD LYS 91 HD1 LYS 91 9.026 -0.291 16.271 557 1HE LYS 91 HE2 LYS 91 9.873 1.883 16.652 558 2HE LYS 91 HE1 LYS 91 10.259 2.110 14.947 559 1HZ LYS 91 HZ1 LYS 91 7.467 1.590 15.614 560 2HZ LYS 91 HZ2 LYS 91 8.127 2.607 14.435 561 3HZ LYS 91 HZ3 LYS 91 8.087 3.103 16.050 562 H SER 92 HN SER 92 13.996 -0.119 15.580 563 HA SER 92 HA SER 92 16.395 0.459 14.002 564 1HB SER 92 HB2 SER 92 16.377 -0.995 16.637 565 2HB SER 92 HB1 SER 92 17.672 -0.043 15.910 566 HG SER 92 HG SER 92 16.796 1.740 16.653 567 H GLU 93 HN GLU 93 14.629 -2.280 15.409 568 HA GLU 93 HA GLU 93 15.518 -3.966 13.223 569 1HB GLU 93 HB2 GLU 93 16.256 -5.769 14.809 570 2HB GLU 93 HB1 GLU 93 17.317 -4.369 14.741 571 1HG GLU 93 HG2 GLU 93 15.916 -3.556 16.779 572 2HG GLU 93 HG1 GLU 93 15.498 -5.262 16.925 573 H SER 94 HN SER 94 12.992 -2.840 14.247 574 HA SER 94 HA SER 94 10.825 -3.454 14.553 575 1HB SER 94 HB2 SER 94 11.585 -6.231 13.664 576 2HB SER 94 HB1 SER 94 10.066 -5.373 13.409 577 HG SER 94 HG SER 94 12.573 -4.879 12.185 578 H ARG 95 HN ARG 95 11.163 -3.223 16.859 579 HA ARG 95 HA ARG 95 10.701 -5.757 18.250 580 1HB ARG 95 HB2 ARG 95 12.987 -3.940 18.628 581 2HB ARG 95 HB1 ARG 95 12.171 -4.409 20.114 582 1HG ARG 95 HG2 ARG 95 13.201 -6.350 18.057 583 2HG ARG 95 HG1 ARG 95 14.079 -5.865 19.509 584 1HD ARG 95 HD2 ARG 95 13.083 -7.745 20.314 585 2HD ARG 95 HD1 ARG 95 11.802 -6.585 20.664 586 HE ARG 95 HE ARG 95 11.575 -7.817 18.076 587 1HH1 ARG 95 HH11 ARG 95 10.806 -8.118 21.467 588 2HH1 ARG 95 HH12 ARG 95 9.453 -9.164 21.196 589 1HH2 ARG 95 HH21 ARG 95 9.797 -9.193 17.717 590 2HH2 ARG 95 HH22 ARG 95 8.880 -9.776 19.067 591 H ARG 96 HN ARG 96 11.228 -2.428 19.378 592 HA ARG 96 HA ARG 96 8.402 -2.278 20.147 593 1HB ARG 96 HB2 ARG 96 10.662 -1.505 21.995 594 2HB ARG 96 HB1 ARG 96 8.942 -1.472 22.358 595 1HG ARG 96 HG2 ARG 96 8.800 -3.805 22.451 596 2HG ARG 96 HG1 ARG 96 10.347 -4.018 21.630 597 1HD ARG 96 HD2 ARG 96 10.920 -4.456 23.819 598 2HD ARG 96 HD1 ARG 96 11.301 -2.740 23.690 599 HE ARG 96 HE ARG 96 9.619 -2.284 25.179 600 1HH1 ARG 96 HH11 ARG 96 9.268 -5.563 24.037 601 2HH1 ARG 96 HH12 ARG 96 8.028 -5.960 25.178 602 1HH2 ARG 96 HH21 ARG 96 7.990 -2.805 26.682 603 2HH2 ARG 96 HH22 ARG 96 7.303 -4.396 26.681 604 H ALA 97 HN ALA 97 7.512 -0.237 20.118 605 HA ALA 97 HA ALA 97 9.038 1.759 18.659 606 1HB ALA 97 HB1 ALA 97 6.973 1.680 17.703 607 2HB ALA 97 HB2 ALA 97 6.675 2.938 18.903 608 3HB ALA 97 HB3 ALA 97 6.164 1.280 19.218 609 H ASP 98 HN ASP 98 9.893 3.546 19.513 610 HA ASP 98 HA ASP 98 8.850 4.982 21.688 611 1HB ASP 98 HB2 ASP 98 9.959 2.744 22.666 612 2HB ASP 98 HB1 ASP 98 11.401 3.750 22.587 613 H GLU 99 HN GLU 99 9.282 6.698 20.306 614 HA GLU 99 HA GLU 99 12.062 7.590 20.329 615 1HB GLU 99 HB2 GLU 99 11.751 8.361 17.911 616 2HB GLU 99 HB1 GLU 99 12.032 6.646 18.176 617 1HG GLU 99 HG2 GLU 99 9.302 6.810 18.252 618 2HG GLU 99 HG1 GLU 99 9.726 8.018 17.041 619 H ARG 100 HN ARG 100 8.792 8.472 19.212 620 HA ARG 100 HA ARG 100 7.582 10.387 19.406 621 1HB ARG 100 HB2 ARG 100 9.342 10.599 21.841 622 2HB ARG 100 HB1 ARG 100 8.121 11.808 21.469 623 1HG ARG 100 HG2 ARG 100 7.340 8.935 21.571 624 2HG ARG 100 HG1 ARG 100 7.582 9.827 23.074 625 1HD ARG 100 HD2 ARG 100 6.058 11.577 21.673 626 2HD ARG 100 HD1 ARG 100 5.444 10.040 21.065 627 HE ARG 100 HE ARG 100 5.462 9.693 23.752 628 1HH1 ARG 100 HH11 ARG 100 4.120 12.139 21.656 629 2HH1 ARG 100 HH12 ARG 100 2.799 12.500 22.716 630 1HH2 ARG 100 HH21 ARG 100 3.725 10.166 25.147 631 2HH2 ARG 100 HH22 ARG 100 2.575 11.382 24.698 632 H LEU 101 HN LEU 101 7.870 11.786 17.798 633 HA LEU 101 HA LEU 101 10.405 13.052 17.311 634 1HB LEU 101 HB2 LEU 101 7.921 12.651 15.889 635 2HB LEU 101 HB1 LEU 101 8.450 14.318 15.751 636 HG LEU 101 HG LEU 101 9.304 13.096 13.877 637 H LYS 102 HN LYS 102 7.211 14.086 18.441 638 HA LYS 102 HA LYS 102 6.513 15.935 19.564 639 1HB LYS 102 HB2 LYS 102 9.453 16.194 20.222 640 2HB LYS 102 HB1 LYS 102 8.160 17.092 21.004 641 1HG LYS 102 HG2 LYS 102 7.204 14.987 21.821 642 2HG LYS 102 HG1 LYS 102 8.528 14.103 21.058 643 1HD LYS 102 HD2 LYS 102 9.125 14.340 23.334 644 2HD LYS 102 HD1 LYS 102 10.098 15.519 22.451 645 1HE LYS 102 HE2 LYS 102 7.949 17.029 23.017 646 2HE LYS 102 HE1 LYS 102 7.910 15.929 24.395 647 1HZ LYS 102 HZ1 LYS 102 10.483 17.128 23.711 648 2HZ LYS 102 HZ2 LYS 102 9.835 16.750 25.227 649 3HZ LYS 102 HZ3 LYS 102 9.322 18.141 24.411 650 H ASP 103 HN ASP 103 6.619 18.337 19.604 651 HA ASP 103 HA ASP 103 6.695 20.346 18.545 652 1HB ASP 103 HB2 ASP 103 9.303 19.121 17.922 653 2HB ASP 103 HB1 ASP 103 8.803 20.396 16.814 654 H SER 104 HN SER 104 8.143 18.483 15.900 655 HA SER 104 HA SER 104 7.456 18.067 13.772 656 1HB SER 104 HB2 SER 104 4.574 18.357 14.453 657 2HB SER 104 HB1 SER 104 5.393 17.095 13.534 658 HG SER 104 HG SER 104 4.985 17.327 16.278 659 H PHE 105 HN PHE 105 7.814 19.585 12.305 660 HA PHE 105 HA PHE 105 6.210 22.053 12.405 661 1HB PHE 105 HB2 PHE 105 8.713 22.257 12.710 662 2HB PHE 105 HB1 PHE 105 8.886 21.705 11.047 663 HD1 PHE 105 HD1 PHE 105 8.400 23.144 9.205 664 HD2 PHE 105 HD2 PHE 105 7.696 24.431 13.199 665 HE1 PHE 105 HE1 PHE 105 8.122 25.454 8.407 666 HE2 PHE 105 HE2 PHE 105 7.416 26.744 12.409 667 HZ PHE 105 HZ PHE 105 7.629 27.259 10.010 668 H GLU 106 HN GLU 106 4.831 22.417 10.800 669 HA GLU 106 HA GLU 106 5.335 21.222 8.172 670 1HB GLU 106 HB2 GLU 106 2.989 20.508 7.992 671 2HB GLU 106 HB1 GLU 106 3.821 19.684 9.304 672 1HG GLU 106 HG2 GLU 106 2.695 20.910 10.943 673 2HG GLU 106 HG1 GLU 106 2.172 22.136 9.791 674 H ASN 107 HN ASN 107 3.611 22.087 6.565 675 HA ASN 107 HA ASN 107 3.525 24.990 6.929 676 1HB ASN 107 HB2 ASN 107 4.584 23.909 4.880 677 2HB ASN 107 HB1 ASN 107 2.952 23.471 4.384 Start of MODEL 11 1 1H MET 1 HT1 MET 1 7.710 -4.766 -8.857 2 2H MET 1 HT2 MET 1 6.364 -3.979 -9.574 3 3H MET 1 HT3 MET 1 6.720 -5.610 -9.973 4 HA MET 1 HA MET 1 6.172 -6.350 -7.846 5 1HB MET 1 HB2 MET 1 5.861 -3.410 -7.203 6 2HB MET 1 HB1 MET 1 5.442 -4.724 -6.114 7 1HG MET 1 HG2 MET 1 7.499 -4.414 -5.307 8 2HG MET 1 HG1 MET 1 8.006 -5.352 -6.710 9 1HE MET 1 HE1 MET 1 9.042 -3.055 -4.652 10 2HE MET 1 HE2 MET 1 9.786 -1.691 -5.486 11 3HE MET 1 HE3 MET 1 10.468 -3.308 -5.656 12 H THR 2 HN THR 2 4.472 -3.364 -8.812 13 HA THR 2 HA THR 2 2.334 -2.964 -9.460 14 HB THR 2 HB THR 2 1.343 -4.415 -10.999 15 HG1 THR 2 HG1 THR 2 2.774 -6.598 -9.907 16 H LEU 3 HN LEU 3 0.783 -2.603 -8.043 17 HA LEU 3 HA LEU 3 0.309 -4.323 -5.819 18 1HB LEU 3 HB2 LEU 3 0.057 -1.988 -5.481 19 2HB LEU 3 HB1 LEU 3 -1.054 -1.839 -6.829 20 HG LEU 3 HG LEU 3 -1.798 -3.514 -4.458 21 H ASN 4 HN ASN 4 -0.770 -6.165 -5.951 22 HA ASN 4 HA ASN 4 -2.743 -6.579 -8.037 23 1HB ASN 4 HB2 ASN 4 -1.897 -8.493 -5.865 24 2HB ASN 4 HB1 ASN 4 -2.739 -8.887 -7.358 25 H ILE 5 HN ILE 5 -4.856 -7.522 -7.539 26 HA ILE 5 HA ILE 5 -5.930 -6.603 -4.956 27 HB ILE 5 HB ILE 5 -8.088 -6.436 -6.679 28 H THR 6 HN THR 6 -8.229 -7.505 -4.648 29 HA THR 6 HA THR 6 -8.548 -10.207 -5.705 30 HB THR 6 HB THR 6 -8.689 -9.725 -2.732 31 HG1 THR 6 HG1 THR 6 -6.617 -10.178 -2.535 32 H SER 7 HN SER 7 -9.835 -7.866 -3.357 33 HA SER 7 HA SER 7 -11.957 -7.253 -2.813 34 1HB SER 7 HB2 SER 7 -13.342 -6.571 -4.685 35 2HB SER 7 HB1 SER 7 -11.663 -6.154 -5.008 36 HG SER 7 HG SER 7 -13.323 -7.883 -6.327 37 H LYS 8 HN LYS 8 -12.854 -8.819 -1.581 38 HA LYS 8 HA LYS 8 -13.675 -11.347 -2.441 39 1HB LYS 8 HB2 LYS 8 -14.668 -11.607 -0.330 40 2HB LYS 8 HB1 LYS 8 -13.342 -10.487 -0.054 41 1HG LYS 8 HG2 LYS 8 -15.223 -8.690 -0.482 42 2HG LYS 8 HG1 LYS 8 -16.272 -10.017 0.021 43 1HD LYS 8 HD2 LYS 8 -13.868 -9.415 1.670 44 2HD LYS 8 HD1 LYS 8 -15.251 -8.325 1.777 45 1HE LYS 8 HE2 LYS 8 -16.698 -10.152 2.398 46 2HE LYS 8 HE1 LYS 8 -15.392 -11.312 2.157 47 1HZ LYS 8 HZ1 LYS 8 -14.222 -9.789 3.920 48 2HZ LYS 8 HZ2 LYS 8 -15.278 -11.019 4.398 49 3HZ LYS 8 HZ3 LYS 8 -15.816 -9.417 4.349 50 H GLN 9 HN GLN 9 -15.324 -8.254 -2.589 51 HA GLN 9 HA GLN 9 -17.563 -9.617 -3.908 52 1HB GLN 9 HB2 GLN 9 -18.942 -7.598 -2.948 53 2HB GLN 9 HB1 GLN 9 -18.663 -9.040 -1.987 54 1HG GLN 9 HG2 GLN 9 -16.500 -7.449 -1.371 55 2HG GLN 9 HG1 GLN 9 -17.822 -6.297 -1.535 56 H MET 10 HN MET 10 -17.300 -6.138 -3.396 57 HA MET 10 HA MET 10 -17.939 -5.407 -5.961 58 1HB MET 10 HB2 MET 10 -16.823 -3.225 -5.453 59 2HB MET 10 HB1 MET 10 -17.978 -3.766 -4.247 60 1HG MET 10 HG2 MET 10 -16.434 -3.913 -2.648 61 2HG MET 10 HG1 MET 10 -15.235 -4.624 -3.726 62 1HE MET 10 HE1 MET 10 -13.927 -2.872 -1.700 63 2HE MET 10 HE2 MET 10 -15.484 -2.126 -1.346 64 3HE MET 10 HE3 MET 10 -14.117 -1.121 -1.827 65 H ASP 11 HN ASP 11 -16.965 -6.033 -7.780 66 HA ASP 11 HA ASP 11 -14.343 -6.904 -8.024 67 1HB ASP 11 HB2 ASP 11 -16.066 -5.641 -10.168 68 2HB ASP 11 HB1 ASP 11 -14.634 -6.626 -10.451 69 H ILE 12 HN ILE 12 -12.829 -5.726 -9.763 70 HA ILE 12 HA ILE 12 -12.318 -3.080 -8.603 71 HB ILE 12 HB ILE 12 -10.160 -3.846 -10.292 72 H THR 13 HN THR 13 -11.968 -1.284 -9.850 73 HA THR 13 HA THR 13 -12.349 -1.494 -12.737 74 HB THR 13 HB THR 13 -14.233 -0.206 -12.857 75 HG1 THR 13 HG1 THR 13 -13.575 0.963 -10.360 76 HA PRO 14 HA PRO 14 -9.542 1.829 -13.494 77 1HB PRO 14 HB2 PRO 14 -11.803 3.769 -13.743 78 2HB PRO 14 HB1 PRO 14 -10.398 3.546 -14.792 79 1HG PRO 14 HG2 PRO 14 -12.764 2.577 -15.506 80 2HG PRO 14 HG1 PRO 14 -11.284 1.644 -15.794 81 1HD PRO 14 HD2 PRO 14 -13.412 1.240 -13.757 82 2HD PRO 14 HD1 PRO 14 -12.385 0.042 -14.571 83 H ALA 15 HN ALA 15 -12.272 3.029 -11.529 84 HA ALA 15 HA ALA 15 -10.958 5.066 -10.190 85 1HB ALA 15 HB1 ALA 15 -13.192 3.270 -9.260 86 2HB ALA 15 HB2 ALA 15 -13.324 4.871 -9.989 87 3HB ALA 15 HB3 ALA 15 -12.647 4.691 -8.370 88 H ILE 16 HN ILE 16 -11.806 2.149 -8.345 89 HA ILE 16 HA ILE 16 -9.847 2.434 -6.424 90 HB ILE 16 HB ILE 16 -9.993 -0.177 -6.304 91 H ARG 17 HN ARG 17 -9.697 0.266 -9.269 92 HA ARG 17 HA ARG 17 -7.211 -0.786 -9.077 93 1HB ARG 17 HB2 ARG 17 -8.845 -1.029 -11.000 94 2HB ARG 17 HB1 ARG 17 -8.194 0.470 -11.644 95 1HG ARG 17 HG2 ARG 17 -6.088 -0.485 -12.038 96 2HG ARG 17 HG1 ARG 17 -6.445 -1.889 -11.030 97 1HD ARG 17 HD2 ARG 17 -8.431 -1.767 -13.042 98 2HD ARG 17 HD1 ARG 17 -6.872 -1.527 -13.831 99 HE ARG 17 HE ARG 17 -6.948 -3.736 -11.979 100 1HH1 ARG 17 HH11 ARG 17 -7.455 -2.722 -15.281 101 2HH1 ARG 17 HH12 ARG 17 -7.232 -4.311 -15.933 102 1HH2 ARG 17 HH21 ARG 17 -6.658 -5.824 -12.835 103 2HH2 ARG 17 HH22 ARG 17 -6.781 -6.072 -14.545 104 H GLU 18 HN GLU 18 -7.894 2.360 -10.592 105 HA GLU 18 HA GLU 18 -5.212 3.153 -10.905 106 1HB GLU 18 HB2 GLU 18 -7.033 4.225 -12.131 107 2HB GLU 18 HB1 GLU 18 -7.724 4.829 -10.630 108 1HG GLU 18 HG2 GLU 18 -6.625 6.700 -11.196 109 2HG GLU 18 HG1 GLU 18 -5.251 5.876 -10.461 110 H HIS 19 HN HIS 19 -7.548 3.620 -8.297 111 HA HIS 19 HA HIS 19 -6.041 5.370 -6.698 112 1HB HIS 19 HB2 HIS 19 -8.523 4.612 -6.528 113 2HB HIS 19 HB1 HIS 19 -7.890 3.269 -5.590 114 HD1 HIS 19 HD1 HIS 19 -6.588 6.798 -5.267 115 HD2 HIS 19 HD2 HIS 19 -8.945 4.054 -3.253 116 HE1 HIS 19 HE1 HIS 19 -7.010 7.821 -3.005 117 HE2 HIS 19 HE2 HIS 19 -8.550 6.197 -1.847 118 H LEU 20 HN LEU 20 -6.642 1.922 -6.082 119 HA LEU 20 HA LEU 20 -4.693 1.413 -4.222 120 1HB LEU 20 HB2 LEU 20 -5.154 -0.608 -6.371 121 2HB LEU 20 HB1 LEU 20 -4.992 -0.835 -4.638 122 HG LEU 20 HG LEU 20 -7.410 0.351 -5.999 123 H GLU 21 HN GLU 21 -4.350 1.062 -7.755 124 HA GLU 21 HA GLU 21 -1.655 0.367 -7.825 125 1HB GLU 21 HB2 GLU 21 -3.341 1.913 -9.797 126 2HB GLU 21 HB1 GLU 21 -1.694 1.402 -10.138 127 1HG GLU 21 HG2 GLU 21 -2.286 -0.881 -10.049 128 2HG GLU 21 HG1 GLU 21 -3.863 -0.520 -9.354 129 H GLU 22 HN GLU 22 -3.072 3.610 -8.286 130 HA GLU 22 HA GLU 22 -0.713 5.064 -8.356 131 1HB GLU 22 HB2 GLU 22 -3.489 5.765 -7.430 132 2HB GLU 22 HB1 GLU 22 -2.185 6.944 -7.369 133 1HG GLU 22 HG2 GLU 22 -3.008 5.493 -9.871 134 2HG GLU 22 HG1 GLU 22 -3.638 7.070 -9.394 135 H ARG 23 HN ARG 23 -2.572 3.908 -5.594 136 HA ARG 23 HA ARG 23 -1.185 5.300 -3.587 137 1HB ARG 23 HB2 ARG 23 -2.838 2.803 -3.624 138 2HB ARG 23 HB1 ARG 23 -1.931 3.222 -2.177 139 1HG ARG 23 HG2 ARG 23 -4.080 4.847 -3.516 140 2HG ARG 23 HG1 ARG 23 -4.144 4.060 -1.941 141 1HD ARG 23 HD2 ARG 23 -2.144 5.543 -1.333 142 2HD ARG 23 HD1 ARG 23 -2.571 6.476 -2.764 143 HE ARG 23 HE ARG 23 -4.070 6.295 -0.278 144 1HH1 ARG 23 HH11 ARG 23 -3.980 7.397 -3.593 145 2HH1 ARG 23 HH12 ARG 23 -5.231 8.571 -3.365 146 1HH2 ARG 23 HH21 ARG 23 -5.720 7.832 0.015 147 2HH2 ARG 23 HH22 ARG 23 -6.222 8.816 -1.320 148 H LEU 24 HN LEU 24 -0.680 2.054 -4.966 149 HA LEU 24 HA LEU 24 1.572 1.427 -3.379 150 1HB LEU 24 HB2 LEU 24 0.133 -0.115 -4.879 151 2HB LEU 24 HB1 LEU 24 1.172 0.414 -6.183 152 HG LEU 24 HG LEU 24 1.969 -1.700 -5.401 153 H ALA 25 HN ALA 25 1.293 2.676 -6.698 154 HA ALA 25 HA ALA 25 4.000 3.011 -7.246 155 1HB ALA 25 HB1 ALA 25 1.797 4.850 -8.172 156 2HB ALA 25 HB2 ALA 25 2.123 3.268 -8.878 157 3HB ALA 25 HB3 ALA 25 3.340 4.541 -8.968 158 H LYS 26 HN LYS 26 1.807 4.890 -5.305 159 HA LYS 26 HA LYS 26 3.556 7.155 -5.031 160 1HB LYS 26 HB2 LYS 26 1.015 7.185 -4.816 161 2HB LYS 26 HB1 LYS 26 1.236 6.438 -3.240 162 1HG LYS 26 HG2 LYS 26 1.515 8.439 -2.345 163 2HG LYS 26 HG1 LYS 26 2.953 8.675 -3.341 164 1HD LYS 26 HD2 LYS 26 1.374 9.404 -5.191 165 2HD LYS 26 HD1 LYS 26 0.112 9.453 -3.958 166 1HE LYS 26 HE2 LYS 26 0.870 11.640 -3.984 167 2HE LYS 26 HE1 LYS 26 1.787 10.935 -2.653 168 1HZ LYS 26 HZ1 LYS 26 2.715 11.628 -5.368 169 2HZ LYS 26 HZ2 LYS 26 3.556 10.501 -4.429 170 3HZ LYS 26 HZ3 LYS 26 3.366 12.087 -3.874 171 H LEU 27 HN LEU 27 2.769 4.251 -3.196 172 HA LEU 27 HA LEU 27 4.354 4.964 -0.929 173 1HB LEU 27 HB2 LEU 27 2.665 2.731 -1.720 174 2HB LEU 27 HB1 LEU 27 4.119 2.188 -0.905 175 HG LEU 27 HG LEU 27 1.983 4.022 0.171 176 H GLY 28 HN GLY 28 5.130 3.964 -4.044 177 1HA GLY 28 HA2 GLY 28 7.341 2.275 -3.602 178 2HA GLY 28 HA1 GLY 28 7.085 3.268 -5.028 179 H LYS 29 HN LYS 29 7.013 5.759 -3.524 180 HA LYS 29 HA LYS 29 9.714 6.480 -3.651 181 1HB LYS 29 HB2 LYS 29 8.004 8.153 -3.862 182 2HB LYS 29 HB1 LYS 29 7.366 7.782 -2.269 183 1HG LYS 29 HG2 LYS 29 9.591 8.546 -1.343 184 2HG LYS 29 HG1 LYS 29 9.935 9.169 -2.956 185 1HD LYS 29 HD2 LYS 29 8.770 11.006 -2.501 186 2HD LYS 29 HD1 LYS 29 7.329 10.030 -2.213 187 1HE LYS 29 HE2 LYS 29 7.493 10.983 -0.161 188 2HE LYS 29 HE1 LYS 29 8.571 9.613 0.108 189 1HZ LYS 29 HZ1 LYS 29 9.319 12.413 -0.512 190 2HZ LYS 29 HZ2 LYS 29 10.421 11.133 -0.593 191 3HZ LYS 29 HZ3 LYS 29 9.687 11.524 0.880 192 H TRP 30 HN TRP 30 7.954 4.900 -1.182 193 HA TRP 30 HA TRP 30 9.603 5.666 1.005 194 1HB TRP 30 HB2 TRP 30 7.516 3.519 0.665 195 2HB TRP 30 HB1 TRP 30 8.374 3.817 2.173 196 HD1 TRP 30 HD1 TRP 30 5.946 5.630 -0.230 197 HE1 TRP 30 HE1 TRP 30 4.622 7.360 1.146 198 HE3 TRP 30 HE3 TRP 30 8.340 5.092 4.222 199 HZ2 TRP 30 HZ2 TRP 30 4.618 8.366 3.803 200 HZ3 TRP 30 HZ3 TRP 30 7.642 6.478 6.122 201 HH2 TRP 30 HH2 TRP 30 5.817 8.081 5.919 202 H GLN 31 HN GLN 31 11.621 5.006 1.140 203 HA GLN 31 HA GLN 31 13.025 3.188 -0.254 204 1HB GLN 31 HB2 GLN 31 14.361 2.890 2.021 205 2HB GLN 31 HB1 GLN 31 14.413 4.380 1.095 206 1HG GLN 31 HG2 GLN 31 12.262 4.195 3.101 207 2HG GLN 31 HG1 GLN 31 13.907 4.265 3.733 208 H THR 32 HN THR 32 11.257 1.518 -0.512 209 HA THR 32 HA THR 32 11.916 -0.768 1.120 210 HB THR 32 HB THR 32 9.207 0.531 1.063 211 HG1 THR 32 HG1 THR 32 10.838 -0.652 3.050 212 H GLN 33 HN GLN 33 10.925 -2.755 0.199 213 HA GLN 33 HA GLN 33 10.402 -2.522 -2.681 214 1HB GLN 33 HB2 GLN 33 11.481 -4.901 -2.715 215 2HB GLN 33 HB1 GLN 33 12.506 -3.475 -2.765 216 1HG GLN 33 HG2 GLN 33 11.847 -4.668 -0.131 217 2HG GLN 33 HG1 GLN 33 13.029 -5.478 -1.154 218 H LEU 34 HN LEU 34 8.255 -2.643 -2.395 219 HA LEU 34 HA LEU 34 6.817 -4.141 -0.662 220 1HB LEU 34 HB2 LEU 34 5.931 -3.689 -3.499 221 2HB LEU 34 HB1 LEU 34 4.928 -3.839 -2.073 222 HG LEU 34 HG LEU 34 4.837 -1.586 -2.261 223 H ILE 35 HN ILE 35 7.425 -6.168 -0.253 224 HA ILE 35 HA ILE 35 7.993 -8.136 -2.211 225 HB ILE 35 HB ILE 35 7.319 -8.315 0.727 226 H SER 36 HN SER 36 6.285 -8.188 -3.673 227 HA SER 36 HA SER 36 4.251 -8.748 -4.539 228 1HB SER 36 HB2 SER 36 4.701 -10.992 -3.967 229 2HB SER 36 HB1 SER 36 4.556 -10.677 -2.239 230 HG SER 36 HG SER 36 2.358 -10.557 -2.449 231 HA PRO 37 HA PRO 37 1.810 -6.091 -1.791 232 1HB PRO 37 HB2 PRO 37 1.293 -4.184 -3.561 233 2HB PRO 37 HB1 PRO 37 2.904 -4.343 -2.848 234 1HG PRO 37 HG2 PRO 37 1.940 -5.203 -5.545 235 2HG PRO 37 HG1 PRO 37 3.479 -4.461 -5.093 236 1HD PRO 37 HD2 PRO 37 3.037 -7.168 -5.497 237 2HD PRO 37 HD1 PRO 37 4.412 -6.459 -4.631 238 H HIS 38 HN HIS 38 -0.289 -6.300 -1.419 239 HA HIS 38 HA HIS 38 -2.123 -6.825 -3.655 240 1HB HIS 38 HB2 HIS 38 -1.593 -8.509 -1.339 241 2HB HIS 38 HB1 HIS 38 -3.288 -8.110 -1.504 242 HD1 HIS 38 HD1 HIS 38 -1.007 -10.612 -2.451 243 HD2 HIS 38 HD2 HIS 38 -4.108 -8.650 -4.393 244 HE1 HIS 38 HE1 HIS 38 -1.691 -12.132 -4.333 245 HE2 HIS 38 HE2 HIS 38 -3.496 -10.876 -5.560 246 H PHE 39 HN PHE 39 -4.416 -6.548 -2.917 247 HA PHE 39 HA PHE 39 -4.833 -4.734 -0.728 248 1HB PHE 39 HB2 PHE 39 -4.535 -3.710 -3.396 249 2HB PHE 39 HB1 PHE 39 -6.163 -3.419 -2.800 250 HD1 PHE 39 HD1 PHE 39 -2.592 -2.911 -1.979 251 HD2 PHE 39 HD2 PHE 39 -6.620 -1.734 -1.268 252 HE1 PHE 39 HE1 PHE 39 -1.797 -0.991 -0.659 253 HE2 PHE 39 HE2 PHE 39 -5.832 0.186 0.049 254 HZ PHE 39 HZ PHE 39 -3.419 0.561 0.356 255 H VAL 40 HN VAL 40 -6.302 -6.019 0.216 256 HA VAL 40 HA VAL 40 -8.451 -7.182 -1.335 257 HB VAL 40 HB VAL 40 -7.936 -7.336 1.637 258 H LEU 41 HN LEU 41 -9.650 -5.397 -1.952 259 HA LEU 41 HA LEU 41 -10.705 -3.612 0.094 260 1HB LEU 41 HB2 LEU 41 -11.588 -2.330 -1.785 261 2HB LEU 41 HB1 LEU 41 -9.872 -2.632 -1.970 262 HG LEU 41 HG LEU 41 -11.662 -4.586 -3.277 263 H ASN 42 HN ASN 42 -12.863 -3.429 0.631 264 HA ASN 42 HA ASN 42 -14.814 -5.065 -0.749 265 1HB ASN 42 HB2 ASN 42 -14.557 -5.436 2.222 266 2HB ASN 42 HB1 ASN 42 -15.495 -6.387 1.078 267 H LYS 43 HN LYS 43 -17.000 -4.799 0.211 268 HA LYS 43 HA LYS 43 -17.385 -2.130 1.412 269 1HB LYS 43 HB2 LYS 43 -18.140 -1.555 -0.664 270 2HB LYS 43 HB1 LYS 43 -18.419 -3.221 -1.146 271 1HG LYS 43 HG2 LYS 43 -20.503 -3.243 0.169 272 2HG LYS 43 HG1 LYS 43 -20.230 -1.562 0.617 273 1HD LYS 43 HD2 LYS 43 -20.065 -1.248 -2.004 274 2HD LYS 43 HD1 LYS 43 -21.033 -2.725 -2.006 275 1HE LYS 43 HE2 LYS 43 -21.794 -0.377 -0.305 276 2HE LYS 43 HE1 LYS 43 -22.242 -0.444 -2.009 277 1HZ LYS 43 HZ1 LYS 43 -24.039 -1.483 -1.177 278 2HZ LYS 43 HZ2 LYS 43 -23.256 -1.982 0.236 279 3HZ LYS 43 HZ3 LYS 43 -23.037 -2.846 -1.202 280 H VAL 44 HN VAL 44 -19.661 -1.920 2.260 281 HA VAL 44 HA VAL 44 -21.137 -4.289 2.802 282 HB VAL 44 HB VAL 44 -20.954 -3.852 5.331 283 HA PRO 45 HA PRO 45 -24.562 -1.590 3.258 284 1HB PRO 45 HB2 PRO 45 -25.629 -2.446 5.701 285 2HB PRO 45 HB1 PRO 45 -26.008 -3.113 4.110 286 1HG PRO 45 HG2 PRO 45 -24.105 -4.107 6.180 287 2HG PRO 45 HG1 PRO 45 -25.143 -5.023 5.070 288 1HD PRO 45 HD2 PRO 45 -22.513 -4.794 4.640 289 2HD PRO 45 HD1 PRO 45 -23.668 -4.774 3.291 290 H ASN 46 HN ASN 46 -22.704 -2.054 6.235 291 HA ASN 46 HA ASN 46 -23.483 0.505 7.299 292 1HB ASN 46 HB2 ASN 46 -22.623 -1.807 8.446 293 2HB ASN 46 HB1 ASN 46 -21.150 -0.846 8.488 294 H GLY 47 HN GLY 47 -21.395 -0.253 4.862 295 1HA GLY 47 HA2 GLY 47 -20.295 2.099 4.317 296 2HA GLY 47 HA1 GLY 47 -19.293 1.588 5.656 297 H PHE 48 HN PHE 48 -17.477 1.453 4.516 298 HA PHE 48 HA PHE 48 -17.287 -0.722 2.553 299 1HB PHE 48 HB2 PHE 48 -16.038 1.992 2.547 300 2HB PHE 48 HB1 PHE 48 -15.278 0.678 1.705 301 HD1 PHE 48 HD1 PHE 48 -16.248 -0.248 -0.283 302 HD2 PHE 48 HD2 PHE 48 -18.095 2.982 1.762 303 HE1 PHE 48 HE1 PHE 48 -17.629 0.199 -2.265 304 HE2 PHE 48 HE2 PHE 48 -19.485 3.445 -0.215 305 HZ PHE 48 HZ PHE 48 -19.246 2.045 -2.235 306 H SER 49 HN SER 49 -15.742 -2.223 2.978 307 HA SER 49 HA SER 49 -13.852 -1.605 5.140 308 1HB SER 49 HB2 SER 49 -13.986 -4.410 4.797 309 2HB SER 49 HB1 SER 49 -14.510 -3.458 6.178 310 HG SER 49 HG SER 49 -16.067 -4.082 3.887 311 H VAL 50 HN VAL 50 -11.844 -1.533 4.585 312 HA VAL 50 HA VAL 50 -10.980 -2.924 2.132 313 HB VAL 50 HB VAL 50 -9.461 -0.508 2.904 314 H GLU 51 HN GLU 51 -8.843 -3.716 2.103 315 HA GLU 51 HA GLU 51 -7.235 -3.532 4.508 316 1HB GLU 51 HB2 GLU 51 -8.648 -5.387 5.097 317 2HB GLU 51 HB1 GLU 51 -8.395 -6.132 3.533 318 1HG GLU 51 HG2 GLU 51 -5.893 -6.159 4.253 319 2HG GLU 51 HG1 GLU 51 -6.567 -5.993 5.875 320 H ALA 52 HN ALA 52 -5.239 -3.222 3.886 321 HA ALA 52 HA ALA 52 -4.427 -4.053 1.197 322 1HB ALA 52 HB1 ALA 52 -4.173 -1.665 1.908 323 2HB ALA 52 HB2 ALA 52 -2.689 -2.427 1.335 324 3HB ALA 52 HB3 ALA 52 -2.954 -2.205 3.063 325 H SER 53 HN SER 53 -2.727 -5.401 0.810 326 HA SER 53 HA SER 53 -1.293 -6.468 3.139 327 1HB SER 53 HB2 SER 53 -1.398 -8.703 1.733 328 2HB SER 53 HB1 SER 53 -2.700 -8.258 2.836 329 HG SER 53 HG SER 53 -2.988 -8.815 0.349 330 H ILE 54 HN ILE 54 0.612 -5.527 2.736 331 HA ILE 54 HA ILE 54 1.980 -6.249 0.229 332 HB ILE 54 HB ILE 54 2.884 -3.839 1.736 333 H GLY 55 HN GLY 55 4.534 -5.869 0.718 334 1HA GLY 55 HA2 GLY 55 5.166 -6.805 3.400 335 2HA GLY 55 HA1 GLY 55 5.587 -7.857 2.075 336 H THR 56 HN THR 56 7.322 -6.661 3.973 337 HA THR 56 HA THR 56 9.112 -5.293 2.120 338 HB THR 56 HB THR 56 9.506 -3.450 3.376 339 HG1 THR 56 HG1 THR 56 8.660 -4.463 5.832 340 HA PRO 57 HA PRO 57 12.052 -8.298 3.587 341 1HB PRO 57 HB2 PRO 57 13.993 -6.051 3.425 342 2HB PRO 57 HB1 PRO 57 14.086 -7.670 2.727 343 1HG PRO 57 HG2 PRO 57 13.531 -5.509 1.236 344 2HG PRO 57 HG1 PRO 57 12.830 -7.096 0.888 345 1HD PRO 57 HD2 PRO 57 11.570 -4.680 2.050 346 2HD PRO 57 HD1 PRO 57 10.853 -5.999 1.102 347 H LEU 58 HN LEU 58 11.520 -5.158 5.007 348 HA LEU 58 HA LEU 58 13.040 -5.814 7.402 349 1HB LEU 58 HB2 LEU 58 11.337 -3.389 7.300 350 2HB LEU 58 HB1 LEU 58 12.951 -3.599 7.951 351 HG LEU 58 HG LEU 58 12.246 -3.326 5.026 352 H GLY 59 HN GLY 59 9.812 -5.849 6.230 353 1HA GLY 59 HA2 GLY 59 8.728 -7.472 8.141 354 2HA GLY 59 HA1 GLY 59 8.468 -5.853 8.752 355 H ASN 60 HN ASN 60 6.820 -8.158 7.384 356 HA ASN 60 HA ASN 60 5.758 -7.344 5.002 357 1HB ASN 60 HB2 ASN 60 4.634 -9.229 5.417 358 2HB ASN 60 HB1 ASN 60 4.961 -9.111 7.138 359 H LEU 61 HN LEU 61 3.376 -6.526 4.731 360 HA LEU 61 HA LEU 61 2.815 -4.325 6.562 361 1HB LEU 61 HB2 LEU 61 3.346 -4.091 3.638 362 2HB LEU 61 HB1 LEU 61 2.204 -3.005 4.384 363 HG LEU 61 HG LEU 61 4.948 -3.225 5.545 364 H LEU 62 HN LEU 62 0.855 -4.702 7.226 365 HA LEU 62 HA LEU 62 -1.211 -5.357 5.259 366 1HB LEU 62 HB2 LEU 62 -1.084 -6.474 8.053 367 2HB LEU 62 HB1 LEU 62 -2.363 -6.751 6.895 368 HG LEU 62 HG LEU 62 0.491 -7.671 6.568 369 H ALA 63 HN ALA 63 -3.300 -4.618 5.808 370 HA ALA 63 HA ALA 63 -3.720 -2.895 8.056 371 1HB ALA 63 HB1 ALA 63 -3.146 -1.736 5.368 372 2HB ALA 63 HB2 ALA 63 -2.639 -1.182 6.962 373 3HB ALA 63 HB3 ALA 63 -4.303 -0.935 6.430 374 H SER 64 HN SER 64 -5.902 -2.077 8.159 375 HA SER 64 HA SER 64 -7.828 -2.844 6.190 376 1HB SER 64 HB2 SER 64 -9.021 -4.241 8.177 377 2HB SER 64 HB1 SER 64 -8.014 -4.985 6.935 378 HG SER 64 HG SER 64 -7.028 -4.059 9.428 379 H ALA 65 HN ALA 65 -9.839 -1.866 6.527 380 HA ALA 65 HA ALA 65 -10.495 -0.623 9.027 381 1HB ALA 65 HB1 ALA 65 -10.004 1.296 6.773 382 2HB ALA 65 HB2 ALA 65 -8.744 0.887 7.939 383 3HB ALA 65 HB3 ALA 65 -10.243 1.638 8.487 384 H THR 66 HN THR 66 -12.559 0.418 9.017 385 HA THR 66 HA THR 66 -14.225 -0.149 6.661 386 HB THR 66 HB THR 66 -14.989 -0.642 9.547 387 HG1 THR 66 HG1 THR 66 -14.138 -2.508 9.195 388 H SER 67 HN SER 67 -15.568 1.508 6.069 389 HA SER 67 HA SER 67 -16.548 3.430 7.926 390 1HB SER 67 HB2 SER 67 -13.966 3.928 6.816 391 2HB SER 67 HB1 SER 67 -15.095 5.082 6.122 392 HG SER 67 HG SER 67 -15.783 5.401 8.403 393 H ASP 68 HN ASP 68 -17.808 5.143 6.856 394 HA ASP 68 HA ASP 68 -19.216 4.064 4.591 395 1HB ASP 68 HB2 ASP 68 -20.609 6.155 4.872 396 2HB ASP 68 HB1 ASP 68 -20.564 5.087 6.269 397 H ASP 69 HN ASP 69 -16.363 5.585 4.714 398 HA ASP 69 HA ASP 69 -16.876 7.087 2.234 399 1HB ASP 69 HB2 ASP 69 -15.152 7.723 4.597 400 2HB ASP 69 HB1 ASP 69 -14.677 8.308 3.003 401 H MET 70 HN MET 70 -16.344 5.624 0.750 402 HA MET 70 HA MET 70 -14.628 3.585 0.654 403 1HB MET 70 HB2 MET 70 -15.847 5.357 -1.258 404 2HB MET 70 HB1 MET 70 -14.274 4.830 -1.833 405 1HG MET 70 HG2 MET 70 -15.597 2.562 -0.791 406 2HG MET 70 HG1 MET 70 -16.748 3.424 -1.809 407 1HE MET 70 HE1 MET 70 -12.580 2.340 -2.660 408 2HE MET 70 HE2 MET 70 -13.416 0.783 -2.654 409 3HE MET 70 HE3 MET 70 -13.547 1.856 -1.258 410 H TYR 71 HN TYR 71 -13.557 6.669 -0.767 411 HA TYR 71 HA TYR 71 -10.860 5.892 -0.801 412 1HB TYR 71 HB2 TYR 71 -12.344 8.374 -1.404 413 2HB TYR 71 HB1 TYR 71 -10.623 8.546 -1.053 414 HD1 TYR 71 HD1 TYR 71 -10.262 9.282 -3.418 415 HD2 TYR 71 HD2 TYR 71 -11.776 5.419 -2.470 416 HE1 TYR 71 HE1 TYR 71 -9.714 8.506 -5.688 417 HE2 TYR 71 HE2 TYR 71 -11.224 4.629 -4.713 418 HH TYR 71 HH TYR 71 -10.892 6.224 -7.188 419 H LYS 72 HN LYS 72 -12.760 7.284 1.720 420 HA LYS 72 HA LYS 72 -10.530 8.300 3.213 421 1HB LYS 72 HB2 LYS 72 -12.891 9.060 3.500 422 2HB LYS 72 HB1 LYS 72 -13.196 7.514 4.255 423 1HG LYS 72 HG2 LYS 72 -11.266 8.152 5.837 424 2HG LYS 72 HG1 LYS 72 -11.562 9.791 5.253 425 1HD LYS 72 HD2 LYS 72 -13.070 9.892 6.914 426 2HD LYS 72 HD1 LYS 72 -14.089 8.942 5.831 427 1HE LYS 72 HE2 LYS 72 -13.426 6.901 6.887 428 2HE LYS 72 HE1 LYS 72 -12.195 7.733 7.838 429 1HZ LYS 72 HZ1 LYS 72 -14.313 9.075 8.622 430 2HZ LYS 72 HZ2 LYS 72 -13.839 7.635 9.371 431 3HZ LYS 72 HZ3 LYS 72 -15.085 7.622 8.228 432 H ALA 73 HN ALA 73 -12.441 5.339 3.086 433 HA ALA 73 HA ALA 73 -11.269 4.013 5.288 434 1HB ALA 73 HB1 ALA 73 -12.308 2.062 4.499 435 2HB ALA 73 HB2 ALA 73 -12.221 2.587 2.817 436 3HB ALA 73 HB3 ALA 73 -13.365 3.351 3.922 437 H ILE 74 HN ILE 74 -10.603 4.134 1.837 438 HA ILE 74 HA ILE 74 -8.258 2.534 1.847 439 HB ILE 74 HB ILE 74 -9.455 4.562 -0.017 440 H ASN 75 HN ASN 75 -9.047 5.884 2.338 441 HA ASN 75 HA ASN 75 -6.531 7.065 2.481 442 1HB ASN 75 HB2 ASN 75 -9.055 7.926 2.564 443 2HB ASN 75 HB1 ASN 75 -8.749 7.968 4.290 444 H GLU 76 HN GLU 76 -8.481 5.317 4.803 445 HA GLU 76 HA GLU 76 -6.783 5.769 7.056 446 1HB GLU 76 HB2 GLU 76 -9.333 4.670 6.597 447 2HB GLU 76 HB1 GLU 76 -8.369 3.363 7.274 448 1HG GLU 76 HG2 GLU 76 -7.816 4.721 9.196 449 2HG GLU 76 HG1 GLU 76 -8.683 6.092 8.505 450 H VAL 77 HN VAL 77 -7.433 2.858 5.074 451 HA VAL 77 HA VAL 77 -5.559 1.142 6.114 452 HB VAL 77 HB VAL 77 -5.966 1.324 3.142 453 H GLU 78 HN GLU 78 -5.093 3.408 3.413 454 HA GLU 78 HA GLU 78 -2.402 2.892 2.977 455 1HB GLU 78 HB2 GLU 78 -4.226 4.529 1.820 456 2HB GLU 78 HB1 GLU 78 -3.247 5.710 2.677 457 1HG GLU 78 HG2 GLU 78 -1.535 3.860 1.337 458 2HG GLU 78 HG1 GLU 78 -2.730 4.486 0.201 459 H GLU 79 HN GLU 79 -3.997 4.848 5.381 460 HA GLU 79 HA GLU 79 -1.676 6.215 6.297 461 1HB GLU 79 HB2 GLU 79 -4.470 6.139 6.946 462 2HB GLU 79 HB1 GLU 79 -3.540 5.953 8.426 463 1HG GLU 79 HG2 GLU 79 -3.414 8.168 8.448 464 2HG GLU 79 HG1 GLU 79 -2.240 8.002 7.144 465 H LYS 80 HN LYS 80 -3.347 3.238 7.232 466 HA LYS 80 HA LYS 80 -1.640 2.677 9.447 467 1HB LYS 80 HB2 LYS 80 -3.959 1.536 8.302 468 2HB LYS 80 HB1 LYS 80 -2.737 0.276 8.289 469 1HG LYS 80 HG2 LYS 80 -2.534 0.273 10.601 470 2HG LYS 80 HG1 LYS 80 -3.257 1.875 10.763 471 1HD LYS 80 HD2 LYS 80 -5.025 -0.082 9.504 472 2HD LYS 80 HD1 LYS 80 -4.554 -0.514 11.150 473 1HE LYS 80 HE2 LYS 80 -5.341 2.297 10.730 474 2HE LYS 80 HE1 LYS 80 -6.627 1.105 10.549 475 1HZ LYS 80 HZ1 LYS 80 -5.771 0.214 12.776 476 2HZ LYS 80 HZ2 LYS 80 -6.681 1.639 12.788 477 3HZ LYS 80 HZ3 LYS 80 -4.997 1.710 12.932 478 H LEU 81 HN LEU 81 -1.747 1.628 6.071 479 HA LEU 81 HA LEU 81 0.461 -0.115 6.177 480 1HB LEU 81 HB2 LEU 81 -1.375 0.735 4.238 481 2HB LEU 81 HB1 LEU 81 0.189 1.201 3.603 482 HG LEU 81 HG LEU 81 -0.771 -1.091 2.951 483 H GLU 82 HN GLU 82 0.221 3.350 5.364 484 HA GLU 82 HA GLU 82 2.989 3.660 4.796 485 1HB GLU 82 HB2 GLU 82 1.096 5.216 4.132 486 2HB GLU 82 HB1 GLU 82 1.131 5.820 5.781 487 1HG GLU 82 HG2 GLU 82 2.934 7.070 5.407 488 2HG GLU 82 HG1 GLU 82 3.752 5.784 4.516 489 H ARG 83 HN ARG 83 1.018 4.492 7.638 490 HA ARG 83 HA ARG 83 3.003 5.423 9.320 491 1HB ARG 83 HB2 ARG 83 0.448 3.930 9.826 492 2HB ARG 83 HB1 ARG 83 1.527 4.296 11.165 493 1HG ARG 83 HG2 ARG 83 1.283 6.623 10.852 494 2HG ARG 83 HG1 ARG 83 0.504 6.403 9.285 495 1HD ARG 83 HD2 ARG 83 -1.218 6.930 10.820 496 2HD ARG 83 HD1 ARG 83 -1.345 5.200 10.505 497 HE ARG 83 HE ARG 83 -0.820 4.791 12.697 498 1HH1 ARG 83 HH11 ARG 83 -0.085 8.120 11.953 499 2HH1 ARG 83 HH12 ARG 83 0.224 8.551 13.603 500 1HH2 ARG 83 HH21 ARG 83 -0.415 5.355 14.866 501 2HH2 ARG 83 HH22 ARG 83 0.037 6.981 15.256 502 H GLN 84 HN GLN 84 1.905 2.076 8.850 503 HA GLN 84 HA GLN 84 3.728 0.853 10.597 504 1HB GLN 84 HB2 GLN 84 2.286 -0.126 8.139 505 2HB GLN 84 HB1 GLN 84 3.380 -1.165 9.044 506 1HG GLN 84 HG2 GLN 84 2.023 -0.945 11.014 507 2HG GLN 84 HG1 GLN 84 0.967 0.203 10.195 508 H LEU 85 HN LEU 85 3.917 1.636 7.139 509 HA LEU 85 HA LEU 85 6.384 0.541 6.498 510 1HB LEU 85 HB2 LEU 85 4.650 2.613 5.447 511 2HB LEU 85 HB1 LEU 85 6.333 3.057 5.252 512 HG LEU 85 HG LEU 85 5.583 0.319 4.400 513 H ASN 86 HN ASN 86 5.696 3.833 7.651 514 HA ASN 86 HA ASN 86 8.312 4.696 8.011 515 1HB ASN 86 HB2 ASN 86 5.977 5.931 8.278 516 2HB ASN 86 HB1 ASN 86 6.207 5.519 9.977 517 H LYS 87 HN LYS 87 6.222 2.766 10.073 518 HA LYS 87 HA LYS 87 7.840 2.741 12.382 519 1HB LYS 87 HB2 LYS 87 5.474 1.437 11.484 520 2HB LYS 87 HB1 LYS 87 6.598 0.181 11.995 521 1HG LYS 87 HG2 LYS 87 6.771 1.137 14.181 522 2HG LYS 87 HG1 LYS 87 5.841 2.554 13.689 523 1HD LYS 87 HD2 LYS 87 3.865 1.209 13.377 524 2HD LYS 87 HD1 LYS 87 4.778 -0.269 13.690 525 1HE LYS 87 HE2 LYS 87 5.314 0.760 15.968 526 2HE LYS 87 HE1 LYS 87 4.031 1.915 15.612 527 1HZ LYS 87 HZ1 LYS 87 3.346 -0.084 16.923 528 2HZ LYS 87 HZ2 LYS 87 3.625 -1.020 15.542 529 3HZ LYS 87 HZ3 LYS 87 2.442 0.188 15.519 530 H LEU 88 HN LEU 88 7.736 0.676 9.502 531 HA LEU 88 HA LEU 88 9.711 -1.141 10.305 532 1HB LEU 88 HB2 LEU 88 9.315 -0.274 7.450 533 2HB LEU 88 HB1 LEU 88 9.841 -1.838 8.041 534 HG LEU 88 HG LEU 88 7.061 -0.686 8.116 535 H GLN 89 HN GLN 89 9.961 1.661 8.135 536 HA GLN 89 HA GLN 89 12.751 1.657 7.897 537 1HB GLN 89 HB2 GLN 89 10.601 3.664 7.449 538 2HB GLN 89 HB1 GLN 89 12.246 4.269 7.575 539 1HG GLN 89 HG2 GLN 89 11.990 3.945 5.310 540 2HG GLN 89 HG1 GLN 89 12.805 2.470 5.819 541 H HIS 90 HN HIS 90 10.679 2.718 10.452 542 HA HIS 90 HA HIS 90 12.628 4.373 11.774 543 1HB HIS 90 HB2 HIS 90 9.916 3.301 12.501 544 2HB HIS 90 HB1 HIS 90 10.913 4.101 13.698 545 HD1 HIS 90 HD1 HIS 90 11.995 6.224 11.473 546 HD2 HIS 90 HD2 HIS 90 8.065 5.424 12.554 547 HE1 HIS 90 HE1 HIS 90 10.696 8.285 10.854 548 HE2 HIS 90 HE2 HIS 90 8.337 7.813 11.602 549 H LYS 91 HN LYS 91 11.029 1.317 12.626 550 HA LYS 91 HA LYS 91 12.576 0.677 14.810 551 1HB LYS 91 HB2 LYS 91 10.597 -0.605 13.215 552 2HB LYS 91 HB1 LYS 91 11.907 -1.749 13.470 553 1HG LYS 91 HG2 LYS 91 11.480 -1.956 15.673 554 2HG LYS 91 HG1 LYS 91 11.005 -0.266 15.852 555 1HD LYS 91 HD2 LYS 91 8.857 -0.745 14.805 556 2HD LYS 91 HD1 LYS 91 9.334 -2.428 14.568 557 1HE LYS 91 HE2 LYS 91 9.379 -2.824 16.919 558 2HE LYS 91 HE1 LYS 91 9.196 -1.107 17.271 559 1HZ LYS 91 HZ1 LYS 91 7.015 -1.540 15.817 560 2HZ LYS 91 HZ2 LYS 91 7.051 -1.699 17.501 561 3HZ LYS 91 HZ3 LYS 91 7.191 -3.070 16.521 562 H SER 92 HN SER 92 13.299 0.358 11.426 563 HA SER 92 HA SER 92 15.246 -0.105 10.335 564 1HB SER 92 HB2 SER 92 16.679 -0.572 12.934 565 2HB SER 92 HB1 SER 92 17.300 0.104 11.428 566 HG SER 92 HG SER 92 16.909 1.962 12.313 567 H GLU 93 HN GLU 93 15.392 -2.112 13.285 568 HA GLU 93 HA GLU 93 15.961 -4.449 11.652 569 1HB GLU 93 HB2 GLU 93 17.197 -3.945 13.787 570 2HB GLU 93 HB1 GLU 93 15.708 -4.293 14.657 571 1HG GLU 93 HG2 GLU 93 15.744 -6.560 14.012 572 2HG GLU 93 HG1 GLU 93 16.997 -6.272 12.806 573 H SER 94 HN SER 94 13.559 -3.458 14.084 574 HA SER 94 HA SER 94 11.413 -4.109 14.460 575 1HB SER 94 HB2 SER 94 11.041 -3.452 12.137 576 2HB SER 94 HB1 SER 94 11.586 -5.034 11.581 577 HG SER 94 HG SER 94 9.179 -4.497 11.953 578 H ARG 95 HN ARG 95 11.548 -5.660 15.990 579 HA ARG 95 HA ARG 95 11.356 -8.426 15.084 580 1HB ARG 95 HB2 ARG 95 13.789 -7.613 15.827 581 2HB ARG 95 HB1 ARG 95 13.135 -7.959 17.423 582 1HG ARG 95 HG2 ARG 95 14.144 -9.950 16.844 583 2HG ARG 95 HG1 ARG 95 12.459 -10.232 16.398 584 1HD ARG 95 HD2 ARG 95 13.193 -9.346 14.072 585 2HD ARG 95 HD1 ARG 95 14.823 -9.711 14.638 586 HE ARG 95 HE ARG 95 13.472 -12.001 15.130 587 1HH1 ARG 95 HH11 ARG 95 13.833 -10.007 12.289 588 2HH1 ARG 95 HH12 ARG 95 13.673 -11.332 11.186 589 1HH2 ARG 95 HH21 ARG 95 13.260 -13.744 13.680 590 2HH2 ARG 95 HH22 ARG 95 13.347 -13.454 11.975 591 H ARG 96 HN ARG 96 9.854 -9.526 16.179 592 HA ARG 96 HA ARG 96 9.251 -8.981 18.934 593 1HB ARG 96 HB2 ARG 96 7.878 -7.465 17.037 594 2HB ARG 96 HB1 ARG 96 6.753 -8.745 17.469 595 1HG ARG 96 HG2 ARG 96 6.319 -7.826 19.444 596 2HG ARG 96 HG1 ARG 96 8.031 -7.594 19.801 597 1HD ARG 96 HD2 ARG 96 8.062 -5.472 18.956 598 2HD ARG 96 HD1 ARG 96 6.777 -5.800 17.794 599 HE ARG 96 HE ARG 96 5.499 -5.928 20.172 600 1HH1 ARG 96 HH11 ARG 96 7.594 -3.542 18.720 601 2HH1 ARG 96 HH12 ARG 96 6.845 -2.209 19.531 602 1HH2 ARG 96 HH21 ARG 96 4.511 -4.174 21.237 603 2HH2 ARG 96 HH22 ARG 96 5.094 -2.567 20.960 604 H ALA 97 HN ALA 97 10.092 -11.229 17.316 605 HA ALA 97 HA ALA 97 7.788 -12.994 17.183 606 1HB ALA 97 HB1 ALA 97 9.681 -14.663 16.541 607 2HB ALA 97 HB2 ALA 97 10.652 -13.202 16.362 608 3HB ALA 97 HB3 ALA 97 9.189 -13.412 15.400 609 H ASP 98 HN ASP 98 7.093 -14.033 18.921 610 HA ASP 98 HA ASP 98 7.029 -15.140 20.907 611 1HB ASP 98 HB2 ASP 98 9.909 -15.770 20.222 612 2HB ASP 98 HB1 ASP 98 8.971 -16.562 21.484 613 H GLU 99 HN GLU 99 8.490 -15.402 23.069 614 HA GLU 99 HA GLU 99 9.932 -12.967 23.687 615 1HB GLU 99 HB2 GLU 99 7.144 -13.235 24.293 616 2HB GLU 99 HB1 GLU 99 8.053 -13.204 25.797 617 1HG GLU 99 HG2 GLU 99 9.236 -11.152 24.704 618 2HG GLU 99 HG1 GLU 99 7.787 -11.108 23.699 619 H ARG 100 HN ARG 100 10.502 -15.825 23.610 620 HA ARG 100 HA ARG 100 11.120 -16.287 26.454 621 1HB ARG 100 HB2 ARG 100 9.610 -17.979 25.491 622 2HB ARG 100 HB1 ARG 100 10.803 -18.330 24.248 623 1HG ARG 100 HG2 ARG 100 11.250 -20.013 25.711 624 2HG ARG 100 HG1 ARG 100 12.348 -18.778 26.333 625 1HD ARG 100 HD2 ARG 100 11.348 -18.935 28.309 626 2HD ARG 100 HD1 ARG 100 9.860 -18.338 27.575 627 HE ARG 100 HE ARG 100 9.840 -20.982 26.983 628 1HH1 ARG 100 HH11 ARG 100 10.203 -19.189 29.954 629 2HH1 ARG 100 HH12 ARG 100 9.483 -20.422 30.933 630 1HH2 ARG 100 HH21 ARG 100 8.894 -22.607 28.269 631 2HH2 ARG 100 HH22 ARG 100 8.740 -22.363 29.977 632 H LEU 101 HN LEU 101 13.190 -16.875 27.033 633 HA LEU 101 HA LEU 101 15.264 -16.092 25.186 634 1HB LEU 101 HB2 LEU 101 15.031 -15.819 27.842 635 2HB LEU 101 HB1 LEU 101 15.942 -17.316 27.802 636 HG LEU 101 HG LEU 101 17.389 -15.787 26.075 637 H LYS 102 HN LYS 102 14.448 -19.045 27.000 638 HA LYS 102 HA LYS 102 15.487 -20.670 24.842 639 1HB LYS 102 HB2 LYS 102 16.993 -20.191 27.292 640 2HB LYS 102 HB1 LYS 102 16.684 -21.901 27.024 641 1HG LYS 102 HG2 LYS 102 17.628 -20.407 24.674 642 2HG LYS 102 HG1 LYS 102 18.782 -20.560 26.000 643 1HD LYS 102 HD2 LYS 102 18.394 -23.009 25.993 644 2HD LYS 102 HD1 LYS 102 17.345 -22.806 24.588 645 1HE LYS 102 HE2 LYS 102 20.009 -21.582 24.350 646 2HE LYS 102 HE1 LYS 102 20.002 -23.341 24.461 647 1HZ LYS 102 HZ1 LYS 102 18.866 -23.552 22.499 648 2HZ LYS 102 HZ2 LYS 102 19.784 -22.170 22.167 649 3HZ LYS 102 HZ3 LYS 102 18.155 -22.019 22.598 650 H ASP 103 HN ASP 103 15.480 -23.122 25.879 651 HA ASP 103 HA ASP 103 14.137 -24.852 26.487 652 1HB ASP 103 HB2 ASP 103 13.553 -22.758 28.505 653 2HB ASP 103 HB1 ASP 103 12.400 -24.084 28.397 654 H SER 104 HN SER 104 12.755 -25.516 24.985 655 HA SER 104 HA SER 104 10.313 -23.929 24.534 656 1HB SER 104 HB2 SER 104 12.157 -24.218 22.648 657 2HB SER 104 HB1 SER 104 11.340 -25.763 22.413 658 HG SER 104 HG SER 104 9.697 -24.756 21.569 659 H PHE 105 HN PHE 105 8.581 -25.386 23.417 660 HA PHE 105 HA PHE 105 8.440 -27.901 24.945 661 1HB PHE 105 HB2 PHE 105 6.109 -26.245 23.966 662 2HB PHE 105 HB1 PHE 105 6.045 -27.637 25.042 663 HD1 PHE 105 HD1 PHE 105 6.752 -27.448 27.364 664 HD2 PHE 105 HD2 PHE 105 6.759 -24.077 24.767 665 HE1 PHE 105 HE1 PHE 105 6.936 -25.954 29.310 666 HE2 PHE 105 HE2 PHE 105 6.944 -22.577 26.707 667 HZ PHE 105 HZ PHE 105 7.033 -23.515 28.983 668 H GLU 106 HN GLU 106 6.578 -29.331 23.850 669 HA GLU 106 HA GLU 106 7.564 -29.849 21.156 670 1HB GLU 106 HB2 GLU 106 5.780 -31.466 22.984 671 2HB GLU 106 HB1 GLU 106 6.283 -31.979 21.379 672 1HG GLU 106 HG2 GLU 106 7.919 -33.021 22.492 673 2HG GLU 106 HG1 GLU 106 8.679 -31.430 22.486 674 H ASN 107 HN ASN 107 4.368 -29.741 22.746 675 HA ASN 107 HA ASN 107 2.909 -29.602 20.333 676 1HB ASN 107 HB2 ASN 107 2.165 -30.153 22.807 677 2HB ASN 107 HB1 ASN 107 1.816 -28.427 22.856 Start of MODEL 12 1 1H MET 1 HT1 MET 1 4.527 -0.881 -7.391 2 2H MET 1 HT2 MET 1 3.008 -1.673 -7.496 3 3H MET 1 HT3 MET 1 3.804 -1.146 -8.923 4 HA MET 1 HA MET 1 5.439 -2.729 -8.748 5 1HB MET 1 HB2 MET 1 4.628 -2.638 -5.924 6 2HB MET 1 HB1 MET 1 5.014 -4.247 -6.506 7 1HG MET 1 HG2 MET 1 7.003 -3.385 -5.614 8 2HG MET 1 HG1 MET 1 7.180 -3.289 -7.365 9 1HE MET 1 HE1 MET 1 8.816 -1.585 -7.840 10 2HE MET 1 HE2 MET 1 9.323 -1.577 -6.151 11 3HE MET 1 HE3 MET 1 9.027 -0.054 -6.990 12 H THR 2 HN THR 2 2.701 -2.590 -9.705 13 HA THR 2 HA THR 2 1.228 -3.973 -10.771 14 HB THR 2 HB THR 2 2.863 -6.283 -9.768 15 HG1 THR 2 HG1 THR 2 4.406 -5.253 -10.802 16 H LEU 3 HN LEU 3 1.424 -3.575 -7.664 17 HA LEU 3 HA LEU 3 0.463 -5.390 -6.054 18 1HB LEU 3 HB2 LEU 3 -0.678 -3.789 -4.813 19 2HB LEU 3 HB1 LEU 3 0.571 -2.911 -5.655 20 HG LEU 3 HG LEU 3 -1.307 -1.525 -5.765 21 H ASN 4 HN ASN 4 -0.951 -6.895 -5.945 22 HA ASN 4 HA ASN 4 -3.039 -7.102 -7.932 23 1HB ASN 4 HB2 ASN 4 -2.077 -8.947 -5.757 24 2HB ASN 4 HB1 ASN 4 -3.389 -9.347 -6.862 25 H ILE 5 HN ILE 5 -5.165 -8.037 -7.200 26 HA ILE 5 HA ILE 5 -6.104 -6.786 -4.714 27 HB ILE 5 HB ILE 5 -8.319 -6.710 -6.376 28 H THR 6 HN THR 6 -7.996 -7.746 -3.793 29 HA THR 6 HA THR 6 -8.846 -10.318 -4.859 30 HB THR 6 HB THR 6 -7.824 -10.093 -2.026 31 HG1 THR 6 HG1 THR 6 -6.013 -10.028 -3.224 32 H SER 7 HN SER 7 -10.287 -8.001 -4.791 33 HA SER 7 HA SER 7 -11.809 -7.367 -2.598 34 1HB SER 7 HB2 SER 7 -13.585 -6.713 -4.231 35 2HB SER 7 HB1 SER 7 -11.987 -6.093 -4.636 36 HG SER 7 HG SER 7 -11.851 -8.067 -6.003 37 H LYS 8 HN LYS 8 -12.937 -8.636 -1.282 38 HA LYS 8 HA LYS 8 -13.746 -11.248 -1.872 39 1HB LYS 8 HB2 LYS 8 -14.622 -11.331 0.265 40 2HB LYS 8 HB1 LYS 8 -13.449 -10.032 0.415 41 1HG LYS 8 HG2 LYS 8 -15.398 -8.453 -0.063 42 2HG LYS 8 HG1 LYS 8 -16.435 -9.845 0.247 43 1HD LYS 8 HD2 LYS 8 -14.408 -9.532 2.298 44 2HD LYS 8 HD1 LYS 8 -15.405 -8.085 2.135 45 1HE LYS 8 HE2 LYS 8 -17.097 -10.377 2.032 46 2HE LYS 8 HE1 LYS 8 -16.035 -10.523 3.432 47 1HZ LYS 8 HZ1 LYS 8 -18.308 -9.173 3.479 48 2HZ LYS 8 HZ2 LYS 8 -17.272 -7.923 3.005 49 3HZ LYS 8 HZ3 LYS 8 -16.981 -8.760 4.445 50 H GLN 9 HN GLN 9 -15.540 -8.200 -2.028 51 HA GLN 9 HA GLN 9 -17.694 -9.657 -3.402 52 1HB GLN 9 HB2 GLN 9 -19.072 -7.564 -2.529 53 2HB GLN 9 HB1 GLN 9 -18.859 -9.010 -1.554 54 1HG GLN 9 HG2 GLN 9 -17.416 -7.991 -0.105 55 2HG GLN 9 HG1 GLN 9 -16.866 -6.819 -1.301 56 H MET 10 HN MET 10 -17.436 -6.159 -3.007 57 HA MET 10 HA MET 10 -18.062 -5.511 -5.601 58 1HB MET 10 HB2 MET 10 -16.956 -3.314 -5.156 59 2HB MET 10 HB1 MET 10 -18.106 -3.818 -3.930 60 1HG MET 10 HG2 MET 10 -16.560 -3.860 -2.331 61 2HG MET 10 HG1 MET 10 -15.389 -4.679 -3.358 62 1HE MET 10 HE1 MET 10 -15.477 -2.068 -1.134 63 2HE MET 10 HE2 MET 10 -14.105 -1.121 -1.703 64 3HE MET 10 HE3 MET 10 -13.949 -2.867 -1.496 65 H ASP 11 HN ASP 11 -17.072 -6.294 -7.353 66 HA ASP 11 HA ASP 11 -14.433 -7.121 -7.534 67 1HB ASP 11 HB2 ASP 11 -16.065 -6.009 -9.823 68 2HB ASP 11 HB1 ASP 11 -14.732 -7.156 -9.929 69 H ILE 12 HN ILE 12 -13.000 -6.012 -9.434 70 HA ILE 12 HA ILE 12 -12.502 -3.307 -8.413 71 HB ILE 12 HB ILE 12 -10.356 -4.001 -10.085 72 H THR 13 HN THR 13 -12.065 -1.597 -9.786 73 HA THR 13 HA THR 13 -12.601 -1.911 -12.631 74 HB THR 13 HB THR 13 -14.031 0.364 -12.086 75 HG1 THR 13 HG1 THR 13 -14.405 0.272 -10.016 76 HA PRO 14 HA PRO 14 -9.701 1.270 -13.625 77 1HB PRO 14 HB2 PRO 14 -11.974 3.188 -13.962 78 2HB PRO 14 HB1 PRO 14 -10.563 2.935 -14.996 79 1HG PRO 14 HG2 PRO 14 -12.920 1.892 -15.656 80 2HG PRO 14 HG1 PRO 14 -11.421 0.982 -15.916 81 1HD PRO 14 HD2 PRO 14 -13.549 0.577 -13.894 82 2HD PRO 14 HD1 PRO 14 -12.429 -0.599 -14.607 83 H ALA 15 HN ALA 15 -12.389 2.544 -11.654 84 HA ALA 15 HA ALA 15 -11.043 4.670 -10.470 85 1HB ALA 15 HB1 ALA 15 -13.400 4.531 -10.221 86 2HB ALA 15 HB2 ALA 15 -12.712 4.401 -8.603 87 3HB ALA 15 HB3 ALA 15 -13.292 2.957 -9.433 88 H ILE 16 HN ILE 16 -11.903 1.891 -8.429 89 HA ILE 16 HA ILE 16 -9.920 2.249 -6.552 90 HB ILE 16 HB ILE 16 -10.083 -0.350 -6.299 91 H ARG 17 HN ARG 17 -9.825 -0.032 -9.298 92 HA ARG 17 HA ARG 17 -7.351 -1.118 -9.084 93 1HB ARG 17 HB2 ARG 17 -9.027 -1.425 -10.966 94 2HB ARG 17 HB1 ARG 17 -8.360 0.029 -11.694 95 1HG ARG 17 HG2 ARG 17 -6.490 -1.013 -12.391 96 2HG ARG 17 HG1 ARG 17 -6.403 -2.051 -10.968 97 1HD ARG 17 HD2 ARG 17 -8.679 -2.930 -12.236 98 2HD ARG 17 HD1 ARG 17 -7.605 -2.544 -13.579 99 HE ARG 17 HE ARG 17 -6.259 -4.063 -11.593 100 1HH1 ARG 17 HH11 ARG 17 -8.548 -4.342 -14.213 101 2HH1 ARG 17 HH12 ARG 17 -8.159 -5.997 -14.542 102 1HH2 ARG 17 HH21 ARG 17 -5.747 -6.241 -12.025 103 2HH2 ARG 17 HH22 ARG 17 -6.570 -7.075 -13.300 104 H GLU 18 HN GLU 18 -8.018 1.954 -10.766 105 HA GLU 18 HA GLU 18 -5.336 2.709 -11.149 106 1HB GLU 18 HB2 GLU 18 -7.148 3.742 -12.410 107 2HB GLU 18 HB1 GLU 18 -7.836 4.408 -10.933 108 1HG GLU 18 HG2 GLU 18 -5.638 5.660 -10.666 109 2HG GLU 18 HG1 GLU 18 -5.302 5.195 -12.333 110 H HIS 19 HN HIS 19 -7.597 3.239 -8.501 111 HA HIS 19 HA HIS 19 -6.053 5.084 -7.030 112 1HB HIS 19 HB2 HIS 19 -8.529 4.352 -6.752 113 2HB HIS 19 HB1 HIS 19 -7.877 3.034 -5.790 114 HD1 HIS 19 HD1 HIS 19 -6.535 6.559 -5.627 115 HD2 HIS 19 HD2 HIS 19 -8.850 3.907 -3.448 116 HE1 HIS 19 HE1 HIS 19 -6.869 7.660 -3.386 117 HE2 HIS 19 HE2 HIS 19 -8.370 6.081 -2.117 118 H LEU 20 HN LEU 20 -6.638 1.658 -6.295 119 HA LEU 20 HA LEU 20 -4.669 1.170 -4.463 120 1HB LEU 20 HB2 LEU 20 -5.226 -0.807 -6.647 121 2HB LEU 20 HB1 LEU 20 -4.898 -1.107 -4.949 122 HG LEU 20 HG LEU 20 -7.440 0.075 -6.075 123 H GLU 21 HN GLU 21 -4.361 0.964 -7.997 124 HA GLU 21 HA GLU 21 -1.635 0.275 -8.060 125 1HB GLU 21 HB2 GLU 21 -3.417 1.660 -10.063 126 2HB GLU 21 HB1 GLU 21 -1.740 1.256 -10.407 127 1HG GLU 21 HG2 GLU 21 -2.238 -1.108 -10.021 128 2HG GLU 21 HG1 GLU 21 -3.919 -0.697 -9.700 129 H GLU 22 HN GLU 22 -3.228 3.441 -8.427 130 HA GLU 22 HA GLU 22 -0.925 5.001 -8.656 131 1HB GLU 22 HB2 GLU 22 -3.198 5.857 -9.082 132 2HB GLU 22 HB1 GLU 22 -3.555 5.758 -7.363 133 1HG GLU 22 HG2 GLU 22 -2.620 7.728 -6.970 134 2HG GLU 22 HG1 GLU 22 -1.158 7.289 -7.851 135 H ARG 23 HN ARG 23 -2.856 4.355 -5.727 136 HA ARG 23 HA ARG 23 -1.235 5.612 -3.865 137 1HB ARG 23 HB2 ARG 23 -3.514 4.307 -3.585 138 2HB ARG 23 HB1 ARG 23 -2.448 2.979 -3.141 139 1HG ARG 23 HG2 ARG 23 -3.132 4.108 -1.160 140 2HG ARG 23 HG1 ARG 23 -1.425 4.448 -1.426 141 1HD ARG 23 HD2 ARG 23 -2.017 6.587 -1.100 142 2HD ARG 23 HD1 ARG 23 -2.609 6.505 -2.759 143 HE ARG 23 HE ARG 23 -4.653 5.620 -1.088 144 1HH1 ARG 23 HH11 ARG 23 -2.877 8.558 -1.715 145 2HH1 ARG 23 HH12 ARG 23 -4.187 9.595 -1.263 146 1HH2 ARG 23 HH21 ARG 23 -6.378 6.983 -0.493 147 2HH2 ARG 23 HH22 ARG 23 -6.176 8.701 -0.568 148 H LEU 24 HN LEU 24 -0.989 2.372 -5.243 149 HA LEU 24 HA LEU 24 1.170 1.462 -3.694 150 1HB LEU 24 HB2 LEU 24 -0.316 0.130 -5.290 151 2HB LEU 24 HB1 LEU 24 0.684 0.754 -6.586 152 HG LEU 24 HG LEU 24 1.477 -1.420 -6.112 153 H ALA 25 HN ALA 25 1.113 2.925 -6.943 154 HA ALA 25 HA ALA 25 3.842 3.118 -7.380 155 1HB ALA 25 HB1 ALA 25 1.450 4.524 -8.389 156 2HB ALA 25 HB2 ALA 25 2.765 3.746 -9.269 157 3HB ALA 25 HB3 ALA 25 2.987 5.362 -8.599 158 H LYS 26 HN LYS 26 1.720 5.041 -5.391 159 HA LYS 26 HA LYS 26 3.591 7.152 -4.904 160 1HB LYS 26 HB2 LYS 26 0.967 7.078 -4.618 161 2HB LYS 26 HB1 LYS 26 1.370 6.507 -3.005 162 1HG LYS 26 HG2 LYS 26 1.397 8.679 -2.481 163 2HG LYS 26 HG1 LYS 26 3.000 8.666 -3.219 164 1HD LYS 26 HD2 LYS 26 0.780 9.013 -5.110 165 2HD LYS 26 HD1 LYS 26 0.966 10.325 -3.945 166 1HE LYS 26 HE2 LYS 26 3.554 9.789 -4.774 167 2HE LYS 26 HE1 LYS 26 2.596 9.633 -6.245 168 1HZ LYS 26 HZ1 LYS 26 2.220 11.961 -4.482 169 2HZ LYS 26 HZ2 LYS 26 1.920 11.819 -6.141 170 3HZ LYS 26 HZ3 LYS 26 3.510 11.931 -5.576 171 H LEU 27 HN LEU 27 2.680 4.139 -3.320 172 HA LEU 27 HA LEU 27 4.361 4.605 -1.033 173 1HB LEU 27 HB2 LEU 27 2.437 2.590 -1.878 174 2HB LEU 27 HB1 LEU 27 3.845 1.875 -1.117 175 HG LEU 27 HG LEU 27 1.950 3.892 0.084 176 H GLY 28 HN GLY 28 4.982 3.715 -4.212 177 1HA GLY 28 HA2 GLY 28 7.075 1.818 -3.790 178 2HA GLY 28 HA1 GLY 28 6.785 2.732 -5.264 179 H LYS 29 HN LYS 29 6.962 5.312 -4.164 180 HA LYS 29 HA LYS 29 9.715 5.815 -4.330 181 1HB LYS 29 HB2 LYS 29 8.314 7.609 -4.895 182 2HB LYS 29 HB1 LYS 29 7.331 7.421 -3.455 183 1HG LYS 29 HG2 LYS 29 9.939 8.066 -2.587 184 2HG LYS 29 HG1 LYS 29 9.546 9.148 -3.917 185 1HD LYS 29 HD2 LYS 29 8.227 10.342 -2.595 186 2HD LYS 29 HD1 LYS 29 7.261 8.916 -2.227 187 1HE LYS 29 HE2 LYS 29 7.973 9.516 -0.125 188 2HE LYS 29 HE1 LYS 29 9.224 8.365 -0.593 189 1HZ LYS 29 HZ1 LYS 29 9.728 10.812 0.337 190 2HZ LYS 29 HZ2 LYS 29 9.737 11.122 -1.325 191 3HZ LYS 29 HZ3 LYS 29 10.782 9.961 -0.678 192 H TRP 30 HN TRP 30 7.691 5.025 -1.629 193 HA TRP 30 HA TRP 30 9.147 6.029 0.460 194 1HB TRP 30 HB2 TRP 30 7.119 3.902 0.086 195 2HB TRP 30 HB1 TRP 30 8.023 3.921 1.588 196 HD1 TRP 30 HD1 TRP 30 5.571 6.092 -0.428 197 HE1 TRP 30 HE1 TRP 30 4.468 7.768 1.188 198 HE3 TRP 30 HE3 TRP 30 8.292 5.072 3.756 199 HZ2 TRP 30 HZ2 TRP 30 4.731 8.551 3.896 200 HZ3 TRP 30 HZ3 TRP 30 7.818 6.324 5.812 201 HH2 TRP 30 HH2 TRP 30 6.074 8.030 5.883 202 H GLN 31 HN GLN 31 10.475 5.018 1.913 203 HA GLN 31 HA GLN 31 12.688 3.647 0.872 204 1HB GLN 31 HB2 GLN 31 11.715 4.087 3.693 205 2HB GLN 31 HB1 GLN 31 13.190 3.198 3.355 206 1HG GLN 31 HG2 GLN 31 13.532 5.574 3.948 207 2HG GLN 31 HG1 GLN 31 14.214 5.112 2.387 208 H THR 32 HN THR 32 11.218 1.960 -0.227 209 HA THR 32 HA THR 32 11.528 -0.509 1.144 210 HB THR 32 HB THR 32 8.831 0.797 0.971 211 HG1 THR 32 HG1 THR 32 10.275 -0.620 2.948 212 H GLN 33 HN GLN 33 10.873 -2.327 -0.125 213 HA GLN 33 HA GLN 33 10.396 -1.772 -2.968 214 1HB GLN 33 HB2 GLN 33 11.751 -3.949 -3.320 215 2HB GLN 33 HB1 GLN 33 12.618 -2.441 -3.076 216 1HG GLN 33 HG2 GLN 33 12.026 -3.975 -0.644 217 2HG GLN 33 HG1 GLN 33 13.158 -4.728 -1.765 218 H LEU 34 HN LEU 34 8.266 -2.100 -2.485 219 HA LEU 34 HA LEU 34 6.917 -3.857 -1.080 220 1HB LEU 34 HB2 LEU 34 6.415 -2.791 -3.808 221 2HB LEU 34 HB1 LEU 34 5.314 -3.988 -3.157 222 HG LEU 34 HG LEU 34 4.520 -2.574 -1.510 223 H ILE 35 HN ILE 35 7.221 -5.868 -0.665 224 HA ILE 35 HA ILE 35 8.146 -7.750 -2.667 225 HB ILE 35 HB ILE 35 7.586 -8.003 0.295 226 H SER 36 HN SER 36 6.375 -7.908 -4.053 227 HA SER 36 HA SER 36 4.325 -8.573 -4.817 228 1HB SER 36 HB2 SER 36 4.990 -10.792 -4.428 229 2HB SER 36 HB1 SER 36 4.994 -10.585 -2.677 230 HG SER 36 HG SER 36 2.634 -10.466 -4.241 231 HA PRO 37 HA PRO 37 1.818 -6.372 -1.758 232 1HB PRO 37 HB2 PRO 37 1.092 -4.357 -3.395 233 2HB PRO 37 HB1 PRO 37 2.655 -4.407 -2.579 234 1HG PRO 37 HG2 PRO 37 2.028 -4.816 -5.419 235 2HG PRO 37 HG1 PRO 37 3.553 -4.365 -4.666 236 1HD PRO 37 HD2 PRO 37 2.694 -6.944 -5.586 237 2HD PRO 37 HD1 PRO 37 4.252 -6.483 -4.885 238 H HIS 38 HN HIS 38 -0.295 -6.506 -1.363 239 HA HIS 38 HA HIS 38 -2.152 -7.146 -3.559 240 1HB HIS 38 HB2 HIS 38 -1.562 -8.700 -1.176 241 2HB HIS 38 HB1 HIS 38 -3.261 -8.310 -1.298 242 HD1 HIS 38 HD1 HIS 38 -1.028 -10.869 -2.183 243 HD2 HIS 38 HD2 HIS 38 -4.170 -8.987 -4.139 244 HE1 HIS 38 HE1 HIS 38 -1.775 -12.481 -3.962 245 HE2 HIS 38 HE2 HIS 38 -3.600 -11.273 -5.208 246 H PHE 39 HN PHE 39 -4.446 -6.826 -2.799 247 HA PHE 39 HA PHE 39 -4.819 -4.911 -0.691 248 1HB PHE 39 HB2 PHE 39 -4.571 -4.008 -3.411 249 2HB PHE 39 HB1 PHE 39 -6.175 -3.671 -2.780 250 HD1 PHE 39 HD1 PHE 39 -6.571 -1.946 -1.272 251 HD2 PHE 39 HD2 PHE 39 -2.577 -3.148 -2.118 252 HE1 PHE 39 HE1 PHE 39 -5.728 0.018 -0.057 253 HE2 PHE 39 HE2 PHE 39 -1.726 -1.184 -0.903 254 HZ PHE 39 HZ PHE 39 -3.306 0.401 0.132 255 H VAL 40 HN VAL 40 -6.287 -6.134 0.338 256 HA VAL 40 HA VAL 40 -8.485 -7.330 -1.122 257 HB VAL 40 HB VAL 40 -7.918 -7.378 1.844 258 H LEU 41 HN LEU 41 -9.674 -5.533 -1.775 259 HA LEU 41 HA LEU 41 -10.656 -3.677 0.247 260 1HB LEU 41 HB2 LEU 41 -11.564 -2.429 -1.644 261 2HB LEU 41 HB1 LEU 41 -9.855 -2.756 -1.854 262 HG LEU 41 HG LEU 41 -11.643 -4.749 -3.075 263 H ASN 42 HN ASN 42 -12.807 -3.392 0.776 264 HA ASN 42 HA ASN 42 -14.823 -5.025 -0.503 265 1HB ASN 42 HB2 ASN 42 -14.554 -5.279 2.480 266 2HB ASN 42 HB1 ASN 42 -15.526 -6.249 1.381 267 H LYS 43 HN LYS 43 -16.988 -4.639 0.451 268 HA LYS 43 HA LYS 43 -17.266 -1.913 1.557 269 1HB LYS 43 HB2 LYS 43 -18.023 -1.385 -0.529 270 2HB LYS 43 HB1 LYS 43 -18.353 -3.055 -0.954 271 1HG LYS 43 HG2 LYS 43 -20.429 -2.971 0.376 272 2HG LYS 43 HG1 LYS 43 -20.106 -1.281 0.754 273 1HD LYS 43 HD2 LYS 43 -19.895 -1.407 -2.015 274 2HD LYS 43 HD1 LYS 43 -21.260 -2.458 -1.635 275 1HE LYS 43 HE2 LYS 43 -21.153 0.150 -0.243 276 2HE LYS 43 HE1 LYS 43 -21.497 0.187 -1.971 277 1HZ LYS 43 HZ1 LYS 43 -23.524 0.061 -0.667 278 2HZ LYS 43 HZ2 LYS 43 -23.003 -1.376 0.057 279 3HZ LYS 43 HZ3 LYS 43 -23.334 -1.337 -1.602 280 H VAL 44 HN VAL 44 -19.540 -1.595 2.404 281 HA VAL 44 HA VAL 44 -21.073 -3.903 3.047 282 HB VAL 44 HB VAL 44 -20.874 -3.359 5.556 283 HA PRO 45 HA PRO 45 -24.457 -1.133 3.345 284 1HB PRO 45 HB2 PRO 45 -25.010 -2.263 6.051 285 2HB PRO 45 HB1 PRO 45 -26.096 -2.067 4.671 286 1HG PRO 45 HG2 PRO 45 -25.107 -4.459 5.284 287 2HG PRO 45 HG1 PRO 45 -25.284 -3.953 3.593 288 1HD PRO 45 HD2 PRO 45 -22.825 -4.151 5.267 289 2HD PRO 45 HD1 PRO 45 -23.036 -4.441 3.529 290 H ASN 46 HN ASN 46 -22.649 -1.474 6.377 291 HA ASN 46 HA ASN 46 -23.363 1.166 7.271 292 1HB ASN 46 HB2 ASN 46 -21.828 -1.125 8.359 293 2HB ASN 46 HB1 ASN 46 -21.399 0.472 8.966 294 H GLY 47 HN GLY 47 -21.233 0.208 4.938 295 1HA GLY 47 HA2 GLY 47 -20.048 2.522 4.338 296 2HA GLY 47 HA1 GLY 47 -19.075 1.991 5.692 297 H PHE 48 HN PHE 48 -17.267 1.783 4.537 298 HA PHE 48 HA PHE 48 -17.147 -0.458 2.644 299 1HB PHE 48 HB2 PHE 48 -15.860 2.236 2.521 300 2HB PHE 48 HB1 PHE 48 -15.131 0.882 1.716 301 HD1 PHE 48 HD1 PHE 48 -17.928 3.218 1.736 302 HD2 PHE 48 HD2 PHE 48 -16.136 -0.092 -0.225 303 HE1 PHE 48 HE1 PHE 48 -19.341 3.627 -0.237 304 HE2 PHE 48 HE2 PHE 48 -17.544 0.294 -2.200 305 HZ PHE 48 HZ PHE 48 -19.145 2.156 -2.210 306 H SER 49 HN SER 49 -15.626 -1.972 3.111 307 HA SER 49 HA SER 49 -13.695 -1.311 5.223 308 1HB SER 49 HB2 SER 49 -13.887 -4.124 4.980 309 2HB SER 49 HB1 SER 49 -14.371 -3.113 6.335 310 HG SER 49 HG SER 49 -15.911 -4.362 4.447 311 H VAL 50 HN VAL 50 -11.685 -1.304 4.648 312 HA VAL 50 HA VAL 50 -10.876 -2.822 2.254 313 HB VAL 50 HB VAL 50 -9.340 -0.369 2.838 314 H GLU 51 HN GLU 51 -9.160 -4.109 2.502 315 HA GLU 51 HA GLU 51 -7.321 -3.636 4.742 316 1HB GLU 51 HB2 GLU 51 -8.683 -5.386 5.570 317 2HB GLU 51 HB1 GLU 51 -8.723 -6.193 4.017 318 1HG GLU 51 HG2 GLU 51 -6.934 -7.401 4.504 319 2HG GLU 51 HG1 GLU 51 -6.019 -5.971 4.971 320 H ALA 52 HN ALA 52 -5.274 -3.648 4.155 321 HA ALA 52 HA ALA 52 -4.583 -4.766 1.520 322 1HB ALA 52 HB1 ALA 52 -4.392 -2.347 1.571 323 2HB ALA 52 HB2 ALA 52 -2.799 -3.087 1.410 324 3HB ALA 52 HB3 ALA 52 -3.320 -2.444 2.968 325 H SER 53 HN SER 53 -2.482 -5.687 1.260 326 HA SER 53 HA SER 53 -0.993 -6.345 3.667 327 1HB SER 53 HB2 SER 53 -1.913 -8.556 1.830 328 2HB SER 53 HB1 SER 53 -1.093 -8.710 3.383 329 HG SER 53 HG SER 53 -3.042 -7.603 4.242 330 H ILE 54 HN ILE 54 0.888 -5.501 3.052 331 HA ILE 54 HA ILE 54 2.028 -6.381 0.478 332 HB ILE 54 HB ILE 54 2.954 -3.861 1.807 333 H GLY 55 HN GLY 55 4.582 -6.028 0.611 334 1HA GLY 55 HA2 GLY 55 5.537 -6.894 3.237 335 2HA GLY 55 HA1 GLY 55 5.919 -7.854 1.839 336 H THR 56 HN THR 56 7.576 -6.404 3.743 337 HA THR 56 HA THR 56 9.156 -4.918 1.782 338 HB THR 56 HB THR 56 9.389 -3.040 2.999 339 HG1 THR 56 HG1 THR 56 9.036 -4.180 5.523 340 HA PRO 57 HA PRO 57 12.400 -7.692 3.013 341 1HB PRO 57 HB2 PRO 57 14.187 -5.341 2.761 342 2HB PRO 57 HB1 PRO 57 14.301 -6.926 1.995 343 1HG PRO 57 HG2 PRO 57 13.520 -4.718 0.667 344 2HG PRO 57 HG1 PRO 57 12.933 -6.334 0.259 345 1HD PRO 57 HD2 PRO 57 11.538 -4.090 1.584 346 2HD PRO 57 HD1 PRO 57 10.883 -5.447 0.646 347 H LEU 58 HN LEU 58 11.767 -4.595 4.481 348 HA LEU 58 HA LEU 58 13.347 -5.336 6.840 349 1HB LEU 58 HB2 LEU 58 12.376 -2.744 5.721 350 2HB LEU 58 HB1 LEU 58 12.709 -2.864 7.439 351 HG LEU 58 HG LEU 58 15.010 -3.868 6.513 352 H GLY 59 HN GLY 59 10.393 -5.973 5.856 353 1HA GLY 59 HA2 GLY 59 9.213 -6.784 8.091 354 2HA GLY 59 HA1 GLY 59 8.904 -5.066 8.186 355 H ASN 60 HN ASN 60 6.990 -7.264 7.936 356 HA ASN 60 HA ASN 60 5.970 -7.151 5.243 357 1HB ASN 60 HB2 ASN 60 5.027 -8.407 7.805 358 2HB ASN 60 HB1 ASN 60 3.979 -8.341 6.398 359 H LEU 61 HN LEU 61 3.554 -6.596 4.983 360 HA LEU 61 HA LEU 61 2.818 -4.300 6.650 361 1HB LEU 61 HB2 LEU 61 2.862 -4.327 3.635 362 2HB LEU 61 HB1 LEU 61 2.078 -3.091 4.594 363 HG LEU 61 HG LEU 61 4.967 -3.573 5.104 364 H LEU 62 HN LEU 62 0.754 -4.189 7.165 365 HA LEU 62 HA LEU 62 -1.293 -5.406 5.538 366 1HB LEU 62 HB2 LEU 62 -1.149 -6.221 8.421 367 2HB LEU 62 HB1 LEU 62 -2.187 -6.861 7.167 368 HG LEU 62 HG LEU 62 0.803 -7.224 7.133 369 H ALA 63 HN ALA 63 -3.327 -4.573 5.973 370 HA ALA 63 HA ALA 63 -3.734 -2.771 8.185 371 1HB ALA 63 HB1 ALA 63 -2.799 -1.053 7.031 372 2HB ALA 63 HB2 ALA 63 -4.428 -0.963 6.361 373 3HB ALA 63 HB3 ALA 63 -3.147 -1.772 5.458 374 H SER 64 HN SER 64 -5.911 -1.874 8.228 375 HA SER 64 HA SER 64 -7.902 -2.810 6.412 376 1HB SER 64 HB2 SER 64 -9.029 -3.999 8.582 377 2HB SER 64 HB1 SER 64 -8.124 -4.867 7.342 378 HG SER 64 HG SER 64 -7.463 -4.328 9.957 379 H ALA 65 HN ALA 65 -9.647 -1.495 6.510 380 HA ALA 65 HA ALA 65 -10.309 -0.132 8.985 381 1HB ALA 65 HB1 ALA 65 -8.944 1.582 8.420 382 2HB ALA 65 HB2 ALA 65 -10.348 2.062 7.466 383 3HB ALA 65 HB3 ALA 65 -9.008 1.213 6.696 384 H THR 66 HN THR 66 -12.367 0.783 9.022 385 HA THR 66 HA THR 66 -14.079 0.197 6.699 386 HB THR 66 HB THR 66 -14.793 -0.180 9.614 387 HG1 THR 66 HG1 THR 66 -14.017 -2.088 9.328 388 H SER 67 HN SER 67 -15.303 1.896 6.024 389 HA SER 67 HA SER 67 -16.254 3.889 7.844 390 1HB SER 67 HB2 SER 67 -13.693 4.291 6.621 391 2HB SER 67 HB1 SER 67 -14.828 5.464 5.971 392 HG SER 67 HG SER 67 -15.397 5.833 8.269 393 H ASP 68 HN ASP 68 -17.504 5.583 6.731 394 HA ASP 68 HA ASP 68 -18.977 4.437 4.536 395 1HB ASP 68 HB2 ASP 68 -19.669 6.070 6.617 396 2HB ASP 68 HB1 ASP 68 -19.573 7.222 5.288 397 H ASP 69 HN ASP 69 -16.103 5.909 4.532 398 HA ASP 69 HA ASP 69 -16.647 7.323 2.008 399 1HB ASP 69 HB2 ASP 69 -14.875 8.033 4.310 400 2HB ASP 69 HB1 ASP 69 -14.403 8.528 2.688 401 H MET 70 HN MET 70 -16.165 5.806 0.565 402 HA MET 70 HA MET 70 -14.497 3.728 0.508 403 1HB MET 70 HB2 MET 70 -15.716 5.459 -1.437 404 2HB MET 70 HB1 MET 70 -14.158 4.895 -2.023 405 1HG MET 70 HG2 MET 70 -15.513 2.684 -0.883 406 2HG MET 70 HG1 MET 70 -16.642 3.526 -1.941 407 1HE MET 70 HE1 MET 70 -13.442 1.972 -1.314 408 2HE MET 70 HE2 MET 70 -12.485 2.348 -2.755 409 3HE MET 70 HE3 MET 70 -13.340 0.809 -2.637 410 H TYR 71 HN TYR 71 -13.379 6.741 -1.027 411 HA TYR 71 HA TYR 71 -10.702 5.896 -1.076 412 1HB TYR 71 HB2 TYR 71 -12.136 8.389 -1.747 413 2HB TYR 71 HB1 TYR 71 -10.407 8.535 -1.423 414 HD1 TYR 71 HD1 TYR 71 -10.094 9.192 -3.824 415 HD2 TYR 71 HD2 TYR 71 -11.615 5.377 -2.712 416 HE1 TYR 71 HE1 TYR 71 -9.593 8.332 -6.075 417 HE2 TYR 71 HE2 TYR 71 -11.109 4.503 -4.933 418 HH TYR 71 HH TYR 71 -10.753 5.300 -7.188 419 H LYS 72 HN LYS 72 -12.526 7.450 1.412 420 HA LYS 72 HA LYS 72 -10.243 8.448 2.832 421 1HB LYS 72 HB2 LYS 72 -12.575 9.293 3.125 422 2HB LYS 72 HB1 LYS 72 -12.914 7.789 3.948 423 1HG LYS 72 HG2 LYS 72 -11.019 8.384 5.521 424 2HG LYS 72 HG1 LYS 72 -11.098 9.998 4.812 425 1HD LYS 72 HD2 LYS 72 -12.636 10.433 6.377 426 2HD LYS 72 HD1 LYS 72 -13.730 9.457 5.394 427 1HE LYS 72 HE2 LYS 72 -13.686 7.719 6.834 428 2HE LYS 72 HE1 LYS 72 -11.984 7.956 7.230 429 1HZ LYS 72 HZ1 LYS 72 -12.477 9.353 8.923 430 2HZ LYS 72 HZ2 LYS 72 -13.914 8.463 8.941 431 3HZ LYS 72 HZ3 LYS 72 -13.866 9.973 8.182 432 H ALA 73 HN ALA 73 -12.219 5.536 2.818 433 HA ALA 73 HA ALA 73 -11.075 4.261 5.068 434 1HB ALA 73 HB1 ALA 73 -12.225 2.352 4.403 435 2HB ALA 73 HB2 ALA 73 -12.039 2.714 2.688 436 3HB ALA 73 HB3 ALA 73 -13.192 3.626 3.661 437 H ILE 74 HN ILE 74 -10.424 4.242 1.611 438 HA ILE 74 HA ILE 74 -8.122 2.579 1.681 439 HB ILE 74 HB ILE 74 -9.276 4.552 -0.267 440 H ASN 75 HN ASN 75 -8.823 5.967 2.030 441 HA ASN 75 HA ASN 75 -6.284 7.097 2.102 442 1HB ASN 75 HB2 ASN 75 -8.786 8.014 2.190 443 2HB ASN 75 HB1 ASN 75 -8.459 8.105 3.910 444 H GLU 76 HN GLU 76 -8.285 5.613 4.586 445 HA GLU 76 HA GLU 76 -6.504 6.062 6.759 446 1HB GLU 76 HB2 GLU 76 -9.108 5.083 6.422 447 2HB GLU 76 HB1 GLU 76 -8.202 3.730 7.086 448 1HG GLU 76 HG2 GLU 76 -7.930 6.411 8.352 449 2HG GLU 76 HG1 GLU 76 -9.384 5.457 8.651 450 H VAL 77 HN VAL 77 -7.268 3.146 4.829 451 HA VAL 77 HA VAL 77 -5.513 1.349 5.920 452 HB VAL 77 HB VAL 77 -5.896 1.580 2.943 453 H GLU 78 HN GLU 78 -4.870 3.566 3.217 454 HA GLU 78 HA GLU 78 -2.196 2.937 2.855 455 1HB GLU 78 HB2 GLU 78 -3.444 4.330 1.275 456 2HB GLU 78 HB1 GLU 78 -3.562 5.610 2.475 457 1HG GLU 78 HG2 GLU 78 -0.824 4.962 2.178 458 2HG GLU 78 HG1 GLU 78 -1.517 5.136 0.566 459 H GLU 79 HN GLU 79 -3.767 4.999 5.192 460 HA GLU 79 HA GLU 79 -1.443 6.264 6.195 461 1HB GLU 79 HB2 GLU 79 -4.084 6.624 6.624 462 2HB GLU 79 HB1 GLU 79 -3.679 5.702 8.065 463 1HG GLU 79 HG2 GLU 79 -3.291 7.766 8.884 464 2HG GLU 79 HG1 GLU 79 -1.707 7.485 8.162 465 H LYS 80 HN LYS 80 -3.180 3.300 7.037 466 HA LYS 80 HA LYS 80 -1.561 2.599 9.256 467 1HB LYS 80 HB2 LYS 80 -3.291 0.973 7.396 468 2HB LYS 80 HB1 LYS 80 -2.404 0.242 8.716 469 1HG LYS 80 HG2 LYS 80 -4.306 2.514 9.165 470 2HG LYS 80 HG1 LYS 80 -4.846 0.835 9.119 471 1HD LYS 80 HD2 LYS 80 -2.827 0.557 10.831 472 2HD LYS 80 HD1 LYS 80 -3.200 2.254 11.140 473 1HE LYS 80 HE2 LYS 80 -5.683 1.090 11.112 474 2HE LYS 80 HE1 LYS 80 -4.684 -0.159 11.855 475 1HZ LYS 80 HZ1 LYS 80 -5.438 2.455 12.866 476 2HZ LYS 80 HZ2 LYS 80 -3.841 1.990 13.170 477 3HZ LYS 80 HZ3 LYS 80 -5.118 1.020 13.703 478 H LEU 81 HN LEU 81 -1.571 1.470 5.891 479 HA LEU 81 HA LEU 81 0.699 -0.124 5.975 480 1HB LEU 81 HB2 LEU 81 -1.041 0.937 3.976 481 2HB LEU 81 HB1 LEU 81 0.609 1.184 3.438 482 HG LEU 81 HG LEU 81 -0.626 -0.969 2.742 483 H GLU 82 HN GLU 82 0.434 3.373 5.291 484 HA GLU 82 HA GLU 82 3.200 3.753 4.793 485 1HB GLU 82 HB2 GLU 82 1.124 5.312 4.367 486 2HB GLU 82 HB1 GLU 82 1.523 5.932 5.963 487 1HG GLU 82 HG2 GLU 82 3.289 7.060 5.207 488 2HG GLU 82 HG1 GLU 82 3.829 5.720 4.197 489 H ARG 83 HN ARG 83 1.211 4.200 7.706 490 HA ARG 83 HA ARG 83 3.185 5.115 9.434 491 1HB ARG 83 HB2 ARG 83 0.549 3.881 9.692 492 2HB ARG 83 HB1 ARG 83 1.619 3.467 11.023 493 1HG ARG 83 HG2 ARG 83 1.298 6.310 10.155 494 2HG ARG 83 HG1 ARG 83 0.118 5.547 11.223 495 1HD ARG 83 HD2 ARG 83 1.466 6.159 12.895 496 2HD ARG 83 HD1 ARG 83 2.521 4.850 12.363 497 HE ARG 83 HE ARG 83 3.064 7.200 10.892 498 1HH1 ARG 83 HH11 ARG 83 3.507 5.803 14.059 499 2HH1 ARG 83 HH12 ARG 83 4.939 6.714 14.398 500 1HH2 ARG 83 HH21 ARG 83 4.949 8.399 11.336 501 2HH2 ARG 83 HH22 ARG 83 5.758 8.189 12.853 502 H GLN 84 HN GLN 84 2.195 1.788 8.699 503 HA GLN 84 HA GLN 84 4.060 0.489 10.355 504 1HB GLN 84 HB2 GLN 84 2.785 -0.426 7.774 505 2HB GLN 84 HB1 GLN 84 3.680 -1.473 8.868 506 1HG GLN 84 HG2 GLN 84 2.025 -1.449 10.453 507 2HG GLN 84 HG1 GLN 84 1.368 0.087 9.894 508 H LEU 85 HN LEU 85 4.200 1.595 7.005 509 HA LEU 85 HA LEU 85 6.671 0.523 6.270 510 1HB LEU 85 HB2 LEU 85 4.935 2.731 5.367 511 2HB LEU 85 HB1 LEU 85 6.628 2.931 4.966 512 HG LEU 85 HG LEU 85 5.789 0.267 4.270 513 H ASN 86 HN ASN 86 5.952 3.780 7.520 514 HA ASN 86 HA ASN 86 8.599 4.622 7.822 515 1HB ASN 86 HB2 ASN 86 6.265 5.879 8.091 516 2HB ASN 86 HB1 ASN 86 6.549 5.531 9.794 517 H LYS 87 HN LYS 87 6.434 2.934 10.050 518 HA LYS 87 HA LYS 87 8.118 2.946 12.295 519 1HB LYS 87 HB2 LYS 87 5.613 1.854 11.621 520 2HB LYS 87 HB1 LYS 87 6.608 0.490 12.120 521 1HG LYS 87 HG2 LYS 87 5.812 1.074 14.150 522 2HG LYS 87 HG1 LYS 87 7.194 2.170 14.104 523 1HD LYS 87 HD2 LYS 87 5.425 3.752 12.923 524 2HD LYS 87 HD1 LYS 87 4.291 2.749 13.829 525 1HE LYS 87 HE2 LYS 87 4.855 4.684 15.144 526 2HE LYS 87 HE1 LYS 87 5.562 3.253 15.892 527 1HZ LYS 87 HZ1 LYS 87 7.084 5.027 14.072 528 2HZ LYS 87 HZ2 LYS 87 7.691 3.832 15.104 529 3HZ LYS 87 HZ3 LYS 87 7.042 5.255 15.748 530 H LEU 88 HN LEU 88 7.755 0.508 9.695 531 HA LEU 88 HA LEU 88 9.640 -1.251 10.806 532 1HB LEU 88 HB2 LEU 88 9.459 -2.515 8.896 533 2HB LEU 88 HB1 LEU 88 7.920 -1.698 8.961 534 HG LEU 88 HG LEU 88 9.151 -0.020 7.319 535 H GLN 89 HN GLN 89 10.006 1.112 8.180 536 HA GLN 89 HA GLN 89 12.772 0.775 7.824 537 1HB GLN 89 HB2 GLN 89 11.172 3.316 7.446 538 2HB GLN 89 HB1 GLN 89 12.766 2.998 6.776 539 1HG GLN 89 HG2 GLN 89 11.918 1.909 5.042 540 2HG GLN 89 HG1 GLN 89 10.871 0.930 6.067 541 H HIS 90 HN HIS 90 10.916 2.535 10.178 542 HA HIS 90 HA HIS 90 13.083 4.078 11.244 543 1HB HIS 90 HB2 HIS 90 10.277 3.452 12.091 544 2HB HIS 90 HB1 HIS 90 11.377 4.185 13.241 545 HD1 HIS 90 HD1 HIS 90 10.157 6.420 13.340 546 HD2 HIS 90 HD2 HIS 90 11.355 5.368 9.502 547 HE1 HIS 90 HE1 HIS 90 9.833 8.486 11.944 548 HE2 HIS 90 HE2 HIS 90 10.498 7.805 9.612 549 H LYS 91 HN LYS 91 11.429 1.088 12.104 550 HA LYS 91 HA LYS 91 12.499 0.529 14.536 551 1HB LYS 91 HB2 LYS 91 10.972 -0.848 12.753 552 2HB LYS 91 HB1 LYS 91 12.454 -1.793 12.722 553 1HG LYS 91 HG2 LYS 91 12.052 -2.684 14.721 554 2HG LYS 91 HG1 LYS 91 11.612 -1.126 15.423 555 1HD LYS 91 HD2 LYS 91 9.678 -2.336 13.535 556 2HD LYS 91 HD1 LYS 91 9.865 -3.130 15.100 557 1HE LYS 91 HE2 LYS 91 9.694 -0.569 15.899 558 2HE LYS 91 HE1 LYS 91 8.727 -0.488 14.427 559 1HZ LYS 91 HZ1 LYS 91 8.159 -2.729 16.181 560 2HZ LYS 91 HZ2 LYS 91 7.099 -1.727 15.327 561 3HZ LYS 91 HZ3 LYS 91 7.753 -1.206 16.797 562 H SER 92 HN SER 92 14.259 -0.875 15.223 563 HA SER 92 HA SER 92 16.396 -1.527 13.455 564 1HB SER 92 HB2 SER 92 16.392 1.115 14.583 565 2HB SER 92 HB1 SER 92 17.742 0.200 15.253 566 HG SER 92 HG SER 92 18.167 -0.384 12.968 567 H GLU 93 HN GLU 93 15.478 -0.829 16.806 568 HA GLU 93 HA GLU 93 15.805 -1.967 18.746 569 1HB GLU 93 HB2 GLU 93 15.563 -3.983 16.685 570 2HB GLU 93 HB1 GLU 93 16.636 -4.535 17.964 571 1HG GLU 93 HG2 GLU 93 13.891 -3.420 18.470 572 2HG GLU 93 HG1 GLU 93 14.223 -5.137 18.239 573 H SER 94 HN SER 94 17.601 -3.903 19.548 574 HA SER 94 HA SER 94 19.741 -4.150 20.277 575 1HB SER 94 HB2 SER 94 20.859 -2.917 17.803 576 2HB SER 94 HB1 SER 94 21.351 -4.383 18.650 577 HG SER 94 HG SER 94 19.284 -4.002 16.792 578 H ARG 95 HN ARG 95 19.718 -2.657 21.937 579 HA ARG 95 HA ARG 95 20.998 -0.077 21.318 580 1HB ARG 95 HB2 ARG 95 18.626 0.256 21.863 581 2HB ARG 95 HB1 ARG 95 18.852 -0.592 23.387 582 1HG ARG 95 HG2 ARG 95 20.194 1.137 24.265 583 2HG ARG 95 HG1 ARG 95 20.375 1.898 22.683 584 1HD ARG 95 HD2 ARG 95 18.795 3.226 23.771 585 2HD ARG 95 HD1 ARG 95 17.828 2.175 22.739 586 HE ARG 95 HE ARG 95 17.966 2.140 25.639 587 1HH1 ARG 95 HH11 ARG 95 16.883 0.530 22.733 588 2HH1 ARG 95 HH12 ARG 95 15.694 -0.419 23.557 589 1HH2 ARG 95 HH21 ARG 95 16.401 0.890 26.717 590 2HH2 ARG 95 HH22 ARG 95 15.419 -0.216 25.815 591 H ARG 96 HN ARG 96 20.294 -2.355 23.968 592 HA ARG 96 HA ARG 96 21.519 -3.031 25.762 593 1HB ARG 96 HB2 ARG 96 23.554 -2.570 23.638 594 2HB ARG 96 HB1 ARG 96 24.131 -2.822 25.279 595 1HG ARG 96 HG2 ARG 96 22.149 -4.728 24.140 596 2HG ARG 96 HG1 ARG 96 23.836 -4.830 23.634 597 1HD ARG 96 HD2 ARG 96 23.663 -6.297 25.458 598 2HD ARG 96 HD1 ARG 96 24.411 -4.840 26.114 599 HE ARG 96 HE ARG 96 22.565 -4.528 27.430 600 1HH1 ARG 96 HH11 ARG 96 21.787 -6.836 24.931 601 2HH1 ARG 96 HH12 ARG 96 20.248 -7.243 25.613 602 1HH2 ARG 96 HH21 ARG 96 20.542 -5.062 28.328 603 2HH2 ARG 96 HH22 ARG 96 19.540 -6.235 27.541 604 H ALA 97 HN ALA 97 20.686 -0.246 25.606 605 HA ALA 97 HA ALA 97 22.813 1.032 27.192 606 1HB ALA 97 HB1 ALA 97 20.547 2.453 25.813 607 2HB ALA 97 HB2 ALA 97 22.107 2.150 25.049 608 3HB ALA 97 HB3 ALA 97 22.014 3.153 26.497 609 H ASP 98 HN ASP 98 19.459 0.082 27.125 610 HA ASP 98 HA ASP 98 19.284 0.585 29.988 611 1HB ASP 98 HB2 ASP 98 17.612 1.946 27.916 612 2HB ASP 98 HB1 ASP 98 16.865 1.504 29.448 613 H GLU 99 HN GLU 99 18.913 -1.435 30.659 614 HA GLU 99 HA GLU 99 17.035 -3.122 29.176 615 1HB GLU 99 HB2 GLU 99 19.450 -3.771 30.117 616 2HB GLU 99 HB1 GLU 99 18.504 -4.151 31.550 617 1HG GLU 99 HG2 GLU 99 17.456 -5.205 29.010 618 2HG GLU 99 HG1 GLU 99 18.988 -5.887 29.555 619 H ARG 100 HN ARG 100 15.164 -1.945 29.890 620 HA ARG 100 HA ARG 100 14.079 -3.021 32.331 621 1HB ARG 100 HB2 ARG 100 15.411 -0.743 32.743 622 2HB ARG 100 HB1 ARG 100 13.883 -0.055 32.206 623 1HG ARG 100 HG2 ARG 100 12.986 -1.847 34.002 624 2HG ARG 100 HG1 ARG 100 14.557 -1.458 34.702 625 1HD ARG 100 HD2 ARG 100 12.377 0.493 33.973 626 2HD ARG 100 HD1 ARG 100 12.858 0.015 35.601 627 HE ARG 100 HE ARG 100 14.117 1.966 33.941 628 1HH1 ARG 100 HH11 ARG 100 14.708 -0.388 36.449 629 2HH1 ARG 100 HH12 ARG 100 16.112 0.425 37.055 630 1HH2 ARG 100 HH21 ARG 100 15.963 3.037 34.737 631 2HH2 ARG 100 HH22 ARG 100 16.824 2.371 36.084 632 H LEU 101 HN LEU 101 13.681 -0.693 29.692 633 HA LEU 101 HA LEU 101 11.844 0.020 28.543 634 1HB LEU 101 HB2 LEU 101 10.593 -1.784 27.474 635 2HB LEU 101 HB1 LEU 101 12.315 -2.090 27.456 636 HG LEU 101 HG LEU 101 11.948 -3.618 29.447 637 H LYS 102 HN LYS 102 9.238 -0.779 28.333 638 HA LYS 102 HA LYS 102 7.935 -1.197 30.806 639 1HB LYS 102 HB2 LYS 102 8.933 1.325 30.686 640 2HB LYS 102 HB1 LYS 102 7.348 1.573 29.968 641 1HG LYS 102 HG2 LYS 102 6.258 1.217 31.910 642 2HG LYS 102 HG1 LYS 102 7.412 0.002 32.462 643 1HD LYS 102 HD2 LYS 102 8.862 2.381 32.391 644 2HD LYS 102 HD1 LYS 102 7.287 2.833 33.048 645 1HE LYS 102 HE2 LYS 102 7.714 0.608 34.464 646 2HE LYS 102 HE1 LYS 102 9.390 1.072 34.171 647 1HZ LYS 102 HZ1 LYS 102 9.051 2.296 36.012 648 2HZ LYS 102 HZ2 LYS 102 7.372 2.356 35.819 649 3HZ LYS 102 HZ3 LYS 102 8.363 3.402 34.932 650 H ASP 103 HN ASP 103 6.573 -2.553 29.736 651 HA ASP 103 HA ASP 103 5.304 -1.877 27.272 652 1HB ASP 103 HB2 ASP 103 3.973 -3.937 27.668 653 2HB ASP 103 HB1 ASP 103 5.706 -4.205 27.828 654 H SER 104 HN SER 104 3.183 -1.276 26.877 655 HA SER 104 HA SER 104 1.265 -0.928 28.963 656 1HB SER 104 HB2 SER 104 3.058 1.097 28.930 657 2HB SER 104 HB1 SER 104 1.889 1.705 27.757 658 HG SER 104 HG SER 104 1.681 1.473 30.467 659 H PHE 105 HN PHE 105 2.283 0.084 25.721 660 HA PHE 105 HA PHE 105 -0.310 0.613 24.733 661 1HB PHE 105 HB2 PHE 105 1.987 1.272 23.745 662 2HB PHE 105 HB1 PHE 105 1.967 -0.325 23.005 663 HD1 PHE 105 HD1 PHE 105 1.529 -0.131 20.762 664 HD2 PHE 105 HD2 PHE 105 -0.665 2.270 23.506 665 HE1 PHE 105 HE1 PHE 105 0.174 0.746 18.905 666 HE2 PHE 105 HE2 PHE 105 -2.024 3.152 21.655 667 HZ PHE 105 HZ PHE 105 -1.607 2.390 19.350 668 H GLU 106 HN GLU 106 1.578 -2.311 25.028 669 HA GLU 106 HA GLU 106 0.187 -3.955 23.241 670 1HB GLU 106 HB2 GLU 106 1.951 -4.366 25.582 671 2HB GLU 106 HB1 GLU 106 0.911 -5.719 25.158 672 1HG GLU 106 HG2 GLU 106 2.076 -6.203 23.309 673 2HG GLU 106 HG1 GLU 106 2.316 -4.506 22.892 674 H ASN 107 HN ASN 107 -0.123 -4.170 26.782 675 HA ASN 107 HA ASN 107 -2.912 -4.997 26.413 676 1HB ASN 107 HB2 ASN 107 -2.738 -5.751 28.795 677 2HB ASN 107 HB1 ASN 107 -1.610 -6.554 27.708 Start of MODEL 13 1 1H MET 1 HT1 MET 1 7.628 -4.909 -9.664 2 2H MET 1 HT2 MET 1 6.930 -3.374 -9.337 3 3H MET 1 HT3 MET 1 6.209 -4.419 -10.492 4 HA MET 1 HA MET 1 5.964 -6.044 -8.623 5 1HB MET 1 HB2 MET 1 6.670 -3.486 -7.193 6 2HB MET 1 HB1 MET 1 5.746 -4.759 -6.410 7 1HG MET 1 HG2 MET 1 7.876 -5.255 -5.734 8 2HG MET 1 HG1 MET 1 7.716 -6.279 -7.158 9 1HE MET 1 HE1 MET 1 9.751 -6.792 -7.698 10 2HE MET 1 HE2 MET 1 11.000 -5.897 -6.833 11 3HE MET 1 HE3 MET 1 10.900 -5.795 -8.590 12 H THR 2 HN THR 2 4.121 -5.914 -10.060 13 HA THR 2 HA THR 2 2.222 -3.796 -9.836 14 HB THR 2 HB THR 2 0.729 -5.350 -11.106 15 HG1 THR 2 HG1 THR 2 1.747 -7.276 -10.173 16 H LEU 3 HN LEU 3 0.954 -3.444 -8.148 17 HA LEU 3 HA LEU 3 0.563 -5.372 -6.104 18 1HB LEU 3 HB2 LEU 3 -0.532 -3.711 -4.909 19 2HB LEU 3 HB1 LEU 3 0.661 -2.856 -5.851 20 HG LEU 3 HG LEU 3 -1.260 -1.521 -5.941 21 H ASN 4 HN ASN 4 -0.892 -6.873 -5.884 22 HA ASN 4 HA ASN 4 -3.007 -7.105 -7.858 23 1HB ASN 4 HB2 ASN 4 -2.128 -8.986 -5.671 24 2HB ASN 4 HB1 ASN 4 -3.333 -9.352 -6.899 25 H ILE 5 HN ILE 5 -5.155 -7.892 -7.136 26 HA ILE 5 HA ILE 5 -6.010 -6.730 -4.576 27 HB ILE 5 HB ILE 5 -7.644 -6.423 -7.093 28 H THR 6 HN THR 6 -7.577 -7.867 -3.504 29 HA THR 6 HA THR 6 -8.356 -10.428 -4.713 30 HB THR 6 HB THR 6 -8.694 -9.800 -1.803 31 HG1 THR 6 HG1 THR 6 -6.547 -10.554 -1.497 32 H SER 7 HN SER 7 -9.768 -8.163 -2.349 33 HA SER 7 HA SER 7 -11.906 -7.521 -1.943 34 1HB SER 7 HB2 SER 7 -13.254 -6.905 -3.937 35 2HB SER 7 HB1 SER 7 -11.616 -6.264 -3.985 36 HG SER 7 HG SER 7 -11.066 -7.775 -5.487 37 H LYS 8 HN LYS 8 -13.070 -8.959 -0.850 38 HA LYS 8 HA LYS 8 -13.740 -11.531 -1.775 39 1HB LYS 8 HB2 LYS 8 -14.819 -11.842 0.252 40 2HB LYS 8 HB1 LYS 8 -13.651 -10.589 0.643 41 1HG LYS 8 HG2 LYS 8 -15.522 -8.924 0.200 42 2HG LYS 8 HG1 LYS 8 -16.608 -10.314 0.222 43 1HD LYS 8 HD2 LYS 8 -15.312 -10.804 2.489 44 2HD LYS 8 HD1 LYS 8 -15.083 -9.055 2.438 45 1HE LYS 8 HE2 LYS 8 -17.810 -10.074 1.896 46 2HE LYS 8 HE1 LYS 8 -17.220 -10.212 3.553 47 1HZ LYS 8 HZ1 LYS 8 -18.429 -8.123 3.091 48 2HZ LYS 8 HZ2 LYS 8 -17.220 -7.686 1.991 49 3HZ LYS 8 HZ3 LYS 8 -16.846 -7.867 3.630 50 H GLN 9 HN GLN 9 -15.623 -8.517 -1.694 51 HA GLN 9 HA GLN 9 -17.686 -9.877 -3.284 52 1HB GLN 9 HB2 GLN 9 -19.033 -7.739 -2.502 53 2HB GLN 9 HB1 GLN 9 -18.898 -9.167 -1.487 54 1HG GLN 9 HG2 GLN 9 -17.483 -8.151 -0.003 55 2HG GLN 9 HG1 GLN 9 -16.861 -7.016 -1.201 56 H MET 10 HN MET 10 -17.387 -6.380 -2.942 57 HA MET 10 HA MET 10 -17.876 -5.754 -5.547 58 1HB MET 10 HB2 MET 10 -16.597 -3.613 -5.108 59 2HB MET 10 HB1 MET 10 -17.904 -3.992 -4.000 60 1HG MET 10 HG2 MET 10 -16.518 -4.302 -2.243 61 2HG MET 10 HG1 MET 10 -15.204 -4.918 -3.243 62 1HE MET 10 HE1 MET 10 -14.246 -3.221 -1.021 63 2HE MET 10 HE2 MET 10 -15.800 -2.415 -0.822 64 3HE MET 10 HE3 MET 10 -14.351 -1.465 -1.150 65 H ASP 11 HN ASP 11 -16.902 -6.557 -7.289 66 HA ASP 11 HA ASP 11 -14.296 -7.536 -7.405 67 1HB ASP 11 HB2 ASP 11 -15.836 -6.440 -9.759 68 2HB ASP 11 HB1 ASP 11 -14.591 -7.685 -9.781 69 H ILE 12 HN ILE 12 -12.978 -6.504 -9.533 70 HA ILE 12 HA ILE 12 -12.199 -3.853 -8.532 71 HB ILE 12 HB ILE 12 -10.325 -4.854 -10.461 72 H THR 13 HN THR 13 -12.077 -2.113 -9.834 73 HA THR 13 HA THR 13 -12.669 -2.406 -12.677 74 HB THR 13 HB THR 13 -14.575 -1.150 -12.682 75 HG1 THR 13 HG1 THR 13 -14.934 0.574 -11.397 76 HA PRO 14 HA PRO 14 -9.997 0.967 -13.700 77 1HB PRO 14 HB2 PRO 14 -12.278 2.898 -13.724 78 2HB PRO 14 HB1 PRO 14 -10.978 2.685 -14.905 79 1HG PRO 14 HG2 PRO 14 -13.399 1.710 -15.397 80 2HG PRO 14 HG1 PRO 14 -11.950 0.780 -15.825 81 1HD PRO 14 HD2 PRO 14 -13.875 0.374 -13.592 82 2HD PRO 14 HD1 PRO 14 -12.937 -0.824 -14.508 83 H ALA 15 HN ALA 15 -12.556 2.320 -11.597 84 HA ALA 15 HA ALA 15 -11.048 4.255 -10.322 85 1HB ALA 15 HB1 ALA 15 -13.618 3.212 -10.054 86 2HB ALA 15 HB2 ALA 15 -12.947 4.611 -9.216 87 3HB ALA 15 HB3 ALA 15 -12.882 3.018 -8.464 88 H ILE 16 HN ILE 16 -11.962 1.262 -8.623 89 HA ILE 16 HA ILE 16 -10.079 1.346 -6.621 90 HB ILE 16 HB ILE 16 -11.435 -0.955 -7.993 91 H ARG 17 HN ARG 17 -9.723 -0.693 -9.545 92 HA ARG 17 HA ARG 17 -7.154 -1.529 -9.292 93 1HB ARG 17 HB2 ARG 17 -8.779 -1.978 -11.199 94 2HB ARG 17 HB1 ARG 17 -8.212 -0.477 -11.917 95 1HG ARG 17 HG2 ARG 17 -6.037 -1.325 -12.227 96 2HG ARG 17 HG1 ARG 17 -6.344 -2.705 -11.172 97 1HD ARG 17 HD2 ARG 17 -7.905 -3.628 -12.770 98 2HD ARG 17 HD1 ARG 17 -7.733 -2.207 -13.801 99 HE ARG 17 HE ARG 17 -5.250 -3.554 -13.299 100 1HH1 ARG 17 HH11 ARG 17 -8.100 -3.500 -15.312 101 2HH1 ARG 17 HH12 ARG 17 -7.325 -4.288 -16.646 102 1HH2 ARG 17 HH21 ARG 17 -4.230 -4.591 -15.050 103 2HH2 ARG 17 HH22 ARG 17 -5.128 -4.907 -16.496 104 H GLU 18 HN GLU 18 -8.016 1.438 -11.097 105 HA GLU 18 HA GLU 18 -5.419 2.405 -11.406 106 1HB GLU 18 HB2 GLU 18 -7.410 3.252 -12.627 107 2HB GLU 18 HB1 GLU 18 -7.958 4.032 -11.149 108 1HG GLU 18 HG2 GLU 18 -5.370 4.948 -11.456 109 2HG GLU 18 HG1 GLU 18 -6.003 4.904 -13.101 110 H HIS 19 HN HIS 19 -7.726 2.826 -8.774 111 HA HIS 19 HA HIS 19 -6.328 4.792 -7.328 112 1HB HIS 19 HB2 HIS 19 -8.736 3.869 -7.036 113 2HB HIS 19 HB1 HIS 19 -7.983 2.624 -6.052 114 HD1 HIS 19 HD1 HIS 19 -6.830 6.202 -5.909 115 HD2 HIS 19 HD2 HIS 19 -9.118 3.495 -3.771 116 HE1 HIS 19 HE1 HIS 19 -7.279 7.319 -3.696 117 HE2 HIS 19 HE2 HIS 19 -8.753 5.697 -2.447 118 H LEU 20 HN LEU 20 -6.655 1.365 -6.478 119 HA LEU 20 HA LEU 20 -4.642 1.101 -4.648 120 1HB LEU 20 HB2 LEU 20 -5.033 -1.033 -6.701 121 2HB LEU 20 HB1 LEU 20 -4.746 -1.189 -4.976 122 HG LEU 20 HG LEU 20 -7.312 -0.242 -6.242 123 H GLU 21 HN GLU 21 -4.330 0.673 -8.172 124 HA GLU 21 HA GLU 21 -1.592 0.136 -8.245 125 1HB GLU 21 HB2 GLU 21 -3.398 1.485 -10.254 126 2HB GLU 21 HB1 GLU 21 -1.720 1.086 -10.593 127 1HG GLU 21 HG2 GLU 21 -2.219 -1.283 -10.168 128 2HG GLU 21 HG1 GLU 21 -3.906 -0.862 -9.899 129 H GLU 22 HN GLU 22 -3.235 3.256 -8.790 130 HA GLU 22 HA GLU 22 -0.981 4.871 -8.901 131 1HB GLU 22 HB2 GLU 22 -3.804 5.369 -8.000 132 2HB GLU 22 HB1 GLU 22 -2.596 6.640 -7.873 133 1HG GLU 22 HG2 GLU 22 -2.335 5.649 -10.464 134 2HG GLU 22 HG1 GLU 22 -4.071 5.728 -10.168 135 H ARG 23 HN ARG 23 -2.697 3.558 -6.133 136 HA ARG 23 HA ARG 23 -1.417 5.060 -4.116 137 1HB ARG 23 HB2 ARG 23 -3.435 3.239 -4.087 138 2HB ARG 23 HB1 ARG 23 -2.115 2.267 -3.449 139 1HG ARG 23 HG2 ARG 23 -2.977 4.933 -2.353 140 2HG ARG 23 HG1 ARG 23 -3.450 3.365 -1.703 141 1HD ARG 23 HD2 ARG 23 -0.582 3.560 -2.022 142 2HD ARG 23 HD1 ARG 23 -1.209 4.857 -1.012 143 HE ARG 23 HE ARG 23 -1.846 3.295 0.578 144 1HH1 ARG 23 HH11 ARG 23 -0.621 1.696 -2.275 145 2HH1 ARG 23 HH12 ARG 23 -0.462 0.160 -1.494 146 1HH2 ARG 23 HH21 ARG 23 -1.640 1.274 1.601 147 2HH2 ARG 23 HH22 ARG 23 -1.043 -0.081 0.702 148 H LEU 24 HN LEU 24 -0.747 1.777 -5.351 149 HA LEU 24 HA LEU 24 1.584 1.330 -3.873 150 1HB LEU 24 HB2 LEU 24 0.282 -0.331 -5.305 151 2HB LEU 24 HB1 LEU 24 1.141 0.332 -6.682 152 HG LEU 24 HG LEU 24 3.246 -0.235 -5.129 153 H ALA 25 HN ALA 25 1.148 2.690 -7.125 154 HA ALA 25 HA ALA 25 3.837 3.175 -7.716 155 1HB ALA 25 HB1 ALA 25 1.310 4.550 -8.600 156 2HB ALA 25 HB2 ALA 25 2.284 3.376 -9.485 157 3HB ALA 25 HB3 ALA 25 2.901 5.005 -9.210 158 H LYS 26 HN LYS 26 1.531 4.896 -5.746 159 HA LYS 26 HA LYS 26 3.116 7.262 -5.433 160 1HB LYS 26 HB2 LYS 26 0.582 7.054 -5.130 161 2HB LYS 26 HB1 LYS 26 0.938 6.324 -3.571 162 1HG LYS 26 HG2 LYS 26 0.886 8.390 -2.756 163 2HG LYS 26 HG1 LYS 26 2.450 8.621 -3.538 164 1HD LYS 26 HD2 LYS 26 1.435 9.595 -5.461 165 2HD LYS 26 HD1 LYS 26 -0.179 9.132 -4.918 166 1HE LYS 26 HE2 LYS 26 1.309 10.776 -3.004 167 2HE LYS 26 HE1 LYS 26 0.973 11.580 -4.538 168 1HZ LYS 26 HZ1 LYS 26 -0.939 10.505 -2.565 169 2HZ LYS 26 HZ2 LYS 26 -1.401 10.744 -4.173 170 3HZ LYS 26 HZ3 LYS 26 -0.872 12.053 -3.243 171 H LEU 27 HN LEU 27 2.576 4.289 -3.600 172 HA LEU 27 HA LEU 27 4.242 5.082 -1.413 173 1HB LEU 27 HB2 LEU 27 2.691 2.693 -2.162 174 2HB LEU 27 HB1 LEU 27 4.140 2.354 -1.236 175 HG LEU 27 HG LEU 27 1.792 4.053 -0.408 176 H GLY 28 HN GLY 28 4.907 4.126 -4.559 177 1HA GLY 28 HA2 GLY 28 7.194 2.512 -4.232 178 2HA GLY 28 HA1 GLY 28 6.844 3.514 -5.632 179 H LYS 29 HN LYS 29 6.719 5.977 -4.107 180 HA LYS 29 HA LYS 29 9.427 6.756 -4.254 181 1HB LYS 29 HB2 LYS 29 7.687 8.382 -4.611 182 2HB LYS 29 HB1 LYS 29 7.009 8.084 -3.018 183 1HG LYS 29 HG2 LYS 29 9.373 8.876 -2.204 184 2HG LYS 29 HG1 LYS 29 9.425 9.637 -3.793 185 1HD LYS 29 HD2 LYS 29 8.313 11.337 -2.862 186 2HD LYS 29 HD1 LYS 29 6.905 10.274 -2.861 187 1HE LYS 29 HE2 LYS 29 6.863 10.489 -0.644 188 2HE LYS 29 HE1 LYS 29 8.346 9.537 -0.596 189 1HZ LYS 29 HZ1 LYS 29 9.369 11.911 -1.105 190 2HZ LYS 29 HZ2 LYS 29 9.070 11.378 0.472 191 3HZ LYS 29 HZ3 LYS 29 7.972 12.413 -0.292 192 H TRP 30 HN TRP 30 7.453 5.499 -1.697 193 HA TRP 30 HA TRP 30 9.054 6.322 0.486 194 1HB TRP 30 HB2 TRP 30 6.913 4.256 0.110 195 2HB TRP 30 HB1 TRP 30 7.810 4.367 1.619 196 HD1 TRP 30 HD1 TRP 30 5.383 6.443 -0.546 197 HE1 TRP 30 HE1 TRP 30 4.255 8.185 0.982 198 HE3 TRP 30 HE3 TRP 30 8.029 5.591 3.715 199 HZ2 TRP 30 HZ2 TRP 30 4.476 9.076 3.666 200 HZ3 TRP 30 HZ3 TRP 30 7.530 6.928 5.712 201 HH2 TRP 30 HH2 TRP 30 5.788 8.635 5.690 202 H GLN 31 HN GLN 31 11.186 5.806 0.269 203 HA GLN 31 HA GLN 31 12.588 3.881 -0.827 204 1HB GLN 31 HB2 GLN 31 13.914 3.743 1.492 205 2HB GLN 31 HB1 GLN 31 14.017 5.119 0.411 206 1HG GLN 31 HG2 GLN 31 11.844 5.706 2.026 207 2HG GLN 31 HG1 GLN 31 12.997 4.942 3.115 208 H THR 32 HN THR 32 11.065 2.113 -1.064 209 HA THR 32 HA THR 32 11.650 -0.026 0.754 210 HB THR 32 HB THR 32 8.892 1.171 0.505 211 HG1 THR 32 HG1 THR 32 10.579 0.459 2.659 212 H GLN 33 HN GLN 33 10.684 -2.084 -0.066 213 HA GLN 33 HA GLN 33 10.147 -2.006 -2.948 214 1HB GLN 33 HB2 GLN 33 11.361 -4.320 -2.907 215 2HB GLN 33 HB1 GLN 33 12.294 -2.838 -3.039 216 1HG GLN 33 HG2 GLN 33 11.771 -4.018 -0.354 217 2HG GLN 33 HG1 GLN 33 13.021 -4.709 -1.388 218 H LEU 34 HN LEU 34 8.016 -2.266 -2.675 219 HA LEU 34 HA LEU 34 6.703 -3.823 -0.857 220 1HB LEU 34 HB2 LEU 34 5.737 -3.414 -3.677 221 2HB LEU 34 HB1 LEU 34 4.770 -3.638 -2.237 222 HG LEU 34 HG LEU 34 4.525 -1.398 -2.393 223 H ILE 35 HN ILE 35 7.590 -5.817 -0.518 224 HA ILE 35 HA ILE 35 8.135 -7.702 -2.563 225 HB ILE 35 HB ILE 35 7.708 -8.035 0.404 226 H SER 36 HN SER 36 6.364 -7.972 -3.889 227 HA SER 36 HA SER 36 4.328 -8.721 -4.603 228 1HB SER 36 HB2 SER 36 5.472 -10.701 -3.062 229 2HB SER 36 HB1 SER 36 3.878 -10.530 -2.326 230 HG SER 36 HG SER 36 3.010 -10.768 -4.477 231 HA PRO 37 HA PRO 37 1.779 -6.250 -1.788 232 1HB PRO 37 HB2 PRO 37 1.018 -4.462 -3.711 233 2HB PRO 37 HB1 PRO 37 2.497 -4.325 -2.760 234 1HG PRO 37 HG2 PRO 37 2.205 -4.922 -5.581 235 2HG PRO 37 HG1 PRO 37 3.669 -4.566 -4.675 236 1HD PRO 37 HD2 PRO 37 2.582 -7.136 -5.528 237 2HD PRO 37 HD1 PRO 37 4.200 -6.742 -4.929 238 H HIS 38 HN HIS 38 -0.340 -6.373 -1.396 239 HA HIS 38 HA HIS 38 -2.186 -7.203 -3.522 240 1HB HIS 38 HB2 HIS 38 -1.515 -8.659 -1.096 241 2HB HIS 38 HB1 HIS 38 -3.229 -8.327 -1.213 242 HD1 HIS 38 HD1 HIS 38 -0.925 -10.837 -2.034 243 HD2 HIS 38 HD2 HIS 38 -4.143 -9.126 -4.020 244 HE1 HIS 38 HE1 HIS 38 -1.642 -12.538 -3.743 245 HE2 HIS 38 HE2 HIS 38 -3.513 -11.430 -5.015 246 H PHE 39 HN PHE 39 -4.491 -6.971 -2.687 247 HA PHE 39 HA PHE 39 -4.855 -4.944 -0.680 248 1HB PHE 39 HB2 PHE 39 -4.745 -4.232 -3.463 249 2HB PHE 39 HB1 PHE 39 -6.338 -3.917 -2.797 250 HD1 PHE 39 HD1 PHE 39 -2.750 -3.201 -2.310 251 HD2 PHE 39 HD2 PHE 39 -6.758 -2.112 -1.383 252 HE1 PHE 39 HE1 PHE 39 -1.940 -1.134 -1.244 253 HE2 PHE 39 HE2 PHE 39 -5.957 -0.043 -0.323 254 HZ PHE 39 HZ PHE 39 -3.548 0.447 -0.251 255 H VAL 40 HN VAL 40 -6.274 -6.040 0.519 256 HA VAL 40 HA VAL 40 -8.496 -7.396 -0.798 257 HB VAL 40 HB VAL 40 -7.480 -7.490 2.044 258 H LEU 41 HN LEU 41 -9.857 -5.715 -1.335 259 HA LEU 41 HA LEU 41 -10.750 -3.926 0.810 260 1HB LEU 41 HB2 LEU 41 -11.727 -2.574 -0.984 261 2HB LEU 41 HB1 LEU 41 -10.005 -2.814 -1.203 262 HG LEU 41 HG LEU 41 -11.769 -4.737 -2.599 263 H ASN 42 HN ASN 42 -12.944 -3.580 1.237 264 HA ASN 42 HA ASN 42 -14.907 -5.277 -0.044 265 1HB ASN 42 HB2 ASN 42 -14.439 -5.479 2.930 266 2HB ASN 42 HB1 ASN 42 -15.703 -6.295 2.019 267 H LYS 43 HN LYS 43 -17.085 -4.814 0.661 268 HA LYS 43 HA LYS 43 -17.389 -2.044 1.660 269 1HB LYS 43 HB2 LYS 43 -18.275 -1.634 -0.372 270 2HB LYS 43 HB1 LYS 43 -18.335 -3.339 -0.787 271 1HG LYS 43 HG2 LYS 43 -20.455 -3.588 0.335 272 2HG LYS 43 HG1 LYS 43 -20.381 -1.928 0.925 273 1HD LYS 43 HD2 LYS 43 -20.271 -1.238 -1.534 274 2HD LYS 43 HD1 LYS 43 -20.758 -2.896 -1.899 275 1HE LYS 43 HE2 LYS 43 -22.648 -2.392 -0.155 276 2HE LYS 43 HE1 LYS 43 -22.287 -0.714 -0.555 277 1HZ LYS 43 HZ1 LYS 43 -23.166 -0.921 -2.600 278 2HZ LYS 43 HZ2 LYS 43 -24.021 -2.205 -1.906 279 3HZ LYS 43 HZ3 LYS 43 -22.625 -2.510 -2.812 280 H VAL 44 HN VAL 44 -19.433 -1.622 2.765 281 HA VAL 44 HA VAL 44 -21.153 -3.768 3.444 282 HB VAL 44 HB VAL 44 -20.404 -4.534 5.358 283 HA PRO 45 HA PRO 45 -24.214 -0.677 3.852 284 1HB PRO 45 HB2 PRO 45 -24.847 -2.041 6.439 285 2HB PRO 45 HB1 PRO 45 -25.937 -1.526 5.146 286 1HG PRO 45 HG2 PRO 45 -25.224 -4.082 5.387 287 2HG PRO 45 HG1 PRO 45 -25.401 -3.327 3.792 288 1HD PRO 45 HD2 PRO 45 -22.939 -4.112 5.250 289 2HD PRO 45 HD1 PRO 45 -23.230 -3.992 3.504 290 H ASN 46 HN ASN 46 -22.704 -1.467 6.975 291 HA ASN 46 HA ASN 46 -23.022 1.226 7.930 292 1HB ASN 46 HB2 ASN 46 -22.852 -1.168 9.188 293 2HB ASN 46 HB1 ASN 46 -21.199 -0.590 9.380 294 H GLY 47 HN GLY 47 -21.166 0.506 5.542 295 1HA GLY 47 HA2 GLY 47 -19.475 2.367 5.223 296 2HA GLY 47 HA1 GLY 47 -18.713 1.684 6.650 297 H PHE 48 HN PHE 48 -17.307 1.973 4.380 298 HA PHE 48 HA PHE 48 -17.192 -0.610 3.027 299 1HB PHE 48 HB2 PHE 48 -15.921 2.063 2.543 300 2HB PHE 48 HB1 PHE 48 -15.279 0.640 1.785 301 HD1 PHE 48 HD1 PHE 48 -16.217 -0.236 -0.123 302 HD2 PHE 48 HD2 PHE 48 -18.301 2.749 2.055 303 HE1 PHE 48 HE1 PHE 48 -17.781 0.015 -1.999 304 HE2 PHE 48 HE2 PHE 48 -19.882 3.014 0.186 305 HZ PHE 48 HZ PHE 48 -19.609 1.639 -1.849 306 H SER 49 HN SER 49 -15.844 -2.145 3.770 307 HA SER 49 HA SER 49 -13.665 -1.323 5.542 308 1HB SER 49 HB2 SER 49 -13.843 -4.160 5.366 309 2HB SER 49 HB1 SER 49 -14.146 -3.124 6.751 310 HG SER 49 HG SER 49 -16.283 -2.980 6.172 311 H VAL 50 HN VAL 50 -11.725 -1.247 4.797 312 HA VAL 50 HA VAL 50 -10.974 -2.921 2.493 313 HB VAL 50 HB VAL 50 -9.717 -0.231 2.777 314 H GLU 51 HN GLU 51 -9.201 -4.108 2.821 315 HA GLU 51 HA GLU 51 -7.291 -3.228 4.867 316 1HB GLU 51 HB2 GLU 51 -6.911 -5.833 5.044 317 2HB GLU 51 HB1 GLU 51 -8.159 -5.032 5.984 318 1HG GLU 51 HG2 GLU 51 -9.750 -5.630 4.113 319 2HG GLU 51 HG1 GLU 51 -8.465 -6.667 3.490 320 H ALA 52 HN ALA 52 -5.392 -2.809 4.025 321 HA ALA 52 HA ALA 52 -4.660 -3.966 1.447 322 1HB ALA 52 HB1 ALA 52 -2.895 -2.284 1.406 323 2HB ALA 52 HB2 ALA 52 -3.326 -1.781 3.041 324 3HB ALA 52 HB3 ALA 52 -4.465 -1.544 1.716 325 H SER 53 HN SER 53 -2.793 -5.158 1.108 326 HA SER 53 HA SER 53 -1.198 -5.874 3.447 327 1HB SER 53 HB2 SER 53 -1.540 -8.169 3.275 328 2HB SER 53 HB1 SER 53 -3.151 -7.530 2.933 329 HG SER 53 HG SER 53 -3.024 -8.416 1.043 330 H ILE 54 HN ILE 54 0.781 -5.313 2.897 331 HA ILE 54 HA ILE 54 1.814 -6.155 0.271 332 HB ILE 54 HB ILE 54 2.797 -3.648 1.607 333 H GLY 55 HN GLY 55 4.309 -6.134 0.298 334 1HA GLY 55 HA2 GLY 55 5.224 -7.137 2.903 335 2HA GLY 55 HA1 GLY 55 5.703 -7.857 1.385 336 H THR 56 HN THR 56 7.342 -6.797 3.461 337 HA THR 56 HA THR 56 8.958 -5.026 1.835 338 HB THR 56 HB THR 56 8.879 -3.176 3.098 339 HG1 THR 56 HG1 THR 56 8.385 -4.204 5.594 340 HA PRO 57 HA PRO 57 12.214 -7.612 3.407 341 1HB PRO 57 HB2 PRO 57 13.905 -5.188 3.436 342 2HB PRO 57 HB1 PRO 57 14.155 -6.721 2.602 343 1HG PRO 57 HG2 PRO 57 13.430 -4.455 1.325 344 2HG PRO 57 HG1 PRO 57 12.966 -6.067 0.763 345 1HD PRO 57 HD2 PRO 57 11.336 -3.974 2.078 346 2HD PRO 57 HD1 PRO 57 10.854 -5.266 0.962 347 H LEU 58 HN LEU 58 11.153 -4.655 4.876 348 HA LEU 58 HA LEU 58 12.642 -5.181 7.328 349 1HB LEU 58 HB2 LEU 58 10.730 -2.927 7.178 350 2HB LEU 58 HB1 LEU 58 12.330 -2.996 7.890 351 HG LEU 58 HG LEU 58 11.712 -2.737 4.944 352 H GLY 59 HN GLY 59 9.520 -5.654 5.989 353 1HA GLY 59 HA2 GLY 59 8.495 -7.363 7.774 354 2HA GLY 59 HA1 GLY 59 8.171 -5.831 8.552 355 H ASN 60 HN ASN 60 6.614 -8.085 7.052 356 HA ASN 60 HA ASN 60 5.368 -7.122 4.801 357 1HB ASN 60 HB2 ASN 60 4.103 -8.730 7.026 358 2HB ASN 60 HB1 ASN 60 3.498 -8.595 5.380 359 H LEU 61 HN LEU 61 3.963 -5.551 4.348 360 HA LEU 61 HA LEU 61 2.974 -3.890 6.527 361 1HB LEU 61 HB2 LEU 61 3.110 -3.565 3.542 362 2HB LEU 61 HB1 LEU 61 2.096 -2.516 4.509 363 HG LEU 61 HG LEU 61 4.939 -2.741 5.329 364 H LEU 62 HN LEU 62 0.860 -3.675 7.076 365 HA LEU 62 HA LEU 62 -1.214 -4.780 5.391 366 1HB LEU 62 HB2 LEU 62 -1.051 -5.720 8.238 367 2HB LEU 62 HB1 LEU 62 -2.113 -6.294 6.971 368 HG LEU 62 HG LEU 62 0.874 -6.677 6.871 369 H ALA 63 HN ALA 63 -3.284 -4.058 5.953 370 HA ALA 63 HA ALA 63 -3.697 -2.327 8.205 371 1HB ALA 63 HB1 ALA 63 -4.277 -0.331 6.798 372 2HB ALA 63 HB2 ALA 63 -3.499 -1.147 5.442 373 3HB ALA 63 HB3 ALA 63 -2.558 -0.721 6.871 374 H SER 64 HN SER 64 -5.904 -1.412 8.226 375 HA SER 64 HA SER 64 -7.854 -2.361 6.379 376 1HB SER 64 HB2 SER 64 -8.927 -4.038 7.585 377 2HB SER 64 HB1 SER 64 -7.228 -4.382 7.905 378 HG SER 64 HG SER 64 -8.455 -4.404 9.824 379 H ALA 65 HN ALA 65 -9.657 -1.129 6.471 380 HA ALA 65 HA ALA 65 -10.346 0.264 8.926 381 1HB ALA 65 HB1 ALA 65 -8.639 1.566 7.310 382 2HB ALA 65 HB2 ALA 65 -9.834 2.375 8.321 383 3HB ALA 65 HB3 ALA 65 -10.174 2.085 6.616 384 H THR 66 HN THR 66 -12.457 0.947 9.027 385 HA THR 66 HA THR 66 -14.171 0.251 6.727 386 HB THR 66 HB THR 66 -14.884 0.079 9.661 387 HG1 THR 66 HG1 THR 66 -13.993 -1.797 9.584 388 H SER 67 HN SER 67 -14.743 2.144 5.814 389 HA SER 67 HA SER 67 -15.981 4.142 7.567 390 1HB SER 67 HB2 SER 67 -13.524 4.499 6.064 391 2HB SER 67 HB1 SER 67 -14.751 5.661 5.571 392 HG SER 67 HG SER 67 -13.765 5.200 8.188 393 H ASP 68 HN ASP 68 -17.509 5.509 6.533 394 HA ASP 68 HA ASP 68 -19.019 4.185 4.514 395 1HB ASP 68 HB2 ASP 68 -19.647 5.974 6.449 396 2HB ASP 68 HB1 ASP 68 -19.590 7.039 5.048 397 H ASP 69 HN ASP 69 -16.236 5.937 4.254 398 HA ASP 69 HA ASP 69 -16.966 6.969 1.599 399 1HB ASP 69 HB2 ASP 69 -15.195 7.989 3.754 400 2HB ASP 69 HB1 ASP 69 -14.664 8.247 2.093 401 H MET 70 HN MET 70 -16.452 5.441 0.201 402 HA MET 70 HA MET 70 -14.773 3.370 0.215 403 1HB MET 70 HB2 MET 70 -15.990 5.039 -1.800 404 2HB MET 70 HB1 MET 70 -14.448 4.414 -2.362 405 1HG MET 70 HG2 MET 70 -15.850 2.294 -1.116 406 2HG MET 70 HG1 MET 70 -16.957 3.106 -2.218 407 1HE MET 70 HE1 MET 70 -12.837 1.792 -2.890 408 2HE MET 70 HE2 MET 70 -13.726 0.267 -2.803 409 3HE MET 70 HE3 MET 70 -13.856 1.437 -1.486 410 H TYR 71 HN TYR 71 -13.699 6.326 -1.452 411 HA TYR 71 HA TYR 71 -11.008 5.508 -1.468 412 1HB TYR 71 HB2 TYR 71 -12.472 7.946 -2.279 413 2HB TYR 71 HB1 TYR 71 -10.735 8.107 -2.003 414 HD1 TYR 71 HD1 TYR 71 -11.911 4.858 -3.033 415 HD2 TYR 71 HD2 TYR 71 -10.536 8.620 -4.470 416 HE1 TYR 71 HE1 TYR 71 -11.451 3.835 -5.199 417 HE2 TYR 71 HE2 TYR 71 -10.083 7.610 -6.668 418 HH TYR 71 HH TYR 71 -11.010 5.547 -7.975 419 H LYS 72 HN LYS 72 -12.849 7.195 0.921 420 HA LYS 72 HA LYS 72 -10.576 8.304 2.273 421 1HB LYS 72 HB2 LYS 72 -12.927 9.114 2.544 422 2HB LYS 72 HB1 LYS 72 -13.222 7.649 3.452 423 1HG LYS 72 HG2 LYS 72 -11.169 8.468 4.852 424 2HG LYS 72 HG1 LYS 72 -11.639 10.037 4.196 425 1HD LYS 72 HD2 LYS 72 -13.775 8.335 5.358 426 2HD LYS 72 HD1 LYS 72 -12.636 9.091 6.473 427 1HE LYS 72 HE2 LYS 72 -13.938 10.715 4.328 428 2HE LYS 72 HE1 LYS 72 -14.821 10.339 5.807 429 1HZ LYS 72 HZ1 LYS 72 -12.123 11.367 6.150 430 2HZ LYS 72 HZ2 LYS 72 -13.528 11.698 7.031 431 3HZ LYS 72 HZ3 LYS 72 -13.262 12.465 5.547 432 H ALA 73 HN ALA 73 -12.462 5.346 2.368 433 HA ALA 73 HA ALA 73 -11.317 4.190 4.680 434 1HB ALA 73 HB1 ALA 73 -12.130 2.456 2.397 435 2HB ALA 73 HB2 ALA 73 -13.373 3.454 3.151 436 3HB ALA 73 HB3 ALA 73 -12.476 2.282 4.117 437 H ILE 74 HN ILE 74 -10.672 3.939 1.226 438 HA ILE 74 HA ILE 74 -8.309 2.393 1.384 439 HB ILE 74 HB ILE 74 -9.512 4.234 -0.666 440 H ASN 75 HN ASN 75 -9.115 5.764 1.595 441 HA ASN 75 HA ASN 75 -6.596 6.962 1.584 442 1HB ASN 75 HB2 ASN 75 -9.127 7.821 1.623 443 2HB ASN 75 HB1 ASN 75 -8.784 8.036 3.330 444 H GLU 76 HN GLU 76 -8.564 5.541 4.127 445 HA GLU 76 HA GLU 76 -6.850 6.182 6.297 446 1HB GLU 76 HB2 GLU 76 -9.372 4.975 5.944 447 2HB GLU 76 HB1 GLU 76 -8.372 3.768 6.744 448 1HG GLU 76 HG2 GLU 76 -8.958 4.791 8.630 449 2HG GLU 76 HG1 GLU 76 -7.788 6.026 8.165 450 H VAL 77 HN VAL 77 -7.390 3.138 4.499 451 HA VAL 77 HA VAL 77 -5.484 1.548 5.704 452 HB VAL 77 HB VAL 77 -5.871 1.481 2.724 453 H GLU 78 HN GLU 78 -5.094 3.689 2.901 454 HA GLU 78 HA GLU 78 -2.392 3.227 2.453 455 1HB GLU 78 HB2 GLU 78 -3.722 4.442 0.836 456 2HB GLU 78 HB1 GLU 78 -4.037 5.723 1.998 457 1HG GLU 78 HG2 GLU 78 -1.232 5.089 1.192 458 2HG GLU 78 HG1 GLU 78 -2.262 6.067 0.146 459 H GLU 79 HN GLU 79 -4.028 5.271 4.761 460 HA GLU 79 HA GLU 79 -1.732 6.708 5.620 461 1HB GLU 79 HB2 GLU 79 -4.535 6.537 6.342 462 2HB GLU 79 HB1 GLU 79 -3.522 6.588 7.779 463 1HG GLU 79 HG2 GLU 79 -3.361 8.568 5.520 464 2HG GLU 79 HG1 GLU 79 -4.296 8.808 6.995 465 H LYS 80 HN LYS 80 -3.394 3.789 6.766 466 HA LYS 80 HA LYS 80 -1.649 3.354 8.971 467 1HB LYS 80 HB2 LYS 80 -3.974 2.146 7.931 468 2HB LYS 80 HB1 LYS 80 -2.747 0.892 7.940 469 1HG LYS 80 HG2 LYS 80 -3.264 0.568 10.072 470 2HG LYS 80 HG1 LYS 80 -2.455 2.100 10.406 471 1HD LYS 80 HD2 LYS 80 -4.408 3.227 10.682 472 2HD LYS 80 HD1 LYS 80 -5.265 2.250 9.486 473 1HE LYS 80 HE2 LYS 80 -4.857 0.383 11.357 474 2HE LYS 80 HE1 LYS 80 -4.889 1.812 12.389 475 1HZ LYS 80 HZ1 LYS 80 -7.031 2.362 11.123 476 2HZ LYS 80 HZ2 LYS 80 -7.091 1.150 12.300 477 3HZ LYS 80 HZ3 LYS 80 -7.024 0.734 10.662 478 H LEU 81 HN LEU 81 -1.789 2.088 5.670 479 HA LEU 81 HA LEU 81 0.422 0.367 5.834 480 1HB LEU 81 HB2 LEU 81 -1.390 1.247 3.834 481 2HB LEU 81 HB1 LEU 81 0.223 1.510 3.203 482 HG LEU 81 HG LEU 81 -0.980 -0.722 2.712 483 H GLU 82 HN GLU 82 0.183 3.796 4.895 484 HA GLU 82 HA GLU 82 2.945 4.084 4.287 485 1HB GLU 82 HB2 GLU 82 1.042 5.602 3.575 486 2HB GLU 82 HB1 GLU 82 1.090 6.280 5.193 487 1HG GLU 82 HG2 GLU 82 2.855 7.541 4.723 488 2HG GLU 82 HG1 GLU 82 3.705 6.207 3.943 489 H ARG 83 HN ARG 83 1.023 5.122 7.109 490 HA ARG 83 HA ARG 83 3.060 6.084 8.705 491 1HB ARG 83 HB2 ARG 83 0.483 5.916 9.132 492 2HB ARG 83 HB1 ARG 83 0.892 4.396 9.916 493 1HG ARG 83 HG2 ARG 83 2.071 5.435 11.611 494 2HG ARG 83 HG1 ARG 83 2.320 6.908 10.671 495 1HD ARG 83 HD2 ARG 83 -0.453 6.620 10.891 496 2HD ARG 83 HD1 ARG 83 0.187 6.226 12.486 497 HE ARG 83 HE ARG 83 0.767 8.423 12.760 498 1HH1 ARG 83 HH11 ARG 83 0.087 7.850 9.385 499 2HH1 ARG 83 HH12 ARG 83 0.161 9.525 8.957 500 1HH2 ARG 83 HH21 ARG 83 0.865 10.628 12.199 501 2HH2 ARG 83 HH22 ARG 83 0.604 11.103 10.554 502 H GLN 84 HN GLN 84 1.890 2.752 8.392 503 HA GLN 84 HA GLN 84 3.689 1.571 10.200 504 1HB GLN 84 HB2 GLN 84 2.231 0.498 7.789 505 2HB GLN 84 HB1 GLN 84 3.273 -0.516 8.778 506 1HG GLN 84 HG2 GLN 84 1.888 -0.233 10.674 507 2HG GLN 84 HG1 GLN 84 0.957 1.034 9.880 508 H LEU 85 HN LEU 85 3.861 2.181 6.707 509 HA LEU 85 HA LEU 85 6.290 1.010 6.084 510 1HB LEU 85 HB2 LEU 85 4.577 3.041 4.961 511 2HB LEU 85 HB1 LEU 85 6.252 3.519 4.778 512 HG LEU 85 HG LEU 85 5.539 0.749 3.973 513 H ASN 86 HN ASN 86 5.640 4.270 7.314 514 HA ASN 86 HA ASN 86 8.303 5.111 7.563 515 1HB ASN 86 HB2 ASN 86 5.907 6.330 7.905 516 2HB ASN 86 HB1 ASN 86 6.367 6.085 9.590 517 H LYS 87 HN LYS 87 6.155 3.370 9.765 518 HA LYS 87 HA LYS 87 7.811 3.356 12.032 519 1HB LYS 87 HB2 LYS 87 5.388 2.125 11.245 520 2HB LYS 87 HB1 LYS 87 6.469 0.820 11.725 521 1HG LYS 87 HG2 LYS 87 6.885 2.406 13.797 522 2HG LYS 87 HG1 LYS 87 5.287 3.008 13.348 523 1HD LYS 87 HD2 LYS 87 4.424 0.699 13.436 524 2HD LYS 87 HD1 LYS 87 6.016 0.143 13.955 525 1HE LYS 87 HE2 LYS 87 4.906 2.351 15.539 526 2HE LYS 87 HE1 LYS 87 3.992 0.847 15.632 527 1HZ LYS 87 HZ1 LYS 87 5.488 0.409 17.239 528 2HZ LYS 87 HZ2 LYS 87 6.655 1.464 16.621 529 3HZ LYS 87 HZ3 LYS 87 6.461 -0.073 15.942 530 H LEU 88 HN LEU 88 7.538 1.029 9.353 531 HA LEU 88 HA LEU 88 9.514 -0.744 10.192 532 1HB LEU 88 HB2 LEU 88 8.960 -0.008 7.317 533 2HB LEU 88 HB1 LEU 88 9.622 -1.517 7.914 534 HG LEU 88 HG LEU 88 6.797 -0.532 8.284 535 H GLN 89 HN GLN 89 9.742 1.919 7.879 536 HA GLN 89 HA GLN 89 12.518 1.857 7.515 537 1HB GLN 89 HB2 GLN 89 10.641 4.225 7.353 538 2HB GLN 89 HB1 GLN 89 12.280 4.189 6.718 539 1HG GLN 89 HG2 GLN 89 11.471 2.169 5.343 540 2HG GLN 89 HG1 GLN 89 9.854 2.740 5.741 541 H HIS 90 HN HIS 90 10.561 3.143 10.072 542 HA HIS 90 HA HIS 90 12.568 4.821 11.235 543 1HB HIS 90 HB2 HIS 90 9.912 3.755 12.156 544 2HB HIS 90 HB1 HIS 90 10.958 4.632 13.254 545 HD1 HIS 90 HD1 HIS 90 11.930 6.768 11.131 546 HD2 HIS 90 HD2 HIS 90 7.987 5.727 11.928 547 HE1 HIS 90 HE1 HIS 90 10.553 8.742 10.404 548 HE2 HIS 90 HE2 HIS 90 8.180 8.125 10.981 549 H LYS 91 HN LYS 91 11.124 1.707 12.144 550 HA LYS 91 HA LYS 91 12.626 1.140 14.361 551 1HB LYS 91 HB2 LYS 91 11.517 -0.719 12.261 552 2HB LYS 91 HB1 LYS 91 12.242 -1.289 13.758 553 1HG LYS 91 HG2 LYS 91 10.336 0.678 14.450 554 2HG LYS 91 HG1 LYS 91 9.581 -0.405 13.279 555 1HD LYS 91 HD2 LYS 91 9.153 -1.336 15.413 556 2HD LYS 91 HD1 LYS 91 10.429 -2.321 14.693 557 1HE LYS 91 HE2 LYS 91 11.875 -0.411 15.989 558 2HE LYS 91 HE1 LYS 91 10.486 -0.585 17.059 559 1HZ LYS 91 HZ1 LYS 91 12.371 -2.703 16.195 560 2HZ LYS 91 HZ2 LYS 91 10.918 -3.029 16.998 561 3HZ LYS 91 HZ3 LYS 91 12.121 -2.120 17.764 562 H SER 92 HN SER 92 13.288 -0.516 11.284 563 HA SER 92 HA SER 92 16.092 -0.743 12.035 564 1HB SER 92 HB2 SER 92 14.641 -2.646 11.056 565 2HB SER 92 HB1 SER 92 14.877 -1.838 9.507 566 HG SER 92 HG SER 92 16.904 -2.814 11.238 567 H GLU 93 HN GLU 93 17.361 0.921 11.545 568 HA GLU 93 HA GLU 93 16.860 2.415 9.068 569 1HB GLU 93 HB2 GLU 93 17.068 3.512 11.415 570 2HB GLU 93 HB1 GLU 93 18.795 3.268 11.196 571 1HG GLU 93 HG2 GLU 93 18.680 4.562 9.101 572 2HG GLU 93 HG1 GLU 93 16.971 4.864 9.412 573 H SER 94 HN SER 94 18.691 -0.122 10.037 574 HA SER 94 HA SER 94 20.338 -1.237 8.892 575 1HB SER 94 HB2 SER 94 19.728 0.668 7.032 576 2HB SER 94 HB1 SER 94 21.416 1.047 7.377 577 HG SER 94 HG SER 94 20.337 -1.086 6.049 578 H ARG 95 HN ARG 95 20.967 2.015 10.097 579 HA ARG 95 HA ARG 95 22.594 2.830 11.458 580 1HB ARG 95 HB2 ARG 95 22.154 0.604 12.637 581 2HB ARG 95 HB1 ARG 95 23.593 0.010 11.819 582 1HG ARG 95 HG2 ARG 95 24.244 0.683 13.995 583 2HG ARG 95 HG1 ARG 95 24.862 1.894 12.869 584 1HD ARG 95 HD2 ARG 95 22.429 2.934 13.470 585 2HD ARG 95 HD1 ARG 95 22.835 2.131 14.987 586 HE ARG 95 HE ARG 95 24.966 3.748 13.944 587 1HH1 ARG 95 HH11 ARG 95 22.049 3.766 15.860 588 2HH1 ARG 95 HH12 ARG 95 22.493 5.182 16.751 589 1HH2 ARG 95 HH21 ARG 95 25.553 5.611 15.115 590 2HH2 ARG 95 HH22 ARG 95 24.482 6.231 16.328 591 H ARG 96 HN ARG 96 23.570 3.850 9.661 592 HA ARG 96 HA ARG 96 26.188 2.719 8.989 593 1HB ARG 96 HB2 ARG 96 24.419 4.019 6.919 594 2HB ARG 96 HB1 ARG 96 25.958 3.212 6.657 595 1HG ARG 96 HG2 ARG 96 24.456 1.245 7.825 596 2HG ARG 96 HG1 ARG 96 23.269 2.108 6.846 597 1HD ARG 96 HD2 ARG 96 24.149 0.436 5.440 598 2HD ARG 96 HD1 ARG 96 24.929 1.936 4.938 599 HE ARG 96 HE ARG 96 26.655 0.877 6.753 600 1HH1 ARG 96 HH11 ARG 96 25.159 -0.327 3.838 601 2HH1 ARG 96 HH12 ARG 96 26.478 -1.379 3.447 602 1HH2 ARG 96 HH21 ARG 96 28.390 -0.505 6.240 603 2HH2 ARG 96 HH22 ARG 96 28.312 -1.481 4.811 604 H ALA 97 HN ALA 97 27.523 4.140 9.913 605 HA ALA 97 HA ALA 97 27.552 6.862 8.977 606 1HB ALA 97 HB1 ALA 97 26.254 6.248 11.457 607 2HB ALA 97 HB2 ALA 97 26.440 7.806 10.651 608 3HB ALA 97 HB3 ALA 97 27.685 7.233 11.762 609 H ASP 98 HN ASP 98 29.617 7.306 8.617 610 HA ASP 98 HA ASP 98 31.726 5.687 9.602 611 1HB ASP 98 HB2 ASP 98 31.416 7.889 7.730 612 2HB ASP 98 HB1 ASP 98 32.897 8.041 8.671 613 H GLU 99 HN GLU 99 33.075 5.938 11.292 614 HA GLU 99 HA GLU 99 32.398 7.942 13.267 615 1HB GLU 99 HB2 GLU 99 32.849 5.567 13.877 616 2HB GLU 99 HB1 GLU 99 34.521 5.794 13.382 617 1HG GLU 99 HG2 GLU 99 35.064 6.910 15.252 618 2HG GLU 99 HG1 GLU 99 33.516 7.750 15.328 619 H ARG 100 HN ARG 100 33.114 9.900 12.485 620 HA ARG 100 HA ARG 100 35.875 10.489 12.884 621 1HB ARG 100 HB2 ARG 100 35.335 9.554 10.362 622 2HB ARG 100 HB1 ARG 100 35.187 11.292 10.144 623 1HG ARG 100 HG2 ARG 100 37.388 11.450 10.015 624 2HG ARG 100 HG1 ARG 100 37.522 10.844 11.667 625 1HD ARG 100 HD2 ARG 100 37.017 8.769 9.661 626 2HD ARG 100 HD1 ARG 100 38.545 9.621 9.446 627 HE ARG 100 HE ARG 100 37.856 7.798 11.561 628 1HH1 ARG 100 HH11 ARG 100 39.932 10.441 10.619 629 2HH1 ARG 100 HH12 ARG 100 41.168 10.041 11.763 630 1HH2 ARG 100 HH21 ARG 100 39.482 7.272 13.066 631 2HH2 ARG 100 HH22 ARG 100 40.914 8.243 13.152 632 H LEU 101 HN LEU 101 33.373 11.871 10.753 633 HA LEU 101 HA LEU 101 33.181 14.166 12.578 634 1HB LEU 101 HB2 LEU 101 34.450 14.223 10.087 635 2HB LEU 101 HB1 LEU 101 32.884 14.958 9.807 636 HG LEU 101 HG LEU 101 34.535 16.658 10.331 637 H LYS 102 HN LYS 102 31.153 14.790 12.999 638 HA LYS 102 HA LYS 102 28.947 13.272 12.191 639 1HB LYS 102 HB2 LYS 102 27.583 15.081 13.215 640 2HB LYS 102 HB1 LYS 102 28.889 14.523 14.252 641 1HG LYS 102 HG2 LYS 102 30.181 16.529 13.148 642 2HG LYS 102 HG1 LYS 102 28.547 17.128 12.864 643 1HD LYS 102 HD2 LYS 102 28.091 16.769 15.303 644 2HD LYS 102 HD1 LYS 102 29.807 16.416 15.508 645 1HE LYS 102 HE2 LYS 102 30.192 18.691 14.369 646 2HE LYS 102 HE1 LYS 102 28.494 18.997 14.729 647 1HZ LYS 102 HZ1 LYS 102 29.586 19.862 16.553 648 2HZ LYS 102 HZ2 LYS 102 30.742 18.628 16.598 649 3HZ LYS 102 HZ3 LYS 102 29.158 18.319 17.104 650 H ASP 103 HN ASP 103 30.004 16.500 11.134 651 HA ASP 103 HA ASP 103 29.523 17.732 9.285 652 1HB ASP 103 HB2 ASP 103 29.639 14.964 8.396 653 2HB ASP 103 HB1 ASP 103 28.578 15.935 7.379 654 H SER 104 HN SER 104 27.807 18.977 9.809 655 HA SER 104 HA SER 104 25.267 18.337 8.663 656 1HB SER 104 HB2 SER 104 25.648 18.168 11.636 657 2HB SER 104 HB1 SER 104 24.106 18.714 10.978 658 HG SER 104 HG SER 104 24.064 16.481 11.262 659 H PHE 105 HN PHE 105 26.900 20.387 8.062 660 HA PHE 105 HA PHE 105 26.454 22.755 9.555 661 1HB PHE 105 HB2 PHE 105 27.240 22.445 6.650 662 2HB PHE 105 HB1 PHE 105 27.380 23.921 7.600 663 HD1 PHE 105 HD1 PHE 105 28.767 20.606 6.964 664 HD2 PHE 105 HD2 PHE 105 29.096 24.153 9.292 665 HE1 PHE 105 HE1 PHE 105 31.019 19.921 7.683 666 HE2 PHE 105 HE2 PHE 105 31.348 23.475 10.015 667 HZ PHE 105 HZ PHE 105 32.312 21.357 9.209 668 H GLU 106 HN GLU 106 24.737 21.178 6.947 669 HA GLU 106 HA GLU 106 23.030 23.412 6.379 670 1HB GLU 106 HB2 GLU 106 23.552 20.833 5.249 671 2HB GLU 106 HB1 GLU 106 21.820 21.000 5.499 672 1HG GLU 106 HG2 GLU 106 21.791 22.050 3.545 673 2HG GLU 106 HG1 GLU 106 22.512 23.416 4.395 674 H ASN 107 HN ASN 107 20.915 23.742 6.998 675 HA ASN 107 HA ASN 107 19.901 21.988 9.137 676 1HB ASN 107 HB2 ASN 107 20.766 24.467 9.638 677 2HB ASN 107 HB1 ASN 107 19.128 24.863 9.125 Start of MODEL 14 1 1H MET 1 HT1 MET 1 4.311 -1.309 -8.708 2 2H MET 1 HT2 MET 1 5.678 -1.060 -7.702 3 3H MET 1 HT3 MET 1 4.154 -1.422 -7.005 4 HA MET 1 HA MET 1 6.043 -3.143 -8.392 5 1HB MET 1 HB2 MET 1 4.888 -2.810 -5.772 6 2HB MET 1 HB1 MET 1 4.591 -4.434 -6.365 7 1HG MET 1 HG2 MET 1 6.599 -4.600 -5.214 8 2HG MET 1 HG1 MET 1 7.079 -4.512 -6.906 9 1HE MET 1 HE1 MET 1 8.313 -3.177 -7.918 10 2HE MET 1 HE2 MET 1 9.672 -2.502 -7.020 11 3HE MET 1 HE3 MET 1 8.433 -1.434 -7.681 12 H THR 2 HN THR 2 4.732 -5.534 -7.986 13 HA THR 2 HA THR 2 3.302 -5.900 -10.294 14 HB THR 2 HB THR 2 2.502 -7.629 -8.040 15 HG1 THR 2 HG1 THR 2 5.194 -7.426 -8.905 16 H LEU 3 HN LEU 3 2.099 -5.118 -7.143 17 HA LEU 3 HA LEU 3 0.071 -4.409 -6.367 18 1HB LEU 3 HB2 LEU 3 0.329 -2.521 -7.733 19 2HB LEU 3 HB1 LEU 3 0.060 -3.433 -9.204 20 HG LEU 3 HG LEU 3 -1.775 -1.826 -8.463 21 H ASN 4 HN ASN 4 -1.373 -5.882 -5.752 22 HA ASN 4 HA ASN 4 -3.008 -7.148 -7.828 23 1HB ASN 4 HB2 ASN 4 -2.221 -8.834 -5.500 24 2HB ASN 4 HB1 ASN 4 -2.674 -9.312 -7.128 25 H ILE 5 HN ILE 5 -5.095 -7.735 -7.202 26 HA ILE 5 HA ILE 5 -5.959 -6.688 -4.588 27 HB ILE 5 HB ILE 5 -7.638 -6.481 -7.082 28 H THR 6 HN THR 6 -8.020 -7.559 -3.819 29 HA THR 6 HA THR 6 -9.025 -9.979 -5.023 30 HB THR 6 HB THR 6 -7.644 -10.088 -2.334 31 HG1 THR 6 HG1 THR 6 -6.036 -10.427 -3.667 32 H SER 7 HN SER 7 -10.686 -8.139 -4.932 33 HA SER 7 HA SER 7 -11.905 -7.421 -2.485 34 1HB SER 7 HB2 SER 7 -13.784 -6.655 -3.873 35 2HB SER 7 HB1 SER 7 -12.246 -6.125 -4.543 36 HG SER 7 HG SER 7 -12.460 -8.168 -5.846 37 H LYS 8 HN LYS 8 -13.035 -8.675 -1.141 38 HA LYS 8 HA LYS 8 -13.785 -11.312 -1.697 39 1HB LYS 8 HB2 LYS 8 -14.555 -11.400 0.457 40 2HB LYS 8 HB1 LYS 8 -13.562 -9.957 0.574 41 1HG LYS 8 HG2 LYS 8 -15.608 -8.593 0.181 42 2HG LYS 8 HG1 LYS 8 -16.552 -10.081 0.250 43 1HD LYS 8 HD2 LYS 8 -14.965 -10.165 2.530 44 2HD LYS 8 HD1 LYS 8 -15.467 -8.479 2.407 45 1HE LYS 8 HE2 LYS 8 -17.761 -9.063 2.423 46 2HE LYS 8 HE1 LYS 8 -17.399 -10.772 2.179 47 1HZ LYS 8 HZ1 LYS 8 -17.012 -11.081 4.350 48 2HZ LYS 8 HZ2 LYS 8 -17.903 -9.658 4.562 49 3HZ LYS 8 HZ3 LYS 8 -16.213 -9.602 4.544 50 H GLN 9 HN GLN 9 -15.623 -8.303 -1.907 51 HA GLN 9 HA GLN 9 -17.757 -9.799 -3.265 52 1HB GLN 9 HB2 GLN 9 -19.218 -7.812 -2.388 53 2HB GLN 9 HB1 GLN 9 -18.860 -9.180 -1.345 54 1HG GLN 9 HG2 GLN 9 -17.635 -7.946 0.074 55 2HG GLN 9 HG1 GLN 9 -16.914 -6.983 -1.218 56 H MET 10 HN MET 10 -17.584 -6.295 -2.866 57 HA MET 10 HA MET 10 -18.243 -5.588 -5.403 58 1HB MET 10 HB2 MET 10 -16.928 -3.458 -4.977 59 2HB MET 10 HB1 MET 10 -18.161 -3.876 -3.801 60 1HG MET 10 HG2 MET 10 -16.214 -4.983 -2.511 61 2HG MET 10 HG1 MET 10 -15.196 -3.987 -3.541 62 1HE MET 10 HE1 MET 10 -14.644 -2.228 -0.480 63 2HE MET 10 HE2 MET 10 -14.458 -1.349 -1.997 64 3HE MET 10 HE3 MET 10 -14.090 -3.073 -1.922 65 H ASP 11 HN ASP 11 -17.389 -6.425 -7.195 66 HA ASP 11 HA ASP 11 -14.835 -7.406 -7.542 67 1HB ASP 11 HB2 ASP 11 -15.286 -7.059 -10.023 68 2HB ASP 11 HB1 ASP 11 -16.475 -8.010 -9.138 69 H ILE 12 HN ILE 12 -13.366 -6.497 -9.417 70 HA ILE 12 HA ILE 12 -12.502 -3.856 -8.507 71 HB ILE 12 HB ILE 12 -10.804 -5.044 -10.545 72 H THR 13 HN THR 13 -12.356 -2.097 -9.811 73 HA THR 13 HA THR 13 -13.036 -2.352 -12.635 74 HB THR 13 HB THR 13 -14.871 -0.958 -12.580 75 HG1 THR 13 HG1 THR 13 -14.019 0.791 -11.502 76 HA PRO 14 HA PRO 14 -10.222 0.864 -13.772 77 1HB PRO 14 HB2 PRO 14 -12.499 2.811 -13.784 78 2HB PRO 14 HB1 PRO 14 -11.185 2.621 -14.953 79 1HG PRO 14 HG2 PRO 14 -13.599 1.617 -15.459 80 2HG PRO 14 HG1 PRO 14 -12.132 0.728 -15.909 81 1HD PRO 14 HD2 PRO 14 -14.077 0.188 -13.747 82 2HD PRO 14 HD1 PRO 14 -13.009 -0.935 -14.607 83 H ALA 15 HN ALA 15 -12.707 2.268 -11.611 84 HA ALA 15 HA ALA 15 -11.136 4.197 -10.397 85 1HB ALA 15 HB1 ALA 15 -12.923 3.026 -8.465 86 2HB ALA 15 HB2 ALA 15 -13.712 3.169 -10.036 87 3HB ALA 15 HB3 ALA 15 -13.011 4.593 -9.269 88 H ILE 16 HN ILE 16 -12.058 1.239 -8.645 89 HA ILE 16 HA ILE 16 -10.112 1.294 -6.702 90 HB ILE 16 HB ILE 16 -11.573 -0.975 -8.012 91 H ARG 17 HN ARG 17 -9.906 -0.760 -9.629 92 HA ARG 17 HA ARG 17 -7.359 -1.679 -9.450 93 1HB ARG 17 HB2 ARG 17 -9.039 -2.095 -11.303 94 2HB ARG 17 HB1 ARG 17 -8.485 -0.598 -12.038 95 1HG ARG 17 HG2 ARG 17 -6.474 -1.479 -12.658 96 2HG ARG 17 HG1 ARG 17 -6.457 -2.654 -11.342 97 1HD ARG 17 HD2 ARG 17 -8.673 -3.324 -12.907 98 2HD ARG 17 HD1 ARG 17 -7.389 -2.945 -14.054 99 HE ARG 17 HE ARG 17 -6.282 -4.838 -13.395 100 1HH1 ARG 17 HH11 ARG 17 -8.788 -4.123 -11.074 101 2HH1 ARG 17 HH12 ARG 17 -8.598 -5.617 -10.220 102 1HH2 ARG 17 HH21 ARG 17 -6.031 -6.805 -12.273 103 2HH2 ARG 17 HH22 ARG 17 -7.032 -7.140 -10.900 104 H GLU 18 HN GLU 18 -8.189 1.319 -11.215 105 HA GLU 18 HA GLU 18 -5.566 2.203 -11.604 106 1HB GLU 18 HB2 GLU 18 -7.493 3.120 -12.821 107 2HB GLU 18 HB1 GLU 18 -8.090 3.852 -11.338 108 1HG GLU 18 HG2 GLU 18 -6.337 5.406 -11.269 109 2HG GLU 18 HG1 GLU 18 -5.389 4.514 -12.459 110 H HIS 19 HN HIS 19 -7.804 2.714 -8.927 111 HA HIS 19 HA HIS 19 -6.327 4.650 -7.523 112 1HB HIS 19 HB2 HIS 19 -8.748 3.734 -7.169 113 2HB HIS 19 HB1 HIS 19 -7.965 2.524 -6.164 114 HD1 HIS 19 HD1 HIS 19 -6.826 6.110 -6.166 115 HD2 HIS 19 HD2 HIS 19 -9.044 3.460 -3.889 116 HE1 HIS 19 HE1 HIS 19 -7.229 7.295 -3.980 117 HE2 HIS 19 HE2 HIS 19 -8.680 5.714 -2.655 118 H LEU 20 HN LEU 20 -6.698 1.228 -6.700 119 HA LEU 20 HA LEU 20 -4.647 0.907 -4.915 120 1HB LEU 20 HB2 LEU 20 -5.338 -1.135 -7.004 121 2HB LEU 20 HB1 LEU 20 -4.761 -1.413 -5.367 122 HG LEU 20 HG LEU 20 -7.457 -0.271 -6.107 123 H GLU 21 HN GLU 21 -4.465 0.686 -8.449 124 HA GLU 21 HA GLU 21 -1.723 0.009 -8.560 125 1HB GLU 21 HB2 GLU 21 -3.599 1.260 -10.561 126 2HB GLU 21 HB1 GLU 21 -1.917 0.914 -10.939 127 1HG GLU 21 HG2 GLU 21 -2.309 -1.454 -10.418 128 2HG GLU 21 HG1 GLU 21 -4.004 -1.091 -10.112 129 H GLU 22 HN GLU 22 -3.395 3.124 -8.996 130 HA GLU 22 HA GLU 22 -1.134 4.727 -9.300 131 1HB GLU 22 HB2 GLU 22 -3.410 5.552 -9.700 132 2HB GLU 22 HB1 GLU 22 -3.768 5.428 -7.982 133 1HG GLU 22 HG2 GLU 22 -2.158 7.147 -7.478 134 2HG GLU 22 HG1 GLU 22 -1.662 7.219 -9.169 135 H ARG 23 HN ARG 23 -2.832 3.699 -6.374 136 HA ARG 23 HA ARG 23 -1.285 5.134 -4.507 137 1HB ARG 23 HB2 ARG 23 -3.488 3.566 -4.291 138 2HB ARG 23 HB1 ARG 23 -2.262 2.471 -3.667 139 1HG ARG 23 HG2 ARG 23 -2.756 5.265 -2.666 140 2HG ARG 23 HG1 ARG 23 -3.364 3.792 -1.917 141 1HD ARG 23 HD2 ARG 23 -0.500 3.704 -2.400 142 2HD ARG 23 HD1 ARG 23 -0.971 5.041 -1.361 143 HE ARG 23 HE ARG 23 -1.656 3.525 0.257 144 1HH1 ARG 23 HH11 ARG 23 -0.689 1.849 -2.653 145 2HH1 ARG 23 HH12 ARG 23 -0.623 0.301 -1.883 146 1HH2 ARG 23 HH21 ARG 23 -1.571 1.488 1.262 147 2HH2 ARG 23 HH22 ARG 23 -1.125 0.094 0.336 148 H LEU 24 HN LEU 24 -1.044 1.741 -5.579 149 HA LEU 24 HA LEU 24 1.274 1.094 -4.164 150 1HB LEU 24 HB2 LEU 24 -0.412 -0.220 -5.895 151 2HB LEU 24 HB1 LEU 24 1.081 -0.146 -6.812 152 HG LEU 24 HG LEU 24 1.830 -0.970 -4.233 153 H ALA 25 HN ALA 25 0.909 2.259 -7.507 154 HA ALA 25 HA ALA 25 3.617 2.373 -8.175 155 1HB ALA 25 HB1 ALA 25 2.698 4.385 -9.652 156 2HB ALA 25 HB2 ALA 25 1.149 3.695 -9.166 157 3HB ALA 25 HB3 ALA 25 2.324 2.702 -10.027 158 H LYS 26 HN LYS 26 1.573 4.551 -6.359 159 HA LYS 26 HA LYS 26 3.464 6.696 -6.248 160 1HB LYS 26 HB2 LYS 26 0.912 6.822 -5.909 161 2HB LYS 26 HB1 LYS 26 1.225 6.236 -4.282 162 1HG LYS 26 HG2 LYS 26 2.698 8.629 -5.282 163 2HG LYS 26 HG1 LYS 26 1.023 8.789 -4.754 164 1HD LYS 26 HD2 LYS 26 1.684 7.694 -2.603 165 2HD LYS 26 HD1 LYS 26 3.362 7.786 -3.140 166 1HE LYS 26 HE2 LYS 26 3.488 10.021 -2.805 167 2HE LYS 26 HE1 LYS 26 1.811 10.293 -3.277 168 1HZ LYS 26 HZ1 LYS 26 2.897 9.526 -0.652 169 2HZ LYS 26 HZ2 LYS 26 1.308 9.109 -1.052 170 3HZ LYS 26 HZ3 LYS 26 1.776 10.735 -1.035 171 H LEU 27 HN LEU 27 2.625 3.933 -4.243 172 HA LEU 27 HA LEU 27 4.378 4.679 -2.095 173 1HB LEU 27 HB2 LEU 27 2.494 2.508 -2.660 174 2HB LEU 27 HB1 LEU 27 3.919 1.977 -1.788 175 HG LEU 27 HG LEU 27 1.896 4.036 -0.923 176 H GLY 28 HN GLY 28 4.887 3.428 -5.166 177 1HA GLY 28 HA2 GLY 28 6.984 1.586 -4.659 178 2HA GLY 28 HA1 GLY 28 6.680 2.410 -6.182 179 H LYS 29 HN LYS 29 6.856 5.066 -4.926 180 HA LYS 29 HA LYS 29 9.678 5.430 -5.216 181 1HB LYS 29 HB2 LYS 29 9.259 7.762 -4.994 182 2HB LYS 29 HB1 LYS 29 7.957 7.091 -5.960 183 1HG LYS 29 HG2 LYS 29 6.412 7.772 -4.510 184 2HG LYS 29 HG1 LYS 29 7.304 7.129 -3.133 185 1HD LYS 29 HD2 LYS 29 8.727 9.389 -4.042 186 2HD LYS 29 HD1 LYS 29 7.024 9.842 -3.994 187 1HE LYS 29 HE2 LYS 29 7.816 10.350 -1.853 188 2HE LYS 29 HE1 LYS 29 6.998 8.800 -1.658 189 1HZ LYS 29 HZ1 LYS 29 8.918 7.745 -1.209 190 2HZ LYS 29 HZ2 LYS 29 9.453 9.288 -0.767 191 3HZ LYS 29 HZ3 LYS 29 9.829 8.668 -2.296 192 H TRP 30 HN TRP 30 7.799 4.488 -2.626 193 HA TRP 30 HA TRP 30 9.228 5.832 -0.532 194 1HB TRP 30 HB2 TRP 30 7.084 3.772 -0.696 195 2HB TRP 30 HB1 TRP 30 8.012 3.880 0.790 196 HD1 TRP 30 HD1 TRP 30 5.620 5.983 -1.377 197 HE1 TRP 30 HE1 TRP 30 4.576 7.800 0.119 198 HE3 TRP 30 HE3 TRP 30 8.335 5.186 2.861 199 HZ2 TRP 30 HZ2 TRP 30 4.875 8.765 2.767 200 HZ3 TRP 30 HZ3 TRP 30 7.911 6.600 4.824 201 HH2 TRP 30 HH2 TRP 30 6.216 8.353 4.778 202 H GLN 31 HN GLN 31 11.384 5.358 -0.561 203 HA GLN 31 HA GLN 31 12.888 3.368 -1.334 204 1HB GLN 31 HB2 GLN 31 14.366 3.644 0.663 205 2HB GLN 31 HB1 GLN 31 13.903 5.143 -0.123 206 1HG GLN 31 HG2 GLN 31 12.460 4.082 2.282 207 2HG GLN 31 HG1 GLN 31 13.886 5.107 2.408 208 H THR 32 HN THR 32 11.411 1.545 -1.401 209 HA THR 32 HA THR 32 12.074 -0.404 0.572 210 HB THR 32 HB THR 32 9.351 0.845 0.470 211 HG1 THR 32 HG1 THR 32 9.652 0.972 2.568 212 H GLN 33 HN GLN 33 11.038 -2.548 -0.064 213 HA GLN 33 HA GLN 33 10.535 -2.638 -2.957 214 1HB GLN 33 HB2 GLN 33 11.578 -5.006 -2.743 215 2HB GLN 33 HB1 GLN 33 12.633 -3.610 -2.885 216 1HG GLN 33 HG2 GLN 33 11.878 -4.620 -0.187 217 2HG GLN 33 HG1 GLN 33 13.118 -5.456 -1.119 218 H LEU 34 HN LEU 34 8.378 -2.665 -2.658 219 HA LEU 34 HA LEU 34 6.943 -4.088 -0.811 220 1HB LEU 34 HB2 LEU 34 6.000 -3.593 -3.624 221 2HB LEU 34 HB1 LEU 34 5.032 -3.695 -2.168 222 HG LEU 34 HG LEU 34 6.899 -1.473 -2.966 223 H ILE 35 HN ILE 35 7.523 -6.163 -0.454 224 HA ILE 35 HA ILE 35 7.967 -8.079 -2.502 225 HB ILE 35 HB ILE 35 7.410 -8.413 0.445 226 H SER 36 HN SER 36 6.136 -7.970 -3.851 227 HA SER 36 HA SER 36 4.067 -8.538 -4.614 228 1HB SER 36 HB2 SER 36 5.053 -10.688 -3.117 229 2HB SER 36 HB1 SER 36 3.393 -10.484 -2.554 230 HG SER 36 HG SER 36 2.848 -10.438 -4.881 231 HA PRO 37 HA PRO 37 1.697 -6.072 -1.638 232 1HB PRO 37 HB2 PRO 37 1.066 -4.099 -3.277 233 2HB PRO 37 HB1 PRO 37 2.736 -4.277 -2.717 234 1HG PRO 37 HG2 PRO 37 1.528 -5.077 -5.336 235 2HG PRO 37 HG1 PRO 37 3.082 -4.296 -5.024 236 1HD PRO 37 HD2 PRO 37 2.690 -7.007 -5.446 237 2HD PRO 37 HD1 PRO 37 4.116 -6.279 -4.682 238 H HIS 38 HN HIS 38 -0.354 -6.576 -1.176 239 HA HIS 38 HA HIS 38 -2.210 -7.120 -3.394 240 1HB HIS 38 HB2 HIS 38 -1.594 -8.686 -1.058 241 2HB HIS 38 HB1 HIS 38 -3.292 -8.265 -1.077 242 HD1 HIS 38 HD1 HIS 38 -1.147 -10.843 -2.142 243 HD2 HIS 38 HD2 HIS 38 -4.385 -8.889 -3.861 244 HE1 HIS 38 HE1 HIS 38 -2.010 -12.403 -3.915 245 HE2 HIS 38 HE2 HIS 38 -3.907 -11.158 -5.009 246 H PHE 39 HN PHE 39 -4.554 -6.933 -2.570 247 HA PHE 39 HA PHE 39 -4.938 -4.844 -0.621 248 1HB PHE 39 HB2 PHE 39 -4.899 -4.271 -3.455 249 2HB PHE 39 HB1 PHE 39 -6.455 -3.895 -2.728 250 HD1 PHE 39 HD1 PHE 39 -6.781 -1.993 -1.441 251 HD2 PHE 39 HD2 PHE 39 -2.828 -3.241 -2.403 252 HE1 PHE 39 HE1 PHE 39 -5.900 0.117 -0.535 253 HE2 PHE 39 HE2 PHE 39 -1.939 -1.132 -1.495 254 HZ PHE 39 HZ PHE 39 -3.479 0.549 -0.560 255 H VAL 40 HN VAL 40 -6.243 -6.109 0.600 256 HA VAL 40 HA VAL 40 -8.484 -7.486 -0.622 257 HB VAL 40 HB VAL 40 -7.656 -7.335 2.283 258 H LEU 41 HN LEU 41 -9.787 -5.786 -1.286 259 HA LEU 41 HA LEU 41 -10.761 -3.930 0.757 260 1HB LEU 41 HB2 LEU 41 -11.569 -2.565 -1.027 261 2HB LEU 41 HB1 LEU 41 -9.911 -3.003 -1.374 262 HG LEU 41 HG LEU 41 -12.220 -4.501 -2.579 263 H ASN 42 HN ASN 42 -12.920 -3.655 1.219 264 HA ASN 42 HA ASN 42 -14.891 -5.308 -0.101 265 1HB ASN 42 HB2 ASN 42 -14.577 -5.568 2.888 266 2HB ASN 42 HB1 ASN 42 -15.631 -6.496 1.827 267 H LYS 43 HN LYS 43 -17.086 -4.948 0.876 268 HA LYS 43 HA LYS 43 -17.362 -2.176 1.871 269 1HB LYS 43 HB2 LYS 43 -18.303 -1.783 -0.158 270 2HB LYS 43 HB1 LYS 43 -18.525 -3.488 -0.503 271 1HG LYS 43 HG2 LYS 43 -20.535 -3.483 0.955 272 2HG LYS 43 HG1 LYS 43 -20.333 -1.747 1.179 273 1HD LYS 43 HD2 LYS 43 -20.243 -2.281 -1.614 274 2HD LYS 43 HD1 LYS 43 -21.640 -3.127 -0.943 275 1HE LYS 43 HE2 LYS 43 -21.149 -0.305 -0.126 276 2HE LYS 43 HE1 LYS 43 -21.803 -0.617 -1.735 277 1HZ LYS 43 HZ1 LYS 43 -23.640 -0.332 -0.321 278 2HZ LYS 43 HZ2 LYS 43 -22.992 -1.329 0.882 279 3HZ LYS 43 HZ3 LYS 43 -23.535 -2.003 -0.571 280 H VAL 44 HN VAL 44 -19.622 -1.856 2.800 281 HA VAL 44 HA VAL 44 -21.088 -4.094 3.702 282 HB VAL 44 HB VAL 44 -20.651 -3.446 6.172 283 HA PRO 45 HA PRO 45 -24.354 -1.215 4.235 284 1HB PRO 45 HB2 PRO 45 -24.740 -2.281 6.991 285 2HB PRO 45 HB1 PRO 45 -25.910 -2.103 5.679 286 1HG PRO 45 HG2 PRO 45 -24.922 -4.495 6.297 287 2HG PRO 45 HG1 PRO 45 -25.204 -4.035 4.608 288 1HD PRO 45 HD2 PRO 45 -22.641 -4.208 6.126 289 2HD PRO 45 HD1 PRO 45 -22.972 -4.578 4.422 290 H ASN 46 HN ASN 46 -22.278 -1.569 7.083 291 HA ASN 46 HA ASN 46 -22.863 1.086 8.032 292 1HB ASN 46 HB2 ASN 46 -22.030 -1.172 9.273 293 2HB ASN 46 HB1 ASN 46 -20.497 -0.324 9.103 294 H GLY 47 HN GLY 47 -21.077 0.142 5.460 295 1HA GLY 47 HA2 GLY 47 -19.950 2.293 4.582 296 2HA GLY 47 HA1 GLY 47 -18.884 2.002 5.947 297 H PHE 48 HN PHE 48 -17.277 1.931 4.265 298 HA PHE 48 HA PHE 48 -17.154 -0.619 2.819 299 1HB PHE 48 HB2 PHE 48 -15.889 2.048 2.353 300 2HB PHE 48 HB1 PHE 48 -15.183 0.622 1.663 301 HD1 PHE 48 HD1 PHE 48 -17.961 2.965 1.538 302 HD2 PHE 48 HD2 PHE 48 -16.283 -0.572 -0.117 303 HE1 PHE 48 HE1 PHE 48 -19.434 3.185 -0.420 304 HE2 PHE 48 HE2 PHE 48 -17.757 -0.370 -2.071 305 HZ PHE 48 HZ PHE 48 -19.324 1.510 -2.229 306 H SER 49 HN SER 49 -15.676 -2.098 3.444 307 HA SER 49 HA SER 49 -13.648 -1.244 5.387 308 1HB SER 49 HB2 SER 49 -13.811 -4.091 5.208 309 2HB SER 49 HB1 SER 49 -14.144 -3.053 6.588 310 HG SER 49 HG SER 49 -16.272 -2.745 5.622 311 H VAL 50 HN VAL 50 -11.667 -1.177 4.718 312 HA VAL 50 HA VAL 50 -10.874 -2.828 2.410 313 HB VAL 50 HB VAL 50 -9.499 -0.220 2.794 314 H GLU 51 HN GLU 51 -9.184 -4.091 2.778 315 HA GLU 51 HA GLU 51 -7.271 -3.341 4.877 316 1HB GLU 51 HB2 GLU 51 -8.501 -5.090 5.873 317 2HB GLU 51 HB1 GLU 51 -8.584 -5.992 4.376 318 1HG GLU 51 HG2 GLU 51 -6.697 -7.077 4.803 319 2HG GLU 51 HG1 GLU 51 -5.851 -5.594 5.235 320 H ALA 52 HN ALA 52 -5.253 -3.275 4.220 321 HA ALA 52 HA ALA 52 -4.577 -4.514 1.636 322 1HB ALA 52 HB1 ALA 52 -3.412 -2.060 2.941 323 2HB ALA 52 HB2 ALA 52 -4.469 -2.108 1.529 324 3HB ALA 52 HB3 ALA 52 -2.838 -2.774 1.433 325 H SER 53 HN SER 53 -2.439 -5.340 1.354 326 HA SER 53 HA SER 53 -0.836 -5.826 3.719 327 1HB SER 53 HB2 SER 53 -1.798 -8.170 2.074 328 2HB SER 53 HB1 SER 53 -0.871 -8.215 3.573 329 HG SER 53 HG SER 53 -2.790 -7.095 4.493 330 H ILE 54 HN ILE 54 1.075 -5.095 3.007 331 HA ILE 54 HA ILE 54 2.054 -6.096 0.413 332 HB ILE 54 HB ILE 54 2.669 -3.371 1.562 333 H GLY 55 HN GLY 55 3.669 -7.484 0.809 334 1HA GLY 55 HA2 GLY 55 5.104 -7.640 3.197 335 2HA GLY 55 HA1 GLY 55 5.537 -8.429 1.706 336 H THR 56 HN THR 56 7.161 -7.197 3.699 337 HA THR 56 HA THR 56 8.782 -5.568 1.944 338 HB THR 56 HB THR 56 8.775 -3.620 3.066 339 HG1 THR 56 HG1 THR 56 8.046 -4.407 5.587 340 HA PRO 57 HA PRO 57 11.996 -7.994 3.835 341 1HB PRO 57 HB2 PRO 57 13.728 -5.616 3.538 342 2HB PRO 57 HB1 PRO 57 13.947 -7.251 2.909 343 1HG PRO 57 HG2 PRO 57 13.264 -5.187 1.331 344 2HG PRO 57 HG1 PRO 57 12.703 -6.836 1.023 345 1HD PRO 57 HD2 PRO 57 11.237 -4.499 2.136 346 2HD PRO 57 HD1 PRO 57 10.653 -5.842 1.131 347 H LEU 58 HN LEU 58 10.881 -4.932 4.946 348 HA LEU 58 HA LEU 58 12.400 -5.139 7.435 349 1HB LEU 58 HB2 LEU 58 10.924 -2.950 6.048 350 2HB LEU 58 HB1 LEU 58 11.075 -2.871 7.792 351 HG LEU 58 HG LEU 58 12.847 -1.572 6.951 352 H GLY 59 HN GLY 59 9.281 -5.702 6.125 353 1HA GLY 59 HA2 GLY 59 8.222 -7.192 8.091 354 2HA GLY 59 HA1 GLY 59 7.879 -5.572 8.650 355 H ASN 60 HN ASN 60 6.362 -8.012 7.400 356 HA ASN 60 HA ASN 60 5.178 -7.246 5.012 357 1HB ASN 60 HB2 ASN 60 3.789 -8.711 7.251 358 2HB ASN 60 HB1 ASN 60 3.424 -8.799 5.534 359 H LEU 61 HN LEU 61 4.113 -5.431 4.558 360 HA LEU 61 HA LEU 61 2.940 -3.799 6.596 361 1HB LEU 61 HB2 LEU 61 2.736 -3.626 3.586 362 2HB LEU 61 HB1 LEU 61 2.081 -2.438 4.688 363 HG LEU 61 HG LEU 61 4.957 -2.986 5.021 364 H LEU 62 HN LEU 62 0.850 -3.583 7.168 365 HA LEU 62 HA LEU 62 -1.235 -4.858 5.627 366 1HB LEU 62 HB2 LEU 62 -1.025 -5.534 8.539 367 2HB LEU 62 HB1 LEU 62 -2.076 -6.245 7.336 368 HG LEU 62 HG LEU 62 0.918 -6.567 7.261 369 H ALA 63 HN ALA 63 -3.253 -4.035 6.047 370 HA ALA 63 HA ALA 63 -3.667 -2.142 8.180 371 1HB ALA 63 HB1 ALA 63 -2.505 -0.725 6.601 372 2HB ALA 63 HB2 ALA 63 -4.198 -0.247 6.702 373 3HB ALA 63 HB3 ALA 63 -3.626 -1.182 5.321 374 H SER 64 HN SER 64 -5.866 -1.251 8.164 375 HA SER 64 HA SER 64 -7.846 -2.368 6.438 376 1HB SER 64 HB2 SER 64 -8.996 -3.448 8.584 377 2HB SER 64 HB1 SER 64 -7.888 -4.366 7.563 378 HG SER 64 HG SER 64 -6.392 -4.290 9.087 379 H ALA 65 HN ALA 65 -9.580 -1.050 6.408 380 HA ALA 65 HA ALA 65 -10.251 0.512 8.772 381 1HB ALA 65 HB1 ALA 65 -9.733 2.564 7.994 382 2HB ALA 65 HB2 ALA 65 -10.103 2.142 6.322 383 3HB ALA 65 HB3 ALA 65 -8.560 1.667 7.031 384 H THR 66 HN THR 66 -12.359 1.140 8.885 385 HA THR 66 HA THR 66 -14.102 0.378 6.634 386 HB THR 66 HB THR 66 -14.728 0.182 9.586 387 HG1 THR 66 HG1 THR 66 -13.836 -1.690 9.433 388 H SER 67 HN SER 67 -15.041 2.120 5.755 389 HA SER 67 HA SER 67 -16.211 4.137 7.474 390 1HB SER 67 HB2 SER 67 -13.673 4.550 6.157 391 2HB SER 67 HB1 SER 67 -14.874 5.683 5.551 392 HG SER 67 HG SER 67 -14.083 6.660 7.323 393 H ASP 68 HN ASP 68 -17.595 5.628 6.303 394 HA ASP 68 HA ASP 68 -19.013 4.299 4.200 395 1HB ASP 68 HB2 ASP 68 -19.371 6.805 5.777 396 2HB ASP 68 HB1 ASP 68 -20.217 6.672 4.237 397 H ASP 69 HN ASP 69 -16.202 5.984 4.111 398 HA ASP 69 HA ASP 69 -16.779 7.109 1.456 399 1HB ASP 69 HB2 ASP 69 -15.030 8.018 3.695 400 2HB ASP 69 HB1 ASP 69 -14.522 8.368 2.043 401 H MET 70 HN MET 70 -16.311 5.436 0.163 402 HA MET 70 HA MET 70 -14.576 3.414 0.259 403 1HB MET 70 HB2 MET 70 -15.900 4.909 -1.812 404 2HB MET 70 HB1 MET 70 -14.344 4.327 -2.383 405 1HG MET 70 HG2 MET 70 -15.562 2.190 -1.011 406 2HG MET 70 HG1 MET 70 -16.798 2.909 -2.040 407 1HE MET 70 HE1 MET 70 -12.677 1.772 -3.027 408 2HE MET 70 HE2 MET 70 -13.489 0.218 -2.808 409 3HE MET 70 HE3 MET 70 -13.555 1.432 -1.527 410 H TYR 71 HN TYR 71 -13.612 6.331 -1.549 411 HA TYR 71 HA TYR 71 -10.909 5.563 -1.629 412 1HB TYR 71 HB2 TYR 71 -12.447 7.947 -2.447 413 2HB TYR 71 HB1 TYR 71 -10.716 8.176 -2.190 414 HD1 TYR 71 HD1 TYR 71 -10.493 8.643 -4.647 415 HD2 TYR 71 HD2 TYR 71 -11.850 4.887 -3.182 416 HE1 TYR 71 HE1 TYR 71 -10.024 7.617 -6.835 417 HE2 TYR 71 HE2 TYR 71 -11.376 3.848 -5.339 418 HH TYR 71 HH TYR 71 -11.180 4.586 -7.731 419 H LYS 72 HN LYS 72 -12.703 7.247 0.798 420 HA LYS 72 HA LYS 72 -10.398 8.408 2.059 421 1HB LYS 72 HB2 LYS 72 -12.733 9.231 2.369 422 2HB LYS 72 HB1 LYS 72 -13.021 7.781 3.303 423 1HG LYS 72 HG2 LYS 72 -10.715 9.416 4.112 424 2HG LYS 72 HG1 LYS 72 -12.315 10.099 4.408 425 1HD LYS 72 HD2 LYS 72 -12.945 8.040 5.606 426 2HD LYS 72 HD1 LYS 72 -11.316 7.411 5.349 427 1HE LYS 72 HE2 LYS 72 -11.366 8.305 7.545 428 2HE LYS 72 HE1 LYS 72 -10.456 9.442 6.552 429 1HZ LYS 72 HZ1 LYS 72 -13.025 9.771 7.866 430 2HZ LYS 72 HZ2 LYS 72 -12.906 10.441 6.318 431 3HZ LYS 72 HZ3 LYS 72 -11.825 10.916 7.528 432 H ALA 73 HN ALA 73 -12.297 5.457 2.313 433 HA ALA 73 HA ALA 73 -11.060 4.381 4.617 434 1HB ALA 73 HB1 ALA 73 -11.981 2.565 2.440 435 2HB ALA 73 HB2 ALA 73 -13.182 3.601 3.212 436 3HB ALA 73 HB3 ALA 73 -12.247 2.462 4.181 437 H ILE 74 HN ILE 74 -10.528 4.050 1.149 438 HA ILE 74 HA ILE 74 -8.172 2.481 1.271 439 HB ILE 74 HB ILE 74 -9.420 4.283 -0.786 440 H ASN 75 HN ASN 75 -8.954 5.865 1.398 441 HA ASN 75 HA ASN 75 -6.438 7.052 1.301 442 1HB ASN 75 HB2 ASN 75 -8.963 7.918 1.394 443 2HB ASN 75 HB1 ASN 75 -8.576 8.167 3.086 444 H GLU 76 HN GLU 76 -8.318 5.661 3.921 445 HA GLU 76 HA GLU 76 -6.531 6.340 6.027 446 1HB GLU 76 HB2 GLU 76 -9.074 5.152 5.784 447 2HB GLU 76 HB1 GLU 76 -8.059 3.946 6.566 448 1HG GLU 76 HG2 GLU 76 -8.436 6.784 7.497 449 2HG GLU 76 HG1 GLU 76 -9.224 5.362 8.180 450 H VAL 77 HN VAL 77 -7.163 3.267 4.307 451 HA VAL 77 HA VAL 77 -5.248 1.664 5.460 452 HB VAL 77 HB VAL 77 -5.716 1.611 2.491 453 H GLU 78 HN GLU 78 -4.894 3.826 2.676 454 HA GLU 78 HA GLU 78 -2.220 3.329 2.128 455 1HB GLU 78 HB2 GLU 78 -3.475 4.599 0.550 456 2HB GLU 78 HB1 GLU 78 -3.912 5.799 1.758 457 1HG GLU 78 HG2 GLU 78 -1.640 6.609 1.835 458 2HG GLU 78 HG1 GLU 78 -1.122 5.346 0.720 459 H GLU 79 HN GLU 79 -3.733 5.357 4.536 460 HA GLU 79 HA GLU 79 -1.365 6.707 5.353 461 1HB GLU 79 HB2 GLU 79 -4.104 6.859 5.958 462 2HB GLU 79 HB1 GLU 79 -3.320 6.436 7.474 463 1HG GLU 79 HG2 GLU 79 -1.890 8.366 7.328 464 2HG GLU 79 HG1 GLU 79 -2.526 8.757 5.731 465 H LYS 80 HN LYS 80 -3.115 3.846 6.530 466 HA LYS 80 HA LYS 80 -1.355 3.328 8.691 467 1HB LYS 80 HB2 LYS 80 -3.713 2.183 7.662 468 2HB LYS 80 HB1 LYS 80 -2.514 0.902 7.639 469 1HG LYS 80 HG2 LYS 80 -2.408 0.771 9.888 470 2HG LYS 80 HG1 LYS 80 -2.661 2.502 10.111 471 1HD LYS 80 HD2 LYS 80 -5.010 2.281 9.765 472 2HD LYS 80 HD1 LYS 80 -4.833 0.608 9.231 473 1HE LYS 80 HE2 LYS 80 -3.685 0.961 11.847 474 2HE LYS 80 HE1 LYS 80 -5.353 1.531 11.825 475 1HZ LYS 80 HZ1 LYS 80 -6.126 -0.560 11.158 476 2HZ LYS 80 HZ2 LYS 80 -4.982 -0.897 12.357 477 3HZ LYS 80 HZ3 LYS 80 -4.583 -1.106 10.726 478 H LEU 81 HN LEU 81 -1.545 2.086 5.382 479 HA LEU 81 HA LEU 81 0.659 0.345 5.544 480 1HB LEU 81 HB2 LEU 81 -1.166 1.267 3.527 481 2HB LEU 81 HB1 LEU 81 0.465 1.314 2.886 482 HG LEU 81 HG LEU 81 -0.977 -0.815 2.563 483 H GLU 82 HN GLU 82 0.428 3.755 4.501 484 HA GLU 82 HA GLU 82 3.174 3.970 3.807 485 1HB GLU 82 HB2 GLU 82 1.275 5.518 3.122 486 2HB GLU 82 HB1 GLU 82 1.426 6.250 4.711 487 1HG GLU 82 HG2 GLU 82 3.244 7.400 4.137 488 2HG GLU 82 HG1 GLU 82 3.962 6.024 3.300 489 H ARG 83 HN ARG 83 1.389 5.162 6.668 490 HA ARG 83 HA ARG 83 3.559 6.081 8.122 491 1HB ARG 83 HB2 ARG 83 2.203 5.985 10.057 492 2HB ARG 83 HB1 ARG 83 1.087 6.255 8.726 493 1HG ARG 83 HG2 ARG 83 0.448 3.929 8.741 494 2HG ARG 83 HG1 ARG 83 1.642 3.578 9.989 495 1HD ARG 83 HD2 ARG 83 -0.163 5.748 10.713 496 2HD ARG 83 HD1 ARG 83 -1.002 4.227 10.411 497 HE ARG 83 HE ARG 83 1.125 3.592 12.035 498 1HH1 ARG 83 HH11 ARG 83 -1.654 5.692 12.234 499 2HH1 ARG 83 HH12 ARG 83 -1.787 5.563 13.955 500 1HH2 ARG 83 HH21 ARG 83 0.953 3.419 14.301 501 2HH2 ARG 83 HH22 ARG 83 -0.307 4.273 15.129 502 H GLN 84 HN GLN 84 2.252 2.813 7.852 503 HA GLN 84 HA GLN 84 4.016 1.590 9.692 504 1HB GLN 84 HB2 GLN 84 2.379 0.564 7.387 505 2HB GLN 84 HB1 GLN 84 3.468 -0.501 8.268 506 1HG GLN 84 HG2 GLN 84 2.264 -0.182 10.291 507 2HG GLN 84 HG1 GLN 84 1.301 1.106 9.574 508 H LEU 85 HN LEU 85 4.175 2.285 6.233 509 HA LEU 85 HA LEU 85 6.534 0.919 5.595 510 1HB LEU 85 HB2 LEU 85 4.905 3.016 4.417 511 2HB LEU 85 HB1 LEU 85 6.609 3.316 4.143 512 HG LEU 85 HG LEU 85 5.639 0.578 3.549 513 H ASN 86 HN ASN 86 5.977 4.224 6.728 514 HA ASN 86 HA ASN 86 8.663 5.021 6.931 515 1HB ASN 86 HB2 ASN 86 6.384 6.369 7.158 516 2HB ASN 86 HB1 ASN 86 6.633 6.050 8.873 517 H LYS 87 HN LYS 87 6.534 3.226 9.055 518 HA LYS 87 HA LYS 87 8.122 3.284 11.389 519 1HB LYS 87 HB2 LYS 87 5.727 2.026 10.551 520 2HB LYS 87 HB1 LYS 87 6.806 0.741 11.086 521 1HG LYS 87 HG2 LYS 87 7.056 1.794 13.241 522 2HG LYS 87 HG1 LYS 87 6.095 3.177 12.712 523 1HD LYS 87 HD2 LYS 87 4.153 1.725 12.425 524 2HD LYS 87 HD1 LYS 87 5.113 0.330 12.923 525 1HE LYS 87 HE2 LYS 87 4.153 0.820 14.924 526 2HE LYS 87 HE1 LYS 87 5.558 1.880 15.034 527 1HZ LYS 87 HZ1 LYS 87 2.764 2.598 14.390 528 2HZ LYS 87 HZ2 LYS 87 4.049 3.627 14.003 529 3HZ LYS 87 HZ3 LYS 87 3.755 3.212 15.616 530 H LEU 88 HN LEU 88 7.833 0.842 8.815 531 HA LEU 88 HA LEU 88 9.843 -0.878 9.644 532 1HB LEU 88 HB2 LEU 88 8.725 -0.172 6.960 533 2HB LEU 88 HB1 LEU 88 10.144 -1.186 7.041 534 HG LEU 88 HG LEU 88 8.984 -3.005 7.745 535 H GLN 89 HN GLN 89 10.036 1.926 7.483 536 HA GLN 89 HA GLN 89 12.825 1.813 7.057 537 1HB GLN 89 HB2 GLN 89 10.952 4.188 6.949 538 2HB GLN 89 HB1 GLN 89 12.600 4.179 6.337 539 1HG GLN 89 HG2 GLN 89 11.983 2.444 4.723 540 2HG GLN 89 HG1 GLN 89 10.329 2.479 5.326 541 H HIS 90 HN HIS 90 10.845 3.102 9.604 542 HA HIS 90 HA HIS 90 12.882 4.703 10.829 543 1HB HIS 90 HB2 HIS 90 10.121 3.810 11.550 544 2HB HIS 90 HB1 HIS 90 11.162 4.432 12.821 545 HD1 HIS 90 HD1 HIS 90 12.518 6.660 10.999 546 HD2 HIS 90 HD2 HIS 90 8.441 6.007 11.467 547 HE1 HIS 90 HE1 HIS 90 11.417 8.847 10.429 548 HE2 HIS 90 HE2 HIS 90 8.946 8.409 10.650 549 H LYS 91 HN LYS 91 11.129 1.925 12.151 550 HA LYS 91 HA LYS 91 11.710 0.293 13.579 551 1HB LYS 91 HB2 LYS 91 13.969 0.460 11.663 552 2HB LYS 91 HB1 LYS 91 14.225 -0.509 13.108 553 1HG LYS 91 HG2 LYS 91 11.688 -1.195 12.053 554 2HG LYS 91 HG1 LYS 91 12.846 -1.194 10.723 555 1HD LYS 91 HD2 LYS 91 14.089 -2.899 11.624 556 2HD LYS 91 HD1 LYS 91 13.623 -2.507 13.279 557 1HE LYS 91 HE2 LYS 91 11.359 -3.315 11.643 558 2HE LYS 91 HE1 LYS 91 12.607 -4.558 11.731 559 1HZ LYS 91 HZ1 LYS 91 11.809 -3.246 14.221 560 2HZ LYS 91 HZ2 LYS 91 12.301 -4.841 13.951 561 3HZ LYS 91 HZ3 LYS 91 10.732 -4.360 13.541 562 H SER 92 HN SER 92 11.740 1.030 15.617 563 HA SER 92 HA SER 92 13.808 2.778 16.587 564 1HB SER 92 HB2 SER 92 11.447 1.426 17.892 565 2HB SER 92 HB1 SER 92 12.613 2.375 18.815 566 HG SER 92 HG SER 92 10.916 3.246 16.725 567 H GLU 93 HN GLU 93 13.159 -0.640 16.607 568 HA GLU 93 HA GLU 93 15.316 -1.127 18.522 569 1HB GLU 93 HB2 GLU 93 14.551 -3.469 18.473 570 2HB GLU 93 HB1 GLU 93 13.253 -2.362 18.895 571 1HG GLU 93 HG2 GLU 93 12.103 -2.751 16.975 572 2HG GLU 93 HG1 GLU 93 13.559 -3.087 16.039 573 H SER 94 HN SER 94 15.977 -0.078 15.948 574 HA SER 94 HA SER 94 17.875 -2.103 15.127 575 1HB SER 94 HB2 SER 94 15.512 -2.065 13.752 576 2HB SER 94 HB1 SER 94 16.490 -0.956 12.792 577 HG SER 94 HG SER 94 16.696 -3.675 13.093 578 H ARG 95 HN ARG 95 19.617 -1.264 13.895 579 HA ARG 95 HA ARG 95 19.797 1.675 13.977 580 1HB ARG 95 HB2 ARG 95 21.433 -0.203 15.197 581 2HB ARG 95 HB1 ARG 95 22.339 0.260 13.763 582 1HG ARG 95 HG2 ARG 95 21.380 2.649 14.874 583 2HG ARG 95 HG1 ARG 95 21.973 1.681 16.225 584 1HD ARG 95 HD2 ARG 95 23.788 1.554 13.984 585 2HD ARG 95 HD1 ARG 95 23.484 3.225 14.455 586 HE ARG 95 HE ARG 95 24.629 2.855 16.406 587 1HH1 ARG 95 HH11 ARG 95 23.931 -0.213 14.894 588 2HH1 ARG 95 HH12 ARG 95 24.932 -1.117 15.981 589 1HH2 ARG 95 HH21 ARG 95 25.945 1.667 17.835 590 2HH2 ARG 95 HH22 ARG 95 26.074 -0.050 17.651 591 H ARG 96 HN ARG 96 22.094 1.996 12.470 592 HA ARG 96 HA ARG 96 22.814 2.271 10.333 593 1HB ARG 96 HB2 ARG 96 21.705 -0.479 10.341 594 2HB ARG 96 HB1 ARG 96 21.956 0.256 8.764 595 1HG ARG 96 HG2 ARG 96 24.320 0.815 9.720 596 2HG ARG 96 HG1 ARG 96 23.952 -0.497 10.842 597 1HD ARG 96 HD2 ARG 96 23.941 -2.090 9.189 598 2HD ARG 96 HD1 ARG 96 23.494 -0.936 7.932 599 HE ARG 96 HE ARG 96 25.996 -0.165 8.672 600 1HH1 ARG 96 HH11 ARG 96 24.602 -3.176 7.588 601 2HH1 ARG 96 HH12 ARG 96 26.062 -3.728 6.838 602 1HH2 ARG 96 HH21 ARG 96 27.917 -0.889 7.685 603 2HH2 ARG 96 HH22 ARG 96 27.945 -2.429 6.894 604 H ALA 97 HN ALA 97 20.876 3.915 10.781 605 HA ALA 97 HA ALA 97 18.919 3.601 8.604 606 1HB ALA 97 HB1 ALA 97 17.617 5.359 9.847 607 2HB ALA 97 HB2 ALA 97 18.776 5.175 11.165 608 3HB ALA 97 HB3 ALA 97 17.775 3.809 10.673 609 H ASP 98 HN ASP 98 21.408 5.638 9.950 610 HA ASP 98 HA ASP 98 21.313 7.281 7.522 611 1HB ASP 98 HB2 ASP 98 20.215 8.434 9.520 612 2HB ASP 98 HB1 ASP 98 21.823 8.494 10.236 613 H GLU 99 HN GLU 99 23.147 6.549 6.592 614 HA GLU 99 HA GLU 99 25.593 6.469 8.219 615 1HB GLU 99 HB2 GLU 99 24.958 5.185 5.558 616 2HB GLU 99 HB1 GLU 99 26.527 5.111 6.348 617 1HG GLU 99 HG2 GLU 99 24.124 4.207 7.848 618 2HG GLU 99 HG1 GLU 99 24.787 3.168 6.589 619 H ARG 100 HN ARG 100 24.085 7.981 5.471 620 HA ARG 100 HA ARG 100 26.341 9.835 5.307 621 1HB ARG 100 HB2 ARG 100 25.963 7.847 3.407 622 2HB ARG 100 HB1 ARG 100 25.227 9.265 2.673 623 1HG ARG 100 HG2 ARG 100 27.932 9.511 3.890 624 2HG ARG 100 HG1 ARG 100 27.759 8.728 2.318 625 1HD ARG 100 HD2 ARG 100 27.924 10.813 1.505 626 2HD ARG 100 HD1 ARG 100 26.230 10.946 1.976 627 HE ARG 100 HE ARG 100 26.862 12.496 3.513 628 1HH1 ARG 100 HH11 ARG 100 29.627 10.487 2.813 629 2HH1 ARG 100 HH12 ARG 100 30.701 11.397 3.820 630 1HH2 ARG 100 HH21 ARG 100 28.273 13.695 4.839 631 2HH2 ARG 100 HH22 ARG 100 29.933 13.219 4.971 632 H LEU 101 HN LEU 101 25.745 11.914 5.064 633 HA LEU 101 HA LEU 101 22.967 12.484 4.289 634 1HB LEU 101 HB2 LEU 101 22.920 14.273 6.010 635 2HB LEU 101 HB1 LEU 101 22.999 12.651 6.674 636 HG LEU 101 HG LEU 101 25.609 13.191 6.685 637 H LYS 102 HN LYS 102 22.729 14.086 2.849 638 HA LYS 102 HA LYS 102 25.061 15.276 1.688 639 1HB LYS 102 HB2 LYS 102 23.358 16.473 0.251 640 2HB LYS 102 HB1 LYS 102 23.313 14.716 0.185 641 1HG LYS 102 HG2 LYS 102 21.560 15.795 2.234 642 2HG LYS 102 HG1 LYS 102 21.172 16.391 0.620 643 1HD LYS 102 HD2 LYS 102 21.258 13.978 -0.145 644 2HD LYS 102 HD1 LYS 102 21.306 13.536 1.563 645 1HE LYS 102 HE2 LYS 102 19.149 15.213 0.288 646 2HE LYS 102 HE1 LYS 102 19.027 13.478 0.570 647 1HZ LYS 102 HZ1 LYS 102 18.055 15.111 2.291 648 2HZ LYS 102 HZ2 LYS 102 19.657 15.290 2.804 649 3HZ LYS 102 HZ3 LYS 102 18.923 13.766 2.839 650 H ASP 103 HN ASP 103 24.729 17.760 1.077 651 HA ASP 103 HA ASP 103 24.098 19.210 3.560 652 1HB ASP 103 HB2 ASP 103 26.026 20.746 2.935 653 2HB ASP 103 HB1 ASP 103 26.470 19.142 3.511 654 H SER 104 HN SER 104 24.699 19.577 0.072 655 HA SER 104 HA SER 104 23.225 22.057 -0.025 656 1HB SER 104 HB2 SER 104 23.617 21.765 -2.544 657 2HB SER 104 HB1 SER 104 25.046 21.968 -1.530 658 HG SER 104 HG SER 104 24.005 19.494 -2.459 659 H PHE 105 HN PHE 105 21.094 22.185 -0.178 660 HA PHE 105 HA PHE 105 19.541 20.721 -2.006 661 1HB PHE 105 HB2 PHE 105 20.118 19.028 -0.071 662 2HB PHE 105 HB1 PHE 105 18.836 19.885 0.781 663 HD1 PHE 105 HD1 PHE 105 19.358 18.565 -2.677 664 HD2 PHE 105 HD2 PHE 105 16.817 18.822 0.727 665 HE1 PHE 105 HE1 PHE 105 17.679 17.188 -3.832 666 HE2 PHE 105 HE2 PHE 105 15.131 17.446 -0.423 667 HZ PHE 105 HZ PHE 105 15.562 16.627 -2.706 668 H GLU 106 HN GLU 106 17.520 21.601 -2.237 669 HA GLU 106 HA GLU 106 16.910 23.857 -0.454 670 1HB GLU 106 HB2 GLU 106 17.255 24.023 -3.075 671 2HB GLU 106 HB1 GLU 106 15.571 23.517 -3.100 672 1HG GLU 106 HG2 GLU 106 16.485 25.838 -1.442 673 2HG GLU 106 HG1 GLU 106 16.080 26.018 -3.148 674 H ASN 107 HN ASN 107 15.573 23.154 1.104 675 HA ASN 107 HA ASN 107 13.662 21.087 0.758 676 1HB ASN 107 HB2 ASN 107 12.798 21.903 2.990 677 2HB ASN 107 HB1 ASN 107 14.503 21.464 2.958 Start of MODEL 15 1 1H MET 1 HT1 MET 1 7.818 -6.914 -7.266 2 2H MET 1 HT2 MET 1 8.632 -5.559 -6.597 3 3H MET 1 HT3 MET 1 7.951 -5.463 -8.169 4 HA MET 1 HA MET 1 6.292 -6.063 -5.839 5 1HB MET 1 HB2 MET 1 5.833 -3.547 -5.861 6 2HB MET 1 HB1 MET 1 7.348 -4.071 -5.141 7 1HG MET 1 HG2 MET 1 7.592 -3.512 -7.981 8 2HG MET 1 HG1 MET 1 7.034 -2.120 -7.054 9 1HE MET 1 HE1 MET 1 9.974 -0.774 -5.345 10 2HE MET 1 HE2 MET 1 8.604 -1.516 -4.519 11 3HE MET 1 HE3 MET 1 8.347 -0.596 -6.003 12 H THR 2 HN THR 2 4.337 -6.578 -6.569 13 HA THR 2 HA THR 2 3.414 -5.365 -9.083 14 HB THR 2 HB THR 2 2.339 -7.480 -9.698 15 HG1 THR 2 HG1 THR 2 2.871 -9.356 -8.525 16 H LEU 3 HN LEU 3 1.775 -4.115 -8.609 17 HA LEU 3 HA LEU 3 0.226 -4.222 -6.271 18 1HB LEU 3 HB2 LEU 3 0.286 -2.148 -7.297 19 2HB LEU 3 HB1 LEU 3 0.038 -2.811 -8.897 20 HG LEU 3 HG LEU 3 -1.842 -1.419 -8.069 21 H ASN 4 HN ASN 4 -1.401 -5.542 -5.704 22 HA ASN 4 HA ASN 4 -3.083 -6.656 -7.815 23 1HB ASN 4 HB2 ASN 4 -1.309 -8.312 -7.307 24 2HB ASN 4 HB1 ASN 4 -1.905 -8.409 -5.658 25 H ILE 5 HN ILE 5 -5.024 -7.647 -7.049 26 HA ILE 5 HA ILE 5 -5.955 -6.516 -4.489 27 HB ILE 5 HB ILE 5 -8.241 -6.728 -6.041 28 H THR 6 HN THR 6 -8.159 -7.533 -3.895 29 HA THR 6 HA THR 6 -8.606 -10.244 -4.686 30 HB THR 6 HB THR 6 -7.727 -9.862 -1.828 31 HG1 THR 6 HG1 THR 6 -5.776 -9.770 -2.561 32 H SER 7 HN SER 7 -10.133 -7.880 -4.600 33 HA SER 7 HA SER 7 -11.747 -7.435 -2.428 34 1HB SER 7 HB2 SER 7 -12.879 -7.475 -5.215 35 2HB SER 7 HB1 SER 7 -13.252 -6.377 -3.889 36 HG SER 7 HG SER 7 -10.940 -5.735 -4.124 37 H LYS 8 HN LYS 8 -12.801 -8.857 -1.227 38 HA LYS 8 HA LYS 8 -13.544 -11.432 -2.041 39 1HB LYS 8 HB2 LYS 8 -14.443 -11.716 0.093 40 2HB LYS 8 HB1 LYS 8 -13.189 -10.507 0.330 41 1HG LYS 8 HG2 LYS 8 -15.125 -8.808 0.005 42 2HG LYS 8 HG1 LYS 8 -16.157 -10.189 0.378 43 1HD LYS 8 HD2 LYS 8 -13.908 -9.909 2.215 44 2HD LYS 8 HD1 LYS 8 -14.984 -8.511 2.217 45 1HE LYS 8 HE2 LYS 8 -16.858 -10.336 2.341 46 2HE LYS 8 HE1 LYS 8 -15.549 -11.348 2.954 47 1HZ LYS 8 HZ1 LYS 8 -17.068 -9.725 4.464 48 2HZ LYS 8 HZ2 LYS 8 -15.722 -8.741 4.185 49 3HZ LYS 8 HZ3 LYS 8 -15.523 -10.263 4.894 50 H GLN 9 HN GLN 9 -15.424 -8.436 -1.914 51 HA GLN 9 HA GLN 9 -17.609 -9.883 -3.245 52 1HB GLN 9 HB2 GLN 9 -19.031 -7.903 -2.312 53 2HB GLN 9 HB1 GLN 9 -18.628 -9.265 -1.279 54 1HG GLN 9 HG2 GLN 9 -16.538 -7.446 -0.938 55 2HG GLN 9 HG1 GLN 9 -18.006 -6.475 -0.974 56 H MET 10 HN MET 10 -17.423 -6.380 -2.869 57 HA MET 10 HA MET 10 -18.114 -5.809 -5.476 58 1HB MET 10 HB2 MET 10 -17.137 -3.543 -5.058 59 2HB MET 10 HB1 MET 10 -18.274 -4.095 -3.841 60 1HG MET 10 HG2 MET 10 -16.730 -4.136 -2.220 61 2HG MET 10 HG1 MET 10 -15.464 -4.724 -3.293 62 1HE MET 10 HE1 MET 10 -15.927 -2.113 -0.932 63 2HE MET 10 HE2 MET 10 -14.520 -1.192 -1.464 64 3HE MET 10 HE3 MET 10 -14.408 -2.942 -1.265 65 H ASP 11 HN ASP 11 -17.098 -6.312 -7.296 66 HA ASP 11 HA ASP 11 -14.439 -7.134 -7.470 67 1HB ASP 11 HB2 ASP 11 -16.261 -6.046 -9.626 68 2HB ASP 11 HB1 ASP 11 -14.718 -6.838 -9.934 69 H ILE 12 HN ILE 12 -13.024 -5.918 -9.322 70 HA ILE 12 HA ILE 12 -12.558 -3.253 -8.183 71 HB ILE 12 HB ILE 12 -10.410 -3.864 -9.893 72 H THR 13 HN THR 13 -12.121 -1.480 -9.509 73 HA THR 13 HA THR 13 -12.715 -1.722 -12.356 74 HB THR 13 HB THR 13 -14.098 0.558 -11.724 75 HG1 THR 13 HG1 THR 13 -14.349 0.393 -9.623 76 HA PRO 14 HA PRO 14 -9.792 1.431 -13.357 77 1HB PRO 14 HB2 PRO 14 -12.045 3.385 -13.625 78 2HB PRO 14 HB1 PRO 14 -10.660 3.120 -14.693 79 1HG PRO 14 HG2 PRO 14 -13.049 2.124 -15.310 80 2HG PRO 14 HG1 PRO 14 -11.570 1.196 -15.617 81 1HD PRO 14 HD2 PRO 14 -13.657 0.798 -13.551 82 2HD PRO 14 HD1 PRO 14 -12.574 -0.387 -14.305 83 H ALA 15 HN ALA 15 -12.431 2.736 -11.336 84 HA ALA 15 HA ALA 15 -11.034 4.820 -10.144 85 1HB ALA 15 HB1 ALA 15 -13.195 5.018 -9.541 86 2HB ALA 15 HB2 ALA 15 -12.693 4.078 -8.137 87 3HB ALA 15 HB3 ALA 15 -13.456 3.275 -9.510 88 H ILE 16 HN ILE 16 -11.890 2.023 -8.127 89 HA ILE 16 HA ILE 16 -9.868 2.332 -6.283 90 HB ILE 16 HB ILE 16 -10.060 -0.274 -6.072 91 H ARG 17 HN ARG 17 -9.851 0.079 -9.054 92 HA ARG 17 HA ARG 17 -7.383 -1.030 -8.895 93 1HB ARG 17 HB2 ARG 17 -9.091 -1.320 -10.743 94 2HB ARG 17 HB1 ARG 17 -8.442 0.140 -11.473 95 1HG ARG 17 HG2 ARG 17 -6.706 -0.943 -12.345 96 2HG ARG 17 HG1 ARG 17 -6.366 -1.787 -10.833 97 1HD ARG 17 HD2 ARG 17 -8.482 -3.181 -11.482 98 2HD ARG 17 HD1 ARG 17 -8.130 -2.591 -13.104 99 HE ARG 17 HE ARG 17 -5.863 -3.751 -11.767 100 1HH1 ARG 17 HH11 ARG 17 -8.652 -4.394 -13.764 101 2HH1 ARG 17 HH12 ARG 17 -7.998 -5.854 -14.424 102 1HH2 ARG 17 HH21 ARG 17 -5.001 -5.672 -12.635 103 2HH2 ARG 17 HH22 ARG 17 -5.926 -6.580 -13.783 104 H GLU 18 HN GLU 18 -8.051 2.055 -10.552 105 HA GLU 18 HA GLU 18 -5.370 2.782 -10.988 106 1HB GLU 18 HB2 GLU 18 -7.204 3.840 -12.199 107 2HB GLU 18 HB1 GLU 18 -7.840 4.516 -10.705 108 1HG GLU 18 HG2 GLU 18 -6.159 6.091 -10.548 109 2HG GLU 18 HG1 GLU 18 -5.063 5.177 -11.584 110 H HIS 19 HN HIS 19 -7.584 3.379 -8.309 111 HA HIS 19 HA HIS 19 -6.026 5.198 -6.848 112 1HB HIS 19 HB2 HIS 19 -8.483 4.346 -6.520 113 2HB HIS 19 HB1 HIS 19 -7.733 3.096 -5.539 114 HD1 HIS 19 HD1 HIS 19 -6.472 6.637 -5.466 115 HD2 HIS 19 HD2 HIS 19 -8.804 4.036 -3.246 116 HE1 HIS 19 HE1 HIS 19 -6.841 7.799 -3.262 117 HE2 HIS 19 HE2 HIS 19 -8.355 6.250 -1.969 118 H LEU 20 HN LEU 20 -6.498 1.747 -6.220 119 HA LEU 20 HA LEU 20 -4.487 1.278 -4.412 120 1HB LEU 20 HB2 LEU 20 -5.231 -0.641 -6.605 121 2HB LEU 20 HB1 LEU 20 -4.682 -1.019 -4.979 122 HG LEU 20 HG LEU 20 -7.330 0.251 -5.690 123 H GLU 21 HN GLU 21 -4.270 1.087 -7.956 124 HA GLU 21 HA GLU 21 -1.549 0.374 -8.060 125 1HB GLU 21 HB2 GLU 21 -3.339 1.755 -10.056 126 2HB GLU 21 HB1 GLU 21 -1.682 1.289 -10.417 127 1HG GLU 21 HG2 GLU 21 -2.235 -1.042 -9.976 128 2HG GLU 21 HG1 GLU 21 -3.892 -0.584 -9.601 129 H GLU 22 HN GLU 22 -3.118 3.553 -8.409 130 HA GLU 22 HA GLU 22 -0.796 5.074 -8.704 131 1HB GLU 22 HB2 GLU 22 -3.528 5.705 -7.618 132 2HB GLU 22 HB1 GLU 22 -2.258 6.921 -7.624 133 1HG GLU 22 HG2 GLU 22 -3.056 5.446 -10.109 134 2HG GLU 22 HG1 GLU 22 -3.887 6.906 -9.574 135 H ARG 23 HN ARG 23 -2.610 4.250 -5.761 136 HA ARG 23 HA ARG 23 -0.981 5.572 -3.923 137 1HB ARG 23 HB2 ARG 23 -2.809 3.206 -3.719 138 2HB ARG 23 HB1 ARG 23 -1.839 3.700 -2.338 139 1HG ARG 23 HG2 ARG 23 -3.886 5.364 -3.786 140 2HG ARG 23 HG1 ARG 23 -4.023 4.670 -2.173 141 1HD ARG 23 HD2 ARG 23 -2.035 6.039 -1.508 142 2HD ARG 23 HD1 ARG 23 -2.141 6.837 -3.076 143 HE ARG 23 HE ARG 23 -3.860 7.238 -0.799 144 1HH1 ARG 23 HH11 ARG 23 -3.538 7.569 -4.259 145 2HH1 ARG 23 HH12 ARG 23 -4.722 8.828 -4.374 146 1HH2 ARG 23 HH21 ARG 23 -5.417 8.895 -0.949 147 2HH2 ARG 23 HH22 ARG 23 -5.788 9.580 -2.497 148 H LEU 24 HN LEU 24 -0.811 2.241 -5.153 149 HA LEU 24 HA LEU 24 1.398 1.440 -3.604 150 1HB LEU 24 HB2 LEU 24 -0.234 0.293 -5.574 151 2HB LEU 24 HB1 LEU 24 1.393 0.212 -6.223 152 HG LEU 24 HG LEU 24 1.630 -0.648 -3.569 153 H ALA 25 HN ALA 25 1.209 2.701 -6.925 154 HA ALA 25 HA ALA 25 3.937 2.735 -7.498 155 1HB ALA 25 HB1 ALA 25 3.097 4.878 -8.889 156 2HB ALA 25 HB2 ALA 25 1.544 4.121 -8.537 157 3HB ALA 25 HB3 ALA 25 2.793 3.216 -9.392 158 H LYS 26 HN LYS 26 1.926 4.944 -5.677 159 HA LYS 26 HA LYS 26 3.917 6.989 -5.423 160 1HB LYS 26 HB2 LYS 26 1.393 7.293 -5.207 161 2HB LYS 26 HB1 LYS 26 1.540 6.565 -3.614 162 1HG LYS 26 HG2 LYS 26 1.858 8.632 -2.861 163 2HG LYS 26 HG1 LYS 26 3.468 8.524 -3.574 164 1HD LYS 26 HD2 LYS 26 2.351 9.344 -5.735 165 2HD LYS 26 HD1 LYS 26 0.993 9.797 -4.702 166 1HE LYS 26 HE2 LYS 26 2.219 11.749 -4.752 167 2HE LYS 26 HE1 LYS 26 2.820 10.985 -3.282 168 1HZ LYS 26 HZ1 LYS 26 4.626 10.033 -4.777 169 2HZ LYS 26 HZ2 LYS 26 4.719 11.681 -4.408 170 3HZ LYS 26 HZ3 LYS 26 4.140 11.185 -5.917 171 H LEU 27 HN LEU 27 2.917 4.166 -3.612 172 HA LEU 27 HA LEU 27 4.562 4.767 -1.328 173 1HB LEU 27 HB2 LEU 27 2.661 2.671 -2.109 174 2HB LEU 27 HB1 LEU 27 4.002 2.093 -1.138 175 HG LEU 27 HG LEU 27 2.001 4.219 -0.380 176 H GLY 28 HN GLY 28 5.191 3.617 -4.425 177 1HA GLY 28 HA2 GLY 28 7.178 1.669 -3.894 178 2HA GLY 28 HA1 GLY 28 7.012 2.589 -5.383 179 H LYS 29 HN LYS 29 7.250 5.168 -4.165 180 HA LYS 29 HA LYS 29 10.101 5.390 -4.121 181 1HB LYS 29 HB2 LYS 29 9.790 7.705 -4.105 182 2HB LYS 29 HB1 LYS 29 8.422 7.100 -5.022 183 1HG LYS 29 HG2 LYS 29 7.120 8.312 -3.693 184 2HG LYS 29 HG1 LYS 29 7.520 7.199 -2.386 185 1HD LYS 29 HD2 LYS 29 9.679 8.761 -2.268 186 2HD LYS 29 HD1 LYS 29 8.535 9.925 -2.939 187 1HE LYS 29 HE2 LYS 29 6.970 9.151 -1.038 188 2HE LYS 29 HE1 LYS 29 8.427 8.470 -0.314 189 1HZ LYS 29 HZ1 LYS 29 7.971 11.319 -1.016 190 2HZ LYS 29 HZ2 LYS 29 9.431 10.697 -0.431 191 3HZ LYS 29 HZ3 LYS 29 8.048 10.663 0.542 192 H TRP 30 HN TRP 30 7.912 4.573 -1.748 193 HA TRP 30 HA TRP 30 9.044 5.961 0.464 194 1HB TRP 30 HB2 TRP 30 6.915 4.007 0.008 195 2HB TRP 30 HB1 TRP 30 7.730 3.820 1.550 196 HD1 TRP 30 HD1 TRP 30 5.490 6.243 -0.374 197 HE1 TRP 30 HE1 TRP 30 4.546 7.975 1.282 198 HE3 TRP 30 HE3 TRP 30 8.229 4.992 3.739 199 HZ2 TRP 30 HZ2 TRP 30 4.925 8.709 3.990 200 HZ3 TRP 30 HZ3 TRP 30 7.895 6.259 5.816 201 HH2 TRP 30 HH2 TRP 30 6.277 8.082 5.935 202 H GLN 31 HN GLN 31 11.268 5.212 -0.479 203 HA GLN 31 HA GLN 31 13.001 3.613 -0.538 204 1HB GLN 31 HB2 GLN 31 14.104 3.751 1.674 205 2HB GLN 31 HB1 GLN 31 13.552 5.310 1.078 206 1HG GLN 31 HG2 GLN 31 11.998 3.645 3.038 207 2HG GLN 31 HG1 GLN 31 13.166 4.874 3.515 208 H THR 32 HN THR 32 10.975 1.941 -0.823 209 HA THR 32 HA THR 32 11.719 -0.295 0.876 210 HB THR 32 HB THR 32 8.940 0.830 0.569 211 HG1 THR 32 HG1 THR 32 10.530 0.047 2.776 212 H GLN 33 HN GLN 33 10.834 -2.349 -0.017 213 HA GLN 33 HA GLN 33 10.421 -2.232 -2.919 214 1HB GLN 33 HB2 GLN 33 11.691 -4.477 -2.924 215 2HB GLN 33 HB1 GLN 33 12.621 -2.989 -2.847 216 1HG GLN 33 HG2 GLN 33 11.855 -4.345 -0.313 217 2HG GLN 33 HG1 GLN 33 13.171 -5.012 -1.278 218 H LEU 34 HN LEU 34 8.266 -2.514 -2.684 219 HA LEU 34 HA LEU 34 6.962 -4.221 -0.978 220 1HB LEU 34 HB2 LEU 34 5.980 -3.673 -3.763 221 2HB LEU 34 HB1 LEU 34 5.037 -3.908 -2.307 222 HG LEU 34 HG LEU 34 6.686 -1.498 -3.045 223 H ILE 35 HN ILE 35 7.854 -6.218 -0.776 224 HA ILE 35 HA ILE 35 8.714 -7.933 -2.767 225 HB ILE 35 HB ILE 35 7.543 -8.528 -0.051 226 H SER 36 HN SER 36 5.486 -7.264 -1.630 227 HA SER 36 HA SER 36 4.234 -8.242 -3.946 228 1HB SER 36 HB2 SER 36 4.556 -10.477 -3.265 229 2HB SER 36 HB1 SER 36 4.272 -10.096 -1.567 230 HG SER 36 HG SER 36 2.150 -10.116 -1.895 231 HA PRO 37 HA PRO 37 1.641 -5.414 -1.569 232 1HB PRO 37 HB2 PRO 37 1.160 -3.694 -3.517 233 2HB PRO 37 HB1 PRO 37 2.766 -3.785 -2.781 234 1HG PRO 37 HG2 PRO 37 1.804 -4.962 -5.361 235 2HG PRO 37 HG1 PRO 37 3.317 -4.111 -5.030 236 1HD PRO 37 HD2 PRO 37 3.026 -6.852 -5.101 237 2HD PRO 37 HD1 PRO 37 4.329 -5.992 -4.257 238 H HIS 38 HN HIS 38 -0.240 -6.398 -1.154 239 HA HIS 38 HA HIS 38 -2.121 -6.867 -3.369 240 1HB HIS 38 HB2 HIS 38 -1.377 -8.488 -1.129 241 2HB HIS 38 HB1 HIS 38 -3.072 -8.088 -1.000 242 HD1 HIS 38 HD1 HIS 38 -1.108 -10.692 -2.158 243 HD2 HIS 38 HD2 HIS 38 -4.267 -8.584 -3.830 244 HE1 HIS 38 HE1 HIS 38 -2.093 -12.219 -3.895 245 HE2 HIS 38 HE2 HIS 38 -4.067 -10.962 -4.819 246 H PHE 39 HN PHE 39 -4.429 -6.682 -2.604 247 HA PHE 39 HA PHE 39 -4.883 -4.817 -0.467 248 1HB PHE 39 HB2 PHE 39 -4.723 -3.889 -3.193 249 2HB PHE 39 HB1 PHE 39 -6.311 -3.597 -2.496 250 HD1 PHE 39 HD1 PHE 39 -6.641 -2.061 -0.703 251 HD2 PHE 39 HD2 PHE 39 -2.743 -2.827 -2.229 252 HE1 PHE 39 HE1 PHE 39 -5.792 -0.088 0.492 253 HE2 PHE 39 HE2 PHE 39 -1.885 -0.852 -1.034 254 HZ PHE 39 HZ PHE 39 -3.413 0.519 0.329 255 H VAL 40 HN VAL 40 -6.379 -5.915 0.593 256 HA VAL 40 HA VAL 40 -8.468 -7.334 -0.831 257 HB VAL 40 HB VAL 40 -7.953 -7.090 2.139 258 H LEU 41 HN LEU 41 -9.652 -5.665 -1.702 259 HA LEU 41 HA LEU 41 -10.737 -3.573 -0.006 260 1HB LEU 41 HB2 LEU 41 -9.892 -3.118 -2.281 261 2HB LEU 41 HB1 LEU 41 -11.142 -4.152 -2.934 262 HG LEU 41 HG LEU 41 -12.635 -2.380 -1.518 263 H ASN 42 HN ASN 42 -12.793 -3.429 0.708 264 HA ASN 42 HA ASN 42 -14.856 -5.117 -0.415 265 1HB ASN 42 HB2 ASN 42 -14.417 -5.326 2.549 266 2HB ASN 42 HB1 ASN 42 -15.441 -6.316 1.519 267 H LYS 43 HN LYS 43 -16.967 -4.733 0.499 268 HA LYS 43 HA LYS 43 -17.302 -2.036 1.665 269 1HB LYS 43 HB2 LYS 43 -18.050 -1.481 -0.416 270 2HB LYS 43 HB1 LYS 43 -18.340 -3.151 -0.880 271 1HG LYS 43 HG2 LYS 43 -20.433 -3.142 0.418 272 2HG LYS 43 HG1 LYS 43 -20.147 -1.460 0.858 273 1HD LYS 43 HD2 LYS 43 -19.943 -1.222 -1.794 274 2HD LYS 43 HD1 LYS 43 -21.005 -2.630 -1.730 275 1HE LYS 43 HE2 LYS 43 -21.494 0.035 -0.403 276 2HE LYS 43 HE1 LYS 43 -22.297 -0.568 -1.852 277 1HZ LYS 43 HZ1 LYS 43 -23.086 -2.465 -0.441 278 2HZ LYS 43 HZ2 LYS 43 -23.746 -0.958 -0.049 279 3HZ LYS 43 HZ3 LYS 43 -22.520 -1.618 0.911 280 H VAL 44 HN VAL 44 -19.575 -1.774 2.512 281 HA VAL 44 HA VAL 44 -21.091 -4.117 3.075 282 HB VAL 44 HB VAL 44 -20.968 -3.712 5.575 283 HA PRO 45 HA PRO 45 -24.493 -1.371 3.382 284 1HB PRO 45 HB2 PRO 45 -25.622 -2.182 5.817 285 2HB PRO 45 HB1 PRO 45 -25.987 -2.851 4.225 286 1HG PRO 45 HG2 PRO 45 -24.151 -3.873 6.336 287 2HG PRO 45 HG1 PRO 45 -25.172 -4.773 5.201 288 1HD PRO 45 HD2 PRO 45 -22.526 -4.586 4.843 289 2HD PRO 45 HD1 PRO 45 -23.644 -4.555 3.464 290 H ASN 46 HN ASN 46 -22.761 -1.824 6.439 291 HA ASN 46 HA ASN 46 -23.504 0.780 7.415 292 1HB ASN 46 HB2 ASN 46 -21.729 -1.412 8.460 293 2HB ASN 46 HB1 ASN 46 -21.818 0.159 9.251 294 H GLY 47 HN GLY 47 -21.420 0.027 5.028 295 1HA GLY 47 HA2 GLY 47 -20.194 2.309 4.565 296 2HA GLY 47 HA1 GLY 47 -19.250 1.742 5.926 297 H PHE 48 HN PHE 48 -17.436 1.680 4.683 298 HA PHE 48 HA PHE 48 -17.260 -0.549 2.777 299 1HB PHE 48 HB2 PHE 48 -15.985 2.155 2.733 300 2HB PHE 48 HB1 PHE 48 -15.284 0.829 1.859 301 HD1 PHE 48 HD1 PHE 48 -18.044 3.201 2.019 302 HD2 PHE 48 HD2 PHE 48 -16.356 -0.073 -0.085 303 HE1 PHE 48 HE1 PHE 48 -19.492 3.698 0.092 304 HE2 PHE 48 HE2 PHE 48 -17.798 0.400 -2.015 305 HZ PHE 48 HZ PHE 48 -19.362 2.290 -1.931 306 H SER 49 HN SER 49 -15.759 -2.075 3.267 307 HA SER 49 HA SER 49 -13.824 -1.416 5.375 308 1HB SER 49 HB2 SER 49 -13.989 -4.224 5.121 309 2HB SER 49 HB1 SER 49 -14.501 -3.225 6.472 310 HG SER 49 HG SER 49 -16.520 -2.956 5.306 311 H VAL 50 HN VAL 50 -11.838 -1.353 4.783 312 HA VAL 50 HA VAL 50 -11.014 -2.824 2.361 313 HB VAL 50 HB VAL 50 -9.438 -0.429 3.087 314 H GLU 51 HN GLU 51 -8.837 -3.584 2.321 315 HA GLU 51 HA GLU 51 -7.236 -3.424 4.730 316 1HB GLU 51 HB2 GLU 51 -8.519 -5.287 5.396 317 2HB GLU 51 HB1 GLU 51 -8.528 -5.965 3.782 318 1HG GLU 51 HG2 GLU 51 -6.700 -7.150 4.182 319 2HG GLU 51 HG1 GLU 51 -5.834 -5.733 4.773 320 H ALA 52 HN ALA 52 -5.102 -3.553 4.290 321 HA ALA 52 HA ALA 52 -4.364 -4.300 1.535 322 1HB ALA 52 HB1 ALA 52 -2.934 -2.242 3.198 323 2HB ALA 52 HB2 ALA 52 -4.241 -1.844 2.083 324 3HB ALA 52 HB3 ALA 52 -2.751 -2.567 1.475 325 H SER 53 HN SER 53 -2.252 -5.159 1.219 326 HA SER 53 HA SER 53 -0.728 -6.024 3.516 327 1HB SER 53 HB2 SER 53 -1.916 -8.071 1.630 328 2HB SER 53 HB1 SER 53 -0.817 -8.401 2.968 329 HG SER 53 HG SER 53 -3.444 -7.343 3.148 330 H ILE 54 HN ILE 54 1.178 -5.219 2.862 331 HA ILE 54 HA ILE 54 2.151 -5.995 0.188 332 HB ILE 54 HB ILE 54 2.839 -3.403 1.562 333 H GLY 55 HN GLY 55 3.783 -7.391 0.416 334 1HA GLY 55 HA2 GLY 55 5.242 -7.766 2.774 335 2HA GLY 55 HA1 GLY 55 5.659 -8.415 1.220 336 H THR 56 HN THR 56 7.151 -7.189 3.411 337 HA THR 56 HA THR 56 8.799 -5.438 1.769 338 HB THR 56 HB THR 56 8.746 -3.611 3.074 339 HG1 THR 56 HG1 THR 56 8.065 -4.643 5.514 340 HA PRO 57 HA PRO 57 12.035 -8.039 3.397 341 1HB PRO 57 HB2 PRO 57 13.713 -5.597 3.338 342 2HB PRO 57 HB1 PRO 57 13.992 -7.171 2.590 343 1HG PRO 57 HG2 PRO 57 13.267 -5.025 1.156 344 2HG PRO 57 HG1 PRO 57 12.744 -6.660 0.729 345 1HD PRO 57 HD2 PRO 57 11.215 -4.436 1.976 346 2HD PRO 57 HD1 PRO 57 10.670 -5.734 0.895 347 H LEU 58 HN LEU 58 10.900 -5.105 4.817 348 HA LEU 58 HA LEU 58 12.418 -5.554 7.274 349 1HB LEU 58 HB2 LEU 58 10.898 -3.258 6.125 350 2HB LEU 58 HB1 LEU 58 11.058 -3.358 7.867 351 HG LEU 58 HG LEU 58 12.807 -1.955 7.188 352 H GLY 59 HN GLY 59 9.272 -5.937 5.925 353 1HA GLY 59 HA2 GLY 59 8.248 -7.667 7.735 354 2HA GLY 59 HA1 GLY 59 7.872 -6.111 8.435 355 H ASN 60 HN ASN 60 6.392 -8.447 6.955 356 HA ASN 60 HA ASN 60 5.215 -7.485 4.630 357 1HB ASN 60 HB2 ASN 60 3.852 -9.147 6.747 358 2HB ASN 60 HB1 ASN 60 3.430 -9.056 5.045 359 H LEU 61 HN LEU 61 4.228 -5.575 4.390 360 HA LEU 61 HA LEU 61 3.014 -4.171 6.556 361 1HB LEU 61 HB2 LEU 61 3.018 -3.716 3.576 362 2HB LEU 61 HB1 LEU 61 2.095 -2.706 4.663 363 HG LEU 61 HG LEU 61 4.960 -2.996 5.325 364 H LEU 62 HN LEU 62 0.894 -3.946 7.084 365 HA LEU 62 HA LEU 62 -1.162 -5.112 5.424 366 1HB LEU 62 HB2 LEU 62 -0.985 -5.982 8.292 367 2HB LEU 62 HB1 LEU 62 -2.032 -6.606 7.037 368 HG LEU 62 HG LEU 62 0.962 -6.933 6.960 369 H ALA 63 HN ALA 63 -3.253 -4.402 5.984 370 HA ALA 63 HA ALA 63 -3.670 -2.635 8.201 371 1HB ALA 63 HB1 ALA 63 -2.598 -0.981 6.943 372 2HB ALA 63 HB2 ALA 63 -4.315 -0.694 6.665 373 3HB ALA 63 HB3 ALA 63 -3.348 -1.511 5.438 374 H SER 64 HN SER 64 -5.883 -1.720 8.199 375 HA SER 64 HA SER 64 -7.839 -2.636 6.367 376 1HB SER 64 HB2 SER 64 -8.971 -4.052 8.334 377 2HB SER 64 HB1 SER 64 -7.879 -4.782 7.158 378 HG SER 64 HG SER 64 -6.206 -4.591 8.650 379 H ALA 65 HN ALA 65 -9.722 -1.505 6.616 380 HA ALA 65 HA ALA 65 -10.406 -0.319 9.163 381 1HB ALA 65 HB1 ALA 65 -8.794 1.296 8.381 382 2HB ALA 65 HB2 ALA 65 -10.412 1.995 8.308 383 3HB ALA 65 HB3 ALA 65 -9.629 1.429 6.833 384 H THR 66 HN THR 66 -12.475 0.704 9.180 385 HA THR 66 HA THR 66 -14.184 0.088 6.863 386 HB THR 66 HB THR 66 -14.886 -0.332 9.776 387 HG1 THR 66 HG1 THR 66 -14.067 -2.216 9.457 388 H SER 67 HN SER 67 -15.431 1.773 6.210 389 HA SER 67 HA SER 67 -16.435 3.721 8.040 390 1HB SER 67 HB2 SER 67 -13.852 4.187 6.900 391 2HB SER 67 HB1 SER 67 -14.984 5.350 6.228 392 HG SER 67 HG SER 67 -14.236 6.227 8.106 393 H ASP 68 HN ASP 68 -17.649 5.452 6.914 394 HA ASP 68 HA ASP 68 -19.069 4.326 4.666 395 1HB ASP 68 HB2 ASP 68 -20.123 5.584 6.630 396 2HB ASP 68 HB1 ASP 68 -19.518 7.054 5.871 397 H ASP 69 HN ASP 69 -16.217 5.848 4.790 398 HA ASP 69 HA ASP 69 -16.707 7.334 2.297 399 1HB ASP 69 HB2 ASP 69 -14.911 7.918 4.625 400 2HB ASP 69 HB1 ASP 69 -14.489 8.515 3.022 401 H MET 70 HN MET 70 -16.264 5.794 0.848 402 HA MET 70 HA MET 70 -14.594 3.722 0.745 403 1HB MET 70 HB2 MET 70 -15.832 5.483 -1.166 404 2HB MET 70 HB1 MET 70 -14.291 4.907 -1.779 405 1HG MET 70 HG2 MET 70 -15.643 2.697 -0.643 406 2HG MET 70 HG1 MET 70 -16.791 3.563 -1.661 407 1HE MET 70 HE1 MET 70 -12.670 2.368 -2.549 408 2HE MET 70 HE2 MET 70 -13.531 0.825 -2.506 409 3HE MET 70 HE3 MET 70 -13.627 1.923 -1.128 410 H TYR 71 HN TYR 71 -13.495 6.747 -0.787 411 HA TYR 71 HA TYR 71 -10.819 5.894 -0.867 412 1HB TYR 71 HB2 TYR 71 -12.263 8.367 -1.559 413 2HB TYR 71 HB1 TYR 71 -10.542 8.550 -1.210 414 HD1 TYR 71 HD1 TYR 71 -10.130 9.169 -3.590 415 HD2 TYR 71 HD2 TYR 71 -11.738 5.381 -2.510 416 HE1 TYR 71 HE1 TYR 71 -9.572 8.292 -5.821 417 HE2 TYR 71 HE2 TYR 71 -11.178 4.489 -4.712 418 HH TYR 71 HH TYR 71 -10.745 5.280 -6.961 419 H LYS 72 HN LYS 72 -12.616 7.396 1.655 420 HA LYS 72 HA LYS 72 -10.321 8.414 3.050 421 1HB LYS 72 HB2 LYS 72 -12.657 9.236 3.386 422 2HB LYS 72 HB1 LYS 72 -12.972 7.718 4.194 423 1HG LYS 72 HG2 LYS 72 -11.810 8.282 6.054 424 2HG LYS 72 HG1 LYS 72 -10.675 9.293 5.157 425 1HD LYS 72 HD2 LYS 72 -11.968 11.140 5.346 426 2HD LYS 72 HD1 LYS 72 -13.472 10.228 5.208 427 1HE LYS 72 HE2 LYS 72 -11.719 10.230 7.658 428 2HE LYS 72 HE1 LYS 72 -13.099 11.305 7.436 429 1HZ LYS 72 HZ1 LYS 72 -13.099 8.359 7.703 430 2HZ LYS 72 HZ2 LYS 72 -14.429 9.197 7.077 431 3HZ LYS 72 HZ3 LYS 72 -13.907 9.501 8.656 432 H ALA 73 HN ALA 73 -12.274 5.486 3.026 433 HA ALA 73 HA ALA 73 -11.089 4.190 5.243 434 1HB ALA 73 HB1 ALA 73 -12.194 2.253 4.536 435 2HB ALA 73 HB2 ALA 73 -12.099 2.706 2.834 436 3HB ALA 73 HB3 ALA 73 -13.221 3.543 3.907 437 H ILE 74 HN ILE 74 -10.492 4.176 1.770 438 HA ILE 74 HA ILE 74 -8.166 2.549 1.812 439 HB ILE 74 HB ILE 74 -9.334 4.529 -0.127 440 H ASN 75 HN ASN 75 -8.905 5.923 2.193 441 HA ASN 75 HA ASN 75 -6.374 7.079 2.225 442 1HB ASN 75 HB2 ASN 75 -8.885 7.971 2.356 443 2HB ASN 75 HB1 ASN 75 -8.525 8.067 4.069 444 H GLU 76 HN GLU 76 -8.310 5.522 4.710 445 HA GLU 76 HA GLU 76 -6.521 5.998 6.872 446 1HB GLU 76 HB2 GLU 76 -9.102 4.984 6.572 447 2HB GLU 76 HB1 GLU 76 -8.168 3.613 7.156 448 1HG GLU 76 HG2 GLU 76 -7.721 6.151 8.573 449 2HG GLU 76 HG1 GLU 76 -9.326 5.443 8.749 450 H VAL 77 HN VAL 77 -7.239 3.070 4.944 451 HA VAL 77 HA VAL 77 -5.380 1.336 5.994 452 HB VAL 77 HB VAL 77 -5.841 1.495 3.026 453 H GLU 78 HN GLU 78 -4.925 3.578 3.275 454 HA GLU 78 HA GLU 78 -2.242 3.029 2.807 455 1HB GLU 78 HB2 GLU 78 -4.084 4.690 1.678 456 2HB GLU 78 HB1 GLU 78 -3.032 5.852 2.474 457 1HG GLU 78 HG2 GLU 78 -1.607 3.793 0.971 458 2HG GLU 78 HG1 GLU 78 -2.648 4.819 -0.015 459 H GLU 79 HN GLU 79 -3.799 4.993 5.221 460 HA GLU 79 HA GLU 79 -1.471 6.375 6.099 461 1HB GLU 79 HB2 GLU 79 -4.138 6.639 6.595 462 2HB GLU 79 HB1 GLU 79 -3.600 5.867 8.080 463 1HG GLU 79 HG2 GLU 79 -2.867 7.806 8.836 464 2HG GLU 79 HG1 GLU 79 -1.764 7.935 7.466 465 H LYS 80 HN LYS 80 -3.158 3.430 7.136 466 HA LYS 80 HA LYS 80 -1.377 2.870 9.288 467 1HB LYS 80 HB2 LYS 80 -3.726 1.689 8.148 468 2HB LYS 80 HB1 LYS 80 -2.502 0.443 8.325 469 1HG LYS 80 HG2 LYS 80 -2.712 0.397 10.543 470 2HG LYS 80 HG1 LYS 80 -2.739 2.157 10.668 471 1HD LYS 80 HD2 LYS 80 -4.992 2.249 10.669 472 2HD LYS 80 HD1 LYS 80 -5.146 0.952 9.483 473 1HE LYS 80 HE2 LYS 80 -4.785 -0.713 11.178 474 2HE LYS 80 HE1 LYS 80 -4.424 0.527 12.378 475 1HZ LYS 80 HZ1 LYS 80 -6.649 1.233 12.400 476 2HZ LYS 80 HZ2 LYS 80 -6.726 -0.455 12.443 477 3HZ LYS 80 HZ3 LYS 80 -7.039 0.367 11.000 478 H LEU 81 HN LEU 81 -1.556 1.921 5.901 479 HA LEU 81 HA LEU 81 0.587 0.074 5.959 480 1HB LEU 81 HB2 LEU 81 -1.223 1.133 4.019 481 2HB LEU 81 HB1 LEU 81 0.401 1.282 3.379 482 HG LEU 81 HG LEU 81 -0.987 -0.845 2.868 483 H GLU 82 HN GLU 82 0.420 3.545 5.149 484 HA GLU 82 HA GLU 82 3.186 3.779 4.529 485 1HB GLU 82 HB2 GLU 82 1.247 5.383 3.959 486 2HB GLU 82 HB1 GLU 82 1.500 6.040 5.567 487 1HG GLU 82 HG2 GLU 82 3.263 7.209 4.911 488 2HG GLU 82 HG1 GLU 82 3.982 5.815 4.110 489 H ARG 83 HN ARG 83 1.287 4.603 7.422 490 HA ARG 83 HA ARG 83 3.369 5.483 9.046 491 1HB ARG 83 HB2 ARG 83 0.858 5.499 9.534 492 2HB ARG 83 HB1 ARG 83 1.050 3.829 10.052 493 1HG ARG 83 HG2 ARG 83 2.735 4.602 11.710 494 2HG ARG 83 HG1 ARG 83 2.350 6.264 11.254 495 1HD ARG 83 HD2 ARG 83 -0.013 5.829 11.869 496 2HD ARG 83 HD1 ARG 83 0.462 4.229 12.434 497 HE ARG 83 HE ARG 83 1.955 6.366 13.643 498 1HH1 ARG 83 HH11 ARG 83 -0.963 4.459 13.823 499 2HH1 ARG 83 HH12 ARG 83 -1.187 4.735 15.518 500 1HH2 ARG 83 HH21 ARG 83 1.661 6.730 15.872 501 2HH2 ARG 83 HH22 ARG 83 0.301 6.025 16.681 502 H GLN 84 HN GLN 84 2.081 2.209 8.580 503 HA GLN 84 HA GLN 84 3.862 0.897 10.318 504 1HB GLN 84 HB2 GLN 84 2.175 0.025 7.999 505 2HB GLN 84 HB1 GLN 84 3.330 -1.096 8.710 506 1HG GLN 84 HG2 GLN 84 2.255 -0.787 10.888 507 2HG GLN 84 HG1 GLN 84 1.072 0.280 10.137 508 H LEU 85 HN LEU 85 4.057 1.849 6.933 509 HA LEU 85 HA LEU 85 6.403 0.501 6.201 510 1HB LEU 85 HB2 LEU 85 4.802 2.697 5.183 511 2HB LEU 85 HB1 LEU 85 6.509 3.007 4.946 512 HG LEU 85 HG LEU 85 5.506 0.335 4.132 513 H ASN 86 HN ASN 86 5.904 3.759 7.506 514 HA ASN 86 HA ASN 86 8.589 4.485 7.824 515 1HB ASN 86 HB2 ASN 86 6.357 5.864 8.120 516 2HB ASN 86 HB1 ASN 86 6.518 5.371 9.804 517 H LYS 87 HN LYS 87 6.411 2.556 9.767 518 HA LYS 87 HA LYS 87 7.952 2.401 12.125 519 1HB LYS 87 HB2 LYS 87 5.575 1.213 11.106 520 2HB LYS 87 HB1 LYS 87 6.631 -0.093 11.634 521 1HG LYS 87 HG2 LYS 87 6.010 0.272 13.725 522 2HG LYS 87 HG1 LYS 87 6.694 1.897 13.641 523 1HD LYS 87 HD2 LYS 87 4.342 2.248 12.328 524 2HD LYS 87 HD1 LYS 87 3.894 1.011 13.505 525 1HE LYS 87 HE2 LYS 87 3.486 2.926 14.706 526 2HE LYS 87 HE1 LYS 87 5.148 2.578 15.181 527 1HZ LYS 87 HZ1 LYS 87 4.424 4.952 14.373 528 2HZ LYS 87 HZ2 LYS 87 4.714 4.288 12.845 529 3HZ LYS 87 HZ3 LYS 87 5.951 4.330 13.998 530 H LEU 88 HN LEU 88 7.723 0.234 9.313 531 HA LEU 88 HA LEU 88 9.644 -1.622 10.038 532 1HB LEU 88 HB2 LEU 88 8.676 -0.596 7.403 533 2HB LEU 88 HB1 LEU 88 10.084 -1.627 7.428 534 HG LEU 88 HG LEU 88 8.887 -3.505 7.891 535 H GLN 89 HN GLN 89 10.083 1.331 8.089 536 HA GLN 89 HA GLN 89 12.892 1.131 7.916 537 1HB GLN 89 HB2 GLN 89 11.076 3.538 7.718 538 2HB GLN 89 HB1 GLN 89 12.795 3.573 7.352 539 1HG GLN 89 HG2 GLN 89 12.475 2.734 5.325 540 2HG GLN 89 HG1 GLN 89 11.440 1.448 5.936 541 H HIS 90 HN HIS 90 10.759 2.353 10.368 542 HA HIS 90 HA HIS 90 12.695 3.866 11.816 543 1HB HIS 90 HB2 HIS 90 9.940 2.829 12.369 544 2HB HIS 90 HB1 HIS 90 10.913 3.436 13.703 545 HD1 HIS 90 HD1 HIS 90 12.223 5.797 12.010 546 HD2 HIS 90 HD2 HIS 90 8.168 4.957 12.343 547 HE1 HIS 90 HE1 HIS 90 11.045 7.959 11.499 548 HE2 HIS 90 HE2 HIS 90 8.594 7.445 11.782 549 H LYS 91 HN LYS 91 11.018 0.870 12.680 550 HA LYS 91 HA LYS 91 11.533 -0.780 14.128 551 1HB LYS 91 HB2 LYS 91 13.440 -2.082 13.517 552 2HB LYS 91 HB1 LYS 91 12.792 -1.370 12.047 553 1HG LYS 91 HG2 LYS 91 14.893 0.215 13.346 554 2HG LYS 91 HG1 LYS 91 15.408 -1.364 12.758 555 1HD LYS 91 HD2 LYS 91 13.728 0.226 10.922 556 2HD LYS 91 HD1 LYS 91 15.353 0.844 11.226 557 1HE LYS 91 HE2 LYS 91 16.017 -1.669 10.792 558 2HE LYS 91 HE1 LYS 91 14.489 -1.686 9.913 559 1HZ LYS 91 HZ1 LYS 91 16.945 -0.180 9.339 560 2HZ LYS 91 HZ2 LYS 91 15.459 0.457 8.844 561 3HZ LYS 91 HZ3 LYS 91 15.955 -1.061 8.287 562 H SER 92 HN SER 92 11.680 1.533 15.478 563 HA SER 92 HA SER 92 14.048 1.174 17.196 564 1HB SER 92 HB2 SER 92 13.978 3.345 15.885 565 2HB SER 92 HB1 SER 92 12.553 3.777 16.830 566 HG SER 92 HG SER 92 15.017 3.040 18.014 567 H GLU 93 HN GLU 93 13.285 2.773 19.304 568 HA GLU 93 HA GLU 93 11.101 1.185 20.431 569 1HB GLU 93 HB2 GLU 93 13.535 1.763 21.462 570 2HB GLU 93 HB1 GLU 93 12.589 3.072 22.157 571 1HG GLU 93 HG2 GLU 93 11.048 1.462 23.130 572 2HG GLU 93 HG1 GLU 93 11.961 0.139 22.406 573 H SER 94 HN SER 94 10.340 3.157 18.599 574 HA SER 94 HA SER 94 8.862 4.864 18.328 575 1HB SER 94 HB2 SER 94 8.217 4.276 21.228 576 2HB SER 94 HB1 SER 94 7.227 5.246 20.138 577 HG SER 94 HG SER 94 6.335 3.318 19.887 578 H ARG 95 HN ARG 95 11.615 5.378 19.336 579 HA ARG 95 HA ARG 95 11.162 8.152 20.126 580 1HB ARG 95 HB2 ARG 95 13.059 6.304 21.588 581 2HB ARG 95 HB1 ARG 95 12.901 8.033 21.863 582 1HG ARG 95 HG2 ARG 95 10.597 6.139 22.198 583 2HG ARG 95 HG1 ARG 95 11.733 6.497 23.500 584 1HD ARG 95 HD2 ARG 95 11.195 8.885 23.289 585 2HD ARG 95 HD1 ARG 95 10.035 8.502 22.018 586 HE ARG 95 HE ARG 95 9.420 7.010 24.322 587 1HH1 ARG 95 HH11 ARG 95 9.345 10.294 23.143 588 2HH1 ARG 95 HH12 ARG 95 8.018 10.760 24.155 589 1HH2 ARG 95 HH21 ARG 95 7.675 7.621 25.652 590 2HH2 ARG 95 HH22 ARG 95 7.070 9.242 25.580 591 H ARG 96 HN ARG 96 13.990 5.998 19.859 592 HA ARG 96 HA ARG 96 15.908 6.151 18.647 593 1HB ARG 96 HB2 ARG 96 13.799 6.364 16.863 594 2HB ARG 96 HB1 ARG 96 14.837 7.715 16.428 595 1HG ARG 96 HG2 ARG 96 16.697 5.822 16.597 596 2HG ARG 96 HG1 ARG 96 15.309 4.804 16.206 597 1HD ARG 96 HD2 ARG 96 14.991 6.823 14.424 598 2HD ARG 96 HD1 ARG 96 16.748 6.767 14.554 599 HE ARG 96 HE ARG 96 15.110 4.924 13.185 600 1HH1 ARG 96 HH11 ARG 96 17.932 5.044 15.234 601 2HH1 ARG 96 HH12 ARG 96 18.620 3.595 14.584 602 1HH2 ARG 96 HH21 ARG 96 16.013 3.017 12.328 603 2HH2 ARG 96 HH22 ARG 96 17.531 2.444 12.934 604 H ALA 97 HN ALA 97 17.285 7.840 17.283 605 HA ALA 97 HA ALA 97 16.940 10.564 18.232 606 1HB ALA 97 HB1 ALA 97 18.951 10.733 19.431 607 2HB ALA 97 HB2 ALA 97 19.535 9.179 18.836 608 3HB ALA 97 HB3 ALA 97 18.210 9.237 19.998 609 H ASP 98 HN ASP 98 17.272 11.805 16.519 610 HA ASP 98 HA ASP 98 19.031 10.854 14.380 611 1HB ASP 98 HB2 ASP 98 17.085 13.169 14.363 612 2HB ASP 98 HB1 ASP 98 17.945 12.518 12.971 613 H GLU 99 HN GLU 99 20.008 12.013 16.922 614 HA GLU 99 HA GLU 99 21.689 13.377 17.616 615 1HB GLU 99 HB2 GLU 99 22.143 14.112 14.729 616 2HB GLU 99 HB1 GLU 99 23.311 14.116 16.045 617 1HG GLU 99 HG2 GLU 99 22.650 11.536 16.091 618 2HG GLU 99 HG1 GLU 99 22.312 11.879 14.394 619 H ARG 100 HN ARG 100 18.967 14.380 17.292 620 HA ARG 100 HA ARG 100 19.377 17.065 17.955 621 1HB ARG 100 HB2 ARG 100 18.235 18.109 15.956 622 2HB ARG 100 HB1 ARG 100 19.881 17.552 15.686 623 1HG ARG 100 HG2 ARG 100 19.164 15.694 14.445 624 2HG ARG 100 HG1 ARG 100 17.495 15.869 14.994 625 1HD ARG 100 HD2 ARG 100 17.525 16.675 12.781 626 2HD ARG 100 HD1 ARG 100 17.486 18.107 13.808 627 HE ARG 100 HE ARG 100 19.699 17.194 12.152 628 1HH1 ARG 100 HH11 ARG 100 18.554 19.441 14.572 629 2HH1 ARG 100 HH12 ARG 100 19.837 20.571 14.304 630 1HH2 ARG 100 HH21 ARG 100 21.382 18.683 11.804 631 2HH2 ARG 100 HH22 ARG 100 21.440 20.144 12.735 632 H LEU 101 HN LEU 101 17.611 17.861 18.965 633 HA LEU 101 HA LEU 101 14.967 16.840 18.363 634 1HB LEU 101 HB2 LEU 101 15.813 15.163 19.914 635 2HB LEU 101 HB1 LEU 101 16.248 16.415 21.062 636 HG LEU 101 HG LEU 101 13.472 16.689 20.456 637 H LYS 102 HN LYS 102 16.445 18.395 21.208 638 HA LYS 102 HA LYS 102 15.322 20.959 20.525 639 1HB LYS 102 HB2 LYS 102 13.976 19.148 22.408 640 2HB LYS 102 HB1 LYS 102 14.260 20.764 23.042 641 1HG LYS 102 HG2 LYS 102 13.003 21.764 21.301 642 2HG LYS 102 HG1 LYS 102 12.935 20.253 20.394 643 1HD LYS 102 HD2 LYS 102 11.653 19.266 22.309 644 2HD LYS 102 HD1 LYS 102 11.580 20.884 23.011 645 1HE LYS 102 HE2 LYS 102 9.549 20.610 21.853 646 2HE LYS 102 HE1 LYS 102 10.548 21.632 20.819 647 1HZ LYS 102 HZ1 LYS 102 10.296 20.164 19.201 648 2HZ LYS 102 HZ2 LYS 102 9.357 19.174 20.200 649 3HZ LYS 102 HZ3 LYS 102 11.034 18.962 20.136 650 H ASP 103 HN ASP 103 16.630 19.013 23.203 651 HA ASP 103 HA ASP 103 18.296 19.407 24.701 652 1HB ASP 103 HB2 ASP 103 19.127 21.024 22.335 653 2HB ASP 103 HB1 ASP 103 19.994 21.262 23.849 654 H SER 104 HN SER 104 16.988 20.233 26.327 655 HA SER 104 HA SER 104 16.833 23.168 26.498 656 1HB SER 104 HB2 SER 104 14.903 22.915 27.906 657 2HB SER 104 HB1 SER 104 14.664 21.886 26.493 658 HG SER 104 HG SER 104 14.910 20.132 27.704 659 H PHE 105 HN PHE 105 17.880 20.256 28.106 660 HA PHE 105 HA PHE 105 19.220 19.889 29.905 661 1HB PHE 105 HB2 PHE 105 19.964 22.636 29.048 662 2HB PHE 105 HB1 PHE 105 20.503 22.122 30.643 663 HD1 PHE 105 HD1 PHE 105 22.420 20.840 30.869 664 HD2 PHE 105 HD2 PHE 105 20.519 21.097 27.072 665 HE1 PHE 105 HE1 PHE 105 24.311 19.644 29.846 666 HE2 PHE 105 HE2 PHE 105 22.405 19.900 26.042 667 HZ PHE 105 HZ PHE 105 24.305 19.172 27.430 668 H GLU 106 HN GLU 106 16.415 21.015 30.176 669 HA GLU 106 HA GLU 106 16.208 20.953 32.945 670 1HB GLU 106 HB2 GLU 106 17.273 23.385 32.169 671 2HB GLU 106 HB1 GLU 106 15.562 23.742 32.354 672 1HG GLU 106 HG2 GLU 106 15.634 22.813 34.628 673 2HG GLU 106 HG1 GLU 106 17.363 22.525 34.436 674 H ASN 107 HN ASN 107 14.016 22.218 33.610 675 HA ASN 107 HA ASN 107 12.052 21.474 31.544 676 1HB ASN 107 HB2 ASN 107 12.267 20.343 33.984 677 2HB ASN 107 HB1 ASN 107 11.181 21.673 34.371 Start of MODEL 16 1 1H MET 1 HT1 MET 1 5.698 -5.695 -9.824 2 2H MET 1 HT2 MET 1 6.712 -5.187 -8.535 3 3H MET 1 HT3 MET 1 5.718 -4.048 -9.348 4 HA MET 1 HA MET 1 4.840 -6.296 -7.667 5 1HB MET 1 HB2 MET 1 4.758 -3.288 -7.323 6 2HB MET 1 HB1 MET 1 4.000 -4.440 -6.237 7 1HG MET 1 HG2 MET 1 5.886 -4.379 -5.077 8 2HG MET 1 HG1 MET 1 6.588 -5.343 -6.375 9 1HE MET 1 HE1 MET 1 6.350 -0.905 -6.866 10 2HE MET 1 HE2 MET 1 6.653 -1.202 -5.155 11 3HE MET 1 HE3 MET 1 5.257 -1.935 -5.942 12 H THR 2 HN THR 2 3.501 -3.213 -8.830 13 HA THR 2 HA THR 2 1.674 -2.734 -10.100 14 HB THR 2 HB THR 2 1.082 -5.651 -10.475 15 HG1 THR 2 HG1 THR 2 3.080 -5.727 -11.188 16 H LEU 3 HN LEU 3 1.676 -4.379 -7.260 17 HA LEU 3 HA LEU 3 0.159 -4.783 -5.606 18 1HB LEU 3 HB2 LEU 3 0.079 -2.366 -5.666 19 2HB LEU 3 HB1 LEU 3 -1.134 -2.406 -6.929 20 HG LEU 3 HG LEU 3 -1.718 -3.720 -4.309 21 H ASN 4 HN ASN 4 -1.028 -6.565 -5.593 22 HA ASN 4 HA ASN 4 -3.028 -6.996 -7.673 23 1HB ASN 4 HB2 ASN 4 -2.462 -8.950 -5.472 24 2HB ASN 4 HB1 ASN 4 -2.998 -9.260 -7.117 25 H ILE 5 HN ILE 5 -5.206 -7.568 -7.178 26 HA ILE 5 HA ILE 5 -6.122 -6.651 -4.532 27 HB ILE 5 HB ILE 5 -7.749 -6.203 -7.023 28 H THR 6 HN THR 6 -7.819 -7.739 -3.610 29 HA THR 6 HA THR 6 -8.600 -10.240 -4.951 30 HB THR 6 HB THR 6 -8.933 -9.722 -2.009 31 HG1 THR 6 HG1 THR 6 -6.882 -10.367 -1.638 32 H SER 7 HN SER 7 -9.996 -8.128 -2.445 33 HA SER 7 HA SER 7 -12.127 -7.458 -2.047 34 1HB SER 7 HB2 SER 7 -12.562 -7.302 -5.011 35 2HB SER 7 HB1 SER 7 -13.109 -6.200 -3.750 36 HG SER 7 HG SER 7 -11.421 -5.182 -4.690 37 H LYS 8 HN LYS 8 -13.244 -9.099 -1.169 38 HA LYS 8 HA LYS 8 -14.040 -11.434 -2.514 39 1HB LYS 8 HB2 LYS 8 -15.174 -12.033 -0.545 40 2HB LYS 8 HB1 LYS 8 -13.812 -11.061 -0.006 41 1HG LYS 8 HG2 LYS 8 -15.503 -9.101 -0.062 42 2HG LYS 8 HG1 LYS 8 -16.720 -10.379 -0.049 43 1HD LYS 8 HD2 LYS 8 -14.498 -10.113 1.973 44 2HD LYS 8 HD1 LYS 8 -16.142 -9.519 2.212 45 1HE LYS 8 HE2 LYS 8 -16.836 -11.950 1.648 46 2HE LYS 8 HE1 LYS 8 -15.155 -12.340 2.017 47 1HZ LYS 8 HZ1 LYS 8 -17.246 -11.292 3.810 48 2HZ LYS 8 HZ2 LYS 8 -15.613 -11.043 4.173 49 3HZ LYS 8 HZ3 LYS 8 -16.216 -12.616 4.033 50 H GLN 9 HN GLN 9 -15.835 -8.450 -1.808 51 HA GLN 9 HA GLN 9 -18.057 -9.493 -3.409 52 1HB GLN 9 HB2 GLN 9 -19.122 -7.257 -2.430 53 2HB GLN 9 HB1 GLN 9 -19.110 -8.766 -1.529 54 1HG GLN 9 HG2 GLN 9 -17.241 -8.055 -0.228 55 2HG GLN 9 HG1 GLN 9 -17.017 -6.629 -1.237 56 H MET 10 HN MET 10 -17.543 -6.047 -2.961 57 HA MET 10 HA MET 10 -18.006 -5.385 -5.591 58 1HB MET 10 HB2 MET 10 -16.838 -3.228 -5.085 59 2HB MET 10 HB1 MET 10 -18.108 -3.674 -3.962 60 1HG MET 10 HG2 MET 10 -16.683 -3.940 -2.232 61 2HG MET 10 HG1 MET 10 -15.373 -4.520 -3.259 62 1HE MET 10 HE1 MET 10 -14.427 -2.908 -1.075 63 2HE MET 10 HE2 MET 10 -15.862 -1.923 -0.789 64 3HE MET 10 HE3 MET 10 -14.334 -1.155 -1.220 65 H ASP 11 HN ASP 11 -16.956 -6.231 -7.265 66 HA ASP 11 HA ASP 11 -14.339 -7.165 -7.271 67 1HB ASP 11 HB2 ASP 11 -15.795 -6.118 -9.700 68 2HB ASP 11 HB1 ASP 11 -14.536 -7.349 -9.654 69 H ILE 12 HN ILE 12 -12.957 -6.147 -9.365 70 HA ILE 12 HA ILE 12 -12.213 -3.493 -8.354 71 HB ILE 12 HB ILE 12 -10.286 -4.400 -10.238 72 H THR 13 HN THR 13 -11.861 -1.780 -9.718 73 HA THR 13 HA THR 13 -12.530 -2.034 -12.539 74 HB THR 13 HB THR 13 -13.890 0.254 -11.874 75 HG1 THR 13 HG1 THR 13 -14.949 -0.026 -10.028 76 HA PRO 14 HA PRO 14 -9.635 1.137 -13.611 77 1HB PRO 14 HB2 PRO 14 -11.882 3.113 -13.729 78 2HB PRO 14 HB1 PRO 14 -10.541 2.877 -14.858 79 1HG PRO 14 HG2 PRO 14 -12.959 1.907 -15.410 80 2HG PRO 14 HG1 PRO 14 -11.497 0.986 -15.804 81 1HD PRO 14 HD2 PRO 14 -13.505 0.518 -13.680 82 2HD PRO 14 HD1 PRO 14 -12.440 -0.638 -14.502 83 H ALA 15 HN ALA 15 -12.182 2.545 -11.531 84 HA ALA 15 HA ALA 15 -10.632 4.498 -10.301 85 1HB ALA 15 HB1 ALA 15 -13.157 3.107 -9.658 86 2HB ALA 15 HB2 ALA 15 -12.802 4.832 -9.750 87 3HB ALA 15 HB3 ALA 15 -12.343 3.911 -8.317 88 H ILE 16 HN ILE 16 -11.676 1.577 -8.551 89 HA ILE 16 HA ILE 16 -9.825 1.637 -6.519 90 HB ILE 16 HB ILE 16 -11.238 -0.637 -7.868 91 H ARG 17 HN ARG 17 -9.495 -0.423 -9.425 92 HA ARG 17 HA ARG 17 -6.985 -1.384 -9.147 93 1HB ARG 17 HB2 ARG 17 -8.515 -1.780 -11.086 94 2HB ARG 17 HB1 ARG 17 -8.028 -0.221 -11.737 95 1HG ARG 17 HG2 ARG 17 -5.614 -1.350 -11.373 96 2HG ARG 17 HG1 ARG 17 -6.589 -2.786 -11.690 97 1HD ARG 17 HD2 ARG 17 -6.592 -0.335 -13.441 98 2HD ARG 17 HD1 ARG 17 -5.559 -1.736 -13.720 99 HE ARG 17 HE ARG 17 -8.341 -2.400 -13.495 100 1HH1 ARG 17 HH11 ARG 17 -5.836 -1.323 -15.674 101 2HH1 ARG 17 HH12 ARG 17 -6.641 -1.913 -17.089 102 1HH2 ARG 17 HH21 ARG 17 -9.401 -3.175 -15.356 103 2HH2 ARG 17 HH22 ARG 17 -8.665 -2.964 -16.909 104 H GLU 18 HN GLU 18 -7.636 1.635 -10.932 105 HA GLU 18 HA GLU 18 -4.990 2.488 -11.135 106 1HB GLU 18 HB2 GLU 18 -6.799 3.461 -12.461 107 2HB GLU 18 HB1 GLU 18 -7.521 4.146 -11.011 108 1HG GLU 18 HG2 GLU 18 -6.365 5.876 -12.172 109 2HG GLU 18 HG1 GLU 18 -5.468 5.505 -10.700 110 H HIS 19 HN HIS 19 -7.393 3.057 -8.606 111 HA HIS 19 HA HIS 19 -5.976 4.933 -7.086 112 1HB HIS 19 HB2 HIS 19 -8.418 4.061 -6.888 113 2HB HIS 19 HB1 HIS 19 -7.725 2.812 -5.866 114 HD1 HIS 19 HD1 HIS 19 -6.470 6.346 -5.695 115 HD2 HIS 19 HD2 HIS 19 -8.964 3.749 -3.648 116 HE1 HIS 19 HE1 HIS 19 -6.988 7.503 -3.519 117 HE2 HIS 19 HE2 HIS 19 -8.608 5.966 -2.347 118 H LEU 20 HN LEU 20 -6.426 1.510 -6.255 119 HA LEU 20 HA LEU 20 -4.450 1.212 -4.378 120 1HB LEU 20 HB2 LEU 20 -4.840 -0.964 -6.373 121 2HB LEU 20 HB1 LEU 20 -4.648 -1.061 -4.631 122 HG LEU 20 HG LEU 20 -7.124 -0.057 -6.025 123 H GLU 21 HN GLU 21 -4.116 0.643 -7.879 124 HA GLU 21 HA GLU 21 -1.417 -0.004 -7.942 125 1HB GLU 21 HB2 GLU 21 -3.180 1.392 -9.952 126 2HB GLU 21 HB1 GLU 21 -1.503 0.997 -10.299 127 1HG GLU 21 HG2 GLU 21 -2.028 -1.382 -9.827 128 2HG GLU 21 HG1 GLU 21 -3.721 -0.931 -9.658 129 H GLU 22 HN GLU 22 -2.908 3.201 -8.393 130 HA GLU 22 HA GLU 22 -0.583 4.703 -8.615 131 1HB GLU 22 HB2 GLU 22 -2.823 5.633 -9.011 132 2HB GLU 22 HB1 GLU 22 -3.187 5.504 -7.294 133 1HG GLU 22 HG2 GLU 22 -1.063 7.004 -7.039 134 2HG GLU 22 HG1 GLU 22 -1.405 7.416 -8.718 135 H ARG 23 HN ARG 23 -2.374 3.727 -5.715 136 HA ARG 23 HA ARG 23 -0.809 5.041 -3.808 137 1HB ARG 23 HB2 ARG 23 -2.372 2.467 -3.645 138 2HB ARG 23 HB1 ARG 23 -1.614 3.226 -2.253 139 1HG ARG 23 HG2 ARG 23 -3.913 4.208 -3.903 140 2HG ARG 23 HG1 ARG 23 -3.833 3.915 -2.168 141 1HD ARG 23 HD2 ARG 23 -2.044 5.784 -2.176 142 2HD ARG 23 HD1 ARG 23 -2.727 6.201 -3.747 143 HE ARG 23 HE ARG 23 -4.677 5.946 -1.644 144 1HH1 ARG 23 HH11 ARG 23 -2.470 8.109 -3.267 145 2HH1 ARG 23 HH12 ARG 23 -3.332 9.536 -2.804 146 1HH2 ARG 23 HH21 ARG 23 -5.811 7.824 -1.034 147 2HH2 ARG 23 HH22 ARG 23 -5.227 9.376 -1.535 148 H LEU 24 HN LEU 24 -0.485 1.846 -5.291 149 HA LEU 24 HA LEU 24 1.753 0.985 -3.809 150 1HB LEU 24 HB2 LEU 24 0.503 -0.621 -5.058 151 2HB LEU 24 HB1 LEU 24 0.734 0.264 -6.552 152 HG LEU 24 HG LEU 24 3.325 -0.320 -5.739 153 H ALA 25 HN ALA 25 1.531 2.424 -7.062 154 HA ALA 25 HA ALA 25 4.251 2.660 -7.585 155 1HB ALA 25 HB1 ALA 25 1.797 3.976 -8.572 156 2HB ALA 25 HB2 ALA 25 3.096 3.183 -9.463 157 3HB ALA 25 HB3 ALA 25 3.314 4.828 -8.865 158 H LYS 26 HN LYS 26 2.144 4.562 -5.570 159 HA LYS 26 HA LYS 26 3.998 6.730 -5.219 160 1HB LYS 26 HB2 LYS 26 1.331 6.543 -4.868 161 2HB LYS 26 HB1 LYS 26 1.858 6.264 -3.214 162 1HG LYS 26 HG2 LYS 26 1.721 8.503 -3.094 163 2HG LYS 26 HG1 LYS 26 3.337 8.427 -3.798 164 1HD LYS 26 HD2 LYS 26 2.623 9.561 -5.573 165 2HD LYS 26 HD1 LYS 26 1.444 8.294 -5.917 166 1HE LYS 26 HE2 LYS 26 0.642 10.044 -3.728 167 2HE LYS 26 HE1 LYS 26 0.872 10.903 -5.251 168 1HZ LYS 26 HZ1 LYS 26 -1.240 10.246 -5.581 169 2HZ LYS 26 HZ2 LYS 26 -1.135 8.935 -4.519 170 3HZ LYS 26 HZ3 LYS 26 -0.516 8.803 -6.087 171 H LEU 27 HN LEU 27 3.150 3.761 -3.543 172 HA LEU 27 HA LEU 27 4.813 4.354 -1.269 173 1HB LEU 27 HB2 LEU 27 3.052 2.112 -2.089 174 2HB LEU 27 HB1 LEU 27 4.361 1.722 -0.991 175 HG LEU 27 HG LEU 27 2.089 3.648 -0.527 176 H GLY 28 HN GLY 28 5.423 3.334 -4.400 177 1HA GLY 28 HA2 GLY 28 7.474 1.426 -4.004 178 2HA GLY 28 HA1 GLY 28 7.266 2.428 -5.431 179 H LYS 29 HN LYS 29 7.475 4.938 -4.116 180 HA LYS 29 HA LYS 29 10.334 5.170 -4.023 181 1HB LYS 29 HB2 LYS 29 9.988 7.518 -3.901 182 2HB LYS 29 HB1 LYS 29 8.792 6.885 -5.020 183 1HG LYS 29 HG2 LYS 29 7.120 7.704 -3.805 184 2HG LYS 29 HG1 LYS 29 7.744 6.972 -2.328 185 1HD LYS 29 HD2 LYS 29 9.471 9.093 -2.852 186 2HD LYS 29 HD1 LYS 29 7.862 9.719 -3.214 187 1HE LYS 29 HE2 LYS 29 7.092 9.326 -1.041 188 2HE LYS 29 HE1 LYS 29 8.401 8.202 -0.682 189 1HZ LYS 29 HZ1 LYS 29 9.798 9.863 -0.146 190 2HZ LYS 29 HZ2 LYS 29 8.373 10.731 0.129 191 3HZ LYS 29 HZ3 LYS 29 9.205 10.916 -1.331 192 H TRP 30 HN TRP 30 8.111 4.302 -1.711 193 HA TRP 30 HA TRP 30 9.164 5.742 0.516 194 1HB TRP 30 HB2 TRP 30 7.083 3.713 0.069 195 2HB TRP 30 HB1 TRP 30 7.846 3.664 1.653 196 HD1 TRP 30 HD1 TRP 30 5.623 5.893 -0.526 197 HE1 TRP 30 HE1 TRP 30 4.577 7.708 0.970 198 HE3 TRP 30 HE3 TRP 30 8.219 4.986 3.761 199 HZ2 TRP 30 HZ2 TRP 30 4.831 8.632 3.632 200 HZ3 TRP 30 HZ3 TRP 30 7.777 6.383 5.736 201 HH2 TRP 30 HH2 TRP 30 6.117 8.171 5.668 202 H GLN 31 HN GLN 31 11.402 4.971 -0.399 203 HA GLN 31 HA GLN 31 13.212 3.526 -0.276 204 1HB GLN 31 HB2 GLN 31 13.959 4.849 1.375 205 2HB GLN 31 HB1 GLN 31 12.411 4.858 2.191 206 1HG GLN 31 HG2 GLN 31 14.014 4.011 3.692 207 2HG GLN 31 HG1 GLN 31 13.009 2.660 3.190 208 H THR 32 HN THR 32 10.952 1.893 -0.661 209 HA THR 32 HA THR 32 11.846 -0.498 0.736 210 HB THR 32 HB THR 32 9.090 0.680 0.828 211 HG1 THR 32 HG1 THR 32 9.304 -0.005 2.999 212 H GLN 33 HN GLN 33 10.931 -2.460 -0.241 213 HA GLN 33 HA GLN 33 10.336 -2.154 -3.099 214 1HB GLN 33 HB2 GLN 33 11.495 -4.532 -3.146 215 2HB GLN 33 HB1 GLN 33 12.429 -3.056 -3.318 216 1HG GLN 33 HG2 GLN 33 12.016 -4.202 -0.605 217 2HG GLN 33 HG1 GLN 33 13.195 -4.945 -1.682 218 H LEU 34 HN LEU 34 8.190 -2.324 -2.670 219 HA LEU 34 HA LEU 34 6.826 -3.916 -1.004 220 1HB LEU 34 HB2 LEU 34 6.198 -2.947 -3.756 221 2HB LEU 34 HB1 LEU 34 5.066 -4.000 -2.934 222 HG LEU 34 HG LEU 34 4.511 -2.410 -1.354 223 H ILE 35 HN ILE 35 7.440 -5.937 -0.588 224 HA ILE 35 HA ILE 35 8.041 -7.856 -2.630 225 HB ILE 35 HB ILE 35 7.645 -8.140 0.348 226 H SER 36 HN SER 36 6.154 -7.964 -3.896 227 HA SER 36 HA SER 36 4.094 -8.717 -4.534 228 1HB SER 36 HB2 SER 36 4.885 -10.895 -3.975 229 2HB SER 36 HB1 SER 36 4.735 -10.585 -2.245 230 HG SER 36 HG SER 36 2.905 -11.618 -2.573 231 HA PRO 37 HA PRO 37 1.637 -6.390 -1.528 232 1HB PRO 37 HB2 PRO 37 0.860 -4.487 -3.315 233 2HB PRO 37 HB1 PRO 37 2.393 -4.440 -2.446 234 1HG PRO 37 HG2 PRO 37 1.930 -4.889 -5.271 235 2HG PRO 37 HG1 PRO 37 3.456 -4.626 -4.430 236 1HD PRO 37 HD2 PRO 37 2.196 -7.118 -5.313 237 2HD PRO 37 HD1 PRO 37 3.879 -6.807 -4.851 238 H HIS 38 HN HIS 38 -0.473 -6.611 -1.081 239 HA HIS 38 HA HIS 38 -2.321 -7.325 -3.255 240 1HB HIS 38 HB2 HIS 38 -1.707 -8.803 -0.841 241 2HB HIS 38 HB1 HIS 38 -3.409 -8.418 -0.935 242 HD1 HIS 38 HD1 HIS 38 -1.260 -11.036 -1.728 243 HD2 HIS 38 HD2 HIS 38 -4.324 -9.144 -3.798 244 HE1 HIS 38 HE1 HIS 38 -2.039 -12.697 -3.447 245 HE2 HIS 38 HE2 HIS 38 -3.800 -11.481 -4.775 246 H PHE 39 HN PHE 39 -4.641 -7.058 -2.474 247 HA PHE 39 HA PHE 39 -5.013 -4.994 -0.503 248 1HB PHE 39 HB2 PHE 39 -4.960 -4.400 -3.346 249 2HB PHE 39 HB1 PHE 39 -6.476 -3.946 -2.577 250 HD1 PHE 39 HD1 PHE 39 -2.808 -3.510 -2.329 251 HD2 PHE 39 HD2 PHE 39 -6.657 -2.035 -1.272 252 HE1 PHE 39 HE1 PHE 39 -1.773 -1.471 -1.417 253 HE2 PHE 39 HE2 PHE 39 -5.631 0.007 -0.365 254 HZ PHE 39 HZ PHE 39 -3.187 0.292 -0.434 255 H VAL 40 HN VAL 40 -6.406 -6.150 0.689 256 HA VAL 40 HA VAL 40 -8.599 -7.558 -0.579 257 HB VAL 40 HB VAL 40 -7.929 -7.279 2.357 258 H LEU 41 HN LEU 41 -9.616 -5.713 -1.429 259 HA LEU 41 HA LEU 41 -10.691 -3.699 0.364 260 1HB LEU 41 HB2 LEU 41 -9.773 -3.025 -1.769 261 2HB LEU 41 HB1 LEU 41 -10.859 -4.098 -2.616 262 HG LEU 41 HG LEU 41 -12.617 -2.512 -1.271 263 H ASN 42 HN ASN 42 -12.785 -3.496 0.972 264 HA ASN 42 HA ASN 42 -14.840 -5.068 -0.326 265 1HB ASN 42 HB2 ASN 42 -14.281 -5.448 2.613 266 2HB ASN 42 HB1 ASN 42 -15.637 -6.131 1.729 267 H LYS 43 HN LYS 43 -17.002 -4.606 0.494 268 HA LYS 43 HA LYS 43 -17.228 -1.940 1.740 269 1HB LYS 43 HB2 LYS 43 -17.809 -1.252 -0.349 270 2HB LYS 43 HB1 LYS 43 -18.201 -2.878 -0.896 271 1HG LYS 43 HG2 LYS 43 -20.355 -2.777 0.218 272 2HG LYS 43 HG1 LYS 43 -19.965 -1.199 0.895 273 1HD LYS 43 HD2 LYS 43 -19.696 -0.389 -1.499 274 2HD LYS 43 HD1 LYS 43 -20.433 -1.915 -1.994 275 1HE LYS 43 HE2 LYS 43 -21.980 -0.670 0.091 276 2HE LYS 43 HE1 LYS 43 -21.736 0.449 -1.249 277 1HZ LYS 43 HZ1 LYS 43 -23.744 -1.028 -1.400 278 2HZ LYS 43 HZ2 LYS 43 -22.689 -2.328 -1.639 279 3HZ LYS 43 HZ3 LYS 43 -22.722 -1.054 -2.750 280 H VAL 44 HN VAL 44 -19.366 -1.517 2.632 281 HA VAL 44 HA VAL 44 -21.225 -3.656 2.910 282 HB VAL 44 HB VAL 44 -21.188 -3.903 5.267 283 HA PRO 45 HA PRO 45 -24.281 -0.542 3.287 284 1HB PRO 45 HB2 PRO 45 -25.060 -1.867 5.852 285 2HB PRO 45 HB1 PRO 45 -26.076 -1.359 4.498 286 1HG PRO 45 HG2 PRO 45 -25.424 -3.921 4.819 287 2HG PRO 45 HG1 PRO 45 -25.501 -3.194 3.203 288 1HD PRO 45 HD2 PRO 45 -23.131 -3.970 4.819 289 2HD PRO 45 HD1 PRO 45 -23.332 -3.922 3.057 290 H ASN 46 HN ASN 46 -22.886 -1.377 6.449 291 HA ASN 46 HA ASN 46 -23.182 1.320 7.418 292 1HB ASN 46 HB2 ASN 46 -22.154 0.463 9.477 293 2HB ASN 46 HB1 ASN 46 -23.479 -0.566 8.941 294 H GLY 47 HN GLY 47 -21.369 0.941 5.076 295 1HA GLY 47 HA2 GLY 47 -19.577 2.620 4.873 296 2HA GLY 47 HA1 GLY 47 -18.900 1.919 6.334 297 H PHE 48 HN PHE 48 -17.210 2.066 4.407 298 HA PHE 48 HA PHE 48 -17.179 -0.473 2.960 299 1HB PHE 48 HB2 PHE 48 -15.632 2.079 2.603 300 2HB PHE 48 HB1 PHE 48 -15.193 0.610 1.788 301 HD1 PHE 48 HD1 PHE 48 -18.374 2.469 2.373 302 HD2 PHE 48 HD2 PHE 48 -15.769 0.555 -0.376 303 HE1 PHE 48 HE1 PHE 48 -19.930 2.995 0.535 304 HE2 PHE 48 HE2 PHE 48 -17.310 1.064 -2.219 305 HZ PHE 48 HZ PHE 48 -19.391 2.284 -1.766 306 H SER 49 HN SER 49 -15.670 -1.997 3.361 307 HA SER 49 HA SER 49 -13.723 -1.403 5.478 308 1HB SER 49 HB2 SER 49 -13.926 -4.204 5.136 309 2HB SER 49 HB1 SER 49 -14.406 -3.240 6.523 310 HG SER 49 HG SER 49 -15.990 -3.945 4.281 311 H VAL 50 HN VAL 50 -11.741 -1.324 4.871 312 HA VAL 50 HA VAL 50 -10.911 -2.819 2.470 313 HB VAL 50 HB VAL 50 -9.741 -0.148 3.216 314 H GLU 51 HN GLU 51 -9.244 -4.144 2.799 315 HA GLU 51 HA GLU 51 -7.355 -3.562 4.974 316 1HB GLU 51 HB2 GLU 51 -8.838 -5.297 5.789 317 2HB GLU 51 HB1 GLU 51 -8.606 -6.230 4.323 318 1HG GLU 51 HG2 GLU 51 -6.092 -6.181 5.041 319 2HG GLU 51 HG1 GLU 51 -6.772 -5.847 6.632 320 H ALA 52 HN ALA 52 -5.343 -3.494 4.303 321 HA ALA 52 HA ALA 52 -4.674 -4.745 1.723 322 1HB ALA 52 HB1 ALA 52 -4.536 -2.260 1.847 323 2HB ALA 52 HB2 ALA 52 -3.021 -3.046 1.402 324 3HB ALA 52 HB3 ALA 52 -3.253 -2.441 3.043 325 H SER 53 HN SER 53 -2.587 -5.677 1.460 326 HA SER 53 HA SER 53 -1.021 -6.216 3.841 327 1HB SER 53 HB2 SER 53 -1.820 -8.592 2.199 328 2HB SER 53 HB1 SER 53 -1.249 -8.528 3.866 329 HG SER 53 HG SER 53 -3.223 -7.997 4.545 330 H ILE 54 HN ILE 54 0.840 -5.426 3.115 331 HA ILE 54 HA ILE 54 1.871 -6.419 0.535 332 HB ILE 54 HB ILE 54 2.802 -3.863 1.825 333 H GLY 55 HN GLY 55 4.391 -6.272 0.519 334 1HA GLY 55 HA2 GLY 55 5.415 -7.148 3.126 335 2HA GLY 55 HA1 GLY 55 5.825 -7.983 1.653 336 H THR 56 HN THR 56 7.497 -6.680 3.607 337 HA THR 56 HA THR 56 9.041 -5.064 1.756 338 HB THR 56 HB THR 56 9.035 -3.126 2.884 339 HG1 THR 56 HG1 THR 56 8.597 -3.896 5.461 340 HA PRO 57 HA PRO 57 12.354 -7.559 3.381 341 1HB PRO 57 HB2 PRO 57 14.018 -5.132 2.999 342 2HB PRO 57 HB1 PRO 57 14.265 -6.771 2.392 343 1HG PRO 57 HG2 PRO 57 13.445 -4.784 0.796 344 2HG PRO 57 HG1 PRO 57 12.889 -6.449 0.575 345 1HD PRO 57 HD2 PRO 57 11.455 -4.095 1.694 346 2HD PRO 57 HD1 PRO 57 10.834 -5.485 0.779 347 H LEU 58 HN LEU 58 11.362 -4.468 4.591 348 HA LEU 58 HA LEU 58 13.002 -4.752 6.995 349 1HB LEU 58 HB2 LEU 58 11.489 -2.514 5.740 350 2HB LEU 58 HB1 LEU 58 11.717 -2.487 7.474 351 HG LEU 58 HG LEU 58 13.403 -1.179 6.168 352 H GLY 59 HN GLY 59 9.826 -5.328 5.857 353 1HA GLY 59 HA2 GLY 59 8.885 -6.771 7.926 354 2HA GLY 59 HA1 GLY 59 8.550 -5.133 8.443 355 H ASN 60 HN ASN 60 7.016 -7.646 7.352 356 HA ASN 60 HA ASN 60 5.670 -6.931 5.020 357 1HB ASN 60 HB2 ASN 60 4.485 -8.458 7.344 358 2HB ASN 60 HB1 ASN 60 4.013 -8.556 5.652 359 H LEU 61 HN LEU 61 3.762 -5.816 4.615 360 HA LEU 61 HA LEU 61 2.886 -4.039 6.792 361 1HB LEU 61 HB2 LEU 61 2.931 -3.678 3.805 362 2HB LEU 61 HB1 LEU 61 1.978 -2.645 4.847 363 HG LEU 61 HG LEU 61 4.823 -2.882 5.589 364 H LEU 62 HN LEU 62 0.798 -3.911 7.363 365 HA LEU 62 HA LEU 62 -1.250 -5.174 5.723 366 1HB LEU 62 HB2 LEU 62 -1.104 -5.723 8.677 367 2HB LEU 62 HB1 LEU 62 -2.187 -6.441 7.509 368 HG LEU 62 HG LEU 62 -0.573 -8.083 8.131 369 H ALA 63 HN ALA 63 -3.344 -4.391 6.181 370 HA ALA 63 HA ALA 63 -3.742 -2.375 8.188 371 1HB ALA 63 HB1 ALA 63 -4.529 -0.755 6.257 372 2HB ALA 63 HB2 ALA 63 -3.296 -1.629 5.347 373 3HB ALA 63 HB3 ALA 63 -2.861 -0.773 6.826 374 H SER 64 HN SER 64 -5.949 -1.604 8.261 375 HA SER 64 HA SER 64 -7.961 -2.700 6.578 376 1HB SER 64 HB2 SER 64 -8.905 -3.874 8.868 377 2HB SER 64 HB1 SER 64 -8.105 -4.731 7.551 378 HG SER 64 HG SER 64 -6.985 -5.282 9.346 379 H ALA 65 HN ALA 65 -9.735 -1.436 6.700 380 HA ALA 65 HA ALA 65 -10.444 -0.125 9.180 381 1HB ALA 65 HB1 ALA 65 -10.141 2.099 8.530 382 2HB ALA 65 HB2 ALA 65 -9.896 1.667 6.838 383 3HB ALA 65 HB3 ALA 65 -8.655 1.290 8.032 384 H THR 66 HN THR 66 -12.515 0.721 9.222 385 HA THR 66 HA THR 66 -14.183 0.217 6.846 386 HB THR 66 HB THR 66 -14.995 -0.229 9.724 387 HG1 THR 66 HG1 THR 66 -14.092 -2.088 9.469 388 H SER 67 HN SER 67 -14.768 2.171 6.107 389 HA SER 67 HA SER 67 -15.883 4.068 8.050 390 1HB SER 67 HB2 SER 67 -13.502 4.447 6.413 391 2HB SER 67 HB1 SER 67 -14.707 5.700 6.133 392 HG SER 67 HG SER 67 -14.202 6.513 7.992 393 H ASP 68 HN ASP 68 -17.168 5.808 6.966 394 HA ASP 68 HA ASP 68 -18.886 4.589 4.991 395 1HB ASP 68 HB2 ASP 68 -20.210 6.722 5.305 396 2HB ASP 68 HB1 ASP 68 -20.011 5.735 6.747 397 H ASP 69 HN ASP 69 -16.114 5.461 4.256 398 HA ASP 69 HA ASP 69 -16.889 6.928 1.870 399 1HB ASP 69 HB2 ASP 69 -15.074 7.967 3.988 400 2HB ASP 69 HB1 ASP 69 -14.632 8.276 2.312 401 H MET 70 HN MET 70 -16.335 5.507 0.398 402 HA MET 70 HA MET 70 -14.656 3.441 0.316 403 1HB MET 70 HB2 MET 70 -16.036 3.843 -1.536 404 2HB MET 70 HB1 MET 70 -15.388 5.451 -1.785 405 1HG MET 70 HG2 MET 70 -14.095 4.615 -3.363 406 2HG MET 70 HG1 MET 70 -13.219 3.728 -2.119 407 1HE MET 70 HE1 MET 70 -13.711 1.293 -1.417 408 2HE MET 70 HE2 MET 70 -12.603 1.466 -2.787 409 3HE MET 70 HE3 MET 70 -13.836 0.200 -2.797 410 H TYR 71 HN TYR 71 -13.575 6.444 -1.231 411 HA TYR 71 HA TYR 71 -10.877 5.620 -1.208 412 1HB TYR 71 HB2 TYR 71 -12.322 8.056 -2.070 413 2HB TYR 71 HB1 TYR 71 -10.583 8.197 -1.790 414 HD1 TYR 71 HD1 TYR 71 -11.870 4.968 -2.768 415 HD2 TYR 71 HD2 TYR 71 -10.298 8.630 -4.254 416 HE1 TYR 71 HE1 TYR 71 -11.418 3.876 -4.902 417 HE2 TYR 71 HE2 TYR 71 -9.851 7.553 -6.422 418 HH TYR 71 HH TYR 71 -10.397 4.092 -6.911 419 H LYS 72 HN LYS 72 -12.756 7.199 1.187 420 HA LYS 72 HA LYS 72 -10.508 8.377 2.543 421 1HB LYS 72 HB2 LYS 72 -12.877 9.150 2.799 422 2HB LYS 72 HB1 LYS 72 -13.149 7.682 3.708 423 1HG LYS 72 HG2 LYS 72 -11.271 8.436 5.228 424 2HG LYS 72 HG1 LYS 72 -11.411 10.003 4.428 425 1HD LYS 72 HD2 LYS 72 -13.953 8.865 5.359 426 2HD LYS 72 HD1 LYS 72 -12.809 9.259 6.642 427 1HE LYS 72 HE2 LYS 72 -12.650 11.461 5.025 428 2HE LYS 72 HE1 LYS 72 -14.350 11.018 4.882 429 1HZ LYS 72 HZ1 LYS 72 -13.253 11.017 7.573 430 2HZ LYS 72 HZ2 LYS 72 -14.759 11.552 7.018 431 3HZ LYS 72 HZ3 LYS 72 -13.395 12.535 6.838 432 H ALA 73 HN ALA 73 -12.381 5.410 2.627 433 HA ALA 73 HA ALA 73 -11.212 4.244 4.926 434 1HB ALA 73 HB1 ALA 73 -12.073 2.541 2.631 435 2HB ALA 73 HB2 ALA 73 -13.293 3.517 3.447 436 3HB ALA 73 HB3 ALA 73 -12.362 2.328 4.358 437 H ILE 74 HN ILE 74 -10.575 4.126 1.469 438 HA ILE 74 HA ILE 74 -8.222 2.542 1.572 439 HB ILE 74 HB ILE 74 -9.465 4.408 -0.420 440 H ASN 75 HN ASN 75 -9.022 5.914 1.835 441 HA ASN 75 HA ASN 75 -6.513 7.113 1.867 442 1HB ASN 75 HB2 ASN 75 -9.037 7.963 1.921 443 2HB ASN 75 HB1 ASN 75 -8.718 8.120 3.638 444 H GLU 76 HN GLU 76 -8.438 5.545 4.339 445 HA GLU 76 HA GLU 76 -6.697 6.134 6.527 446 1HB GLU 76 HB2 GLU 76 -9.256 4.971 6.159 447 2HB GLU 76 HB1 GLU 76 -8.267 3.769 6.980 448 1HG GLU 76 HG2 GLU 76 -8.333 4.882 8.901 449 2HG GLU 76 HG1 GLU 76 -7.940 6.413 8.120 450 H VAL 77 HN VAL 77 -7.386 3.115 4.729 451 HA VAL 77 HA VAL 77 -5.529 1.437 5.847 452 HB VAL 77 HB VAL 77 -5.991 1.508 2.873 453 H GLU 78 HN GLU 78 -5.046 3.593 3.065 454 HA GLU 78 HA GLU 78 -2.365 3.015 2.633 455 1HB GLU 78 HB2 GLU 78 -4.211 4.678 1.466 456 2HB GLU 78 HB1 GLU 78 -3.085 5.826 2.178 457 1HG GLU 78 HG2 GLU 78 -2.563 5.252 -0.162 458 2HG GLU 78 HG1 GLU 78 -1.254 4.882 0.959 459 H GLU 79 HN GLU 79 -3.913 5.142 4.929 460 HA GLU 79 HA GLU 79 -1.547 6.487 5.764 461 1HB GLU 79 HB2 GLU 79 -4.359 6.366 6.604 462 2HB GLU 79 HB1 GLU 79 -3.236 6.602 7.935 463 1HG GLU 79 HG2 GLU 79 -2.612 8.314 5.689 464 2HG GLU 79 HG1 GLU 79 -4.265 8.547 6.258 465 H LYS 80 HN LYS 80 -3.305 3.621 6.867 466 HA LYS 80 HA LYS 80 -1.613 3.142 9.114 467 1HB LYS 80 HB2 LYS 80 -3.958 1.988 8.009 468 2HB LYS 80 HB1 LYS 80 -2.770 0.703 8.137 469 1HG LYS 80 HG2 LYS 80 -3.320 0.501 10.270 470 2HG LYS 80 HG1 LYS 80 -2.609 2.091 10.553 471 1HD LYS 80 HD2 LYS 80 -5.380 1.978 9.484 472 2HD LYS 80 HD1 LYS 80 -5.132 1.540 11.176 473 1HE LYS 80 HE2 LYS 80 -4.244 3.659 11.699 474 2HE LYS 80 HE1 LYS 80 -4.030 4.076 10.000 475 1HZ LYS 80 HZ1 LYS 80 -6.198 4.629 9.765 476 2HZ LYS 80 HZ2 LYS 80 -6.062 4.950 11.419 477 3HZ LYS 80 HZ3 LYS 80 -6.745 3.495 10.895 478 H LEU 81 HN LEU 81 -1.721 1.979 5.784 479 HA LEU 81 HA LEU 81 0.419 0.149 6.002 480 1HB LEU 81 HB2 LEU 81 -1.324 1.110 3.947 481 2HB LEU 81 HB1 LEU 81 0.321 1.203 3.353 482 HG LEU 81 HG LEU 81 -1.130 -0.942 2.965 483 H GLU 82 HN GLU 82 0.300 3.566 4.961 484 HA GLU 82 HA GLU 82 3.083 3.757 4.429 485 1HB GLU 82 HB2 GLU 82 1.351 5.354 3.602 486 2HB GLU 82 HB1 GLU 82 1.196 5.975 5.236 487 1HG GLU 82 HG2 GLU 82 3.931 5.925 4.185 488 2HG GLU 82 HG1 GLU 82 2.822 7.010 3.345 489 H ARG 83 HN ARG 83 1.121 4.882 7.175 490 HA ARG 83 HA ARG 83 3.137 5.786 8.833 491 1HB ARG 83 HB2 ARG 83 0.641 5.899 9.252 492 2HB ARG 83 HB1 ARG 83 0.732 4.232 9.801 493 1HG ARG 83 HG2 ARG 83 1.896 4.781 11.711 494 2HG ARG 83 HG1 ARG 83 2.514 6.286 11.027 495 1HD ARG 83 HD2 ARG 83 0.592 7.443 11.480 496 2HD ARG 83 HD1 ARG 83 -0.425 6.006 11.380 497 HE ARG 83 HE ARG 83 1.372 5.998 13.623 498 1HH1 ARG 83 HH11 ARG 83 -1.753 7.034 12.465 499 2HH1 ARG 83 HH12 ARG 83 -2.448 7.125 14.048 500 1HH2 ARG 83 HH21 ARG 83 0.459 6.117 15.706 501 2HH2 ARG 83 HH22 ARG 83 -1.193 6.606 15.889 502 H GLN 84 HN GLN 84 1.873 2.498 8.467 503 HA GLN 84 HA GLN 84 3.561 1.279 10.374 504 1HB GLN 84 HB2 GLN 84 1.978 0.282 8.028 505 2HB GLN 84 HB1 GLN 84 3.085 -0.800 8.864 506 1HG GLN 84 HG2 GLN 84 1.898 -0.407 10.948 507 2HG GLN 84 HG1 GLN 84 0.793 0.684 10.116 508 H LEU 85 HN LEU 85 3.896 2.050 6.961 509 HA LEU 85 HA LEU 85 6.255 0.636 6.397 510 1HB LEU 85 HB2 LEU 85 4.661 2.714 5.170 511 2HB LEU 85 HB1 LEU 85 6.363 3.088 4.997 512 HG LEU 85 HG LEU 85 5.402 0.360 4.261 513 H ASN 86 HN ASN 86 5.754 3.988 7.451 514 HA ASN 86 HA ASN 86 8.472 4.637 7.761 515 1HB ASN 86 HB2 ASN 86 6.103 6.020 7.971 516 2HB ASN 86 HB1 ASN 86 6.629 5.943 9.651 517 H LYS 87 HN LYS 87 6.119 3.093 9.844 518 HA LYS 87 HA LYS 87 7.633 3.145 12.236 519 1HB LYS 87 HB2 LYS 87 5.124 2.107 11.372 520 2HB LYS 87 HB1 LYS 87 6.014 0.791 12.132 521 1HG LYS 87 HG2 LYS 87 6.434 2.733 13.940 522 2HG LYS 87 HG1 LYS 87 4.866 3.239 13.308 523 1HD LYS 87 HD2 LYS 87 3.790 1.493 14.240 524 2HD LYS 87 HD1 LYS 87 5.098 0.366 13.876 525 1HE LYS 87 HE2 LYS 87 5.209 2.417 16.080 526 2HE LYS 87 HE1 LYS 87 4.684 0.750 16.316 527 1HZ LYS 87 HZ1 LYS 87 7.288 1.289 15.061 528 2HZ LYS 87 HZ2 LYS 87 6.789 -0.057 15.955 529 3HZ LYS 87 HZ3 LYS 87 7.138 1.399 16.743 530 H LEU 88 HN LEU 88 7.129 0.486 9.870 531 HA LEU 88 HA LEU 88 8.930 -1.269 11.081 532 1HB LEU 88 HB2 LEU 88 8.911 -2.538 9.066 533 2HB LEU 88 HB1 LEU 88 7.304 -1.919 9.348 534 HG LEU 88 HG LEU 88 8.160 -0.031 7.677 535 H GLN 89 HN GLN 89 9.413 1.004 8.439 536 HA GLN 89 HA GLN 89 12.158 0.541 8.056 537 1HB GLN 89 HB2 GLN 89 10.408 2.939 7.549 538 2HB GLN 89 HB1 GLN 89 12.133 2.980 7.212 539 1HG GLN 89 HG2 GLN 89 11.845 1.040 5.710 540 2HG GLN 89 HG1 GLN 89 10.108 1.122 5.989 541 H HIS 90 HN HIS 90 10.394 2.403 10.405 542 HA HIS 90 HA HIS 90 12.682 3.806 11.458 543 1HB HIS 90 HB2 HIS 90 9.795 3.539 12.199 544 2HB HIS 90 HB1 HIS 90 10.920 4.176 13.381 545 HD1 HIS 90 HD1 HIS 90 12.187 5.322 10.287 546 HD2 HIS 90 HD2 HIS 90 8.993 6.443 12.697 547 HE1 HIS 90 HE1 HIS 90 11.611 7.667 9.590 548 HE2 HIS 90 HE2 HIS 90 9.737 8.358 11.126 549 H LYS 91 HN LYS 91 10.889 0.898 12.138 550 HA LYS 91 HA LYS 91 11.395 0.250 14.668 551 1HB LYS 91 HB2 LYS 91 10.618 -1.155 12.448 552 2HB LYS 91 HB1 LYS 91 12.101 -1.981 12.902 553 1HG LYS 91 HG2 LYS 91 11.129 -2.977 14.635 554 2HG LYS 91 HG1 LYS 91 10.396 -1.471 15.189 555 1HD LYS 91 HD2 LYS 91 8.424 -1.934 14.214 556 2HD LYS 91 HD1 LYS 91 9.186 -2.579 12.759 557 1HE LYS 91 HE2 LYS 91 9.500 -4.229 15.172 558 2HE LYS 91 HE1 LYS 91 7.844 -4.070 14.587 559 1HZ LYS 91 HZ1 LYS 91 10.120 -5.412 13.372 560 2HZ LYS 91 HZ2 LYS 91 9.098 -4.582 12.312 561 3HZ LYS 91 HZ3 LYS 91 8.474 -5.797 13.308 562 H SER 92 HN SER 92 13.090 0.142 15.968 563 HA SER 92 HA SER 92 15.718 -0.535 14.827 564 1HB SER 92 HB2 SER 92 15.457 1.924 15.367 565 2HB SER 92 HB1 SER 92 15.297 1.460 17.061 566 HG SER 92 HG SER 92 17.503 0.672 15.475 567 H GLU 93 HN GLU 93 17.167 -0.543 17.192 568 HA GLU 93 HA GLU 93 17.741 -1.903 18.922 569 1HB GLU 93 HB2 GLU 93 14.748 -1.928 19.343 570 2HB GLU 93 HB1 GLU 93 15.917 -2.571 20.488 571 1HG GLU 93 HG2 GLU 93 16.344 -0.561 21.323 572 2HG GLU 93 HG1 GLU 93 16.550 0.145 19.720 573 H SER 94 HN SER 94 16.894 -3.014 16.211 574 HA SER 94 HA SER 94 16.477 -5.798 17.078 575 1HB SER 94 HB2 SER 94 14.585 -5.087 15.767 576 2HB SER 94 HB1 SER 94 15.637 -4.432 14.512 577 HG SER 94 HG SER 94 16.313 -6.546 14.053 578 H ARG 95 HN ARG 95 18.311 -3.623 15.031 579 HA ARG 95 HA ARG 95 19.943 -5.808 14.005 580 1HB ARG 95 HB2 ARG 95 19.965 -2.837 13.458 581 2HB ARG 95 HB1 ARG 95 21.090 -3.975 12.732 582 1HG ARG 95 HG2 ARG 95 19.417 -5.009 11.473 583 2HG ARG 95 HG1 ARG 95 18.127 -4.325 12.464 584 1HD ARG 95 HD2 ARG 95 18.061 -2.440 11.263 585 2HD ARG 95 HD1 ARG 95 19.817 -2.297 11.232 586 HE ARG 95 HE ARG 95 18.136 -3.413 9.194 587 1HH1 ARG 95 HH11 ARG 95 21.340 -3.459 10.576 588 2HH1 ARG 95 HH12 ARG 95 22.095 -4.018 9.122 589 1HH2 ARG 95 HH21 ARG 95 19.128 -4.147 7.279 590 2HH2 ARG 95 HH22 ARG 95 20.839 -4.407 7.249 591 H ARG 96 HN ARG 96 21.801 -6.411 14.897 592 HA ARG 96 HA ARG 96 23.646 -6.465 16.224 593 1HB ARG 96 HB2 ARG 96 23.976 -4.269 14.806 594 2HB ARG 96 HB1 ARG 96 23.719 -3.478 16.355 595 1HG ARG 96 HG2 ARG 96 25.707 -5.684 16.190 596 2HG ARG 96 HG1 ARG 96 26.126 -4.102 15.531 597 1HD ARG 96 HD2 ARG 96 25.003 -4.405 18.297 598 2HD ARG 96 HD1 ARG 96 26.727 -4.592 17.977 599 HE ARG 96 HE ARG 96 25.615 -2.157 16.930 600 1HH1 ARG 96 HH11 ARG 96 27.015 -3.687 19.736 601 2HH1 ARG 96 HH12 ARG 96 27.549 -2.196 20.437 602 1HH2 ARG 96 HH21 ARG 96 26.315 -0.196 17.850 603 2HH2 ARG 96 HH22 ARG 96 27.151 -0.213 19.368 604 H ALA 97 HN ALA 97 22.247 -7.275 17.921 605 HA ALA 97 HA ALA 97 21.649 -5.326 20.037 606 1HB ALA 97 HB1 ALA 97 20.024 -6.794 20.860 607 2HB ALA 97 HB2 ALA 97 20.706 -8.175 20.000 608 3HB ALA 97 HB3 ALA 97 19.865 -6.907 19.107 609 H ASP 98 HN ASP 98 22.855 -5.261 21.815 610 HA ASP 98 HA ASP 98 24.876 -7.335 22.215 611 1HB ASP 98 HB2 ASP 98 25.886 -5.726 23.806 612 2HB ASP 98 HB1 ASP 98 25.685 -5.041 22.196 613 H GLU 99 HN GLU 99 24.349 -8.973 23.491 614 HA GLU 99 HA GLU 99 22.332 -8.637 25.560 615 1HB GLU 99 HB2 GLU 99 22.630 -10.648 23.885 616 2HB GLU 99 HB1 GLU 99 23.782 -11.210 25.089 617 1HG GLU 99 HG2 GLU 99 22.100 -12.097 26.210 618 2HG GLU 99 HG1 GLU 99 21.494 -10.470 26.518 619 H ARG 100 HN ARG 100 22.696 -9.448 27.741 620 HA ARG 100 HA ARG 100 25.398 -9.801 28.666 621 1HB ARG 100 HB2 ARG 100 25.147 -7.310 28.442 622 2HB ARG 100 HB1 ARG 100 23.871 -7.388 29.649 623 1HG ARG 100 HG2 ARG 100 25.894 -8.706 30.907 624 2HG ARG 100 HG1 ARG 100 26.776 -7.502 29.967 625 1HD ARG 100 HD2 ARG 100 25.211 -5.774 30.902 626 2HD ARG 100 HD1 ARG 100 24.587 -7.022 31.980 627 HE ARG 100 HE ARG 100 26.487 -6.835 33.249 628 1HH1 ARG 100 HH11 ARG 100 26.996 -5.223 30.196 629 2HH1 ARG 100 HH12 ARG 100 28.499 -4.512 30.679 630 1HH2 ARG 100 HH21 ARG 100 28.465 -5.903 33.885 631 2HH2 ARG 100 HH22 ARG 100 29.334 -4.899 32.774 632 H LEU 101 HN LEU 101 22.061 -9.047 29.619 633 HA LEU 101 HA LEU 101 22.233 -10.243 32.179 634 1HB LEU 101 HB2 LEU 101 20.342 -8.766 30.744 635 2HB LEU 101 HB1 LEU 101 19.563 -10.303 31.060 636 HG LEU 101 HG LEU 101 20.735 -9.556 33.498 637 H LYS 102 HN LYS 102 23.095 -12.299 32.027 638 HA LYS 102 HA LYS 102 21.587 -14.273 30.462 639 1HB LYS 102 HB2 LYS 102 24.265 -13.875 30.555 640 2HB LYS 102 HB1 LYS 102 24.086 -15.090 31.813 641 1HG LYS 102 HG2 LYS 102 22.870 -16.514 30.170 642 2HG LYS 102 HG1 LYS 102 23.265 -15.325 28.929 643 1HD LYS 102 HD2 LYS 102 25.228 -16.324 28.629 644 2HD LYS 102 HD1 LYS 102 25.667 -15.921 30.290 645 1HE LYS 102 HE2 LYS 102 23.881 -18.235 30.013 646 2HE LYS 102 HE1 LYS 102 25.479 -18.448 29.300 647 1HZ LYS 102 HZ1 LYS 102 24.947 -18.905 31.860 648 2HZ LYS 102 HZ2 LYS 102 25.420 -17.284 31.961 649 3HZ LYS 102 HZ3 LYS 102 26.474 -18.433 31.304 650 H ASP 103 HN ASP 103 23.171 -13.986 33.646 651 HA ASP 103 HA ASP 103 20.916 -14.958 35.057 652 1HB ASP 103 HB2 ASP 103 21.823 -17.116 35.806 653 2HB ASP 103 HB1 ASP 103 21.584 -17.096 34.061 654 H SER 104 HN SER 104 21.327 -15.168 37.371 655 HA SER 104 HA SER 104 22.174 -14.376 39.327 656 1HB SER 104 HB2 SER 104 24.431 -14.812 39.778 657 2HB SER 104 HB1 SER 104 24.063 -15.943 38.475 658 HG SER 104 HG SER 104 25.573 -13.578 38.412 659 H PHE 105 HN PHE 105 21.363 -12.472 37.339 660 HA PHE 105 HA PHE 105 23.276 -10.306 37.410 661 1HB PHE 105 HB2 PHE 105 21.839 -10.662 35.434 662 2HB PHE 105 HB1 PHE 105 20.416 -10.345 36.421 663 HD1 PHE 105 HD1 PHE 105 23.436 -8.846 34.945 664 HD2 PHE 105 HD2 PHE 105 19.761 -8.130 36.969 665 HE1 PHE 105 HE1 PHE 105 23.639 -6.443 34.457 666 HE2 PHE 105 HE2 PHE 105 19.957 -5.726 36.484 667 HZ PHE 105 HZ PHE 105 21.899 -4.881 35.226 668 H GLU 106 HN GLU 106 20.091 -11.002 38.813 669 HA GLU 106 HA GLU 106 18.993 -10.142 40.609 670 1HB GLU 106 HB2 GLU 106 21.856 -9.854 41.297 671 2HB GLU 106 HB1 GLU 106 20.741 -8.877 42.242 672 1HG GLU 106 HG2 GLU 106 19.725 -11.540 42.027 673 2HG GLU 106 HG1 GLU 106 21.396 -11.586 42.584 674 H ASN 107 HN ASN 107 18.603 -8.025 41.866 675 HA ASN 107 HA ASN 107 19.110 -5.712 40.117 676 1HB ASN 107 HB2 ASN 107 16.488 -6.385 41.469 677 2HB ASN 107 HB1 ASN 107 16.815 -4.926 40.539 Start of MODEL 17 1 1H MET 1 HT1 MET 1 6.951 -4.068 -9.833 2 2H MET 1 HT2 MET 1 8.064 -3.909 -8.537 3 3H MET 1 HT3 MET 1 6.820 -2.747 -8.750 4 HA MET 1 HA MET 1 6.305 -5.591 -8.240 5 1HB MET 1 HB2 MET 1 6.961 -3.324 -6.410 6 2HB MET 1 HB1 MET 1 5.749 -4.487 -5.890 7 1HG MET 1 HG2 MET 1 8.583 -5.117 -6.687 8 2HG MET 1 HG1 MET 1 7.954 -5.058 -5.042 9 1HE MET 1 HE1 MET 1 8.592 -8.868 -5.566 10 2HE MET 1 HE2 MET 1 9.181 -7.361 -4.866 11 3HE MET 1 HE3 MET 1 9.479 -7.719 -6.567 12 H THR 2 HN THR 2 4.593 -5.325 -9.789 13 HA THR 2 HA THR 2 2.633 -3.343 -9.712 14 HB THR 2 HB THR 2 1.230 -4.911 -10.972 15 HG1 THR 2 HG1 THR 2 3.210 -6.809 -10.258 16 H LEU 3 HN LEU 3 0.883 -2.978 -8.489 17 HA LEU 3 HA LEU 3 0.526 -4.536 -6.090 18 1HB LEU 3 HB2 LEU 3 0.366 -2.147 -5.923 19 2HB LEU 3 HB1 LEU 3 -0.872 -2.090 -7.162 20 HG LEU 3 HG LEU 3 -1.387 -3.604 -4.630 21 H ASN 4 HN ASN 4 -0.659 -6.312 -6.026 22 HA ASN 4 HA ASN 4 -2.709 -6.754 -8.044 23 1HB ASN 4 HB2 ASN 4 -1.936 -8.672 -5.857 24 2HB ASN 4 HB1 ASN 4 -2.692 -9.033 -7.402 25 H ILE 5 HN ILE 5 -4.844 -7.487 -7.464 26 HA ILE 5 HA ILE 5 -5.744 -6.680 -4.792 27 HB ILE 5 HB ILE 5 -7.199 -5.842 -7.299 28 H THR 6 HN THR 6 -7.966 -7.443 -4.302 29 HA THR 6 HA THR 6 -8.800 -9.752 -5.903 30 HB THR 6 HB THR 6 -8.214 -9.813 -2.938 31 HG1 THR 6 HG1 THR 6 -7.105 -11.099 -5.193 32 H SER 7 HN SER 7 -9.678 -8.256 -2.781 33 HA SER 7 HA SER 7 -11.653 -7.502 -1.957 34 1HB SER 7 HB2 SER 7 -13.197 -7.044 -4.319 35 2HB SER 7 HB1 SER 7 -12.449 -5.872 -3.259 36 HG SER 7 HG SER 7 -11.642 -5.631 -5.344 37 H LYS 8 HN LYS 8 -12.928 -8.900 -0.974 38 HA LYS 8 HA LYS 8 -13.653 -11.395 -1.980 39 1HB LYS 8 HB2 LYS 8 -14.878 -11.711 0.000 40 2HB LYS 8 HB1 LYS 8 -13.565 -10.632 0.444 41 1HG LYS 8 HG2 LYS 8 -15.381 -8.786 -0.104 42 2HG LYS 8 HG1 LYS 8 -16.481 -10.112 0.277 43 1HD LYS 8 HD2 LYS 8 -14.240 -9.706 2.156 44 2HD LYS 8 HD1 LYS 8 -15.466 -8.436 2.125 45 1HE LYS 8 HE2 LYS 8 -17.186 -9.946 2.700 46 2HE LYS 8 HE1 LYS 8 -16.170 -11.348 2.366 47 1HZ LYS 8 HZ1 LYS 8 -16.589 -10.372 4.807 48 2HZ LYS 8 HZ2 LYS 8 -15.176 -9.535 4.402 49 3HZ LYS 8 HZ3 LYS 8 -15.195 -11.227 4.372 50 H GLN 9 HN GLN 9 -15.455 -8.354 -2.007 51 HA GLN 9 HA GLN 9 -17.503 -9.714 -3.630 52 1HB GLN 9 HB2 GLN 9 -18.969 -7.722 -2.762 53 2HB GLN 9 HB1 GLN 9 -18.720 -9.147 -1.764 54 1HG GLN 9 HG2 GLN 9 -17.345 -8.049 -0.293 55 2HG GLN 9 HG1 GLN 9 -16.852 -6.846 -1.486 56 H MET 10 HN MET 10 -17.583 -6.259 -3.165 57 HA MET 10 HA MET 10 -17.953 -5.450 -5.678 58 1HB MET 10 HB2 MET 10 -16.575 -3.359 -5.056 59 2HB MET 10 HB1 MET 10 -17.999 -3.752 -4.107 60 1HG MET 10 HG2 MET 10 -16.465 -4.888 -2.478 61 2HG MET 10 HG1 MET 10 -15.125 -4.190 -3.374 62 1HE MET 10 HE1 MET 10 -14.597 -2.160 -0.567 63 2HE MET 10 HE2 MET 10 -14.226 -1.439 -2.130 64 3HE MET 10 HE3 MET 10 -14.059 -3.181 -1.897 65 H ASP 11 HN ASP 11 -16.975 -6.204 -7.450 66 HA ASP 11 HA ASP 11 -14.353 -7.104 -7.641 67 1HB ASP 11 HB2 ASP 11 -15.945 -5.925 -9.921 68 2HB ASP 11 HB1 ASP 11 -14.666 -7.131 -10.023 69 H ILE 12 HN ILE 12 -13.004 -5.978 -9.648 70 HA ILE 12 HA ILE 12 -12.344 -3.322 -8.579 71 HB ILE 12 HB ILE 12 -10.333 -4.168 -10.401 72 H THR 13 HN THR 13 -11.957 -1.598 -9.943 73 HA THR 13 HA THR 13 -12.516 -1.855 -12.779 74 HB THR 13 HB THR 13 -14.013 0.362 -12.170 75 HG1 THR 13 HG1 THR 13 -14.581 -1.597 -10.208 76 HA PRO 14 HA PRO 14 -9.722 1.445 -13.690 77 1HB PRO 14 HB2 PRO 14 -12.045 3.313 -13.977 78 2HB PRO 14 HB1 PRO 14 -10.630 3.118 -15.019 79 1HG PRO 14 HG2 PRO 14 -12.965 2.038 -15.697 80 2HG PRO 14 HG1 PRO 14 -11.444 1.171 -15.984 81 1HD PRO 14 HD2 PRO 14 -13.553 0.667 -13.964 82 2HD PRO 14 HD1 PRO 14 -12.415 -0.467 -14.715 83 H ALA 15 HN ALA 15 -12.429 2.560 -11.652 84 HA ALA 15 HA ALA 15 -11.129 4.700 -10.424 85 1HB ALA 15 HB1 ALA 15 -12.787 3.909 -8.456 86 2HB ALA 15 HB2 ALA 15 -13.494 3.042 -9.819 87 3HB ALA 15 HB3 ALA 15 -13.321 4.796 -9.884 88 H ILE 16 HN ILE 16 -11.921 1.849 -8.462 89 HA ILE 16 HA ILE 16 -9.936 2.182 -6.583 90 HB ILE 16 HB ILE 16 -10.051 -0.412 -6.394 91 H ARG 17 HN ARG 17 -9.799 0.035 -9.437 92 HA ARG 17 HA ARG 17 -7.301 -1.001 -9.267 93 1HB ARG 17 HB2 ARG 17 -8.956 -1.269 -11.167 94 2HB ARG 17 HB1 ARG 17 -8.337 0.241 -11.819 95 1HG ARG 17 HG2 ARG 17 -6.321 -0.678 -12.411 96 2HG ARG 17 HG1 ARG 17 -6.423 -1.955 -11.198 97 1HD ARG 17 HD2 ARG 17 -8.560 -2.085 -13.174 98 2HD ARG 17 HD1 ARG 17 -6.954 -2.221 -13.888 99 HE ARG 17 HE ARG 17 -7.378 -3.904 -11.587 100 1HH1 ARG 17 HH11 ARG 17 -7.652 -3.649 -15.058 101 2HH1 ARG 17 HH12 ARG 17 -7.617 -5.362 -15.311 102 1HH2 ARG 17 HH21 ARG 17 -7.333 -6.157 -11.919 103 2HH2 ARG 17 HH22 ARG 17 -7.437 -6.785 -13.530 104 H GLU 18 HN GLU 18 -8.022 2.116 -10.824 105 HA GLU 18 HA GLU 18 -5.360 2.947 -11.143 106 1HB GLU 18 HB2 GLU 18 -7.172 4.010 -12.365 107 2HB GLU 18 HB1 GLU 18 -7.910 4.562 -10.867 108 1HG GLU 18 HG2 GLU 18 -6.067 6.056 -10.457 109 2HG GLU 18 HG1 GLU 18 -5.204 5.432 -11.863 110 H HIS 19 HN HIS 19 -7.668 3.371 -8.507 111 HA HIS 19 HA HIS 19 -6.138 5.135 -6.927 112 1HB HIS 19 HB2 HIS 19 -8.638 4.376 -6.760 113 2HB HIS 19 HB1 HIS 19 -7.994 3.073 -5.772 114 HD1 HIS 19 HD1 HIS 19 -6.838 6.681 -5.636 115 HD2 HIS 19 HD2 HIS 19 -8.924 3.874 -3.423 116 HE1 HIS 19 HE1 HIS 19 -7.232 7.764 -3.396 117 HE2 HIS 19 HE2 HIS 19 -8.603 6.087 -2.107 118 H LEU 20 HN LEU 20 -6.807 1.712 -6.313 119 HA LEU 20 HA LEU 20 -4.942 1.096 -4.437 120 1HB LEU 20 HB2 LEU 20 -5.555 -0.712 -6.763 121 2HB LEU 20 HB1 LEU 20 -5.156 -1.170 -5.118 122 HG LEU 20 HG LEU 20 -7.695 0.227 -5.968 123 H GLU 21 HN GLU 21 -4.426 0.886 -7.968 124 HA GLU 21 HA GLU 21 -1.694 0.229 -7.854 125 1HB GLU 21 HB2 GLU 21 -3.169 1.755 -10.015 126 2HB GLU 21 HB1 GLU 21 -1.601 0.981 -10.194 127 1HG GLU 21 HG2 GLU 21 -2.489 -1.124 -10.244 128 2HG GLU 21 HG1 GLU 21 -3.916 -0.665 -9.320 129 H GLU 22 HN GLU 22 -3.259 3.391 -8.433 130 HA GLU 22 HA GLU 22 -0.999 4.986 -8.477 131 1HB GLU 22 HB2 GLU 22 -3.251 5.838 -8.969 132 2HB GLU 22 HB1 GLU 22 -3.697 5.660 -7.278 133 1HG GLU 22 HG2 GLU 22 -3.190 7.854 -7.247 134 2HG GLU 22 HG1 GLU 22 -1.566 7.225 -6.970 135 H ARG 23 HN ARG 23 -2.707 3.589 -5.759 136 HA ARG 23 HA ARG 23 -1.411 5.017 -3.691 137 1HB ARG 23 HB2 ARG 23 -3.435 3.183 -3.735 138 2HB ARG 23 HB1 ARG 23 -2.112 2.211 -3.105 139 1HG ARG 23 HG2 ARG 23 -3.041 4.836 -1.966 140 2HG ARG 23 HG1 ARG 23 -3.449 3.241 -1.337 141 1HD ARG 23 HD2 ARG 23 -0.584 3.633 -1.683 142 2HD ARG 23 HD1 ARG 23 -1.307 4.786 -0.570 143 HE ARG 23 HE ARG 23 -1.799 3.053 0.888 144 1HH1 ARG 23 HH11 ARG 23 -0.470 1.796 -2.088 145 2HH1 ARG 23 HH12 ARG 23 -0.193 0.216 -1.438 146 1HH2 ARG 23 HH21 ARG 23 -1.434 0.976 1.737 147 2HH2 ARG 23 HH22 ARG 23 -0.741 -0.251 0.730 148 H LEU 24 HN LEU 24 -0.754 1.860 -5.199 149 HA LEU 24 HA LEU 24 1.571 1.260 -3.744 150 1HB LEU 24 HB2 LEU 24 0.465 -0.409 -5.115 151 2HB LEU 24 HB1 LEU 24 0.798 0.510 -6.567 152 HG LEU 24 HG LEU 24 3.311 0.168 -5.739 153 H ALA 25 HN ALA 25 1.177 2.810 -6.926 154 HA ALA 25 HA ALA 25 3.867 3.351 -7.430 155 1HB ALA 25 HB1 ALA 25 2.041 5.438 -8.359 156 2HB ALA 25 HB2 ALA 25 1.507 3.804 -8.750 157 3HB ALA 25 HB3 ALA 25 3.095 4.363 -9.276 158 H LYS 26 HN LYS 26 1.519 4.982 -5.427 159 HA LYS 26 HA LYS 26 3.065 7.350 -5.011 160 1HB LYS 26 HB2 LYS 26 0.609 7.293 -4.723 161 2HB LYS 26 HB1 LYS 26 0.805 6.204 -3.358 162 1HG LYS 26 HG2 LYS 26 0.719 8.076 -2.140 163 2HG LYS 26 HG1 LYS 26 2.409 8.259 -2.614 164 1HD LYS 26 HD2 LYS 26 1.921 10.154 -3.668 165 2HD LYS 26 HD1 LYS 26 0.778 9.297 -4.704 166 1HE LYS 26 HE2 LYS 26 -1.031 9.839 -3.384 167 2HE LYS 26 HE1 LYS 26 -0.045 10.053 -1.938 168 1HZ LYS 26 HZ1 LYS 26 0.862 12.086 -2.963 169 2HZ LYS 26 HZ2 LYS 26 -0.807 12.177 -2.703 170 3HZ LYS 26 HZ3 LYS 26 -0.209 11.899 -4.260 171 H LEU 27 HN LEU 27 2.666 4.267 -3.357 172 HA LEU 27 HA LEU 27 4.330 5.043 -1.138 173 1HB LEU 27 HB2 LEU 27 2.716 2.708 -1.883 174 2HB LEU 27 HB1 LEU 27 4.190 2.306 -1.023 175 HG LEU 27 HG LEU 27 1.972 4.107 -0.055 176 H GLY 28 HN GLY 28 4.911 4.023 -4.307 177 1HA GLY 28 HA2 GLY 28 7.171 2.387 -4.030 178 2HA GLY 28 HA1 GLY 28 6.828 3.415 -5.413 179 H LYS 29 HN LYS 29 6.791 5.840 -3.749 180 HA LYS 29 HA LYS 29 9.510 6.570 -4.002 181 1HB LYS 29 HB2 LYS 29 7.808 8.248 -4.226 182 2HB LYS 29 HB1 LYS 29 7.168 7.897 -2.629 183 1HG LYS 29 HG2 LYS 29 9.537 8.618 -1.821 184 2HG LYS 29 HG1 LYS 29 9.619 9.405 -3.396 185 1HD LYS 29 HD2 LYS 29 8.585 11.123 -2.404 186 2HD LYS 29 HD1 LYS 29 7.132 10.129 -2.486 187 1HE LYS 29 HE2 LYS 29 7.130 9.725 -0.268 188 2HE LYS 29 HE1 LYS 29 8.885 9.580 -0.192 189 1HZ LYS 29 HZ1 LYS 29 8.672 11.518 0.911 190 2HZ LYS 29 HZ2 LYS 29 7.197 11.917 0.187 191 3HZ LYS 29 HZ3 LYS 29 8.645 12.179 -0.646 192 H TRP 30 HN TRP 30 7.678 5.174 -1.428 193 HA TRP 30 HA TRP 30 9.366 5.941 0.715 194 1HB TRP 30 HB2 TRP 30 7.226 3.863 0.368 195 2HB TRP 30 HB1 TRP 30 8.171 3.968 1.849 196 HD1 TRP 30 HD1 TRP 30 5.712 6.101 -0.236 197 HE1 TRP 30 HE1 TRP 30 4.612 7.808 1.349 198 HE3 TRP 30 HE3 TRP 30 8.374 5.096 3.979 199 HZ2 TRP 30 HZ2 TRP 30 4.860 8.620 4.055 200 HZ3 TRP 30 HZ3 TRP 30 7.906 6.379 6.018 201 HH2 TRP 30 HH2 TRP 30 6.181 8.105 6.058 202 H GLN 31 HN GLN 31 11.481 5.443 0.423 203 HA GLN 31 HA GLN 31 12.802 3.528 -0.833 204 1HB GLN 31 HB2 GLN 31 14.512 3.532 1.013 205 2HB GLN 31 HB1 GLN 31 14.053 5.112 0.400 206 1HG GLN 31 HG2 GLN 31 12.739 3.962 2.831 207 2HG GLN 31 HG1 GLN 31 14.293 4.785 2.935 208 H THR 32 HN THR 32 11.197 1.773 -0.863 209 HA THR 32 HA THR 32 12.000 -0.332 0.936 210 HB THR 32 HB THR 32 9.269 0.903 0.880 211 HG1 THR 32 HG1 THR 32 9.515 0.226 3.159 212 H GLN 33 HN GLN 33 10.980 -2.438 0.188 213 HA GLN 33 HA GLN 33 10.499 -2.402 -2.707 214 1HB GLN 33 HB2 GLN 33 11.539 -4.812 -2.516 215 2HB GLN 33 HB1 GLN 33 12.566 -3.405 -2.727 216 1HG GLN 33 HG2 GLN 33 11.933 -4.450 0.001 217 2HG GLN 33 HG1 GLN 33 13.211 -5.169 -0.976 218 H LEU 34 HN LEU 34 8.361 -2.542 -2.585 219 HA LEU 34 HA LEU 34 6.898 -3.986 -0.745 220 1HB LEU 34 HB2 LEU 34 6.238 -3.060 -3.529 221 2HB LEU 34 HB1 LEU 34 5.058 -3.837 -2.498 222 HG LEU 34 HG LEU 34 4.714 -1.975 -1.261 223 H ILE 35 HN ILE 35 7.867 -6.036 -0.547 224 HA ILE 35 HA ILE 35 8.188 -7.896 -2.622 225 HB ILE 35 HB ILE 35 7.728 -8.321 0.330 226 H SER 36 HN SER 36 6.472 -8.227 -3.954 227 HA SER 36 HA SER 36 4.373 -8.779 -4.676 228 1HB SER 36 HB2 SER 36 5.382 -10.853 -3.223 229 2HB SER 36 HB1 SER 36 3.872 -10.558 -2.361 230 HG SER 36 HG SER 36 2.822 -10.696 -4.443 231 HA PRO 37 HA PRO 37 1.996 -6.137 -1.873 232 1HB PRO 37 HB2 PRO 37 1.429 -4.236 -3.664 233 2HB PRO 37 HB1 PRO 37 3.024 -4.356 -2.916 234 1HG PRO 37 HG2 PRO 37 2.179 -5.081 -5.660 235 2HG PRO 37 HG1 PRO 37 3.751 -4.534 -5.082 236 1HD PRO 37 HD2 PRO 37 2.910 -7.189 -5.615 237 2HD PRO 37 HD1 PRO 37 4.452 -6.658 -4.920 238 H HIS 38 HN HIS 38 -0.076 -6.502 -1.435 239 HA HIS 38 HA HIS 38 -1.945 -7.020 -3.651 240 1HB HIS 38 HB2 HIS 38 -1.353 -8.653 -1.333 241 2HB HIS 38 HB1 HIS 38 -3.049 -8.235 -1.400 242 HD1 HIS 38 HD1 HIS 38 -0.901 -10.811 -2.400 243 HD2 HIS 38 HD2 HIS 38 -4.014 -8.792 -4.262 244 HE1 HIS 38 HE1 HIS 38 -1.712 -12.350 -4.214 245 HE2 HIS 38 HE2 HIS 38 -3.513 -11.055 -5.406 246 H PHE 39 HN PHE 39 -4.254 -6.766 -2.865 247 HA PHE 39 HA PHE 39 -4.635 -4.843 -0.759 248 1HB PHE 39 HB2 PHE 39 -4.419 -3.974 -3.492 249 2HB PHE 39 HB1 PHE 39 -6.034 -3.667 -2.875 250 HD1 PHE 39 HD1 PHE 39 -6.477 -1.907 -1.417 251 HD2 PHE 39 HD2 PHE 39 -2.455 -3.070 -2.170 252 HE1 PHE 39 HE1 PHE 39 -5.682 0.089 -0.222 253 HE2 PHE 39 HE2 PHE 39 -1.651 -1.075 -0.976 254 HZ PHE 39 HZ PHE 39 -3.267 0.508 0.001 255 H VAL 40 HN VAL 40 -6.166 -5.881 0.343 256 HA VAL 40 HA VAL 40 -8.345 -7.161 -1.119 257 HB VAL 40 HB VAL 40 -7.565 -7.341 1.797 258 H LEU 41 HN LEU 41 -9.903 -5.730 -1.573 259 HA LEU 41 HA LEU 41 -10.731 -3.829 0.516 260 1HB LEU 41 HB2 LEU 41 -11.675 -2.482 -1.278 261 2HB LEU 41 HB1 LEU 41 -9.968 -2.768 -1.535 262 HG LEU 41 HG LEU 41 -12.011 -4.478 -2.883 263 H ASN 42 HN ASN 42 -12.904 -3.570 1.032 264 HA ASN 42 HA ASN 42 -14.858 -5.200 -0.324 265 1HB ASN 42 HB2 ASN 42 -14.536 -5.571 2.646 266 2HB ASN 42 HB1 ASN 42 -15.590 -6.462 1.556 267 H LYS 43 HN LYS 43 -17.060 -4.889 0.578 268 HA LYS 43 HA LYS 43 -17.388 -2.182 1.724 269 1HB LYS 43 HB2 LYS 43 -18.178 -1.705 -0.369 270 2HB LYS 43 HB1 LYS 43 -18.543 -3.384 -0.738 271 1HG LYS 43 HG2 LYS 43 -20.579 -3.252 0.617 272 2HG LYS 43 HG1 LYS 43 -20.206 -1.582 1.029 273 1HD LYS 43 HD2 LYS 43 -21.867 -1.726 -0.773 274 2HD LYS 43 HD1 LYS 43 -20.387 -0.930 -1.308 275 1HE LYS 43 HE2 LYS 43 -21.178 -2.477 -3.002 276 2HE LYS 43 HE1 LYS 43 -19.643 -3.029 -2.335 277 1HZ LYS 43 HZ1 LYS 43 -21.713 -4.626 -2.631 278 2HZ LYS 43 HZ2 LYS 43 -22.077 -4.044 -1.086 279 3HZ LYS 43 HZ3 LYS 43 -20.602 -4.822 -1.370 280 H VAL 44 HN VAL 44 -19.597 -1.882 2.655 281 HA VAL 44 HA VAL 44 -21.124 -4.181 3.346 282 HB VAL 44 HB VAL 44 -20.877 -3.679 5.829 283 HA PRO 45 HA PRO 45 -24.489 -1.400 3.761 284 1HB PRO 45 HB2 PRO 45 -24.924 -2.460 6.514 285 2HB PRO 45 HB1 PRO 45 -26.070 -2.298 5.178 286 1HG PRO 45 HG2 PRO 45 -25.057 -4.676 5.810 287 2HG PRO 45 HG1 PRO 45 -25.305 -4.214 4.116 288 1HD PRO 45 HD2 PRO 45 -22.777 -4.367 5.689 289 2HD PRO 45 HD1 PRO 45 -23.063 -4.710 3.971 290 H ASN 46 HN ASN 46 -22.552 -1.675 6.720 291 HA ASN 46 HA ASN 46 -23.221 0.988 7.579 292 1HB ASN 46 HB2 ASN 46 -21.530 -1.233 8.641 293 2HB ASN 46 HB1 ASN 46 -21.275 0.397 9.259 294 H GLY 47 HN GLY 47 -21.236 0.014 5.152 295 1HA GLY 47 HA2 GLY 47 -20.063 2.268 4.429 296 2HA GLY 47 HA1 GLY 47 -19.050 1.822 5.783 297 H PHE 48 HN PHE 48 -17.276 1.593 4.557 298 HA PHE 48 HA PHE 48 -17.205 -0.725 2.760 299 1HB PHE 48 HB2 PHE 48 -15.861 1.934 2.553 300 2HB PHE 48 HB1 PHE 48 -15.136 0.541 1.818 301 HD1 PHE 48 HD1 PHE 48 -16.104 -0.499 -0.108 302 HD2 PHE 48 HD2 PHE 48 -17.925 2.888 1.695 303 HE1 PHE 48 HE1 PHE 48 -17.471 -0.176 -2.123 304 HE2 PHE 48 HE2 PHE 48 -19.305 3.220 -0.318 305 HZ PHE 48 HZ PHE 48 -19.067 1.678 -2.231 306 H SER 49 HN SER 49 -15.984 -2.341 3.516 307 HA SER 49 HA SER 49 -13.965 -1.713 5.542 308 1HB SER 49 HB2 SER 49 -14.170 -4.511 5.244 309 2HB SER 49 HB1 SER 49 -14.699 -3.525 6.598 310 HG SER 49 HG SER 49 -16.472 -4.643 5.847 311 H VAL 50 HN VAL 50 -11.994 -1.626 4.930 312 HA VAL 50 HA VAL 50 -11.144 -3.132 2.543 313 HB VAL 50 HB VAL 50 -11.481 -0.708 2.103 314 H GLU 51 HN GLU 51 -8.942 -3.760 2.459 315 HA GLU 51 HA GLU 51 -7.268 -3.382 4.797 316 1HB GLU 51 HB2 GLU 51 -8.407 -5.273 5.602 317 2HB GLU 51 HB1 GLU 51 -8.464 -6.019 4.022 318 1HG GLU 51 HG2 GLU 51 -5.932 -6.226 4.196 319 2HG GLU 51 HG1 GLU 51 -6.141 -5.825 5.899 320 H ALA 52 HN ALA 52 -5.176 -3.331 4.276 321 HA ALA 52 HA ALA 52 -4.442 -4.129 1.537 322 1HB ALA 52 HB1 ALA 52 -2.594 -2.416 1.816 323 2HB ALA 52 HB2 ALA 52 -3.455 -1.871 3.256 324 3HB ALA 52 HB3 ALA 52 -4.236 -1.786 1.678 325 H SER 53 HN SER 53 -2.333 -4.981 1.189 326 HA SER 53 HA SER 53 -0.754 -5.790 3.470 327 1HB SER 53 HB2 SER 53 -1.865 -7.916 1.630 328 2HB SER 53 HB1 SER 53 -0.880 -8.160 3.073 329 HG SER 53 HG SER 53 -3.418 -8.249 3.035 330 H ILE 54 HN ILE 54 1.285 -5.385 2.897 331 HA ILE 54 HA ILE 54 2.189 -6.139 0.210 332 HB ILE 54 HB ILE 54 2.936 -3.485 1.431 333 H GLY 55 HN GLY 55 3.836 -7.519 0.516 334 1HA GLY 55 HA2 GLY 55 5.220 -7.853 2.904 335 2HA GLY 55 HA1 GLY 55 5.718 -8.486 1.357 336 H THR 56 HN THR 56 7.267 -7.437 3.493 337 HA THR 56 HA THR 56 8.914 -5.618 1.967 338 HB THR 56 HB THR 56 8.799 -3.770 3.238 339 HG1 THR 56 HG1 THR 56 8.143 -5.084 5.626 340 HA PRO 57 HA PRO 57 12.103 -8.149 3.747 341 1HB PRO 57 HB2 PRO 57 13.777 -5.712 3.843 342 2HB PRO 57 HB1 PRO 57 14.082 -7.254 3.040 343 1HG PRO 57 HG2 PRO 57 13.426 -5.027 1.683 344 2HG PRO 57 HG1 PRO 57 12.947 -6.643 1.143 345 1HD PRO 57 HD2 PRO 57 11.327 -4.500 2.413 346 2HD PRO 57 HD1 PRO 57 10.856 -5.745 1.239 347 H LEU 58 HN LEU 58 10.885 -5.240 5.156 348 HA LEU 58 HA LEU 58 12.232 -5.797 7.694 349 1HB LEU 58 HB2 LEU 58 10.792 -3.378 6.638 350 2HB LEU 58 HB1 LEU 58 11.250 -3.535 8.324 351 HG LEU 58 HG LEU 58 13.606 -4.086 6.975 352 H GLY 59 HN GLY 59 9.367 -6.534 6.185 353 1HA GLY 59 HA2 GLY 59 8.071 -7.993 7.882 354 2HA GLY 59 HA1 GLY 59 7.785 -6.454 8.660 355 H ASN 60 HN ASN 60 6.258 -8.635 6.980 356 HA ASN 60 HA ASN 60 5.159 -7.552 4.710 357 1HB ASN 60 HB2 ASN 60 3.666 -9.175 6.767 358 2HB ASN 60 HB1 ASN 60 3.279 -9.028 5.058 359 H LEU 61 HN LEU 61 4.084 -5.727 4.339 360 HA LEU 61 HA LEU 61 2.993 -4.142 6.460 361 1HB LEU 61 HB2 LEU 61 2.839 -3.884 3.455 362 2HB LEU 61 HB1 LEU 61 2.054 -2.765 4.542 363 HG LEU 61 HG LEU 61 4.918 -3.115 5.077 364 H LEU 62 HN LEU 62 0.878 -3.859 7.032 365 HA LEU 62 HA LEU 62 -1.238 -5.043 5.478 366 1HB LEU 62 HB2 LEU 62 -0.948 -5.910 8.338 367 2HB LEU 62 HB1 LEU 62 -2.102 -6.484 7.158 368 HG LEU 62 HG LEU 62 0.862 -6.955 6.892 369 H ALA 63 HN ALA 63 -3.284 -4.289 6.065 370 HA ALA 63 HA ALA 63 -3.685 -2.574 8.308 371 1HB ALA 63 HB1 ALA 63 -3.274 -1.340 5.604 372 2HB ALA 63 HB2 ALA 63 -2.512 -0.919 7.139 373 3HB ALA 63 HB3 ALA 63 -4.214 -0.542 6.865 374 H SER 64 HN SER 64 -5.869 -1.556 8.253 375 HA SER 64 HA SER 64 -7.773 -2.478 6.331 376 1HB SER 64 HB2 SER 64 -9.083 -3.682 8.304 377 2HB SER 64 HB1 SER 64 -7.906 -4.552 7.320 378 HG SER 64 HG SER 64 -7.806 -4.574 9.791 379 H ALA 65 HN ALA 65 -9.622 -1.273 6.392 380 HA ALA 65 HA ALA 65 -10.262 0.256 8.784 381 1HB ALA 65 HB1 ALA 65 -10.032 2.379 7.883 382 2HB ALA 65 HB2 ALA 65 -9.996 1.781 6.224 383 3HB ALA 65 HB3 ALA 65 -8.603 1.540 7.278 384 H THR 66 HN THR 66 -12.380 0.775 8.971 385 HA THR 66 HA THR 66 -14.153 0.028 6.739 386 HB THR 66 HB THR 66 -14.655 -0.261 9.709 387 HG1 THR 66 HG1 THR 66 -13.644 -2.060 9.347 388 H SER 67 HN SER 67 -15.237 1.746 5.934 389 HA SER 67 HA SER 67 -16.427 3.674 7.704 390 1HB SER 67 HB2 SER 67 -13.844 4.210 6.555 391 2HB SER 67 HB1 SER 67 -15.027 5.341 5.917 392 HG SER 67 HG SER 67 -13.853 5.669 8.111 393 H ASP 68 HN ASP 68 -17.812 5.190 6.594 394 HA ASP 68 HA ASP 68 -19.099 3.994 4.334 395 1HB ASP 68 HB2 ASP 68 -20.028 5.510 6.339 396 2HB ASP 68 HB1 ASP 68 -19.777 6.774 5.139 397 H ASP 69 HN ASP 69 -16.336 5.737 4.501 398 HA ASP 69 HA ASP 69 -16.824 7.058 1.919 399 1HB ASP 69 HB2 ASP 69 -15.170 7.818 4.291 400 2HB ASP 69 HB1 ASP 69 -14.658 8.344 2.688 401 H MET 70 HN MET 70 -16.278 5.436 0.568 402 HA MET 70 HA MET 70 -14.470 3.481 0.606 403 1HB MET 70 HB2 MET 70 -15.776 5.053 -1.426 404 2HB MET 70 HB1 MET 70 -14.189 4.540 -1.974 405 1HG MET 70 HG2 MET 70 -15.402 2.306 -0.756 406 2HG MET 70 HG1 MET 70 -16.612 3.051 -1.797 407 1HE MET 70 HE1 MET 70 -12.431 2.077 -2.682 408 2HE MET 70 HE2 MET 70 -13.199 0.489 -2.574 409 3HE MET 70 HE3 MET 70 -13.348 1.629 -1.235 410 H TYR 71 HN TYR 71 -13.559 6.489 -1.067 411 HA TYR 71 HA TYR 71 -10.834 5.843 -1.095 412 1HB TYR 71 HB2 TYR 71 -12.435 8.228 -1.803 413 2HB TYR 71 HB1 TYR 71 -10.709 8.474 -1.526 414 HD1 TYR 71 HD1 TYR 71 -10.536 9.093 -3.968 415 HD2 TYR 71 HD2 TYR 71 -11.723 5.212 -2.687 416 HE1 TYR 71 HE1 TYR 71 -10.041 8.198 -6.205 417 HE2 TYR 71 HE2 TYR 71 -11.220 4.304 -4.896 418 HH TYR 71 HH TYR 71 -9.523 6.097 -7.280 419 H LYS 72 HN LYS 72 -12.750 7.291 1.378 420 HA LYS 72 HA LYS 72 -10.529 8.479 2.762 421 1HB LYS 72 HB2 LYS 72 -12.896 9.190 3.066 422 2HB LYS 72 HB1 LYS 72 -13.156 7.669 3.885 423 1HG LYS 72 HG2 LYS 72 -12.484 8.552 5.794 424 2HG LYS 72 HG1 LYS 72 -10.911 8.897 5.074 425 1HD LYS 72 HD2 LYS 72 -11.359 11.081 4.892 426 2HD LYS 72 HD1 LYS 72 -12.971 10.780 4.240 427 1HE LYS 72 HE2 LYS 72 -12.178 10.723 7.149 428 2HE LYS 72 HE1 LYS 72 -13.108 11.987 6.347 429 1HZ LYS 72 HZ1 LYS 72 -14.566 9.839 5.756 430 2HZ LYS 72 HZ2 LYS 72 -14.833 10.799 7.123 431 3HZ LYS 72 HZ3 LYS 72 -13.949 9.364 7.258 432 H ALA 73 HN ALA 73 -12.325 5.452 2.809 433 HA ALA 73 HA ALA 73 -11.097 4.274 5.061 434 1HB ALA 73 HB1 ALA 73 -13.114 3.515 3.399 435 2HB ALA 73 HB2 ALA 73 -12.304 2.425 4.525 436 3HB ALA 73 HB3 ALA 73 -11.809 2.471 2.833 437 H ILE 74 HN ILE 74 -10.437 4.261 1.608 438 HA ILE 74 HA ILE 74 -8.018 2.768 1.699 439 HB ILE 74 HB ILE 74 -9.311 4.614 -0.289 440 H ASN 75 HN ASN 75 -8.962 6.100 1.996 441 HA ASN 75 HA ASN 75 -6.501 7.401 2.020 442 1HB ASN 75 HB2 ASN 75 -9.056 8.155 2.120 443 2HB ASN 75 HB1 ASN 75 -8.722 8.287 3.837 444 H GLU 76 HN GLU 76 -8.353 5.741 4.490 445 HA GLU 76 HA GLU 76 -6.607 6.341 6.666 446 1HB GLU 76 HB2 GLU 76 -9.130 5.107 6.306 447 2HB GLU 76 HB1 GLU 76 -8.097 3.916 7.087 448 1HG GLU 76 HG2 GLU 76 -7.827 5.188 8.983 449 2HG GLU 76 HG1 GLU 76 -8.180 6.700 8.147 450 H VAL 77 HN VAL 77 -7.188 3.358 4.768 451 HA VAL 77 HA VAL 77 -5.298 1.696 5.849 452 HB VAL 77 HB VAL 77 -5.733 1.887 2.874 453 H GLU 78 HN GLU 78 -4.817 3.940 3.126 454 HA GLU 78 HA GLU 78 -2.139 3.454 2.702 455 1HB GLU 78 HB2 GLU 78 -3.433 4.838 1.181 456 2HB GLU 78 HB1 GLU 78 -3.643 6.063 2.423 457 1HG GLU 78 HG2 GLU 78 -0.903 5.285 1.530 458 2HG GLU 78 HG1 GLU 78 -1.873 6.399 0.569 459 H GLU 79 HN GLU 79 -3.689 5.452 5.125 460 HA GLU 79 HA GLU 79 -1.302 6.663 6.087 461 1HB GLU 79 HB2 GLU 79 -3.961 7.103 6.512 462 2HB GLU 79 HB1 GLU 79 -3.515 6.292 8.006 463 1HG GLU 79 HG2 GLU 79 -2.731 8.201 8.783 464 2HG GLU 79 HG1 GLU 79 -1.518 8.207 7.505 465 H LYS 80 HN LYS 80 -3.228 3.851 7.081 466 HA LYS 80 HA LYS 80 -1.599 3.146 9.283 467 1HB LYS 80 HB2 LYS 80 -3.958 2.197 8.193 468 2HB LYS 80 HB1 LYS 80 -2.837 0.879 7.897 469 1HG LYS 80 HG2 LYS 80 -2.287 0.802 10.269 470 2HG LYS 80 HG1 LYS 80 -3.393 2.143 10.573 471 1HD LYS 80 HD2 LYS 80 -5.146 0.596 9.420 472 2HD LYS 80 HD1 LYS 80 -4.002 -0.687 9.820 473 1HE LYS 80 HE2 LYS 80 -4.786 1.252 11.941 474 2HE LYS 80 HE1 LYS 80 -5.931 -0.005 11.479 475 1HZ LYS 80 HZ1 LYS 80 -4.808 -1.164 13.028 476 2HZ LYS 80 HZ2 LYS 80 -3.405 -0.227 12.895 477 3HZ LYS 80 HZ3 LYS 80 -3.719 -1.444 11.763 478 H LEU 81 HN LEU 81 -1.759 1.827 5.983 479 HA LEU 81 HA LEU 81 0.412 0.111 6.105 480 1HB LEU 81 HB2 LEU 81 -1.301 1.163 4.092 481 2HB LEU 81 HB1 LEU 81 0.344 1.344 3.517 482 HG LEU 81 HG LEU 81 -1.029 -0.806 2.960 483 H GLU 82 HN GLU 82 0.358 3.582 5.257 484 HA GLU 82 HA GLU 82 3.127 3.789 4.729 485 1HB GLU 82 HB2 GLU 82 1.353 5.475 4.140 486 2HB GLU 82 HB1 GLU 82 1.341 5.960 5.826 487 1HG GLU 82 HG2 GLU 82 3.988 5.917 4.567 488 2HG GLU 82 HG1 GLU 82 2.859 7.101 3.906 489 H ARG 83 HN ARG 83 1.205 4.499 7.621 490 HA ARG 83 HA ARG 83 3.185 5.309 9.358 491 1HB ARG 83 HB2 ARG 83 0.629 5.053 9.731 492 2HB ARG 83 HB1 ARG 83 1.024 3.426 10.269 493 1HG ARG 83 HG2 ARG 83 2.241 4.203 12.106 494 2HG ARG 83 HG1 ARG 83 2.369 5.833 11.443 495 1HD ARG 83 HD2 ARG 83 -0.376 5.300 11.634 496 2HD ARG 83 HD1 ARG 83 0.333 4.696 13.130 497 HE ARG 83 HE ARG 83 0.790 6.856 13.756 498 1HH1 ARG 83 HH11 ARG 83 -0.066 6.801 10.373 499 2HH1 ARG 83 HH12 ARG 83 -0.161 8.525 10.241 500 1HH2 ARG 83 HH21 ARG 83 0.665 9.123 13.583 501 2HH2 ARG 83 HH22 ARG 83 0.254 9.843 12.062 502 H GLN 84 HN GLN 84 2.098 1.969 8.735 503 HA GLN 84 HA GLN 84 3.979 0.725 10.420 504 1HB GLN 84 HB2 GLN 84 3.204 -0.689 7.924 505 2HB GLN 84 HB1 GLN 84 3.264 -1.284 9.571 506 1HG GLN 84 HG2 GLN 84 1.228 0.522 9.691 507 2HG GLN 84 HG1 GLN 84 1.053 -0.125 8.063 508 H LEU 85 HN LEU 85 4.066 1.545 6.957 509 HA LEU 85 HA LEU 85 6.528 0.519 6.233 510 1HB LEU 85 HB2 LEU 85 4.785 2.660 5.311 511 2HB LEU 85 HB1 LEU 85 6.472 3.063 5.071 512 HG LEU 85 HG LEU 85 5.621 0.376 4.157 513 H ASN 86 HN ASN 86 5.783 3.635 7.729 514 HA ASN 86 HA ASN 86 8.399 4.587 8.020 515 1HB ASN 86 HB2 ASN 86 6.397 6.002 8.325 516 2HB ASN 86 HB1 ASN 86 5.983 5.097 9.778 517 H LYS 87 HN LYS 87 6.390 2.529 10.063 518 HA LYS 87 HA LYS 87 8.163 2.379 12.263 519 1HB LYS 87 HB2 LYS 87 5.658 1.283 11.568 520 2HB LYS 87 HB1 LYS 87 6.719 -0.091 11.863 521 1HG LYS 87 HG2 LYS 87 7.348 1.169 14.033 522 2HG LYS 87 HG1 LYS 87 5.860 2.072 13.742 523 1HD LYS 87 HD2 LYS 87 4.562 0.345 14.343 524 2HD LYS 87 HD1 LYS 87 5.552 -0.823 13.466 525 1HE LYS 87 HE2 LYS 87 6.803 0.305 15.872 526 2HE LYS 87 HE1 LYS 87 5.368 -0.675 16.172 527 1HZ LYS 87 HZ1 LYS 87 6.425 -2.432 14.792 528 2HZ LYS 87 HZ2 LYS 87 7.252 -2.096 16.229 529 3HZ LYS 87 HZ3 LYS 87 7.839 -1.503 14.757 530 H LEU 88 HN LEU 88 7.697 0.274 9.426 531 HA LEU 88 HA LEU 88 9.629 -1.625 10.067 532 1HB LEU 88 HB2 LEU 88 9.078 -0.698 7.253 533 2HB LEU 88 HB1 LEU 88 9.599 -2.286 7.776 534 HG LEU 88 HG LEU 88 6.870 -1.058 8.103 535 H GLN 89 HN GLN 89 9.918 1.192 7.938 536 HA GLN 89 HA GLN 89 12.688 0.994 7.515 537 1HB GLN 89 HB2 GLN 89 10.960 3.477 7.458 538 2HB GLN 89 HB1 GLN 89 12.560 3.323 6.744 539 1HG GLN 89 HG2 GLN 89 11.512 1.385 5.397 540 2HG GLN 89 HG1 GLN 89 9.977 2.114 5.857 541 H HIS 90 HN HIS 90 10.828 2.331 10.133 542 HA HIS 90 HA HIS 90 13.015 3.808 11.291 543 1HB HIS 90 HB2 HIS 90 10.212 3.156 12.123 544 2HB HIS 90 HB1 HIS 90 11.340 3.779 13.305 545 HD1 HIS 90 HD1 HIS 90 10.224 6.039 13.607 546 HD2 HIS 90 HD2 HIS 90 11.239 5.223 9.661 547 HE1 HIS 90 HE1 HIS 90 9.921 8.209 12.372 548 HE2 HIS 90 HE2 HIS 90 10.625 7.712 10.005 549 H LYS 91 HN LYS 91 11.055 1.126 12.545 550 HA LYS 91 HA LYS 91 12.722 0.431 14.614 551 1HB LYS 91 HB2 LYS 91 10.302 -0.417 13.754 552 2HB LYS 91 HB1 LYS 91 11.291 -1.807 13.328 553 1HG LYS 91 HG2 LYS 91 11.087 -2.507 15.417 554 2HG LYS 91 HG1 LYS 91 12.062 -1.126 15.923 555 1HD LYS 91 HD2 LYS 91 9.582 -0.005 15.599 556 2HD LYS 91 HD1 LYS 91 9.191 -1.614 16.214 557 1HE LYS 91 HE2 LYS 91 9.519 -0.659 18.224 558 2HE LYS 91 HE1 LYS 91 11.224 -0.926 17.861 559 1HZ LYS 91 HZ1 LYS 91 10.199 1.444 18.517 560 2HZ LYS 91 HZ2 LYS 91 10.099 1.540 16.831 561 3HZ LYS 91 HZ3 LYS 91 11.592 1.257 17.573 562 H SER 92 HN SER 92 13.335 -2.231 14.477 563 HA SER 92 HA SER 92 14.986 -2.723 12.148 564 1HB SER 92 HB2 SER 92 16.219 -2.451 14.901 565 2HB SER 92 HB1 SER 92 17.059 -3.012 13.454 566 HG SER 92 HG SER 92 16.627 -0.952 12.524 567 H GLU 93 HN GLU 93 14.653 -4.778 11.644 568 HA GLU 93 HA GLU 93 13.802 -6.646 13.722 569 1HB GLU 93 HB2 GLU 93 12.808 -6.238 11.250 570 2HB GLU 93 HB1 GLU 93 13.953 -7.525 10.896 571 1HG GLU 93 HG2 GLU 93 12.686 -9.077 11.869 572 2HG GLU 93 HG1 GLU 93 12.321 -8.047 13.252 573 H SER 94 HN SER 94 16.494 -5.921 13.857 574 HA SER 94 HA SER 94 18.042 -8.034 12.609 575 1HB SER 94 HB2 SER 94 19.190 -6.194 14.670 576 2HB SER 94 HB1 SER 94 19.933 -6.841 13.208 577 HG SER 94 HG SER 94 18.332 -5.459 12.077 578 H ARG 95 HN ARG 95 16.675 -7.242 15.719 579 HA ARG 95 HA ARG 95 17.360 -9.910 16.673 580 1HB ARG 95 HB2 ARG 95 18.411 -7.379 17.799 581 2HB ARG 95 HB1 ARG 95 17.824 -8.559 18.963 582 1HG ARG 95 HG2 ARG 95 19.419 -9.964 17.112 583 2HG ARG 95 HG1 ARG 95 20.300 -8.498 17.547 584 1HD ARG 95 HD2 ARG 95 20.981 -9.684 19.326 585 2HD ARG 95 HD1 ARG 95 19.381 -9.322 19.973 586 HE ARG 95 HE ARG 95 19.473 -11.702 18.359 587 1HH1 ARG 95 HH11 ARG 95 19.911 -10.397 21.567 588 2HH1 ARG 95 HH12 ARG 95 19.623 -11.910 22.357 589 1HH2 ARG 95 HH21 ARG 95 19.093 -13.693 19.399 590 2HH2 ARG 95 HH22 ARG 95 19.159 -13.781 21.127 591 H ARG 96 HN ARG 96 16.176 -10.450 18.701 592 HA ARG 96 HA ARG 96 14.239 -10.658 19.875 593 1HB ARG 96 HB2 ARG 96 13.864 -7.724 19.249 594 2HB ARG 96 HB1 ARG 96 13.034 -8.634 20.504 595 1HG ARG 96 HG2 ARG 96 14.622 -7.943 21.890 596 2HG ARG 96 HG1 ARG 96 15.709 -9.054 21.054 597 1HD ARG 96 HD2 ARG 96 16.775 -6.932 21.078 598 2HD ARG 96 HD1 ARG 96 16.198 -7.198 19.435 599 HE ARG 96 HE ARG 96 14.359 -5.731 21.087 600 1HH1 ARG 96 HH11 ARG 96 17.119 -5.493 18.966 601 2HH1 ARG 96 HH12 ARG 96 16.813 -3.840 18.548 602 1HH2 ARG 96 HH21 ARG 96 13.955 -3.557 20.539 603 2HH2 ARG 96 HH22 ARG 96 15.018 -2.741 19.442 604 H ALA 97 HN ALA 97 12.540 -11.741 19.151 605 HA ALA 97 HA ALA 97 10.700 -10.586 17.265 606 1HB ALA 97 HB1 ALA 97 10.903 -12.360 15.581 607 2HB ALA 97 HB2 ALA 97 12.287 -13.019 16.453 608 3HB ALA 97 HB3 ALA 97 12.387 -11.418 15.724 609 H ASP 98 HN ASP 98 10.100 -11.204 19.768 610 HA ASP 98 HA ASP 98 8.660 -13.770 19.597 611 1HB ASP 98 HB2 ASP 98 10.471 -13.661 21.338 612 2HB ASP 98 HB1 ASP 98 9.546 -12.393 22.136 613 H GLU 99 HN GLU 99 8.509 -10.387 20.521 614 HA GLU 99 HA GLU 99 6.032 -10.275 21.747 615 1HB GLU 99 HB2 GLU 99 5.925 -7.922 20.816 616 2HB GLU 99 HB1 GLU 99 7.367 -8.317 21.742 617 1HG GLU 99 HG2 GLU 99 8.729 -8.290 19.897 618 2HG GLU 99 HG1 GLU 99 7.410 -8.643 18.783 619 H ARG 100 HN ARG 100 4.067 -10.806 21.095 620 HA ARG 100 HA ARG 100 3.016 -10.070 18.558 621 1HB ARG 100 HB2 ARG 100 4.476 -12.370 18.417 622 2HB ARG 100 HB1 ARG 100 2.876 -13.007 18.770 623 1HG ARG 100 HG2 ARG 100 2.210 -11.319 16.825 624 2HG ARG 100 HG1 ARG 100 3.883 -11.627 16.355 625 1HD ARG 100 HD2 ARG 100 3.485 -13.980 16.228 626 2HD ARG 100 HD1 ARG 100 1.879 -13.801 16.934 627 HE ARG 100 HE ARG 100 2.633 -13.358 14.191 628 1HH1 ARG 100 HH11 ARG 100 0.292 -12.639 16.678 629 2HH1 ARG 100 HH12 ARG 100 -0.971 -12.267 15.555 630 1HH2 ARG 100 HH21 ARG 100 0.972 -12.866 12.713 631 2HH2 ARG 100 HH22 ARG 100 -0.586 -12.395 13.305 632 H LEU 101 HN LEU 101 0.850 -11.562 18.261 633 HA LEU 101 HA LEU 101 -1.255 -11.923 19.036 634 1HB LEU 101 HB2 LEU 101 0.473 -13.268 20.780 635 2HB LEU 101 HB1 LEU 101 -0.660 -12.429 21.821 636 HG LEU 101 HG LEU 101 -2.365 -13.533 20.018 637 H LYS 102 HN LYS 102 -1.959 -9.796 18.840 638 HA LYS 102 HA LYS 102 -1.920 -8.203 21.318 639 1HB LYS 102 HB2 LYS 102 -0.845 -7.302 19.147 640 2HB LYS 102 HB1 LYS 102 -2.498 -7.081 18.590 641 1HG LYS 102 HG2 LYS 102 -1.957 -5.009 19.458 642 2HG LYS 102 HG1 LYS 102 -2.830 -5.775 20.786 643 1HD LYS 102 HD2 LYS 102 0.061 -6.271 20.785 644 2HD LYS 102 HD1 LYS 102 -0.389 -4.579 21.004 645 1HE LYS 102 HE2 LYS 102 -1.478 -4.984 22.988 646 2HE LYS 102 HE1 LYS 102 -1.809 -6.668 22.585 647 1HZ LYS 102 HZ1 LYS 102 0.291 -7.323 23.208 648 2HZ LYS 102 HZ2 LYS 102 -0.018 -6.105 24.339 649 3HZ LYS 102 HZ3 LYS 102 0.967 -5.786 23.002 650 H ASP 103 HN ASP 103 -3.938 -9.017 18.503 651 HA ASP 103 HA ASP 103 -6.189 -9.201 18.245 652 1HB ASP 103 HB2 ASP 103 -5.756 -9.882 21.106 653 2HB ASP 103 HB1 ASP 103 -7.411 -9.544 20.607 654 H SER 104 HN SER 104 -7.121 -7.390 17.554 655 HA SER 104 HA SER 104 -7.229 -5.030 19.234 656 1HB SER 104 HB2 SER 104 -8.469 -4.121 17.136 657 2HB SER 104 HB1 SER 104 -6.745 -4.471 17.014 658 HG SER 104 HG SER 104 -8.731 -6.361 16.321 659 H PHE 105 HN PHE 105 -9.015 -4.172 20.177 660 HA PHE 105 HA PHE 105 -11.676 -4.934 19.549 661 1HB PHE 105 HB2 PHE 105 -10.635 -6.939 20.870 662 2HB PHE 105 HB1 PHE 105 -10.860 -5.896 22.269 663 HD1 PHE 105 HD1 PHE 105 -13.079 -5.328 23.055 664 HD2 PHE 105 HD2 PHE 105 -12.521 -7.872 19.690 665 HE1 PHE 105 HE1 PHE 105 -15.429 -6.041 23.210 666 HE2 PHE 105 HE2 PHE 105 -14.870 -8.589 19.838 667 HZ PHE 105 HZ PHE 105 -16.327 -7.672 21.599 668 H GLU 106 HN GLU 106 -11.661 -2.607 19.497 669 HA GLU 106 HA GLU 106 -12.161 -0.555 20.337 670 1HB GLU 106 HB2 GLU 106 -13.244 -2.453 22.318 671 2HB GLU 106 HB1 GLU 106 -12.990 -0.820 22.919 672 1HG GLU 106 HG2 GLU 106 -14.344 0.046 21.051 673 2HG GLU 106 HG1 GLU 106 -14.652 -1.614 20.540 674 H ASN 107 HN ASN 107 -9.471 -1.636 20.632 675 HA ASN 107 HA ASN 107 -8.566 0.114 22.811 676 1HB ASN 107 HB2 ASN 107 -7.536 -2.663 22.202 677 2HB ASN 107 HB1 ASN 107 -6.737 -1.528 23.286 Start of MODEL 18 1 1H MET 1 HT1 MET 1 5.833 -5.318 -9.858 2 2H MET 1 HT2 MET 1 6.965 -5.126 -8.584 3 3H MET 1 HT3 MET 1 6.096 -3.769 -9.174 4 HA MET 1 HA MET 1 5.189 -6.000 -7.523 5 1HB MET 1 HB2 MET 1 4.548 -3.059 -7.339 6 2HB MET 1 HB1 MET 1 4.485 -4.270 -6.068 7 1HG MET 1 HG2 MET 1 6.942 -3.095 -7.339 8 2HG MET 1 HG1 MET 1 6.364 -2.844 -5.694 9 1HE MET 1 HE1 MET 1 9.769 -5.028 -5.682 10 2HE MET 1 HE2 MET 1 9.083 -3.511 -5.100 11 3HE MET 1 HE3 MET 1 9.272 -3.786 -6.832 12 H THR 2 HN THR 2 3.663 -3.137 -8.998 13 HA THR 2 HA THR 2 1.799 -2.900 -10.273 14 HB THR 2 HB THR 2 1.457 -5.882 -10.394 15 HG1 THR 2 HG1 THR 2 3.472 -5.787 -11.100 16 H LEU 3 HN LEU 3 1.911 -4.296 -7.304 17 HA LEU 3 HA LEU 3 0.403 -4.792 -5.656 18 1HB LEU 3 HB2 LEU 3 0.317 -2.398 -5.639 19 2HB LEU 3 HB1 LEU 3 -0.825 -2.374 -6.967 20 HG LEU 3 HG LEU 3 -1.573 -3.718 -4.395 21 H ASN 4 HN ASN 4 -0.708 -6.642 -5.748 22 HA ASN 4 HA ASN 4 -2.740 -7.047 -7.776 23 1HB ASN 4 HB2 ASN 4 -2.020 -8.886 -5.493 24 2HB ASN 4 HB1 ASN 4 -2.888 -9.302 -6.964 25 H ILE 5 HN ILE 5 -4.930 -7.784 -7.163 26 HA ILE 5 HA ILE 5 -5.834 -6.714 -4.586 27 HB ILE 5 HB ILE 5 -7.201 -6.064 -7.196 28 H THR 6 HN THR 6 -7.986 -7.391 -3.964 29 HA THR 6 HA THR 6 -9.338 -9.468 -5.389 30 HB THR 6 HB THR 6 -7.814 -10.194 -2.881 31 HG1 THR 6 HG1 THR 6 -6.733 -11.615 -4.253 32 H SER 7 HN SER 7 -11.170 -8.205 -5.084 33 HA SER 7 HA SER 7 -11.980 -7.559 -2.354 34 1HB SER 7 HB2 SER 7 -13.953 -6.844 -4.311 35 2HB SER 7 HB1 SER 7 -12.990 -5.802 -3.291 36 HG SER 7 HG SER 7 -12.821 -5.927 -5.834 37 H LYS 8 HN LYS 8 -13.328 -8.810 -1.228 38 HA LYS 8 HA LYS 8 -14.289 -11.253 -2.188 39 1HB LYS 8 HB2 LYS 8 -15.180 -11.602 -0.079 40 2HB LYS 8 HB1 LYS 8 -13.902 -10.441 0.243 41 1HG LYS 8 HG2 LYS 8 -15.801 -8.684 -0.032 42 2HG LYS 8 HG1 LYS 8 -16.859 -10.061 0.277 43 1HD LYS 8 HD2 LYS 8 -14.660 -9.995 2.152 44 2HD LYS 8 HD1 LYS 8 -15.558 -8.476 2.172 45 1HE LYS 8 HE2 LYS 8 -17.572 -10.316 2.118 46 2HE LYS 8 HE1 LYS 8 -16.348 -11.150 3.074 47 1HZ LYS 8 HZ1 LYS 8 -16.289 -8.731 4.184 48 2HZ LYS 8 HZ2 LYS 8 -17.279 -9.987 4.738 49 3HZ LYS 8 HZ3 LYS 8 -17.914 -8.796 3.719 50 H GLN 9 HN GLN 9 -15.774 -8.080 -2.230 51 HA GLN 9 HA GLN 9 -18.114 -9.306 -3.520 52 1HB GLN 9 HB2 GLN 9 -19.299 -7.129 -2.617 53 2HB GLN 9 HB1 GLN 9 -19.154 -8.569 -1.622 54 1HG GLN 9 HG2 GLN 9 -16.921 -7.375 -0.860 55 2HG GLN 9 HG1 GLN 9 -17.805 -5.942 -1.375 56 H MET 10 HN MET 10 -17.606 -5.839 -3.152 57 HA MET 10 HA MET 10 -18.161 -5.188 -5.758 58 1HB MET 10 HB2 MET 10 -16.902 -3.061 -5.322 59 2HB MET 10 HB1 MET 10 -18.130 -3.462 -4.135 60 1HG MET 10 HG2 MET 10 -16.205 -4.499 -2.792 61 2HG MET 10 HG1 MET 10 -15.159 -3.586 -3.874 62 1HE MET 10 HE1 MET 10 -14.395 -0.882 -2.059 63 2HE MET 10 HE2 MET 10 -14.035 -2.591 -2.309 64 3HE MET 10 HE3 MET 10 -14.658 -2.041 -0.757 65 H ASP 11 HN ASP 11 -17.217 -6.086 -7.468 66 HA ASP 11 HA ASP 11 -14.659 -7.121 -7.611 67 1HB ASP 11 HB2 ASP 11 -16.293 -5.980 -9.886 68 2HB ASP 11 HB1 ASP 11 -14.935 -7.088 -10.051 69 H ILE 12 HN ILE 12 -13.192 -6.215 -9.603 70 HA ILE 12 HA ILE 12 -12.292 -3.598 -8.639 71 HB ILE 12 HB ILE 12 -10.557 -4.847 -10.614 72 H THR 13 HN THR 13 -12.150 -1.839 -9.922 73 HA THR 13 HA THR 13 -12.689 -2.090 -12.774 74 HB THR 13 HB THR 13 -14.609 -0.884 -12.807 75 HG1 THR 13 HG1 THR 13 -15.044 0.825 -11.385 76 HA PRO 14 HA PRO 14 -9.959 1.247 -13.728 77 1HB PRO 14 HB2 PRO 14 -12.239 3.178 -13.860 78 2HB PRO 14 HB1 PRO 14 -10.898 2.947 -14.990 79 1HG PRO 14 HG2 PRO 14 -13.301 1.964 -15.547 80 2HG PRO 14 HG1 PRO 14 -11.838 1.035 -15.918 81 1HD PRO 14 HD2 PRO 14 -13.836 0.637 -13.751 82 2HD PRO 14 HD1 PRO 14 -12.852 -0.562 -14.615 83 H ALA 15 HN ALA 15 -12.574 2.510 -11.642 84 HA ALA 15 HA ALA 15 -11.158 4.539 -10.400 85 1HB ALA 15 HB1 ALA 15 -12.794 3.718 -8.391 86 2HB ALA 15 HB2 ALA 15 -13.580 2.995 -9.795 87 3HB ALA 15 HB3 ALA 15 -13.297 4.735 -9.742 88 H ILE 16 HN ILE 16 -11.979 1.667 -8.475 89 HA ILE 16 HA ILE 16 -9.960 1.927 -6.626 90 HB ILE 16 HB ILE 16 -10.104 -0.683 -6.509 91 H ARG 17 HN ARG 17 -9.875 -0.247 -9.476 92 HA ARG 17 HA ARG 17 -7.374 -1.268 -9.353 93 1HB ARG 17 HB2 ARG 17 -9.051 -1.540 -11.228 94 2HB ARG 17 HB1 ARG 17 -8.454 -0.025 -11.888 95 1HG ARG 17 HG2 ARG 17 -6.690 -1.012 -12.808 96 2HG ARG 17 HG1 ARG 17 -6.300 -1.875 -11.319 97 1HD ARG 17 HD2 ARG 17 -8.330 -3.369 -11.981 98 2HD ARG 17 HD1 ARG 17 -8.056 -2.706 -13.592 99 HE ARG 17 HE ARG 17 -5.688 -3.770 -12.357 100 1HH1 ARG 17 HH11 ARG 17 -8.500 -4.526 -14.281 101 2HH1 ARG 17 HH12 ARG 17 -7.785 -5.930 -14.999 102 1HH2 ARG 17 HH21 ARG 17 -4.746 -5.615 -13.302 103 2HH2 ARG 17 HH22 ARG 17 -5.653 -6.548 -14.444 104 H GLU 18 HN GLU 18 -8.098 1.841 -10.933 105 HA GLU 18 HA GLU 18 -5.436 2.658 -11.271 106 1HB GLU 18 HB2 GLU 18 -7.292 3.697 -12.478 107 2HB GLU 18 HB1 GLU 18 -7.953 4.321 -10.972 108 1HG GLU 18 HG2 GLU 18 -6.890 6.180 -11.724 109 2HG GLU 18 HG1 GLU 18 -5.576 5.451 -10.802 110 H HIS 19 HN HIS 19 -7.736 3.167 -8.632 111 HA HIS 19 HA HIS 19 -6.177 4.935 -7.094 112 1HB HIS 19 HB2 HIS 19 -8.677 4.213 -6.887 113 2HB HIS 19 HB1 HIS 19 -8.046 2.908 -5.892 114 HD1 HIS 19 HD1 HIS 19 -6.727 6.448 -5.764 115 HD2 HIS 19 HD2 HIS 19 -9.036 3.798 -3.577 116 HE1 HIS 19 HE1 HIS 19 -7.098 7.571 -3.540 117 HE2 HIS 19 HE2 HIS 19 -8.588 5.989 -2.263 118 H LEU 20 HN LEU 20 -6.860 1.532 -6.379 119 HA LEU 20 HA LEU 20 -4.965 0.974 -4.510 120 1HB LEU 20 HB2 LEU 20 -5.548 -0.963 -6.732 121 2HB LEU 20 HB1 LEU 20 -5.240 -1.301 -5.039 122 HG LEU 20 HG LEU 20 -7.717 0.058 -6.099 123 H GLU 21 HN GLU 21 -4.512 0.620 -8.037 124 HA GLU 21 HA GLU 21 -1.793 -0.060 -7.964 125 1HB GLU 21 HB2 GLU 21 -3.307 1.440 -10.114 126 2HB GLU 21 HB1 GLU 21 -1.737 0.676 -10.320 127 1HG GLU 21 HG2 GLU 21 -2.614 -1.448 -10.272 128 2HG GLU 21 HG1 GLU 21 -4.052 -0.953 -9.388 129 H GLU 22 HN GLU 22 -3.339 3.105 -8.501 130 HA GLU 22 HA GLU 22 -1.055 4.671 -8.652 131 1HB GLU 22 HB2 GLU 22 -3.297 5.548 -9.118 132 2HB GLU 22 HB1 GLU 22 -3.723 5.395 -7.417 133 1HG GLU 22 HG2 GLU 22 -2.541 7.234 -6.809 134 2HG GLU 22 HG1 GLU 22 -1.342 7.024 -8.085 135 H ARG 23 HN ARG 23 -2.798 3.481 -5.823 136 HA ARG 23 HA ARG 23 -1.405 4.914 -3.858 137 1HB ARG 23 HB2 ARG 23 -2.881 2.301 -3.842 138 2HB ARG 23 HB1 ARG 23 -2.007 2.839 -2.416 139 1HG ARG 23 HG2 ARG 23 -4.307 4.212 -3.780 140 2HG ARG 23 HG1 ARG 23 -4.274 3.490 -2.175 141 1HD ARG 23 HD2 ARG 23 -2.448 5.178 -1.628 142 2HD ARG 23 HD1 ARG 23 -2.910 5.991 -3.122 143 HE ARG 23 HE ARG 23 -5.232 5.618 -1.654 144 1HH1 ARG 23 HH11 ARG 23 -2.216 7.340 -1.317 145 2HH1 ARG 23 HH12 ARG 23 -2.899 8.597 -0.343 146 1HH2 ARG 23 HH21 ARG 23 -6.134 7.272 -0.373 147 2HH2 ARG 23 HH22 ARG 23 -5.123 8.560 0.193 148 H LEU 24 HN LEU 24 -0.797 1.715 -5.301 149 HA LEU 24 HA LEU 24 1.532 1.145 -3.815 150 1HB LEU 24 HB2 LEU 24 0.300 -0.524 -5.175 151 2HB LEU 24 HB1 LEU 24 0.874 0.263 -6.629 152 HG LEU 24 HG LEU 24 3.240 -0.212 -5.601 153 H ALA 25 HN ALA 25 1.090 2.586 -7.034 154 HA ALA 25 HA ALA 25 3.773 3.072 -7.628 155 1HB ALA 25 HB1 ALA 25 2.768 5.026 -9.001 156 2HB ALA 25 HB2 ALA 25 1.213 4.375 -8.481 157 3HB ALA 25 HB3 ALA 25 2.321 3.372 -9.418 158 H LYS 26 HN LYS 26 1.499 4.791 -5.610 159 HA LYS 26 HA LYS 26 3.101 7.133 -5.268 160 1HB LYS 26 HB2 LYS 26 0.595 6.976 -4.909 161 2HB LYS 26 HB1 LYS 26 0.943 6.119 -3.414 162 1HG LYS 26 HG2 LYS 26 1.008 8.093 -2.410 163 2HG LYS 26 HG1 LYS 26 2.511 8.405 -3.278 164 1HD LYS 26 HD2 LYS 26 1.414 10.186 -4.100 165 2HD LYS 26 HD1 LYS 26 0.654 9.012 -5.176 166 1HE LYS 26 HE2 LYS 26 -0.967 8.768 -3.064 167 2HE LYS 26 HE1 LYS 26 -0.447 10.436 -2.824 168 1HZ LYS 26 HZ1 LYS 26 -1.995 9.275 -5.036 169 2HZ LYS 26 HZ2 LYS 26 -1.043 10.643 -5.327 170 3HZ LYS 26 HZ3 LYS 26 -2.270 10.699 -4.164 171 H LEU 27 HN LEU 27 2.610 4.122 -3.492 172 HA LEU 27 HA LEU 27 4.343 4.863 -1.335 173 1HB LEU 27 HB2 LEU 27 2.750 2.506 -2.091 174 2HB LEU 27 HB1 LEU 27 4.225 2.132 -1.218 175 HG LEU 27 HG LEU 27 1.964 3.893 -0.271 176 H GLY 28 HN GLY 28 4.905 3.970 -4.517 177 1HA GLY 28 HA2 GLY 28 7.179 2.318 -4.299 178 2HA GLY 28 HA1 GLY 28 6.782 3.337 -5.673 179 H LYS 29 HN LYS 29 6.796 5.798 -4.080 180 HA LYS 29 HA LYS 29 9.580 6.378 -4.322 181 1HB LYS 29 HB2 LYS 29 9.024 8.624 -3.749 182 2HB LYS 29 HB1 LYS 29 7.760 8.019 -4.805 183 1HG LYS 29 HG2 LYS 29 6.182 8.357 -3.268 184 2HG LYS 29 HG1 LYS 29 7.149 7.622 -1.991 185 1HD LYS 29 HD2 LYS 29 8.418 10.040 -2.543 186 2HD LYS 29 HD1 LYS 29 6.694 10.413 -2.588 187 1HE LYS 29 HE2 LYS 29 6.607 10.373 -0.373 188 2HE LYS 29 HE1 LYS 29 7.199 8.713 -0.357 189 1HZ LYS 29 HZ1 LYS 29 8.799 9.796 0.848 190 2HZ LYS 29 HZ2 LYS 29 8.698 11.222 -0.056 191 3HZ LYS 29 HZ3 LYS 29 9.483 9.868 -0.699 192 H TRP 30 HN TRP 30 7.800 4.983 -1.849 193 HA TRP 30 HA TRP 30 9.277 6.070 0.356 194 1HB TRP 30 HB2 TRP 30 7.181 3.949 0.041 195 2HB TRP 30 HB1 TRP 30 8.081 4.105 1.540 196 HD1 TRP 30 HD1 TRP 30 5.662 6.149 -0.671 197 HE1 TRP 30 HE1 TRP 30 4.470 7.863 0.837 198 HE3 TRP 30 HE3 TRP 30 8.202 5.302 3.665 199 HZ2 TRP 30 HZ2 TRP 30 4.601 8.738 3.530 200 HZ3 TRP 30 HZ3 TRP 30 7.623 6.619 5.651 201 HH2 TRP 30 HH2 TRP 30 5.858 8.301 5.590 202 H GLN 31 HN GLN 31 11.386 5.534 0.466 203 HA GLN 31 HA GLN 31 12.755 3.522 -0.710 204 1HB GLN 31 HB2 GLN 31 14.515 3.864 0.855 205 2HB GLN 31 HB1 GLN 31 13.715 5.410 0.629 206 1HG GLN 31 HG2 GLN 31 13.481 5.582 2.818 207 2HG GLN 31 HG1 GLN 31 12.446 4.158 2.808 208 H THR 32 HN THR 32 11.180 1.801 -0.703 209 HA THR 32 HA THR 32 11.753 -0.149 1.348 210 HB THR 32 HB THR 32 8.921 0.716 0.701 211 HG1 THR 32 HG1 THR 32 10.597 1.214 2.914 212 H GLN 33 HN GLN 33 10.443 -2.248 0.688 213 HA GLN 33 HA GLN 33 10.505 -2.526 -2.238 214 1HB GLN 33 HB2 GLN 33 12.006 -3.928 -0.215 215 2HB GLN 33 HB1 GLN 33 10.975 -5.045 -1.088 216 1HG GLN 33 HG2 GLN 33 12.677 -5.168 -2.509 217 2HG GLN 33 HG1 GLN 33 12.071 -3.633 -3.108 218 H LEU 34 HN LEU 34 8.376 -2.590 -2.689 219 HA LEU 34 HA LEU 34 6.502 -3.721 -0.900 220 1HB LEU 34 HB2 LEU 34 5.935 -3.219 -3.799 221 2HB LEU 34 HB1 LEU 34 4.860 -3.062 -2.422 222 HG LEU 34 HG LEU 34 7.058 -1.198 -3.274 223 H ILE 35 HN ILE 35 7.918 -5.741 -0.872 224 HA ILE 35 HA ILE 35 8.010 -7.606 -2.906 225 HB ILE 35 HB ILE 35 7.747 -8.128 0.058 226 H SER 36 HN SER 36 6.241 -8.050 -4.081 227 HA SER 36 HA SER 36 4.107 -8.661 -4.641 228 1HB SER 36 HB2 SER 36 4.841 -10.846 -4.124 229 2HB SER 36 HB1 SER 36 4.865 -10.523 -2.390 230 HG SER 36 HG SER 36 2.889 -11.206 -2.327 231 HA PRO 37 HA PRO 37 1.763 -6.301 -1.563 232 1HB PRO 37 HB2 PRO 37 1.065 -4.319 -3.323 233 2HB PRO 37 HB1 PRO 37 2.555 -4.323 -2.378 234 1HG PRO 37 HG2 PRO 37 2.247 -4.623 -5.230 235 2HG PRO 37 HG1 PRO 37 3.737 -4.511 -4.295 236 1HD PRO 37 HD2 PRO 37 2.341 -6.869 -5.362 237 2HD PRO 37 HD1 PRO 37 4.036 -6.682 -4.872 238 H HIS 38 HN HIS 38 -0.368 -6.500 -1.157 239 HA HIS 38 HA HIS 38 -2.172 -7.106 -3.402 240 1HB HIS 38 HB2 HIS 38 -1.626 -8.691 -1.040 241 2HB HIS 38 HB1 HIS 38 -3.324 -8.295 -1.165 242 HD1 HIS 38 HD1 HIS 38 -1.032 -10.803 -2.142 243 HD2 HIS 38 HD2 HIS 38 -4.278 -8.963 -3.965 244 HE1 HIS 38 HE1 HIS 38 -1.781 -12.390 -3.943 245 HE2 HIS 38 HE2 HIS 38 -3.669 -11.199 -5.111 246 H PHE 39 HN PHE 39 -4.499 -6.857 -2.690 247 HA PHE 39 HA PHE 39 -4.939 -4.889 -0.635 248 1HB PHE 39 HB2 PHE 39 -4.749 -4.126 -3.425 249 2HB PHE 39 HB1 PHE 39 -6.325 -3.750 -2.744 250 HD1 PHE 39 HD1 PHE 39 -2.700 -3.272 -2.165 251 HD2 PHE 39 HD2 PHE 39 -6.653 -1.906 -1.386 252 HE1 PHE 39 HE1 PHE 39 -1.787 -1.269 -1.065 253 HE2 PHE 39 HE2 PHE 39 -5.749 0.101 -0.289 254 HZ PHE 39 HZ PHE 39 -3.314 0.419 -0.125 255 H VAL 40 HN VAL 40 -6.337 -6.182 0.430 256 HA VAL 40 HA VAL 40 -8.517 -7.453 -0.993 257 HB VAL 40 HB VAL 40 -7.818 -7.463 1.949 258 H LEU 41 HN LEU 41 -9.716 -5.695 -1.665 259 HA LEU 41 HA LEU 41 -10.723 -3.804 0.304 260 1HB LEU 41 HB2 LEU 41 -11.549 -2.534 -1.534 261 2HB LEU 41 HB1 LEU 41 -9.907 -3.016 -1.897 262 HG LEU 41 HG LEU 41 -12.317 -4.442 -2.982 263 H ASN 42 HN ASN 42 -12.851 -3.529 0.859 264 HA ASN 42 HA ASN 42 -14.875 -5.170 -0.384 265 1HB ASN 42 HB2 ASN 42 -14.271 -5.482 2.556 266 2HB ASN 42 HB1 ASN 42 -15.622 -6.217 1.704 267 H LYS 43 HN LYS 43 -17.043 -4.745 0.515 268 HA LYS 43 HA LYS 43 -17.291 -2.015 1.622 269 1HB LYS 43 HB2 LYS 43 -18.107 -1.481 -0.418 270 2HB LYS 43 HB1 LYS 43 -18.321 -3.159 -0.884 271 1HG LYS 43 HG2 LYS 43 -20.435 -3.268 0.248 272 2HG LYS 43 HG1 LYS 43 -20.209 -1.656 0.923 273 1HD LYS 43 HD2 LYS 43 -19.938 -1.078 -1.684 274 2HD LYS 43 HD1 LYS 43 -21.003 -2.481 -1.808 275 1HE LYS 43 HE2 LYS 43 -22.629 -0.947 -1.529 276 2HE LYS 43 HE1 LYS 43 -22.222 -1.120 0.177 277 1HZ LYS 43 HZ1 LYS 43 -20.890 0.815 0.100 278 2HZ LYS 43 HZ2 LYS 43 -22.345 1.215 -0.662 279 3HZ LYS 43 HZ3 LYS 43 -20.966 0.903 -1.589 280 H VAL 44 HN VAL 44 -19.352 -1.621 2.697 281 HA VAL 44 HA VAL 44 -21.123 -3.772 3.230 282 HB VAL 44 HB VAL 44 -20.542 -4.546 5.207 283 HA PRO 45 HA PRO 45 -24.165 -0.672 3.675 284 1HB PRO 45 HB2 PRO 45 -24.839 -2.045 6.247 285 2HB PRO 45 HB1 PRO 45 -25.909 -1.513 4.945 286 1HG PRO 45 HG2 PRO 45 -25.226 -4.077 5.180 287 2HG PRO 45 HG1 PRO 45 -25.372 -3.313 3.587 288 1HD PRO 45 HD2 PRO 45 -22.938 -4.122 5.082 289 2HD PRO 45 HD1 PRO 45 -23.203 -4.007 3.331 290 H ASN 46 HN ASN 46 -22.692 -1.504 6.804 291 HA ASN 46 HA ASN 46 -22.984 1.187 7.777 292 1HB ASN 46 HB2 ASN 46 -22.814 -1.255 8.995 293 2HB ASN 46 HB1 ASN 46 -21.200 -0.607 9.271 294 H GLY 47 HN GLY 47 -21.115 0.505 5.402 295 1HA GLY 47 HA2 GLY 47 -19.386 2.350 5.167 296 2HA GLY 47 HA1 GLY 47 -18.647 1.596 6.569 297 H PHE 48 HN PHE 48 -17.233 1.956 4.300 298 HA PHE 48 HA PHE 48 -17.161 -0.553 2.821 299 1HB PHE 48 HB2 PHE 48 -15.820 2.104 2.526 300 2HB PHE 48 HB1 PHE 48 -15.146 0.717 1.728 301 HD1 PHE 48 HD1 PHE 48 -18.015 2.988 1.885 302 HD2 PHE 48 HD2 PHE 48 -16.147 -0.211 -0.194 303 HE1 PHE 48 HE1 PHE 48 -19.503 3.374 -0.041 304 HE2 PHE 48 HE2 PHE 48 -17.629 0.158 -2.119 305 HZ PHE 48 HZ PHE 48 -19.299 1.950 -2.048 306 H SER 49 HN SER 49 -15.870 -2.186 3.494 307 HA SER 49 HA SER 49 -13.715 -1.519 5.358 308 1HB SER 49 HB2 SER 49 -13.876 -4.315 5.105 309 2HB SER 49 HB1 SER 49 -14.355 -3.322 6.471 310 HG SER 49 HG SER 49 -15.929 -4.780 5.034 311 H VAL 50 HN VAL 50 -11.798 -1.379 4.638 312 HA VAL 50 HA VAL 50 -11.022 -2.865 2.210 313 HB VAL 50 HB VAL 50 -9.560 -0.375 2.964 314 H GLU 51 HN GLU 51 -8.861 -3.643 2.121 315 HA GLU 51 HA GLU 51 -7.204 -3.440 4.487 316 1HB GLU 51 HB2 GLU 51 -8.426 -5.281 5.244 317 2HB GLU 51 HB1 GLU 51 -8.580 -5.962 3.640 318 1HG GLU 51 HG2 GLU 51 -6.660 -7.100 3.798 319 2HG GLU 51 HG1 GLU 51 -5.824 -5.772 4.598 320 H ALA 52 HN ALA 52 -5.079 -3.648 4.042 321 HA ALA 52 HA ALA 52 -4.351 -4.471 1.307 322 1HB ALA 52 HB1 ALA 52 -2.924 -2.682 1.041 323 2HB ALA 52 HB2 ALA 52 -2.750 -2.424 2.777 324 3HB ALA 52 HB3 ALA 52 -4.237 -1.947 1.959 325 H SER 53 HN SER 53 -2.205 -5.339 1.052 326 HA SER 53 HA SER 53 -0.759 -6.101 3.445 327 1HB SER 53 HB2 SER 53 -0.759 -8.547 2.584 328 2HB SER 53 HB1 SER 53 -2.171 -7.971 3.470 329 HG SER 53 HG SER 53 -2.159 -9.035 1.099 330 H ILE 54 HN ILE 54 1.185 -5.372 2.898 331 HA ILE 54 HA ILE 54 2.321 -6.262 0.332 332 HB ILE 54 HB ILE 54 2.904 -3.588 1.605 333 H GLY 55 HN GLY 55 4.449 -6.941 0.381 334 1HA GLY 55 HA2 GLY 55 5.561 -7.376 3.031 335 2HA GLY 55 HA1 GLY 55 6.053 -8.191 1.574 336 H THR 56 HN THR 56 7.543 -6.777 3.631 337 HA THR 56 HA THR 56 9.090 -5.092 1.828 338 HB THR 56 HB THR 56 8.952 -3.194 2.994 339 HG1 THR 56 HG1 THR 56 8.773 -4.448 5.504 340 HA PRO 57 HA PRO 57 12.490 -7.486 3.418 341 1HB PRO 57 HB2 PRO 57 14.106 -5.028 3.071 342 2HB PRO 57 HB1 PRO 57 14.355 -6.640 2.395 343 1HG PRO 57 HG2 PRO 57 13.495 -4.595 0.890 344 2HG PRO 57 HG1 PRO 57 12.951 -6.259 0.613 345 1HD PRO 57 HD2 PRO 57 11.507 -3.971 1.877 346 2HD PRO 57 HD1 PRO 57 10.886 -5.301 0.882 347 H LEU 58 HN LEU 58 11.424 -4.441 4.626 348 HA LEU 58 HA LEU 58 13.048 -4.633 7.034 349 1HB LEU 58 HB2 LEU 58 11.145 -2.497 6.063 350 2HB LEU 58 HB1 LEU 58 12.070 -2.406 7.549 351 HG LEU 58 HG LEU 58 13.933 -2.934 5.491 352 H GLY 59 HN GLY 59 10.261 -5.938 5.966 353 1HA GLY 59 HA2 GLY 59 9.247 -7.329 7.825 354 2HA GLY 59 HA1 GLY 59 8.891 -5.787 8.568 355 H ASN 60 HN ASN 60 7.359 -8.166 7.221 356 HA ASN 60 HA ASN 60 5.960 -7.379 5.004 357 1HB ASN 60 HB2 ASN 60 4.848 -8.819 7.423 358 2HB ASN 60 HB1 ASN 60 4.118 -8.790 5.824 359 H LEU 61 HN LEU 61 3.553 -6.724 4.989 360 HA LEU 61 HA LEU 61 2.890 -4.792 7.061 361 1HB LEU 61 HB2 LEU 61 3.943 -4.065 4.479 362 2HB LEU 61 HB1 LEU 61 2.331 -3.417 4.692 363 HG LEU 61 HG LEU 61 3.291 -2.611 7.002 364 H LEU 62 HN LEU 62 0.786 -4.403 7.314 365 HA LEU 62 HA LEU 62 -1.157 -5.356 5.373 366 1HB LEU 62 HB2 LEU 62 -1.356 -6.163 8.271 367 2HB LEU 62 HB1 LEU 62 -2.409 -6.646 6.962 368 HG LEU 62 HG LEU 62 -1.053 -8.516 7.534 369 H ALA 63 HN ALA 63 -3.285 -4.497 5.792 370 HA ALA 63 HA ALA 63 -3.633 -2.537 7.871 371 1HB ALA 63 HB1 ALA 63 -4.270 -0.814 5.973 372 2HB ALA 63 HB2 ALA 63 -3.062 -1.728 5.070 373 3HB ALA 63 HB3 ALA 63 -2.622 -0.945 6.588 374 H SER 64 HN SER 64 -5.816 -1.633 7.889 375 HA SER 64 HA SER 64 -7.812 -2.556 6.103 376 1HB SER 64 HB2 SER 64 -8.705 -3.783 8.509 377 2HB SER 64 HB1 SER 64 -8.353 -4.548 6.961 378 HG SER 64 HG SER 64 -6.394 -5.100 7.655 379 H ALA 65 HN ALA 65 -9.798 -1.544 6.447 380 HA ALA 65 HA ALA 65 -10.416 -0.218 8.907 381 1HB ALA 65 HB1 ALA 65 -9.666 1.523 6.562 382 2HB ALA 65 HB2 ALA 65 -8.718 1.319 8.036 383 3HB ALA 65 HB3 ALA 65 -10.310 2.074 8.108 384 H THR 66 HN THR 66 -12.515 0.564 8.996 385 HA THR 66 HA THR 66 -14.196 0.008 6.632 386 HB THR 66 HB THR 66 -14.954 -0.250 9.550 387 HG1 THR 66 HG1 THR 66 -14.180 -2.170 9.389 388 H SER 67 HN SER 67 -14.625 1.973 5.775 389 HA SER 67 HA SER 67 -15.811 3.968 7.563 390 1HB SER 67 HB2 SER 67 -14.502 5.433 5.569 391 2HB SER 67 HB1 SER 67 -14.047 5.296 7.262 392 HG SER 67 HG SER 67 -12.667 3.639 6.757 393 H ASP 68 HN ASP 68 -17.383 5.295 6.652 394 HA ASP 68 HA ASP 68 -18.901 4.144 4.555 395 1HB ASP 68 HB2 ASP 68 -20.229 6.297 4.753 396 2HB ASP 68 HB1 ASP 68 -20.091 5.348 6.228 397 H ASP 69 HN ASP 69 -16.187 6.156 4.563 398 HA ASP 69 HA ASP 69 -16.803 7.223 1.902 399 1HB ASP 69 HB2 ASP 69 -15.104 8.114 4.164 400 2HB ASP 69 HB1 ASP 69 -14.495 8.445 2.543 401 H MET 70 HN MET 70 -16.310 5.654 0.504 402 HA MET 70 HA MET 70 -14.591 3.626 0.478 403 1HB MET 70 HB2 MET 70 -15.889 5.259 -1.497 404 2HB MET 70 HB1 MET 70 -14.325 4.728 -2.093 405 1HG MET 70 HG2 MET 70 -15.539 2.492 -0.893 406 2HG MET 70 HG1 MET 70 -16.773 3.276 -1.877 407 1HE MET 70 HE1 MET 70 -12.642 2.234 -2.879 408 2HE MET 70 HE2 MET 70 -13.445 0.663 -2.823 409 3HE MET 70 HE3 MET 70 -13.548 1.752 -1.437 410 H TYR 71 HN TYR 71 -13.570 6.615 -1.174 411 HA TYR 71 HA TYR 71 -10.879 5.828 -1.255 412 1HB TYR 71 HB2 TYR 71 -12.380 8.267 -1.958 413 2HB TYR 71 HB1 TYR 71 -10.656 8.478 -1.644 414 HD1 TYR 71 HD1 TYR 71 -10.330 9.084 -4.046 415 HD2 TYR 71 HD2 TYR 71 -11.802 5.268 -2.877 416 HE1 TYR 71 HE1 TYR 71 -9.807 8.195 -6.280 417 HE2 TYR 71 HE2 TYR 71 -11.273 4.363 -5.082 418 HH TYR 71 HH TYR 71 -11.018 5.733 -7.611 419 H LYS 72 HN LYS 72 -12.671 7.482 1.220 420 HA LYS 72 HA LYS 72 -10.362 8.495 2.576 421 1HB LYS 72 HB2 LYS 72 -12.675 9.361 2.901 422 2HB LYS 72 HB1 LYS 72 -13.018 7.869 3.745 423 1HG LYS 72 HG2 LYS 72 -12.304 8.779 5.627 424 2HG LYS 72 HG1 LYS 72 -10.697 8.919 4.914 425 1HD LYS 72 HD2 LYS 72 -11.337 11.095 3.955 426 2HD LYS 72 HD1 LYS 72 -12.919 10.954 4.725 427 1HE LYS 72 HE2 LYS 72 -11.536 10.650 6.904 428 2HE LYS 72 HE1 LYS 72 -10.234 11.387 5.971 429 1HZ LYS 72 HZ1 LYS 72 -11.315 13.135 7.080 430 2HZ LYS 72 HZ2 LYS 72 -12.857 12.565 6.679 431 3HZ LYS 72 HZ3 LYS 72 -11.862 13.227 5.481 432 H ALA 73 HN ALA 73 -12.318 5.577 2.649 433 HA ALA 73 HA ALA 73 -11.154 4.355 4.917 434 1HB ALA 73 HB1 ALA 73 -12.167 2.818 2.537 435 2HB ALA 73 HB2 ALA 73 -13.278 3.661 3.617 436 3HB ALA 73 HB3 ALA 73 -12.238 2.382 4.245 437 H ILE 74 HN ILE 74 -10.536 4.230 1.458 438 HA ILE 74 HA ILE 74 -8.221 2.592 1.555 439 HB ILE 74 HB ILE 74 -9.399 4.508 -0.439 440 H ASN 75 HN ASN 75 -8.946 5.976 1.844 441 HA ASN 75 HA ASN 75 -6.403 7.118 1.847 442 1HB ASN 75 HB2 ASN 75 -8.913 8.032 1.931 443 2HB ASN 75 HB1 ASN 75 -8.559 8.185 3.642 444 H GLU 76 HN GLU 76 -8.371 5.640 4.351 445 HA GLU 76 HA GLU 76 -6.598 6.167 6.520 446 1HB GLU 76 HB2 GLU 76 -9.185 5.065 6.167 447 2HB GLU 76 HB1 GLU 76 -8.219 3.837 6.978 448 1HG GLU 76 HG2 GLU 76 -8.827 4.911 8.839 449 2HG GLU 76 HG1 GLU 76 -7.542 6.036 8.401 450 H VAL 77 HN VAL 77 -7.350 3.183 4.692 451 HA VAL 77 HA VAL 77 -5.535 1.451 5.804 452 HB VAL 77 HB VAL 77 -5.995 1.565 2.830 453 H GLU 78 HN GLU 78 -4.996 3.578 3.005 454 HA GLU 78 HA GLU 78 -2.315 2.960 2.621 455 1HB GLU 78 HB2 GLU 78 -3.801 4.297 1.073 456 2HB GLU 78 HB1 GLU 78 -3.554 5.674 2.138 457 1HG GLU 78 HG2 GLU 78 -2.041 5.928 0.353 458 2HG GLU 78 HG1 GLU 78 -1.088 5.402 1.740 459 H GLU 79 HN GLU 79 -3.880 5.129 4.863 460 HA GLU 79 HA GLU 79 -1.538 6.488 5.719 461 1HB GLU 79 HB2 GLU 79 -4.350 6.391 6.469 462 2HB GLU 79 HB1 GLU 79 -3.304 6.497 7.878 463 1HG GLU 79 HG2 GLU 79 -2.589 8.334 5.720 464 2HG GLU 79 HG1 GLU 79 -4.191 8.607 6.406 465 H LYS 80 HN LYS 80 -3.252 3.590 6.801 466 HA LYS 80 HA LYS 80 -1.597 3.122 9.070 467 1HB LYS 80 HB2 LYS 80 -3.897 1.954 7.957 468 2HB LYS 80 HB1 LYS 80 -2.682 0.686 7.941 469 1HG LYS 80 HG2 LYS 80 -2.536 0.603 10.223 470 2HG LYS 80 HG1 LYS 80 -3.052 2.278 10.427 471 1HD LYS 80 HD2 LYS 80 -5.332 1.607 9.705 472 2HD LYS 80 HD1 LYS 80 -4.785 -0.070 9.662 473 1HE LYS 80 HE2 LYS 80 -3.997 0.641 12.145 474 2HE LYS 80 HE1 LYS 80 -5.421 1.663 11.959 475 1HZ LYS 80 HZ1 LYS 80 -6.688 -0.342 11.366 476 2HZ LYS 80 HZ2 LYS 80 -6.046 -0.425 12.928 477 3HZ LYS 80 HZ3 LYS 80 -5.320 -1.290 11.670 478 H LEU 81 HN LEU 81 -1.654 1.832 5.768 479 HA LEU 81 HA LEU 81 0.573 0.144 6.009 480 1HB LEU 81 HB2 LEU 81 -1.215 0.937 3.965 481 2HB LEU 81 HB1 LEU 81 0.397 1.248 3.355 482 HG LEU 81 HG LEU 81 -0.724 -1.038 2.884 483 H GLU 82 HN GLU 82 0.313 3.551 4.998 484 HA GLU 82 HA GLU 82 3.070 3.891 4.444 485 1HB GLU 82 HB2 GLU 82 1.057 5.409 3.847 486 2HB GLU 82 HB1 GLU 82 1.303 6.104 5.441 487 1HG GLU 82 HG2 GLU 82 2.982 7.347 4.717 488 2HG GLU 82 HG1 GLU 82 3.793 5.946 4.020 489 H ARG 83 HN ARG 83 1.091 4.550 7.310 490 HA ARG 83 HA ARG 83 3.053 5.613 8.969 491 1HB ARG 83 HB2 ARG 83 0.567 5.411 9.445 492 2HB ARG 83 HB1 ARG 83 0.871 3.739 9.895 493 1HG ARG 83 HG2 ARG 83 0.776 5.133 11.863 494 2HG ARG 83 HG1 ARG 83 2.409 4.502 11.647 495 1HD ARG 83 HD2 ARG 83 3.282 6.547 11.373 496 2HD ARG 83 HD1 ARG 83 1.961 7.069 10.327 497 HE ARG 83 HE ARG 83 0.975 6.954 12.926 498 1HH1 ARG 83 HH11 ARG 83 3.354 8.758 11.119 499 2HH1 ARG 83 HH12 ARG 83 3.200 10.181 12.095 500 1HH2 ARG 83 HH21 ARG 83 0.770 8.824 14.210 501 2HH2 ARG 83 HH22 ARG 83 1.732 10.218 13.850 502 H GLN 84 HN GLN 84 2.081 2.219 8.529 503 HA GLN 84 HA GLN 84 3.976 1.096 10.269 504 1HB GLN 84 HB2 GLN 84 2.412 0.062 7.932 505 2HB GLN 84 HB1 GLN 84 3.680 -0.935 8.635 506 1HG GLN 84 HG2 GLN 84 2.577 -0.863 10.789 507 2HG GLN 84 HG1 GLN 84 1.339 0.209 10.138 508 H LEU 85 HN LEU 85 4.095 1.939 6.835 509 HA LEU 85 HA LEU 85 6.596 0.883 6.175 510 1HB LEU 85 HB2 LEU 85 4.809 2.960 5.126 511 2HB LEU 85 HB1 LEU 85 6.501 3.288 4.810 512 HG LEU 85 HG LEU 85 5.790 0.541 4.160 513 H ASN 86 HN ASN 86 5.701 4.061 7.465 514 HA ASN 86 HA ASN 86 8.298 5.090 7.759 515 1HB ASN 86 HB2 ASN 86 6.036 6.324 7.945 516 2HB ASN 86 HB1 ASN 86 6.012 5.755 9.613 517 H LYS 87 HN LYS 87 6.352 2.944 9.713 518 HA LYS 87 HA LYS 87 7.880 3.027 12.085 519 1HB LYS 87 HB2 LYS 87 5.677 1.543 11.102 520 2HB LYS 87 HB1 LYS 87 6.904 0.367 11.559 521 1HG LYS 87 HG2 LYS 87 6.324 2.549 13.480 522 2HG LYS 87 HG1 LYS 87 5.102 1.294 13.272 523 1HD LYS 87 HD2 LYS 87 6.434 -0.342 14.152 524 2HD LYS 87 HD1 LYS 87 7.926 0.440 13.625 525 1HE LYS 87 HE2 LYS 87 7.977 1.866 15.442 526 2HE LYS 87 HE1 LYS 87 6.242 1.732 15.725 527 1HZ LYS 87 HZ1 LYS 87 7.872 -0.676 16.045 528 2HZ LYS 87 HZ2 LYS 87 6.483 -0.195 16.882 529 3HZ LYS 87 HZ3 LYS 87 7.976 0.511 17.247 530 H LEU 88 HN LEU 88 7.999 0.895 9.241 531 HA LEU 88 HA LEU 88 10.193 -0.640 10.042 532 1HB LEU 88 HB2 LEU 88 9.657 0.152 7.186 533 2HB LEU 88 HB1 LEU 88 10.418 -1.313 7.768 534 HG LEU 88 HG LEU 88 7.497 -0.589 7.903 535 H GLN 89 HN GLN 89 10.065 2.168 7.885 536 HA GLN 89 HA GLN 89 12.822 2.520 7.564 537 1HB GLN 89 HB2 GLN 89 10.747 4.722 7.620 538 2HB GLN 89 HB1 GLN 89 12.321 4.782 6.842 539 1HG GLN 89 HG2 GLN 89 11.419 2.754 5.483 540 2HG GLN 89 HG1 GLN 89 9.846 3.364 5.990 541 H HIS 90 HN HIS 90 10.696 3.313 10.179 542 HA HIS 90 HA HIS 90 12.457 5.145 11.507 543 1HB HIS 90 HB2 HIS 90 9.880 3.775 12.171 544 2HB HIS 90 HB1 HIS 90 10.818 4.490 13.473 545 HD1 HIS 90 HD1 HIS 90 11.769 7.002 11.755 546 HD2 HIS 90 HD2 HIS 90 7.863 5.670 12.235 547 HE1 HIS 90 HE1 HIS 90 10.317 9.007 11.317 548 HE2 HIS 90 HE2 HIS 90 7.961 8.197 11.696 549 H LYS 91 HN LYS 91 11.191 2.021 12.608 550 HA LYS 91 HA LYS 91 12.018 0.488 14.044 551 1HB LYS 91 HB2 LYS 91 14.051 -0.583 13.328 552 2HB LYS 91 HB1 LYS 91 13.152 -0.079 11.904 553 1HG LYS 91 HG2 LYS 91 14.683 1.530 11.336 554 2HG LYS 91 HG1 LYS 91 15.250 1.732 12.994 555 1HD LYS 91 HD2 LYS 91 17.009 0.506 12.329 556 2HD LYS 91 HD1 LYS 91 15.912 -0.867 12.492 557 1HE LYS 91 HE2 LYS 91 15.264 -0.125 10.018 558 2HE LYS 91 HE1 LYS 91 16.913 0.496 10.055 559 1HZ LYS 91 HZ1 LYS 91 17.591 -1.775 10.820 560 2HZ LYS 91 HZ2 LYS 91 17.021 -1.697 9.229 561 3HZ LYS 91 HZ3 LYS 91 16.025 -2.302 10.455 562 H SER 92 HN SER 92 12.111 3.040 15.148 563 HA SER 92 HA SER 92 14.693 3.475 16.350 564 1HB SER 92 HB2 SER 92 13.625 5.324 17.517 565 2HB SER 92 HB1 SER 92 13.144 5.349 15.820 566 HG SER 92 HG SER 92 11.240 4.113 16.597 567 H GLU 93 HN GLU 93 15.435 2.536 18.132 568 HA GLU 93 HA GLU 93 13.637 0.881 19.717 569 1HB GLU 93 HB2 GLU 93 15.814 0.174 20.830 570 2HB GLU 93 HB1 GLU 93 15.621 -0.254 19.136 571 1HG GLU 93 HG2 GLU 93 17.347 1.011 18.489 572 2HG GLU 93 HG1 GLU 93 16.924 2.327 19.582 573 H SER 94 HN SER 94 15.635 3.749 20.023 574 HA SER 94 HA SER 94 15.857 5.310 21.665 575 1HB SER 94 HB2 SER 94 13.065 4.315 22.258 576 2HB SER 94 HB1 SER 94 13.787 5.711 23.058 577 HG SER 94 HG SER 94 13.133 6.796 21.392 578 H ARG 95 HN ARG 95 17.533 4.515 22.875 579 HA ARG 95 HA ARG 95 16.918 3.683 25.536 580 1HB ARG 95 HB2 ARG 95 16.798 1.555 24.069 581 2HB ARG 95 HB1 ARG 95 18.549 1.692 23.982 582 1HG ARG 95 HG2 ARG 95 18.801 1.347 26.289 583 2HG ARG 95 HG1 ARG 95 17.089 1.638 26.602 584 1HD ARG 95 HD2 ARG 95 17.034 -0.625 26.669 585 2HD ARG 95 HD1 ARG 95 16.868 -0.430 24.924 586 HE ARG 95 HE ARG 95 19.600 -0.583 25.710 587 1HH1 ARG 95 HH11 ARG 95 16.756 -2.520 25.129 588 2HH1 ARG 95 HH12 ARG 95 17.656 -3.948 24.738 589 1HH2 ARG 95 HH21 ARG 95 20.785 -2.459 25.195 590 2HH2 ARG 95 HH22 ARG 95 19.943 -3.913 24.775 591 H ARG 96 HN ARG 96 19.542 3.557 23.124 592 HA ARG 96 HA ARG 96 21.158 5.243 24.891 593 1HB ARG 96 HB2 ARG 96 22.228 2.737 23.582 594 2HB ARG 96 HB1 ARG 96 23.120 3.843 24.619 595 1HG ARG 96 HG2 ARG 96 21.085 3.175 26.259 596 2HG ARG 96 HG1 ARG 96 21.240 1.694 25.315 597 1HD ARG 96 HD2 ARG 96 23.130 1.127 26.354 598 2HD ARG 96 HD1 ARG 96 23.822 2.732 26.120 599 HE ARG 96 HE ARG 96 22.060 3.106 28.138 600 1HH1 ARG 96 HH11 ARG 96 24.655 0.830 27.626 601 2HH1 ARG 96 HH12 ARG 96 25.015 0.671 29.312 602 1HH2 ARG 96 HH21 ARG 96 22.532 2.898 30.356 603 2HH2 ARG 96 HH22 ARG 96 23.809 1.844 30.863 604 H ALA 97 HN ALA 97 22.599 6.593 23.847 605 HA ALA 97 HA ALA 97 22.208 6.800 20.947 606 1HB ALA 97 HB1 ALA 97 21.648 8.839 21.919 607 2HB ALA 97 HB2 ALA 97 23.298 9.098 21.356 608 3HB ALA 97 HB3 ALA 97 22.989 8.775 23.062 609 H ASP 98 HN ASP 98 23.955 4.795 21.929 610 HA ASP 98 HA ASP 98 26.661 5.783 21.605 611 1HB ASP 98 HB2 ASP 98 25.666 3.744 23.067 612 2HB ASP 98 HB1 ASP 98 26.146 2.864 21.618 613 H GLU 99 HN GLU 99 28.142 4.724 20.053 614 HA GLU 99 HA GLU 99 27.054 4.857 17.415 615 1HB GLU 99 HB2 GLU 99 29.405 4.202 16.742 616 2HB GLU 99 HB1 GLU 99 29.264 5.676 17.690 617 1HG GLU 99 HG2 GLU 99 29.688 3.232 19.257 618 2HG GLU 99 HG1 GLU 99 31.019 3.683 18.193 619 H ARG 100 HN ARG 100 26.737 3.242 15.927 620 HA ARG 100 HA ARG 100 27.267 0.478 16.705 621 1HB ARG 100 HB2 ARG 100 24.924 1.170 17.436 622 2HB ARG 100 HB1 ARG 100 24.533 1.288 15.726 623 1HG ARG 100 HG2 ARG 100 23.805 -0.833 16.296 624 2HG ARG 100 HG1 ARG 100 25.390 -1.133 15.580 625 1HD ARG 100 HD2 ARG 100 26.391 -1.474 17.681 626 2HD ARG 100 HD1 ARG 100 25.021 -0.768 18.539 627 HE ARG 100 HE ARG 100 25.290 -3.478 17.641 628 1HH1 ARG 100 HH11 ARG 100 23.008 -0.957 18.429 629 2HH1 ARG 100 HH12 ARG 100 21.726 -2.061 18.799 630 1HH2 ARG 100 HH21 ARG 100 23.603 -4.931 18.124 631 2HH2 ARG 100 HH22 ARG 100 22.063 -4.317 18.625 632 H LEU 101 HN LEU 101 28.695 0.157 15.060 633 HA LEU 101 HA LEU 101 27.720 0.622 12.322 634 1HB LEU 101 HB2 LEU 101 30.092 1.415 13.505 635 2HB LEU 101 HB1 LEU 101 30.556 -0.008 12.593 636 HG LEU 101 HG LEU 101 29.112 1.308 10.718 637 H LYS 102 HN LYS 102 29.089 -1.733 14.524 638 HA LYS 102 HA LYS 102 29.392 -3.783 12.540 639 1HB LYS 102 HB2 LYS 102 29.777 -5.267 14.506 640 2HB LYS 102 HB1 LYS 102 30.821 -3.853 14.472 641 1HG LYS 102 HG2 LYS 102 28.360 -3.398 15.953 642 2HG LYS 102 HG1 LYS 102 29.327 -4.720 16.609 643 1HD LYS 102 HD2 LYS 102 30.436 -1.992 15.969 644 2HD LYS 102 HD1 LYS 102 29.840 -2.457 17.563 645 1HE LYS 102 HE2 LYS 102 31.903 -4.120 16.178 646 2HE LYS 102 HE1 LYS 102 32.375 -2.652 17.032 647 1HZ LYS 102 HZ1 LYS 102 32.253 -5.001 18.213 648 2HZ LYS 102 HZ2 LYS 102 30.650 -4.519 18.461 649 3HZ LYS 102 HZ3 LYS 102 31.919 -3.561 19.037 650 H ASP 103 HN ASP 103 28.180 -5.745 12.426 651 HA ASP 103 HA ASP 103 25.476 -5.604 13.567 652 1HB ASP 103 HB2 ASP 103 26.268 -5.743 10.714 653 2HB ASP 103 HB1 ASP 103 24.941 -6.792 11.205 654 H SER 104 HN SER 104 25.849 -7.187 15.076 655 HA SER 104 HA SER 104 26.427 -9.870 14.001 656 1HB SER 104 HB2 SER 104 27.617 -10.439 16.001 657 2HB SER 104 HB1 SER 104 28.261 -8.895 15.444 658 HG SER 104 HG SER 104 26.868 -9.501 17.734 659 H PHE 105 HN PHE 105 25.636 -11.619 15.576 660 HA PHE 105 HA PHE 105 23.063 -10.831 16.766 661 1HB PHE 105 HB2 PHE 105 23.315 -12.293 14.424 662 2HB PHE 105 HB1 PHE 105 23.062 -13.531 15.650 663 HD1 PHE 105 HD1 PHE 105 21.433 -11.580 13.351 664 HD2 PHE 105 HD2 PHE 105 21.145 -12.763 17.429 665 HE1 PHE 105 HE1 PHE 105 19.017 -11.114 13.312 666 HE2 PHE 105 HE2 PHE 105 18.728 -12.300 17.396 667 HZ PHE 105 HZ PHE 105 17.661 -11.475 15.336 668 H GLU 106 HN GLU 106 22.781 -11.523 18.787 669 HA GLU 106 HA GLU 106 24.757 -13.344 19.922 670 1HB GLU 106 HB2 GLU 106 23.751 -11.034 20.887 671 2HB GLU 106 HB1 GLU 106 22.649 -12.177 21.643 672 1HG GLU 106 HG2 GLU 106 25.055 -13.340 22.135 673 2HG GLU 106 HG1 GLU 106 25.468 -11.628 22.193 674 H ASN 107 HN ASN 107 24.318 -15.344 20.675 675 HA ASN 107 HA ASN 107 21.518 -16.256 20.561 676 1HB ASN 107 HB2 ASN 107 23.020 -17.094 18.684 677 2HB ASN 107 HB1 ASN 107 23.899 -17.995 19.916 Start of MODEL 19 1 1H MET 1 HT1 MET 1 7.700 -3.952 -9.590 2 2H MET 1 HT2 MET 1 6.766 -2.603 -9.084 3 3H MET 1 HT3 MET 1 6.263 -3.542 -10.430 4 HA MET 1 HA MET 1 6.184 -5.463 -8.844 5 1HB MET 1 HB2 MET 1 5.988 -3.197 -6.857 6 2HB MET 1 HB1 MET 1 5.988 -4.922 -6.519 7 1HG MET 1 HG2 MET 1 8.298 -3.278 -7.522 8 2HG MET 1 HG1 MET 1 8.112 -3.985 -5.918 9 1HE MET 1 HE1 MET 1 9.179 -5.593 -5.208 10 2HE MET 1 HE2 MET 1 10.634 -5.876 -6.164 11 3HE MET 1 HE3 MET 1 9.475 -7.182 -5.915 12 H THR 2 HN THR 2 4.338 -5.670 -10.107 13 HA THR 2 HA THR 2 2.183 -3.815 -10.029 14 HB THR 2 HB THR 2 0.923 -5.557 -11.241 15 HG1 THR 2 HG1 THR 2 3.251 -7.141 -10.920 16 H LEU 3 HN LEU 3 0.900 -3.493 -8.360 17 HA LEU 3 HA LEU 3 0.656 -5.388 -6.236 18 1HB LEU 3 HB2 LEU 3 -0.486 -3.740 -5.059 19 2HB LEU 3 HB1 LEU 3 0.676 -2.866 -6.023 20 HG LEU 3 HG LEU 3 -1.256 -1.575 -6.153 21 H ASN 4 HN ASN 4 -0.839 -6.850 -5.867 22 HA ASN 4 HA ASN 4 -2.956 -7.188 -7.838 23 1HB ASN 4 HB2 ASN 4 -2.219 -9.036 -5.574 24 2HB ASN 4 HB1 ASN 4 -3.175 -9.422 -7.002 25 H ILE 5 HN ILE 5 -5.113 -7.806 -7.154 26 HA ILE 5 HA ILE 5 -5.912 -6.712 -4.547 27 HB ILE 5 HB ILE 5 -7.524 -6.251 -7.055 28 H THR 6 HN THR 6 -7.759 -7.670 -3.618 29 HA THR 6 HA THR 6 -8.478 -10.257 -4.819 30 HB THR 6 HB THR 6 -9.013 -9.506 -1.957 31 HG1 THR 6 HG1 THR 6 -6.973 -9.548 -1.562 32 H SER 7 HN SER 7 -10.094 -8.022 -2.555 33 HA SER 7 HA SER 7 -12.183 -7.129 -2.535 34 1HB SER 7 HB2 SER 7 -12.562 -7.943 -5.406 35 2HB SER 7 HB1 SER 7 -13.248 -6.560 -4.553 36 HG SER 7 HG SER 7 -10.575 -6.946 -5.393 37 H LYS 8 HN LYS 8 -13.214 -8.471 -1.158 38 HA LYS 8 HA LYS 8 -13.985 -11.111 -1.748 39 1HB LYS 8 HB2 LYS 8 -14.868 -11.182 0.368 40 2HB LYS 8 HB1 LYS 8 -13.776 -9.817 0.535 41 1HG LYS 8 HG2 LYS 8 -15.733 -8.319 0.058 42 2HG LYS 8 HG1 LYS 8 -16.760 -9.749 0.171 43 1HD LYS 8 HD2 LYS 8 -15.722 -10.128 2.460 44 2HD LYS 8 HD1 LYS 8 -15.070 -8.495 2.320 45 1HE LYS 8 HE2 LYS 8 -17.116 -7.510 2.529 46 2HE LYS 8 HE1 LYS 8 -17.964 -8.868 1.791 47 1HZ LYS 8 HZ1 LYS 8 -18.590 -9.208 3.916 48 2HZ LYS 8 HZ2 LYS 8 -17.246 -8.420 4.574 49 3HZ LYS 8 HZ3 LYS 8 -17.103 -10.011 4.018 50 H GLN 9 HN GLN 9 -15.811 -8.065 -1.886 51 HA GLN 9 HA GLN 9 -17.893 -9.512 -3.376 52 1HB GLN 9 HB2 GLN 9 -19.329 -7.458 -2.577 53 2HB GLN 9 HB1 GLN 9 -19.086 -8.852 -1.534 54 1HG GLN 9 HG2 GLN 9 -17.620 -7.722 -0.147 55 2HG GLN 9 HG1 GLN 9 -17.238 -6.508 -1.368 56 H MET 10 HN MET 10 -17.669 -6.012 -3.003 57 HA MET 10 HA MET 10 -18.211 -5.316 -5.565 58 1HB MET 10 HB2 MET 10 -16.977 -3.192 -5.117 59 2HB MET 10 HB1 MET 10 -18.130 -3.646 -3.874 60 1HG MET 10 HG2 MET 10 -15.964 -4.777 -2.833 61 2HG MET 10 HG1 MET 10 -15.184 -3.506 -3.769 62 1HE MET 10 HE1 MET 10 -14.736 -1.023 -1.794 63 2HE MET 10 HE2 MET 10 -14.123 -2.642 -2.130 64 3HE MET 10 HE3 MET 10 -14.667 -2.230 -0.507 65 H ASP 11 HN ASP 11 -17.289 -6.076 -7.366 66 HA ASP 11 HA ASP 11 -14.713 -7.105 -7.571 67 1HB ASP 11 HB2 ASP 11 -16.304 -5.897 -9.838 68 2HB ASP 11 HB1 ASP 11 -15.050 -7.127 -9.959 69 H ILE 12 HN ILE 12 -13.242 -6.129 -9.498 70 HA ILE 12 HA ILE 12 -12.446 -3.495 -8.495 71 HB ILE 12 HB ILE 12 -10.583 -4.490 -10.435 72 H THR 13 HN THR 13 -12.185 -1.735 -9.792 73 HA THR 13 HA THR 13 -12.827 -1.937 -12.626 74 HB THR 13 HB THR 13 -14.676 -0.589 -12.596 75 HG1 THR 13 HG1 THR 13 -15.056 0.974 -10.965 76 HA PRO 14 HA PRO 14 -9.880 1.163 -13.696 77 1HB PRO 14 HB2 PRO 14 -12.144 3.118 -13.865 78 2HB PRO 14 HB1 PRO 14 -10.777 2.895 -14.965 79 1HG PRO 14 HG2 PRO 14 -13.176 1.878 -15.543 80 2HG PRO 14 HG1 PRO 14 -11.688 0.995 -15.927 81 1HD PRO 14 HD2 PRO 14 -13.720 0.445 -13.857 82 2HD PRO 14 HD1 PRO 14 -12.564 -0.659 -14.624 83 H ALA 15 HN ALA 15 -12.401 2.330 -11.471 84 HA ALA 15 HA ALA 15 -10.937 4.438 -10.343 85 1HB ALA 15 HB1 ALA 15 -12.524 3.766 -8.292 86 2HB ALA 15 HB2 ALA 15 -13.338 2.887 -9.586 87 3HB ALA 15 HB3 ALA 15 -13.105 4.631 -9.715 88 H ILE 16 HN ILE 16 -11.766 1.601 -8.378 89 HA ILE 16 HA ILE 16 -9.710 1.838 -6.570 90 HB ILE 16 HB ILE 16 -9.904 -0.784 -6.454 91 H ARG 17 HN ARG 17 -9.708 -0.278 -9.464 92 HA ARG 17 HA ARG 17 -7.222 -1.383 -9.358 93 1HB ARG 17 HB2 ARG 17 -8.357 -0.045 -11.829 94 2HB ARG 17 HB1 ARG 17 -7.177 -1.339 -11.789 95 1HG ARG 17 HG2 ARG 17 -9.685 -1.946 -10.417 96 2HG ARG 17 HG1 ARG 17 -9.836 -1.666 -12.150 97 1HD ARG 17 HD2 ARG 17 -7.605 -3.280 -11.947 98 2HD ARG 17 HD1 ARG 17 -8.694 -3.924 -10.720 99 HE ARG 17 HE ARG 17 -9.918 -3.463 -13.291 100 1HH1 ARG 17 HH11 ARG 17 -8.220 -5.749 -11.272 101 2HH1 ARG 17 HH12 ARG 17 -8.814 -7.133 -12.126 102 1HH2 ARG 17 HH21 ARG 17 -10.699 -5.281 -14.414 103 2HH2 ARG 17 HH22 ARG 17 -10.220 -6.868 -13.910 104 H GLU 18 HN GLU 18 -7.872 1.667 -11.044 105 HA GLU 18 HA GLU 18 -5.247 2.541 -11.339 106 1HB GLU 18 HB2 GLU 18 -7.117 3.553 -12.539 107 2HB GLU 18 HB1 GLU 18 -7.778 4.173 -11.031 108 1HG GLU 18 HG2 GLU 18 -5.577 5.444 -10.795 109 2HG GLU 18 HG1 GLU 18 -5.309 5.045 -12.491 110 H HIS 19 HN HIS 19 -7.536 3.081 -8.691 111 HA HIS 19 HA HIS 19 -5.993 4.876 -7.183 112 1HB HIS 19 HB2 HIS 19 -8.476 4.061 -6.942 113 2HB HIS 19 HB1 HIS 19 -7.776 2.823 -5.910 114 HD1 HIS 19 HD1 HIS 19 -6.599 6.412 -5.922 115 HD2 HIS 19 HD2 HIS 19 -8.790 3.761 -3.619 116 HE1 HIS 19 HE1 HIS 19 -7.000 7.606 -3.741 117 HE2 HIS 19 HE2 HIS 19 -8.442 6.027 -2.405 118 H LEU 20 HN LEU 20 -6.596 1.480 -6.388 119 HA LEU 20 HA LEU 20 -4.663 0.965 -4.557 120 1HB LEU 20 HB2 LEU 20 -5.302 -0.942 -6.789 121 2HB LEU 20 HB1 LEU 20 -4.852 -1.325 -5.135 122 HG LEU 20 HG LEU 20 -7.435 -0.008 -5.979 123 H GLU 21 HN GLU 21 -4.246 0.659 -8.087 124 HA GLU 21 HA GLU 21 -1.521 -0.014 -8.028 125 1HB GLU 21 HB2 GLU 21 -3.015 1.474 -10.198 126 2HB GLU 21 HB1 GLU 21 -1.480 0.639 -10.387 127 1HG GLU 21 HG2 GLU 21 -2.445 -1.442 -10.322 128 2HG GLU 21 HG1 GLU 21 -3.844 -0.883 -9.410 129 H GLU 22 HN GLU 22 -3.057 3.147 -8.650 130 HA GLU 22 HA GLU 22 -0.742 4.682 -8.753 131 1HB GLU 22 HB2 GLU 22 -2.963 5.560 -9.333 132 2HB GLU 22 HB1 GLU 22 -3.444 5.478 -7.643 133 1HG GLU 22 HG2 GLU 22 -1.003 7.011 -8.104 134 2HG GLU 22 HG1 GLU 22 -2.431 7.673 -8.899 135 H ARG 23 HN ARG 23 -2.606 3.563 -5.980 136 HA ARG 23 HA ARG 23 -1.322 5.032 -3.975 137 1HB ARG 23 HB2 ARG 23 -2.774 2.405 -3.991 138 2HB ARG 23 HB1 ARG 23 -2.000 2.996 -2.527 139 1HG ARG 23 HG2 ARG 23 -4.221 4.303 -4.075 140 2HG ARG 23 HG1 ARG 23 -4.288 3.618 -2.454 141 1HD ARG 23 HD2 ARG 23 -2.363 5.379 -2.021 142 2HD ARG 23 HD1 ARG 23 -3.136 6.192 -3.382 143 HE ARG 23 HE ARG 23 -4.967 5.375 -1.319 144 1HH1 ARG 23 HH11 ARG 23 -2.812 7.898 -2.403 145 2HH1 ARG 23 HH12 ARG 23 -3.624 9.143 -1.515 146 1HH2 ARG 23 HH21 ARG 23 -6.036 7.013 -0.154 147 2HH2 ARG 23 HH22 ARG 23 -5.454 8.642 -0.239 148 H LEU 24 HN LEU 24 -0.699 1.687 -5.092 149 HA LEU 24 HA LEU 24 1.594 1.292 -3.521 150 1HB LEU 24 HB2 LEU 24 0.231 -0.394 -4.983 151 2HB LEU 24 HB1 LEU 24 1.352 0.076 -6.248 152 HG LEU 24 HG LEU 24 3.058 -0.476 -4.181 153 H ALA 25 HN ALA 25 1.195 2.524 -6.818 154 HA ALA 25 HA ALA 25 3.887 2.863 -7.474 155 1HB ALA 25 HB1 ALA 25 1.325 4.001 -8.407 156 2HB ALA 25 HB2 ALA 25 2.640 3.265 -9.323 157 3HB ALA 25 HB3 ALA 25 2.772 4.937 -8.778 158 H LYS 26 HN LYS 26 1.714 4.756 -5.503 159 HA LYS 26 HA LYS 26 3.466 7.013 -5.247 160 1HB LYS 26 HB2 LYS 26 0.914 6.982 -4.940 161 2HB LYS 26 HB1 LYS 26 1.233 6.292 -3.354 162 1HG LYS 26 HG2 LYS 26 1.033 8.540 -2.891 163 2HG LYS 26 HG1 LYS 26 2.780 8.342 -3.041 164 1HD LYS 26 HD2 LYS 26 1.393 8.958 -5.555 165 2HD LYS 26 HD1 LYS 26 1.313 10.233 -4.338 166 1HE LYS 26 HE2 LYS 26 3.773 8.960 -5.519 167 2HE LYS 26 HE1 LYS 26 3.244 10.633 -5.680 168 1HZ LYS 26 HZ1 LYS 26 3.446 10.582 -3.095 169 2HZ LYS 26 HZ2 LYS 26 4.819 10.819 -4.054 170 3HZ LYS 26 HZ3 LYS 26 4.502 9.295 -3.393 171 H LEU 27 HN LEU 27 2.738 4.100 -3.399 172 HA LEU 27 HA LEU 27 4.426 4.801 -1.197 173 1HB LEU 27 HB2 LEU 27 2.725 2.528 -1.942 174 2HB LEU 27 HB1 LEU 27 4.169 2.063 -1.064 175 HG LEU 27 HG LEU 27 1.958 3.887 -0.137 176 H GLY 28 HN GLY 28 5.068 3.833 -4.335 177 1HA GLY 28 HA2 GLY 28 7.240 2.075 -4.007 178 2HA GLY 28 HA1 GLY 28 6.953 3.093 -5.407 179 H LYS 29 HN LYS 29 7.049 5.576 -3.858 180 HA LYS 29 HA LYS 29 9.860 6.005 -4.007 181 1HB LYS 29 HB2 LYS 29 9.406 8.277 -3.443 182 2HB LYS 29 HB1 LYS 29 8.141 7.738 -4.533 183 1HG LYS 29 HG2 LYS 29 6.544 8.166 -3.041 184 2HG LYS 29 HG1 LYS 29 7.426 7.363 -1.742 185 1HD LYS 29 HD2 LYS 29 8.814 9.751 -2.296 186 2HD LYS 29 HD1 LYS 29 7.099 10.165 -2.250 187 1HE LYS 29 HE2 LYS 29 6.943 8.971 -0.067 188 2HE LYS 29 HE1 LYS 29 8.693 8.764 -0.109 189 1HZ LYS 29 HZ1 LYS 29 8.476 11.392 -0.512 190 2HZ LYS 29 HZ2 LYS 29 8.663 10.691 1.016 191 3HZ LYS 29 HZ3 LYS 29 7.124 11.130 0.471 192 H TRP 30 HN TRP 30 7.951 4.699 -1.584 193 HA TRP 30 HA TRP 30 9.412 5.728 0.666 194 1HB TRP 30 HB2 TRP 30 7.254 3.679 0.309 195 2HB TRP 30 HB1 TRP 30 8.118 3.825 1.834 196 HD1 TRP 30 HD1 TRP 30 5.790 5.882 -0.455 197 HE1 TRP 30 HE1 TRP 30 4.645 7.681 0.992 198 HE3 TRP 30 HE3 TRP 30 8.293 5.103 3.905 199 HZ2 TRP 30 HZ2 TRP 30 4.802 8.641 3.658 200 HZ3 TRP 30 HZ3 TRP 30 7.758 6.503 5.848 201 HH2 TRP 30 HH2 TRP 30 6.046 8.235 5.730 202 H GLN 31 HN GLN 31 11.529 5.176 0.631 203 HA GLN 31 HA GLN 31 12.981 3.242 -0.375 204 1HB GLN 31 HB2 GLN 31 14.446 3.248 1.637 205 2HB GLN 31 HB1 GLN 31 14.004 4.849 1.066 206 1HG GLN 31 HG2 GLN 31 12.585 3.464 3.325 207 2HG GLN 31 HG1 GLN 31 13.979 4.514 3.556 208 H THR 32 HN THR 32 11.361 1.499 -0.637 209 HA THR 32 HA THR 32 11.972 -0.670 1.130 210 HB THR 32 HB THR 32 9.279 0.644 1.081 211 HG1 THR 32 HG1 THR 32 10.748 -0.678 3.113 212 H GLN 33 HN GLN 33 10.931 -2.710 0.289 213 HA GLN 33 HA GLN 33 10.410 -2.558 -2.595 214 1HB GLN 33 HB2 GLN 33 11.526 -4.922 -2.582 215 2HB GLN 33 HB1 GLN 33 12.524 -3.480 -2.678 216 1HG GLN 33 HG2 GLN 33 11.919 -4.677 -0.020 217 2HG GLN 33 HG1 GLN 33 13.146 -5.410 -1.050 218 H LEU 34 HN LEU 34 8.273 -2.763 -2.400 219 HA LEU 34 HA LEU 34 6.883 -4.290 -0.600 220 1HB LEU 34 HB2 LEU 34 5.916 -3.832 -3.406 221 2HB LEU 34 HB1 LEU 34 4.965 -3.968 -1.946 222 HG LEU 34 HG LEU 34 4.848 -1.721 -2.173 223 H ILE 35 HN ILE 35 7.666 -6.330 -0.296 224 HA ILE 35 HA ILE 35 8.173 -8.189 -2.368 225 HB ILE 35 HB ILE 35 7.603 -8.604 0.565 226 H SER 36 HN SER 36 6.342 -8.102 -3.724 227 HA SER 36 HA SER 36 4.304 -8.756 -4.520 228 1HB SER 36 HB2 SER 36 4.879 -10.999 -4.036 229 2HB SER 36 HB1 SER 36 4.774 -10.741 -2.294 230 HG SER 36 HG SER 36 2.952 -11.861 -3.039 231 HA PRO 37 HA PRO 37 1.823 -6.384 -1.575 232 1HB PRO 37 HB2 PRO 37 1.240 -4.367 -3.244 233 2HB PRO 37 HB1 PRO 37 2.813 -4.500 -2.452 234 1HG PRO 37 HG2 PRO 37 2.098 -4.958 -5.271 235 2HG PRO 37 HG1 PRO 37 3.661 -4.555 -4.567 236 1HD PRO 37 HD2 PRO 37 2.649 -7.124 -5.368 237 2HD PRO 37 HD1 PRO 37 4.250 -6.718 -4.726 238 H HIS 38 HN HIS 38 -0.269 -6.702 -1.204 239 HA HIS 38 HA HIS 38 -2.080 -7.226 -3.459 240 1HB HIS 38 HB2 HIS 38 -1.416 -9.030 -1.523 241 2HB HIS 38 HB1 HIS 38 -2.874 -8.325 -0.858 242 HD1 HIS 38 HD1 HIS 38 -1.614 -10.430 -3.643 243 HD2 HIS 38 HD2 HIS 38 -5.218 -8.901 -2.273 244 HE1 HIS 38 HE1 HIS 38 -3.400 -11.688 -4.900 245 HE2 HIS 38 HE2 HIS 38 -5.569 -10.660 -4.139 246 H PHE 39 HN PHE 39 -4.421 -7.000 -2.665 247 HA PHE 39 HA PHE 39 -4.806 -4.966 -0.662 248 1HB PHE 39 HB2 PHE 39 -4.723 -4.297 -3.476 249 2HB PHE 39 HB1 PHE 39 -6.283 -3.922 -2.756 250 HD1 PHE 39 HD1 PHE 39 -6.591 -2.048 -1.423 251 HD2 PHE 39 HD2 PHE 39 -2.647 -3.352 -2.348 252 HE1 PHE 39 HE1 PHE 39 -5.682 0.008 -0.426 253 HE2 PHE 39 HE2 PHE 39 -1.730 -1.297 -1.350 254 HZ PHE 39 HZ PHE 39 -3.251 0.385 -0.387 255 H VAL 40 HN VAL 40 -6.380 -5.765 0.527 256 HA VAL 40 HA VAL 40 -8.448 -7.394 -0.704 257 HB VAL 40 HB VAL 40 -7.898 -6.811 2.212 258 H LEU 41 HN LEU 41 -10.100 -6.299 -1.502 259 HA LEU 41 HA LEU 41 -10.959 -3.816 -0.206 260 1HB LEU 41 HB2 LEU 41 -10.825 -4.762 -2.944 261 2HB LEU 41 HB1 LEU 41 -12.431 -4.184 -2.564 262 HG LEU 41 HG LEU 41 -9.852 -2.670 -2.655 263 H ASN 42 HN ASN 42 -12.936 -3.593 0.754 264 HA ASN 42 HA ASN 42 -15.023 -5.482 0.134 265 1HB ASN 42 HB2 ASN 42 -14.327 -5.240 3.034 266 2HB ASN 42 HB1 ASN 42 -15.358 -6.422 2.244 267 H LYS 43 HN LYS 43 -17.055 -4.982 1.029 268 HA LYS 43 HA LYS 43 -17.362 -2.177 1.901 269 1HB LYS 43 HB2 LYS 43 -18.280 -1.869 -0.157 270 2HB LYS 43 HB1 LYS 43 -18.544 -3.586 -0.418 271 1HG LYS 43 HG2 LYS 43 -20.541 -3.474 1.041 272 2HG LYS 43 HG1 LYS 43 -20.289 -1.740 1.224 273 1HD LYS 43 HD2 LYS 43 -20.241 -2.035 -1.497 274 2HD LYS 43 HD1 LYS 43 -21.424 -3.253 -1.017 275 1HE LYS 43 HE2 LYS 43 -21.478 -0.332 -0.266 276 2HE LYS 43 HE1 LYS 43 -22.495 -1.107 -1.480 277 1HZ LYS 43 HZ1 LYS 43 -22.557 -2.290 1.172 278 2HZ LYS 43 HZ2 LYS 43 -23.818 -2.013 0.079 279 3HZ LYS 43 HZ3 LYS 43 -23.241 -0.747 1.042 280 H VAL 44 HN VAL 44 -19.585 -1.828 2.855 281 HA VAL 44 HA VAL 44 -20.979 -4.099 3.861 282 HB VAL 44 HB VAL 44 -20.658 -3.301 6.262 283 HA PRO 45 HA PRO 45 -24.462 -1.443 4.082 284 1HB PRO 45 HB2 PRO 45 -24.756 -2.223 6.946 285 2HB PRO 45 HB1 PRO 45 -25.951 -2.251 5.644 286 1HG PRO 45 HG2 PRO 45 -24.808 -4.504 6.481 287 2HG PRO 45 HG1 PRO 45 -25.136 -4.235 4.759 288 1HD PRO 45 HD2 PRO 45 -22.551 -4.119 6.238 289 2HD PRO 45 HD1 PRO 45 -22.880 -4.643 4.574 290 H ASN 46 HN ASN 46 -22.449 -1.318 7.000 291 HA ASN 46 HA ASN 46 -23.200 1.400 7.573 292 1HB ASN 46 HB2 ASN 46 -21.570 1.207 9.426 293 2HB ASN 46 HB1 ASN 46 -22.743 -0.107 9.414 294 H GLY 47 HN GLY 47 -21.247 0.255 5.210 295 1HA GLY 47 HA2 GLY 47 -20.152 2.472 4.257 296 2HA GLY 47 HA1 GLY 47 -19.088 2.162 5.610 297 H PHE 48 HN PHE 48 -17.326 1.811 4.448 298 HA PHE 48 HA PHE 48 -17.248 -0.621 2.809 299 1HB PHE 48 HB2 PHE 48 -15.901 2.020 2.392 300 2HB PHE 48 HB1 PHE 48 -15.284 0.574 1.662 301 HD1 PHE 48 HD1 PHE 48 -17.920 3.070 1.611 302 HD2 PHE 48 HD2 PHE 48 -16.492 -0.541 -0.115 303 HE1 PHE 48 HE1 PHE 48 -19.426 3.395 -0.310 304 HE2 PHE 48 HE2 PHE 48 -17.995 -0.234 -2.032 305 HZ PHE 48 HZ PHE 48 -19.456 1.738 -2.136 306 H SER 49 HN SER 49 -15.764 -2.103 3.448 307 HA SER 49 HA SER 49 -13.799 -1.236 5.444 308 1HB SER 49 HB2 SER 49 -13.826 -4.013 5.517 309 2HB SER 49 HB1 SER 49 -14.556 -2.920 6.678 310 HG SER 49 HG SER 49 -16.288 -4.012 6.082 311 H VAL 50 HN VAL 50 -11.847 -1.141 4.820 312 HA VAL 50 HA VAL 50 -10.998 -2.683 2.454 313 HB VAL 50 HB VAL 50 -9.589 -0.183 3.311 314 H GLU 51 HN GLU 51 -8.900 -3.557 2.446 315 HA GLU 51 HA GLU 51 -7.260 -3.345 4.825 316 1HB GLU 51 HB2 GLU 51 -8.627 -5.132 5.568 317 2HB GLU 51 HB1 GLU 51 -8.609 -5.896 3.994 318 1HG GLU 51 HG2 GLU 51 -6.802 -7.076 4.486 319 2HG GLU 51 HG1 GLU 51 -5.938 -5.644 5.042 320 H ALA 52 HN ALA 52 -5.209 -3.292 4.260 321 HA ALA 52 HA ALA 52 -4.477 -4.279 1.585 322 1HB ALA 52 HB1 ALA 52 -3.978 -2.059 1.436 323 2HB ALA 52 HB2 ALA 52 -2.451 -2.654 2.088 324 3HB ALA 52 HB3 ALA 52 -3.635 -1.906 3.159 325 H SER 53 HN SER 53 -2.587 -5.459 1.305 326 HA SER 53 HA SER 53 -1.076 -6.217 3.679 327 1HB SER 53 HB2 SER 53 -1.227 -8.657 2.820 328 2HB SER 53 HB1 SER 53 -2.589 -8.001 3.730 329 HG SER 53 HG SER 53 -2.405 -8.700 1.055 330 H ILE 54 HN ILE 54 0.846 -5.495 3.058 331 HA ILE 54 HA ILE 54 1.915 -6.443 0.480 332 HB ILE 54 HB ILE 54 2.805 -3.914 1.865 333 H GLY 55 HN GLY 55 4.390 -6.551 0.527 334 1HA GLY 55 HA2 GLY 55 5.251 -7.509 3.166 335 2HA GLY 55 HA1 GLY 55 5.718 -8.283 1.676 336 H THR 56 HN THR 56 7.342 -7.195 3.767 337 HA THR 56 HA THR 56 9.059 -5.549 2.112 338 HB THR 56 HB THR 56 9.034 -3.656 3.316 339 HG1 THR 56 HG1 THR 56 8.420 -4.560 5.828 340 HA PRO 57 HA PRO 57 12.174 -8.205 3.851 341 1HB PRO 57 HB2 PRO 57 13.955 -5.842 3.808 342 2HB PRO 57 HB1 PRO 57 14.169 -7.425 3.056 343 1HG PRO 57 HG2 PRO 57 13.558 -5.213 1.643 344 2HG PRO 57 HG1 PRO 57 13.023 -6.830 1.166 345 1HD PRO 57 HD2 PRO 57 11.481 -4.595 2.356 346 2HD PRO 57 HD1 PRO 57 10.952 -5.907 1.285 347 H LEU 58 HN LEU 58 11.216 -5.142 5.166 348 HA LEU 58 HA LEU 58 12.628 -5.626 7.672 349 1HB LEU 58 HB2 LEU 58 10.822 -3.300 7.400 350 2HB LEU 58 HB1 LEU 58 12.412 -3.408 8.128 351 HG LEU 58 HG LEU 58 11.837 -3.257 5.166 352 H GLY 59 HN GLY 59 9.524 -6.037 6.280 353 1HA GLY 59 HA2 GLY 59 8.396 -7.613 8.130 354 2HA GLY 59 HA1 GLY 59 8.098 -6.029 8.804 355 H ASN 60 HN ASN 60 6.495 -8.312 7.420 356 HA ASN 60 HA ASN 60 5.347 -7.398 5.071 357 1HB ASN 60 HB2 ASN 60 4.004 -8.956 7.288 358 2HB ASN 60 HB1 ASN 60 3.457 -8.852 5.620 359 H LEU 61 HN LEU 61 4.006 -5.787 4.573 360 HA LEU 61 HA LEU 61 2.988 -4.088 6.699 361 1HB LEU 61 HB2 LEU 61 3.256 -3.847 3.732 362 2HB LEU 61 HB1 LEU 61 2.105 -2.823 4.560 363 HG LEU 61 HG LEU 61 4.817 -2.817 5.715 364 H LEU 62 HN LEU 62 0.870 -3.832 7.218 365 HA LEU 62 HA LEU 62 -1.197 -4.990 5.561 366 1HB LEU 62 HB2 LEU 62 -1.064 -5.805 8.448 367 2HB LEU 62 HB1 LEU 62 -2.117 -6.429 7.197 368 HG LEU 62 HG LEU 62 0.866 -6.827 7.127 369 H ALA 63 HN ALA 63 -3.277 -4.234 6.085 370 HA ALA 63 HA ALA 63 -3.685 -2.403 8.255 371 1HB ALA 63 HB1 ALA 63 -4.301 -0.496 6.690 372 2HB ALA 63 HB2 ALA 63 -3.394 -1.363 5.451 373 3HB ALA 63 HB3 ALA 63 -2.582 -0.816 6.917 374 H SER 64 HN SER 64 -5.890 -1.523 8.274 375 HA SER 64 HA SER 64 -7.852 -2.477 6.451 376 1HB SER 64 HB2 SER 64 -8.946 -3.773 8.578 377 2HB SER 64 HB1 SER 64 -8.013 -4.569 7.310 378 HG SER 64 HG SER 64 -7.460 -4.425 9.894 379 H ALA 65 HN ALA 65 -9.654 -1.233 6.600 380 HA ALA 65 HA ALA 65 -10.362 0.029 9.115 381 1HB ALA 65 HB1 ALA 65 -10.179 2.278 8.391 382 2HB ALA 65 HB2 ALA 65 -9.799 1.787 6.740 383 3HB ALA 65 HB3 ALA 65 -8.635 1.503 8.035 384 H THR 66 HN THR 66 -12.420 1.099 9.068 385 HA THR 66 HA THR 66 -14.129 0.343 6.787 386 HB THR 66 HB THR 66 -14.852 0.230 9.724 387 HG1 THR 66 HG1 THR 66 -14.124 -1.712 9.602 388 H SER 67 HN SER 67 -15.425 1.956 6.010 389 HA SER 67 HA SER 67 -16.323 4.115 7.633 390 1HB SER 67 HB2 SER 67 -13.754 4.396 6.407 391 2HB SER 67 HB1 SER 67 -14.873 5.509 5.636 392 HG SER 67 HG SER 67 -14.663 5.283 8.445 393 H ASP 68 HN ASP 68 -17.642 5.644 6.449 394 HA ASP 68 HA ASP 68 -19.052 4.363 4.293 395 1HB ASP 68 HB2 ASP 68 -19.858 6.021 6.267 396 2HB ASP 68 HB1 ASP 68 -19.661 7.185 4.960 397 H ASP 69 HN ASP 69 -16.217 5.934 4.287 398 HA ASP 69 HA ASP 69 -16.725 7.194 1.677 399 1HB ASP 69 HB2 ASP 69 -14.976 8.014 3.967 400 2HB ASP 69 HB1 ASP 69 -14.532 8.474 2.325 401 H MET 70 HN MET 70 -16.233 5.519 0.378 402 HA MET 70 HA MET 70 -14.491 3.507 0.476 403 1HB MET 70 HB2 MET 70 -15.710 5.087 -1.627 404 2HB MET 70 HB1 MET 70 -14.178 4.397 -2.137 405 1HG MET 70 HG2 MET 70 -15.486 2.317 -0.843 406 2HG MET 70 HG1 MET 70 -16.747 3.137 -1.761 407 1HE MET 70 HE1 MET 70 -13.689 0.277 -2.889 408 2HE MET 70 HE2 MET 70 -13.655 1.350 -1.489 409 3HE MET 70 HE3 MET 70 -12.773 1.787 -2.962 410 H TYR 71 HN TYR 71 -13.480 6.425 -1.302 411 HA TYR 71 HA TYR 71 -10.777 5.671 -1.299 412 1HB TYR 71 HB2 TYR 71 -12.285 8.079 -2.123 413 2HB TYR 71 HB1 TYR 71 -10.551 8.271 -1.852 414 HD1 TYR 71 HD1 TYR 71 -11.693 4.998 -2.859 415 HD2 TYR 71 HD2 TYR 71 -10.343 8.761 -4.319 416 HE1 TYR 71 HE1 TYR 71 -11.221 3.965 -5.019 417 HE2 TYR 71 HE2 TYR 71 -9.879 7.740 -6.509 418 HH TYR 71 HH TYR 71 -10.961 4.590 -7.338 419 H LYS 72 HN LYS 72 -12.645 7.268 1.109 420 HA LYS 72 HA LYS 72 -10.388 8.442 2.448 421 1HB LYS 72 HB2 LYS 72 -12.739 9.235 2.715 422 2HB LYS 72 HB1 LYS 72 -13.034 7.763 3.610 423 1HG LYS 72 HG2 LYS 72 -12.650 9.281 5.297 424 2HG LYS 72 HG1 LYS 72 -11.066 8.532 5.087 425 1HD LYS 72 HD2 LYS 72 -10.443 10.727 5.070 426 2HD LYS 72 HD1 LYS 72 -10.770 10.510 3.350 427 1HE LYS 72 HE2 LYS 72 -12.706 11.728 3.423 428 2HE LYS 72 HE1 LYS 72 -13.014 11.339 5.115 429 1HZ LYS 72 HZ1 LYS 72 -11.299 13.428 3.971 430 2HZ LYS 72 HZ2 LYS 72 -10.889 12.777 5.477 431 3HZ LYS 72 HZ3 LYS 72 -12.392 13.521 5.259 432 H ALA 73 HN ALA 73 -12.273 5.477 2.581 433 HA ALA 73 HA ALA 73 -11.092 4.340 4.884 434 1HB ALA 73 HB1 ALA 73 -13.185 3.572 3.516 435 2HB ALA 73 HB2 ALA 73 -12.169 2.359 4.295 436 3HB ALA 73 HB3 ALA 73 -12.006 2.668 2.566 437 H ILE 74 HN ILE 74 -10.434 4.212 1.434 438 HA ILE 74 HA ILE 74 -8.080 2.629 1.551 439 HB ILE 74 HB ILE 74 -9.312 4.498 -0.450 440 H ASN 75 HN ASN 75 -8.889 6.001 1.793 441 HA ASN 75 HA ASN 75 -6.379 7.202 1.835 442 1HB ASN 75 HB2 ASN 75 -8.908 8.050 1.864 443 2HB ASN 75 HB1 ASN 75 -8.594 8.228 3.581 444 H GLU 76 HN GLU 76 -8.331 5.665 4.310 445 HA GLU 76 HA GLU 76 -6.613 6.275 6.506 446 1HB GLU 76 HB2 GLU 76 -9.158 5.071 6.113 447 2HB GLU 76 HB1 GLU 76 -8.163 3.910 6.985 448 1HG GLU 76 HG2 GLU 76 -9.242 5.158 8.638 449 2HG GLU 76 HG1 GLU 76 -7.602 5.803 8.575 450 H VAL 77 HN VAL 77 -7.256 3.241 4.715 451 HA VAL 77 HA VAL 77 -5.398 1.586 5.874 452 HB VAL 77 HB VAL 77 -5.770 1.600 2.891 453 H GLU 78 HN GLU 78 -4.903 3.723 3.078 454 HA GLU 78 HA GLU 78 -2.214 3.187 2.666 455 1HB GLU 78 HB2 GLU 78 -3.895 4.657 1.305 456 2HB GLU 78 HB1 GLU 78 -3.295 5.965 2.316 457 1HG GLU 78 HG2 GLU 78 -1.489 4.195 0.698 458 2HG GLU 78 HG1 GLU 78 -2.189 5.687 0.072 459 H GLU 79 HN GLU 79 -3.805 5.227 5.003 460 HA GLU 79 HA GLU 79 -1.475 6.590 5.903 461 1HB GLU 79 HB2 GLU 79 -4.116 6.978 6.304 462 2HB GLU 79 HB1 GLU 79 -3.712 6.150 7.801 463 1HG GLU 79 HG2 GLU 79 -1.991 8.410 6.940 464 2HG GLU 79 HG1 GLU 79 -3.592 8.771 7.584 465 H LYS 80 HN LYS 80 -3.226 3.693 6.954 466 HA LYS 80 HA LYS 80 -1.538 3.169 9.186 467 1HB LYS 80 HB2 LYS 80 -3.881 2.056 8.107 468 2HB LYS 80 HB1 LYS 80 -2.693 0.764 8.060 469 1HG LYS 80 HG2 LYS 80 -3.491 0.411 10.143 470 2HG LYS 80 HG1 LYS 80 -2.256 1.606 10.542 471 1HD LYS 80 HD2 LYS 80 -4.646 2.975 9.796 472 2HD LYS 80 HD1 LYS 80 -5.052 1.742 10.991 473 1HE LYS 80 HE2 LYS 80 -4.518 3.548 12.327 474 2HE LYS 80 HE1 LYS 80 -2.989 2.672 12.267 475 1HZ LYS 80 HZ1 LYS 80 -3.140 5.248 11.801 476 2HZ LYS 80 HZ2 LYS 80 -3.453 4.711 10.228 477 3HZ LYS 80 HZ3 LYS 80 -2.018 4.264 11.002 478 H LEU 81 HN LEU 81 -1.662 1.955 5.862 479 HA LEU 81 HA LEU 81 0.517 0.192 6.029 480 1HB LEU 81 HB2 LEU 81 -1.228 1.196 3.996 481 2HB LEU 81 HB1 LEU 81 0.418 1.329 3.411 482 HG LEU 81 HG LEU 81 -0.999 -0.815 2.937 483 H GLU 82 HN GLU 82 0.346 3.636 5.134 484 HA GLU 82 HA GLU 82 3.116 3.899 4.570 485 1HB GLU 82 HB2 GLU 82 1.316 5.484 3.844 486 2HB GLU 82 HB1 GLU 82 1.226 6.062 5.499 487 1HG GLU 82 HG2 GLU 82 3.915 6.057 4.332 488 2HG GLU 82 HG1 GLU 82 2.766 7.157 3.569 489 H ARG 83 HN ARG 83 1.186 4.912 7.390 490 HA ARG 83 HA ARG 83 3.202 5.795 9.045 491 1HB ARG 83 HB2 ARG 83 0.819 5.929 9.634 492 2HB ARG 83 HB1 ARG 83 0.766 4.185 9.848 493 1HG ARG 83 HG2 ARG 83 2.382 4.380 11.690 494 2HG ARG 83 HG1 ARG 83 2.367 6.134 11.493 495 1HD ARG 83 HD2 ARG 83 -0.284 4.905 11.770 496 2HD ARG 83 HD1 ARG 83 0.754 4.741 13.186 497 HE ARG 83 HE ARG 83 0.693 7.411 12.156 498 1HH1 ARG 83 HH11 ARG 83 -0.987 5.123 14.186 499 2HH1 ARG 83 HH12 ARG 83 -1.760 6.345 15.138 500 1HH2 ARG 83 HH21 ARG 83 -0.321 9.020 13.409 501 2HH2 ARG 83 HH22 ARG 83 -1.382 8.557 14.698 502 H GLN 84 HN GLN 84 2.018 2.480 8.623 503 HA GLN 84 HA GLN 84 3.782 1.234 10.421 504 1HB GLN 84 HB2 GLN 84 2.301 0.269 7.985 505 2HB GLN 84 HB1 GLN 84 3.376 -0.798 8.881 506 1HG GLN 84 HG2 GLN 84 2.046 -0.661 10.820 507 2HG GLN 84 HG1 GLN 84 1.113 0.685 10.170 508 H LEU 85 HN LEU 85 4.013 1.907 6.938 509 HA LEU 85 HA LEU 85 6.457 0.733 6.359 510 1HB LEU 85 HB2 LEU 85 4.807 2.856 5.234 511 2HB LEU 85 HB1 LEU 85 6.514 3.170 5.000 512 HG LEU 85 HG LEU 85 5.552 0.458 4.281 513 H ASN 86 HN ASN 86 5.779 4.003 7.555 514 HA ASN 86 HA ASN 86 8.422 4.862 7.862 515 1HB ASN 86 HB2 ASN 86 6.134 6.151 8.091 516 2HB ASN 86 HB1 ASN 86 6.293 5.720 9.793 517 H LYS 87 HN LYS 87 6.299 3.004 9.968 518 HA LYS 87 HA LYS 87 7.929 2.987 12.266 519 1HB LYS 87 HB2 LYS 87 5.550 1.677 11.382 520 2HB LYS 87 HB1 LYS 87 6.660 0.440 11.964 521 1HG LYS 87 HG2 LYS 87 6.240 0.968 14.076 522 2HG LYS 87 HG1 LYS 87 6.598 2.671 13.781 523 1HD LYS 87 HD2 LYS 87 4.378 3.162 13.231 524 2HD LYS 87 HD1 LYS 87 3.977 1.465 12.955 525 1HE LYS 87 HE2 LYS 87 2.996 2.208 15.035 526 2HE LYS 87 HE1 LYS 87 4.267 1.032 15.363 527 1HZ LYS 87 HZ1 LYS 87 4.595 2.744 16.898 528 2HZ LYS 87 HZ2 LYS 87 4.343 3.963 15.753 529 3HZ LYS 87 HZ3 LYS 87 5.756 3.035 15.702 530 H LEU 88 HN LEU 88 7.712 0.748 9.511 531 HA LEU 88 HA LEU 88 9.707 -1.027 10.313 532 1HB LEU 88 HB2 LEU 88 9.211 -0.233 7.447 533 2HB LEU 88 HB1 LEU 88 9.805 -1.768 8.044 534 HG LEU 88 HG LEU 88 7.001 -0.692 8.283 535 H GLN 89 HN GLN 89 9.908 1.742 8.119 536 HA GLN 89 HA GLN 89 12.689 1.721 7.756 537 1HB GLN 89 HB2 GLN 89 10.524 3.735 7.402 538 2HB GLN 89 HB1 GLN 89 12.177 4.327 7.436 539 1HG GLN 89 HG2 GLN 89 11.697 3.995 5.180 540 2HG GLN 89 HG1 GLN 89 12.668 2.604 5.637 541 H HIS 90 HN HIS 90 10.697 2.870 10.352 542 HA HIS 90 HA HIS 90 12.680 4.528 11.592 543 1HB HIS 90 HB2 HIS 90 10.008 3.439 12.427 544 2HB HIS 90 HB1 HIS 90 11.038 4.256 13.584 545 HD1 HIS 90 HD1 HIS 90 12.012 6.348 11.251 546 HD2 HIS 90 HD2 HIS 90 8.154 5.568 12.583 547 HE1 HIS 90 HE1 HIS 90 10.676 8.399 10.679 548 HE2 HIS 90 HE2 HIS 90 8.366 7.939 11.573 549 H LYS 91 HN LYS 91 11.147 1.478 12.596 550 HA LYS 91 HA LYS 91 12.731 0.893 14.738 551 1HB LYS 91 HB2 LYS 91 12.087 -1.437 14.453 552 2HB LYS 91 HB1 LYS 91 10.721 -0.379 14.125 553 1HG LYS 91 HG2 LYS 91 11.004 -0.671 11.753 554 2HG LYS 91 HG1 LYS 91 12.472 -1.615 12.011 555 1HD LYS 91 HD2 LYS 91 9.993 -2.533 13.360 556 2HD LYS 91 HD1 LYS 91 10.100 -2.752 11.612 557 1HE LYS 91 HE2 LYS 91 12.535 -3.640 12.368 558 2HE LYS 91 HE1 LYS 91 11.584 -4.075 13.788 559 1HZ LYS 91 HZ1 LYS 91 9.971 -5.000 11.962 560 2HZ LYS 91 HZ2 LYS 91 11.286 -5.916 12.504 561 3HZ LYS 91 HZ3 LYS 91 11.389 -5.074 11.041 562 H SER 92 HN SER 92 13.388 0.248 11.335 563 HA SER 92 HA SER 92 15.769 -1.252 11.806 564 1HB SER 92 HB2 SER 92 14.896 0.187 9.289 565 2HB SER 92 HB1 SER 92 16.129 -1.070 9.398 566 HG SER 92 HG SER 92 14.340 -2.396 10.296 567 H GLU 93 HN GLU 93 17.100 -0.053 13.156 568 HA GLU 93 HA GLU 93 18.074 2.517 12.121 569 1HB GLU 93 HB2 GLU 93 18.615 1.362 14.853 570 2HB GLU 93 HB1 GLU 93 18.810 3.028 14.328 571 1HG GLU 93 HG2 GLU 93 16.450 3.340 14.198 572 2HG GLU 93 HG1 GLU 93 16.156 1.623 14.470 573 H SER 94 HN SER 94 18.877 -0.071 11.035 574 HA SER 94 HA SER 94 21.759 0.080 11.629 575 1HB SER 94 HB2 SER 94 20.392 -2.453 10.734 576 2HB SER 94 HB1 SER 94 21.988 -2.266 11.461 577 HG SER 94 HG SER 94 20.992 -1.743 13.413 578 H ARG 95 HN ARG 95 20.206 1.481 9.598 579 HA ARG 95 HA ARG 95 20.727 0.192 7.081 580 1HB ARG 95 HB2 ARG 95 20.034 2.440 6.146 581 2HB ARG 95 HB1 ARG 95 18.832 1.618 7.131 582 1HG ARG 95 HG2 ARG 95 18.894 3.181 8.759 583 2HG ARG 95 HG1 ARG 95 20.615 3.502 8.539 584 1HD ARG 95 HD2 ARG 95 20.256 5.082 6.946 585 2HD ARG 95 HD1 ARG 95 18.811 4.284 6.326 586 HE ARG 95 HE ARG 95 17.578 5.646 7.665 587 1HH1 ARG 95 HH11 ARG 95 20.792 5.434 9.008 588 2HH1 ARG 95 HH12 ARG 95 20.474 6.572 10.274 589 1HH2 ARG 95 HH21 ARG 95 17.157 7.143 9.329 590 2HH2 ARG 95 HH22 ARG 95 18.410 7.542 10.457 591 H ARG 96 HN ARG 96 22.056 1.194 5.387 592 HA ARG 96 HA ARG 96 24.042 3.113 5.952 593 1HB ARG 96 HB2 ARG 96 26.004 1.472 5.814 594 2HB ARG 96 HB1 ARG 96 25.151 1.582 7.347 595 1HG ARG 96 HG2 ARG 96 23.784 -0.420 6.492 596 2HG ARG 96 HG1 ARG 96 25.080 -0.607 5.309 597 1HD ARG 96 HD2 ARG 96 26.665 -0.527 7.321 598 2HD ARG 96 HD1 ARG 96 25.225 -0.800 8.301 599 HE ARG 96 HE ARG 96 26.582 -2.713 6.639 600 1HH1 ARG 96 HH11 ARG 96 23.549 -1.876 8.147 601 2HH1 ARG 96 HH12 ARG 96 22.962 -3.505 8.160 602 1HH2 ARG 96 HH21 ARG 96 25.812 -4.857 6.654 603 2HH2 ARG 96 HH22 ARG 96 24.247 -5.197 7.313 604 H ALA 97 HN ALA 97 23.415 0.138 4.113 605 HA ALA 97 HA ALA 97 23.798 1.642 1.639 606 1HB ALA 97 HB1 ALA 97 25.473 0.345 0.758 607 2HB ALA 97 HB2 ALA 97 25.100 -1.035 1.791 608 3HB ALA 97 HB3 ALA 97 25.938 0.366 2.459 609 H ASP 98 HN ASP 98 21.768 1.427 0.884 610 HA ASP 98 HA ASP 98 20.599 -1.272 0.800 611 1HB ASP 98 HB2 ASP 98 19.467 0.956 1.829 612 2HB ASP 98 HB1 ASP 98 18.899 1.070 0.166 613 H GLU 99 HN GLU 99 21.461 1.533 -1.111 614 HA GLU 99 HA GLU 99 21.679 1.860 -3.350 615 1HB GLU 99 HB2 GLU 99 22.766 -0.549 -2.916 616 2HB GLU 99 HB1 GLU 99 21.446 -1.037 -3.970 617 1HG GLU 99 HG2 GLU 99 22.788 1.260 -5.050 618 2HG GLU 99 HG1 GLU 99 23.942 -0.027 -4.709 619 H ARG 100 HN ARG 100 20.514 1.839 -5.369 620 HA ARG 100 HA ARG 100 17.888 0.590 -5.383 621 1HB ARG 100 HB2 ARG 100 16.804 2.796 -5.952 622 2HB ARG 100 HB1 ARG 100 17.319 2.621 -4.280 623 1HG ARG 100 HG2 ARG 100 19.519 3.757 -5.405 624 2HG ARG 100 HG1 ARG 100 18.217 4.489 -6.345 625 1HD ARG 100 HD2 ARG 100 17.132 5.235 -4.306 626 2HD ARG 100 HD1 ARG 100 18.367 4.438 -3.333 627 HE ARG 100 HE ARG 100 19.716 6.179 -4.987 628 1HH1 ARG 100 HH11 ARG 100 17.255 6.424 -2.525 629 2HH1 ARG 100 HH12 ARG 100 17.732 8.014 -2.031 630 1HH2 ARG 100 HH21 ARG 100 20.344 8.270 -4.338 631 2HH2 ARG 100 HH22 ARG 100 19.485 9.062 -3.060 632 H LEU 101 HN LEU 101 16.964 0.428 -7.443 633 HA LEU 101 HA LEU 101 18.750 0.178 -9.584 634 1HB LEU 101 HB2 LEU 101 16.470 -0.926 -9.255 635 2HB LEU 101 HB1 LEU 101 15.780 0.557 -9.887 636 HG LEU 101 HG LEU 101 17.390 0.120 -11.905 637 H LYS 102 HN LYS 102 18.915 1.359 -11.550 638 HA LYS 102 HA LYS 102 17.694 3.942 -11.812 639 1HB LYS 102 HB2 LYS 102 20.180 3.750 -10.424 640 2HB LYS 102 HB1 LYS 102 20.478 4.537 -11.966 641 1HG LYS 102 HG2 LYS 102 18.279 5.411 -10.121 642 2HG LYS 102 HG1 LYS 102 19.927 6.030 -9.997 643 1HD LYS 102 HD2 LYS 102 19.056 6.147 -12.727 644 2HD LYS 102 HD1 LYS 102 17.860 6.927 -11.690 645 1HE LYS 102 HE2 LYS 102 19.240 8.629 -11.163 646 2HE LYS 102 HE1 LYS 102 20.659 7.587 -11.082 647 1HZ LYS 102 HZ1 LYS 102 21.165 7.962 -13.228 648 2HZ LYS 102 HZ2 LYS 102 20.254 9.371 -13.009 649 3HZ LYS 102 HZ3 LYS 102 19.550 8.014 -13.732 650 H ASP 103 HN ASP 103 17.589 1.749 -13.449 651 HA ASP 103 HA ASP 103 19.540 1.925 -15.550 652 1HB ASP 103 HB2 ASP 103 17.928 -0.068 -14.762 653 2HB ASP 103 HB1 ASP 103 16.925 0.603 -16.044 654 H SER 104 HN SER 104 16.345 3.216 -14.936 655 HA SER 104 HA SER 104 16.386 4.525 -17.572 656 1HB SER 104 HB2 SER 104 13.967 4.299 -15.787 657 2HB SER 104 HB1 SER 104 14.023 4.627 -17.519 658 HG SER 104 HG SER 104 13.472 2.503 -17.304 659 H PHE 105 HN PHE 105 16.088 6.731 -17.741 660 HA PHE 105 HA PHE 105 16.201 8.234 -15.208 661 1HB PHE 105 HB2 PHE 105 17.419 9.979 -16.740 662 2HB PHE 105 HB1 PHE 105 18.315 8.623 -16.065 663 HD1 PHE 105 HD1 PHE 105 19.933 7.968 -17.552 664 HD2 PHE 105 HD2 PHE 105 16.059 8.935 -19.022 665 HE1 PHE 105 HE1 PHE 105 20.630 7.301 -19.815 666 HE2 PHE 105 HE2 PHE 105 16.748 8.269 -21.288 667 HZ PHE 105 HZ PHE 105 19.036 7.450 -21.686 668 H GLU 106 HN GLU 106 13.746 7.763 -16.016 669 HA GLU 106 HA GLU 106 12.608 9.388 -17.976 670 1HB GLU 106 HB2 GLU 106 11.652 7.496 -16.302 671 2HB GLU 106 HB1 GLU 106 11.013 8.937 -15.523 672 1HG GLU 106 HG2 GLU 106 9.857 9.578 -17.522 673 2HG GLU 106 HG1 GLU 106 10.612 8.266 -18.427 674 H ASN 107 HN ASN 107 12.435 9.976 -14.459 675 HA ASN 107 HA ASN 107 12.805 12.838 -14.977 676 1HB ASN 107 HB2 ASN 107 10.310 11.908 -14.584 677 2HB ASN 107 HB1 ASN 107 10.799 12.133 -12.907 Start of MODEL 20 1 1H MET 1 HT1 MET 1 6.487 -5.532 -10.812 2 2H MET 1 HT2 MET 1 7.839 -5.119 -9.839 3 3H MET 1 HT3 MET 1 6.589 -3.974 -10.104 4 HA MET 1 HA MET 1 6.513 -6.448 -8.528 5 1HB MET 1 HB2 MET 1 5.797 -3.594 -7.832 6 2HB MET 1 HB1 MET 1 5.986 -4.946 -6.723 7 1HG MET 1 HG2 MET 1 8.028 -4.121 -6.390 8 2HG MET 1 HG1 MET 1 8.421 -4.898 -7.922 9 1HE MET 1 HE1 MET 1 9.505 -0.924 -6.954 10 2HE MET 1 HE2 MET 1 10.482 -2.318 -7.415 11 3HE MET 1 HE3 MET 1 9.358 -2.437 -6.061 12 H THR 2 HN THR 2 4.456 -3.663 -9.389 13 HA THR 2 HA THR 2 2.231 -3.468 -9.782 14 HB THR 2 HB THR 2 1.216 -5.030 -11.227 15 HG1 THR 2 HG1 THR 2 2.031 -7.163 -11.440 16 H LEU 3 HN LEU 3 0.897 -3.275 -8.143 17 HA LEU 3 HA LEU 3 0.704 -5.293 -6.111 18 1HB LEU 3 HB2 LEU 3 -0.463 -3.742 -4.833 19 2HB LEU 3 HB1 LEU 3 0.715 -2.806 -5.710 20 HG LEU 3 HG LEU 3 -1.226 -1.506 -5.760 21 H ASN 4 HN ASN 4 -0.748 -6.806 -5.875 22 HA ASN 4 HA ASN 4 -2.847 -7.049 -7.867 23 1HB ASN 4 HB2 ASN 4 -2.074 -8.951 -5.655 24 2HB ASN 4 HB1 ASN 4 -3.130 -9.306 -7.017 25 H ILE 5 HN ILE 5 -5.018 -7.736 -7.195 26 HA ILE 5 HA ILE 5 -5.826 -6.597 -4.609 27 HB ILE 5 HB ILE 5 -7.436 -6.254 -7.139 28 H THR 6 HN THR 6 -7.747 -7.475 -3.700 29 HA THR 6 HA THR 6 -8.995 -9.746 -4.986 30 HB THR 6 HB THR 6 -7.452 -10.080 -2.408 31 HG1 THR 6 HG1 THR 6 -5.948 -10.491 -3.821 32 H SER 7 HN SER 7 -10.738 -8.179 -4.795 33 HA SER 7 HA SER 7 -11.724 -7.570 -2.139 34 1HB SER 7 HB2 SER 7 -13.681 -6.901 -4.055 35 2HB SER 7 HB1 SER 7 -12.574 -5.823 -3.241 36 HG SER 7 HG SER 7 -11.069 -6.241 -4.929 37 H LYS 8 HN LYS 8 -13.267 -8.660 -1.068 38 HA LYS 8 HA LYS 8 -14.036 -11.229 -1.846 39 1HB LYS 8 HB2 LYS 8 -15.171 -11.368 0.160 40 2HB LYS 8 HB1 LYS 8 -14.013 -10.091 0.498 41 1HG LYS 8 HG2 LYS 8 -15.889 -8.478 -0.184 42 2HG LYS 8 HG1 LYS 8 -16.957 -9.871 -0.005 43 1HD LYS 8 HD2 LYS 8 -15.051 -9.145 2.185 44 2HD LYS 8 HD1 LYS 8 -16.578 -8.277 2.015 45 1HE LYS 8 HE2 LYS 8 -17.332 -10.916 1.799 46 2HE LYS 8 HE1 LYS 8 -16.051 -10.966 3.009 47 1HZ LYS 8 HZ1 LYS 8 -18.627 -9.541 3.104 48 2HZ LYS 8 HZ2 LYS 8 -17.327 -9.006 4.043 49 3HZ LYS 8 HZ3 LYS 8 -17.934 -10.570 4.255 50 H GLN 9 HN GLN 9 -15.748 -8.151 -2.165 51 HA GLN 9 HA GLN 9 -17.751 -9.559 -3.800 52 1HB GLN 9 HB2 GLN 9 -19.238 -7.532 -3.063 53 2HB GLN 9 HB1 GLN 9 -19.048 -8.928 -2.013 54 1HG GLN 9 HG2 GLN 9 -17.795 -7.788 -0.489 55 2HG GLN 9 HG1 GLN 9 -17.140 -6.674 -1.691 56 H MET 10 HN MET 10 -17.679 -6.071 -3.388 57 HA MET 10 HA MET 10 -18.003 -5.302 -5.932 58 1HB MET 10 HB2 MET 10 -16.587 -3.250 -5.350 59 2HB MET 10 HB1 MET 10 -17.985 -3.595 -4.344 60 1HG MET 10 HG2 MET 10 -16.324 -4.821 -2.819 61 2HG MET 10 HG1 MET 10 -15.090 -3.949 -3.716 62 1HE MET 10 HE1 MET 10 -14.324 -1.318 -2.124 63 2HE MET 10 HE2 MET 10 -14.089 -3.066 -2.056 64 3HE MET 10 HE3 MET 10 -14.723 -2.207 -0.657 65 H ASP 11 HN ASP 11 -17.044 -6.134 -7.672 66 HA ASP 11 HA ASP 11 -14.489 -7.196 -7.818 67 1HB ASP 11 HB2 ASP 11 -15.979 -5.943 -10.127 68 2HB ASP 11 HB1 ASP 11 -14.762 -7.215 -10.209 69 H ILE 12 HN ILE 12 -12.931 -6.281 -9.673 70 HA ILE 12 HA ILE 12 -12.078 -3.663 -8.672 71 HB ILE 12 HB ILE 12 -10.277 -4.936 -10.587 72 H THR 13 HN THR 13 -11.937 -1.897 -9.918 73 HA THR 13 HA THR 13 -12.301 -2.111 -12.800 74 HB THR 13 HB THR 13 -14.257 -0.975 -12.917 75 HG1 THR 13 HG1 THR 13 -14.814 0.707 -11.459 76 HA PRO 14 HA PRO 14 -9.635 1.345 -13.533 77 1HB PRO 14 HB2 PRO 14 -11.943 3.249 -13.566 78 2HB PRO 14 HB1 PRO 14 -10.574 3.129 -14.679 79 1HG PRO 14 HG2 PRO 14 -12.943 2.145 -15.364 80 2HG PRO 14 HG1 PRO 14 -11.452 1.272 -15.768 81 1HD PRO 14 HD2 PRO 14 -13.495 0.674 -13.693 82 2HD PRO 14 HD1 PRO 14 -12.453 -0.436 -14.607 83 H ALA 15 HN ALA 15 -12.297 2.543 -11.459 84 HA ALA 15 HA ALA 15 -10.921 4.457 -10.044 85 1HB ALA 15 HB1 ALA 15 -12.545 4.000 -8.183 86 2HB ALA 15 HB2 ALA 15 -13.133 2.629 -9.124 87 3HB ALA 15 HB3 ALA 15 -13.278 4.266 -9.765 88 H ILE 16 HN ILE 16 -11.723 1.481 -8.286 89 HA ILE 16 HA ILE 16 -9.731 1.630 -6.406 90 HB ILE 16 HB ILE 16 -9.829 -1.005 -6.533 91 H ARG 17 HN ARG 17 -9.564 -0.386 -9.361 92 HA ARG 17 HA ARG 17 -7.022 -1.330 -9.241 93 1HB ARG 17 HB2 ARG 17 -8.735 -1.580 -11.127 94 2HB ARG 17 HB1 ARG 17 -8.079 -0.084 -11.779 95 1HG ARG 17 HG2 ARG 17 -5.973 -1.059 -12.177 96 2HG ARG 17 HG1 ARG 17 -6.357 -2.471 -11.191 97 1HD ARG 17 HD2 ARG 17 -8.338 -2.637 -12.986 98 2HD ARG 17 HD1 ARG 17 -7.124 -1.825 -13.974 99 HE ARG 17 HE ARG 17 -5.903 -3.765 -14.013 100 1HH1 ARG 17 HH11 ARG 17 -8.343 -4.005 -11.530 101 2HH1 ARG 17 HH12 ARG 17 -8.053 -5.686 -11.231 102 1HH2 ARG 17 HH21 ARG 17 -5.519 -5.976 -13.621 103 2HH2 ARG 17 HH22 ARG 17 -6.449 -6.805 -12.418 104 H GLU 18 HN GLU 18 -7.841 1.769 -10.820 105 HA GLU 18 HA GLU 18 -5.209 2.686 -11.116 106 1HB GLU 18 HB2 GLU 18 -7.095 3.653 -12.344 107 2HB GLU 18 HB1 GLU 18 -7.777 4.269 -10.844 108 1HG GLU 18 HG2 GLU 18 -6.739 6.100 -11.875 109 2HG GLU 18 HG1 GLU 18 -5.650 5.606 -10.580 110 H HIS 19 HN HIS 19 -7.539 3.075 -8.491 111 HA HIS 19 HA HIS 19 -6.084 4.928 -6.953 112 1HB HIS 19 HB2 HIS 19 -8.542 4.061 -6.752 113 2HB HIS 19 HB1 HIS 19 -7.835 2.805 -5.747 114 HD1 HIS 19 HD1 HIS 19 -6.783 6.439 -5.664 115 HD2 HIS 19 HD2 HIS 19 -8.832 3.629 -3.421 116 HE1 HIS 19 HE1 HIS 19 -7.217 7.552 -3.447 117 HE2 HIS 19 HE2 HIS 19 -8.562 5.868 -2.138 118 H LEU 20 HN LEU 20 -6.595 1.504 -6.208 119 HA LEU 20 HA LEU 20 -4.655 1.036 -4.363 120 1HB LEU 20 HB2 LEU 20 -5.195 -0.885 -6.610 121 2HB LEU 20 HB1 LEU 20 -4.778 -1.252 -4.945 122 HG LEU 20 HG LEU 20 -7.382 -0.009 -5.835 123 H GLU 21 HN GLU 21 -4.243 0.857 -7.893 124 HA GLU 21 HA GLU 21 -1.499 0.239 -7.870 125 1HB GLU 21 HB2 GLU 21 -3.172 1.647 -9.957 126 2HB GLU 21 HB1 GLU 21 -1.523 1.094 -10.219 127 1HG GLU 21 HG2 GLU 21 -2.152 -1.174 -10.017 128 2HG GLU 21 HG1 GLU 21 -3.739 -0.753 -9.387 129 H GLU 22 HN GLU 22 -3.148 3.362 -8.345 130 HA GLU 22 HA GLU 22 -0.896 4.982 -8.488 131 1HB GLU 22 HB2 GLU 22 -3.187 5.779 -8.944 132 2HB GLU 22 HB1 GLU 22 -3.565 5.658 -7.230 133 1HG GLU 22 HG2 GLU 22 -3.131 7.939 -7.731 134 2HG GLU 22 HG1 GLU 22 -1.776 7.326 -6.783 135 H ARG 23 HN ARG 23 -2.722 3.908 -5.647 136 HA ARG 23 HA ARG 23 -1.297 5.298 -3.690 137 1HB ARG 23 HB2 ARG 23 -2.762 2.667 -3.612 138 2HB ARG 23 HB1 ARG 23 -2.032 3.384 -2.183 139 1HG ARG 23 HG2 ARG 23 -4.290 4.457 -3.844 140 2HG ARG 23 HG1 ARG 23 -4.306 3.980 -2.148 141 1HD ARG 23 HD2 ARG 23 -2.667 5.833 -1.715 142 2HD ARG 23 HD1 ARG 23 -2.950 6.369 -3.370 143 HE ARG 23 HE ARG 23 -5.349 6.075 -1.811 144 1HH1 ARG 23 HH11 ARG 23 -2.749 8.229 -2.692 145 2HH1 ARG 23 HH12 ARG 23 -3.652 9.664 -2.343 146 1HH2 ARG 23 HH21 ARG 23 -6.539 7.963 -1.352 147 2HH2 ARG 23 HH22 ARG 23 -5.803 9.514 -1.581 148 H LEU 24 HN LEU 24 -0.797 2.035 -5.019 149 HA LEU 24 HA LEU 24 1.455 1.361 -3.500 150 1HB LEU 24 HB2 LEU 24 0.033 -0.064 -5.150 151 2HB LEU 24 HB1 LEU 24 1.139 0.530 -6.371 152 HG LEU 24 HG LEU 24 1.959 -1.583 -5.759 153 H ALA 25 HN ALA 25 1.193 2.886 -6.697 154 HA ALA 25 HA ALA 25 3.915 3.239 -7.206 155 1HB ALA 25 HB1 ALA 25 2.008 5.356 -8.065 156 2HB ALA 25 HB2 ALA 25 1.751 3.713 -8.654 157 3HB ALA 25 HB3 ALA 25 3.276 4.539 -8.978 158 H LYS 26 HN LYS 26 1.667 5.037 -5.224 159 HA LYS 26 HA LYS 26 3.373 7.286 -4.782 160 1HB LYS 26 HB2 LYS 26 0.808 7.114 -4.470 161 2HB LYS 26 HB1 LYS 26 1.191 6.404 -2.907 162 1HG LYS 26 HG2 LYS 26 1.274 8.461 -2.094 163 2HG LYS 26 HG1 LYS 26 2.751 8.701 -3.030 164 1HD LYS 26 HD2 LYS 26 1.608 9.740 -4.787 165 2HD LYS 26 HD1 LYS 26 0.044 9.115 -4.257 166 1HE LYS 26 HE2 LYS 26 1.688 11.102 -2.696 167 2HE LYS 26 HE1 LYS 26 0.401 11.551 -3.815 168 1HZ LYS 26 HZ1 LYS 26 -1.145 10.241 -2.461 169 2HZ LYS 26 HZ2 LYS 26 -0.434 11.493 -1.573 170 3HZ LYS 26 HZ3 LYS 26 0.099 9.901 -1.364 171 H LEU 27 HN LEU 27 2.712 4.249 -3.114 172 HA LEU 27 HA LEU 27 4.421 4.857 -0.889 173 1HB LEU 27 HB2 LEU 27 2.743 2.584 -1.744 174 2HB LEU 27 HB1 LEU 27 4.158 2.147 -0.805 175 HG LEU 27 HG LEU 27 1.898 3.957 0.039 176 H GLY 28 HN GLY 28 5.013 4.005 -4.076 177 1HA GLY 28 HA2 GLY 28 7.151 2.204 -3.873 178 2HA GLY 28 HA1 GLY 28 6.900 3.332 -5.192 179 H LYS 29 HN LYS 29 7.087 5.722 -3.668 180 HA LYS 29 HA LYS 29 9.938 5.975 -3.585 181 1HB LYS 29 HB2 LYS 29 9.577 8.296 -3.215 182 2HB LYS 29 HB1 LYS 29 8.379 7.765 -4.383 183 1HG LYS 29 HG2 LYS 29 6.695 8.399 -3.072 184 2HG LYS 29 HG1 LYS 29 7.388 7.599 -1.662 185 1HD LYS 29 HD2 LYS 29 9.032 9.794 -2.071 186 2HD LYS 29 HD1 LYS 29 7.409 10.402 -2.404 187 1HE LYS 29 HE2 LYS 29 6.636 9.750 -0.254 188 2HE LYS 29 HE1 LYS 29 8.098 8.821 0.063 189 1HZ LYS 29 HZ1 LYS 29 7.993 11.021 1.190 190 2HZ LYS 29 HZ2 LYS 29 8.083 11.760 -0.329 191 3HZ LYS 29 HZ3 LYS 29 9.364 10.805 0.222 192 H TRP 30 HN TRP 30 7.752 4.877 -1.321 193 HA TRP 30 HA TRP 30 8.931 6.050 1.009 194 1HB TRP 30 HB2 TRP 30 6.739 4.165 0.439 195 2HB TRP 30 HB1 TRP 30 7.545 3.949 1.985 196 HD1 TRP 30 HD1 TRP 30 5.311 6.401 0.098 197 HE1 TRP 30 HE1 TRP 30 4.399 8.133 1.772 198 HE3 TRP 30 HE3 TRP 30 8.092 5.117 4.172 199 HZ2 TRP 30 HZ2 TRP 30 4.813 8.855 4.477 200 HZ3 TRP 30 HZ3 TRP 30 7.786 6.371 6.262 201 HH2 TRP 30 HH2 TRP 30 6.181 8.206 6.411 202 H GLN 31 HN GLN 31 11.126 5.390 0.175 203 HA GLN 31 HA GLN 31 12.769 3.688 -0.139 204 1HB GLN 31 HB2 GLN 31 13.675 3.476 2.329 205 2HB GLN 31 HB1 GLN 31 13.758 4.992 1.445 206 1HG GLN 31 HG2 GLN 31 11.431 4.371 3.219 207 2HG GLN 31 HG1 GLN 31 12.936 5.016 3.876 208 H THR 32 HN THR 32 10.970 1.960 -0.641 209 HA THR 32 HA THR 32 11.668 -0.340 0.935 210 HB THR 32 HB THR 32 8.934 0.877 0.987 211 HG1 THR 32 HG1 THR 32 10.475 -0.522 2.909 212 H GLN 33 HN GLN 33 10.818 -2.332 -0.012 213 HA GLN 33 HA GLN 33 10.185 -2.098 -2.869 214 1HB GLN 33 HB2 GLN 33 11.437 -4.390 -2.978 215 2HB GLN 33 HB1 GLN 33 12.353 -2.892 -3.032 216 1HG GLN 33 HG2 GLN 33 11.866 -4.186 -0.405 217 2HG GLN 33 HG1 GLN 33 13.081 -4.870 -1.480 218 H LEU 34 HN LEU 34 8.076 -2.419 -2.587 219 HA LEU 34 HA LEU 34 6.794 -4.006 -0.798 220 1HB LEU 34 HB2 LEU 34 5.739 -3.721 -3.589 221 2HB LEU 34 HB1 LEU 34 4.846 -3.791 -2.085 222 HG LEU 34 HG LEU 34 4.642 -1.568 -2.519 223 H ILE 35 HN ILE 35 7.584 -5.990 -0.414 224 HA ILE 35 HA ILE 35 8.203 -7.900 -2.424 225 HB ILE 35 HB ILE 35 7.707 -8.163 0.543 226 H SER 36 HN SER 36 6.402 -8.002 -3.778 227 HA SER 36 HA SER 36 4.372 -8.715 -4.542 228 1HB SER 36 HB2 SER 36 4.997 -10.927 -4.041 229 2HB SER 36 HB1 SER 36 4.965 -10.642 -2.302 230 HG SER 36 HG SER 36 2.951 -11.403 -3.985 231 HA PRO 37 HA PRO 37 1.828 -6.365 -1.623 232 1HB PRO 37 HB2 PRO 37 1.151 -4.424 -3.394 233 2HB PRO 37 HB1 PRO 37 2.663 -4.422 -2.487 234 1HG PRO 37 HG2 PRO 37 2.234 -4.876 -5.333 235 2HG PRO 37 HG1 PRO 37 3.732 -4.532 -4.478 236 1HD PRO 37 HD2 PRO 37 2.673 -7.073 -5.401 237 2HD PRO 37 HD1 PRO 37 4.280 -6.696 -4.762 238 H HIS 38 HN HIS 38 -0.299 -6.515 -1.270 239 HA HIS 38 HA HIS 38 -2.099 -7.179 -3.500 240 1HB HIS 38 HB2 HIS 38 -1.501 -8.773 -1.170 241 2HB HIS 38 HB1 HIS 38 -3.199 -8.353 -1.207 242 HD1 HIS 38 HD1 HIS 38 -1.047 -10.916 -2.249 243 HD2 HIS 38 HD2 HIS 38 -4.239 -8.942 -4.023 244 HE1 HIS 38 HE1 HIS 38 -1.899 -12.478 -4.029 245 HE2 HIS 38 HE2 HIS 38 -3.756 -11.212 -5.167 246 H PHE 39 HN PHE 39 -4.442 -6.968 -2.699 247 HA PHE 39 HA PHE 39 -4.841 -4.984 -0.657 248 1HB PHE 39 HB2 PHE 39 -4.734 -4.226 -3.443 249 2HB PHE 39 HB1 PHE 39 -6.303 -3.880 -2.731 250 HD1 PHE 39 HD1 PHE 39 -6.632 -2.089 -1.278 251 HD2 PHE 39 HD2 PHE 39 -2.681 -3.275 -2.324 252 HE1 PHE 39 HE1 PHE 39 -5.745 -0.061 -0.207 253 HE2 PHE 39 HE2 PHE 39 -1.786 -1.246 -1.253 254 HZ PHE 39 HZ PHE 39 -3.322 0.362 -0.191 255 H VAL 40 HN VAL 40 -6.305 -6.054 0.498 256 HA VAL 40 HA VAL 40 -8.494 -7.416 -0.866 257 HB VAL 40 HB VAL 40 -7.619 -7.447 2.028 258 H LEU 41 HN LEU 41 -9.988 -5.908 -1.412 259 HA LEU 41 HA LEU 41 -10.893 -4.052 0.685 260 1HB LEU 41 HB2 LEU 41 -11.652 -2.581 -1.052 261 2HB LEU 41 HB1 LEU 41 -9.968 -2.975 -1.320 262 HG LEU 41 HG LEU 41 -12.164 -4.413 -2.764 263 H ASN 42 HN ASN 42 -13.076 -3.716 1.046 264 HA ASN 42 HA ASN 42 -15.009 -5.260 -0.439 265 1HB ASN 42 HB2 ASN 42 -14.856 -5.685 2.541 266 2HB ASN 42 HB1 ASN 42 -15.881 -6.522 1.383 267 H LYS 43 HN LYS 43 -17.244 -4.877 0.384 268 HA LYS 43 HA LYS 43 -17.509 -2.155 1.513 269 1HB LYS 43 HB2 LYS 43 -18.289 -1.629 -0.552 270 2HB LYS 43 HB1 LYS 43 -18.546 -3.306 -1.000 271 1HG LYS 43 HG2 LYS 43 -20.651 -3.297 0.312 272 2HG LYS 43 HG1 LYS 43 -20.402 -1.586 0.652 273 1HD LYS 43 HD2 LYS 43 -20.130 -1.746 -2.099 274 2HD LYS 43 HD1 LYS 43 -21.434 -2.881 -1.743 275 1HE LYS 43 HE2 LYS 43 -22.843 -1.182 -1.521 276 2HE LYS 43 HE1 LYS 43 -21.877 -0.558 -0.185 277 1HZ LYS 43 HZ1 LYS 43 -21.623 1.196 -1.531 278 2HZ LYS 43 HZ2 LYS 43 -22.027 0.336 -2.929 279 3HZ LYS 43 HZ3 LYS 43 -20.456 0.249 -2.308 280 H VAL 44 HN VAL 44 -19.791 -1.789 2.311 281 HA VAL 44 HA VAL 44 -21.413 -4.003 2.989 282 HB VAL 44 HB VAL 44 -21.179 -3.528 5.496 283 HA PRO 45 HA PRO 45 -24.613 -1.026 3.334 284 1HB PRO 45 HB2 PRO 45 -25.236 -2.162 6.022 285 2HB PRO 45 HB1 PRO 45 -26.308 -1.877 4.645 286 1HG PRO 45 HG2 PRO 45 -25.471 -4.336 5.218 287 2HG PRO 45 HG1 PRO 45 -25.614 -3.792 3.536 288 1HD PRO 45 HD2 PRO 45 -23.174 -4.167 5.209 289 2HD PRO 45 HD1 PRO 45 -23.401 -4.421 3.467 290 H ASN 46 HN ASN 46 -22.866 -1.532 6.381 291 HA ASN 46 HA ASN 46 -23.395 1.146 7.291 292 1HB ASN 46 HB2 ASN 46 -21.662 -1.064 8.398 293 2HB ASN 46 HB1 ASN 46 -21.877 0.497 9.183 294 H GLY 47 HN GLY 47 -21.431 0.240 4.887 295 1HA GLY 47 HA2 GLY 47 -20.048 2.339 4.302 296 2HA GLY 47 HA1 GLY 47 -19.153 1.853 5.733 297 H PHE 48 HN PHE 48 -17.397 1.778 4.207 298 HA PHE 48 HA PHE 48 -17.319 -0.675 2.605 299 1HB PHE 48 HB2 PHE 48 -15.881 1.931 2.358 300 2HB PHE 48 HB1 PHE 48 -15.225 0.500 1.631 301 HD1 PHE 48 HD1 PHE 48 -17.956 2.935 1.525 302 HD2 PHE 48 HD2 PHE 48 -16.199 -0.473 -0.303 303 HE1 PHE 48 HE1 PHE 48 -19.321 3.314 -0.488 304 HE2 PHE 48 HE2 PHE 48 -17.558 -0.110 -2.315 305 HZ PHE 48 HZ PHE 48 -19.113 1.784 -2.413 306 H SER 49 HN SER 49 -16.091 -2.295 3.346 307 HA SER 49 HA SER 49 -14.118 -1.684 5.425 308 1HB SER 49 HB2 SER 49 -14.350 -4.488 5.060 309 2HB SER 49 HB1 SER 49 -14.833 -3.526 6.448 310 HG SER 49 HG SER 49 -16.831 -3.130 5.267 311 H VAL 50 HN VAL 50 -12.126 -1.612 4.860 312 HA VAL 50 HA VAL 50 -11.231 -3.125 2.496 313 HB VAL 50 HB VAL 50 -11.550 -0.726 1.990 314 H GLU 51 HN GLU 51 -9.085 -3.853 2.505 315 HA GLU 51 HA GLU 51 -7.412 -3.376 4.828 316 1HB GLU 51 HB2 GLU 51 -8.624 -5.192 5.722 317 2HB GLU 51 HB1 GLU 51 -8.638 -6.044 4.193 318 1HG GLU 51 HG2 GLU 51 -6.759 -7.111 4.673 319 2HG GLU 51 HG1 GLU 51 -5.938 -5.611 5.099 320 H ALA 52 HN ALA 52 -5.312 -3.423 4.322 321 HA ALA 52 HA ALA 52 -4.579 -4.450 1.658 322 1HB ALA 52 HB1 ALA 52 -4.445 -2.021 1.780 323 2HB ALA 52 HB2 ALA 52 -2.842 -2.730 1.591 324 3HB ALA 52 HB3 ALA 52 -3.365 -2.140 3.168 325 H SER 53 HN SER 53 -2.594 -5.503 1.415 326 HA SER 53 HA SER 53 -1.035 -6.075 3.806 327 1HB SER 53 HB2 SER 53 -1.743 -8.433 2.127 328 2HB SER 53 HB1 SER 53 -1.359 -8.349 3.846 329 HG SER 53 HG SER 53 -3.659 -8.722 3.113 330 H ILE 54 HN ILE 54 0.865 -5.314 3.135 331 HA ILE 54 HA ILE 54 1.919 -6.290 0.560 332 HB ILE 54 HB ILE 54 2.883 -3.752 1.855 333 H GLY 55 HN GLY 55 4.458 -6.133 0.601 334 1HA GLY 55 HA2 GLY 55 5.417 -7.039 3.222 335 2HA GLY 55 HA1 GLY 55 5.821 -7.902 1.763 336 H THR 56 HN THR 56 7.521 -6.643 3.715 337 HA THR 56 HA THR 56 9.116 -5.088 1.854 338 HB THR 56 HB THR 56 9.217 -3.151 2.982 339 HG1 THR 56 HG1 THR 56 8.686 -3.971 5.552 340 HA PRO 57 HA PRO 57 12.363 -7.674 3.457 341 1HB PRO 57 HB2 PRO 57 14.089 -5.287 3.104 342 2HB PRO 57 HB1 PRO 57 14.290 -6.923 2.472 343 1HG PRO 57 HG2 PRO 57 13.518 -4.875 0.915 344 2HG PRO 57 HG1 PRO 57 12.950 -6.529 0.650 345 1HD PRO 57 HD2 PRO 57 11.517 -4.186 1.776 346 2HD PRO 57 HD1 PRO 57 10.897 -5.580 0.868 347 H LEU 58 HN LEU 58 11.479 -4.550 4.679 348 HA LEU 58 HA LEU 58 13.067 -4.939 7.104 349 1HB LEU 58 HB2 LEU 58 11.666 -2.582 5.893 350 2HB LEU 58 HB1 LEU 58 12.117 -2.575 7.587 351 HG LEU 58 HG LEU 58 14.469 -3.316 6.419 352 H GLY 59 HN GLY 59 9.941 -5.491 5.957 353 1HA GLY 59 HA2 GLY 59 8.870 -6.743 8.052 354 2HA GLY 59 HA1 GLY 59 8.616 -5.072 8.510 355 H ASN 60 HN ASN 60 6.952 -7.524 7.491 356 HA ASN 60 HA ASN 60 5.696 -6.808 5.106 357 1HB ASN 60 HB2 ASN 60 4.401 -8.230 7.436 358 2HB ASN 60 HB1 ASN 60 3.960 -8.348 5.737 359 H LEU 61 HN LEU 61 3.523 -5.950 4.786 360 HA LEU 61 HA LEU 61 2.798 -3.932 6.811 361 1HB LEU 61 HB2 LEU 61 2.703 -3.731 3.804 362 2HB LEU 61 HB1 LEU 61 1.943 -2.579 4.877 363 HG LEU 61 HG LEU 61 4.789 -2.983 5.436 364 H LEU 62 HN LEU 62 0.705 -3.762 7.389 365 HA LEU 62 HA LEU 62 -1.363 -5.037 5.794 366 1HB LEU 62 HB2 LEU 62 -1.179 -5.566 8.751 367 2HB LEU 62 HB1 LEU 62 -2.332 -6.237 7.624 368 HG LEU 62 HG LEU 62 -0.781 -7.952 8.189 369 H ALA 63 HN ALA 63 -3.440 -4.225 6.232 370 HA ALA 63 HA ALA 63 -3.864 -2.224 8.237 371 1HB ALA 63 HB1 ALA 63 -3.312 -1.430 5.425 372 2HB ALA 63 HB2 ALA 63 -2.892 -0.618 6.934 373 3HB ALA 63 HB3 ALA 63 -4.544 -0.544 6.322 374 H SER 64 HN SER 64 -6.071 -1.454 8.276 375 HA SER 64 HA SER 64 -8.004 -2.517 6.463 376 1HB SER 64 HB2 SER 64 -9.131 -3.716 8.591 377 2HB SER 64 HB1 SER 64 -8.074 -4.565 7.462 378 HG SER 64 HG SER 64 -7.661 -3.883 10.090 379 H ALA 65 HN ALA 65 -9.790 -1.276 6.486 380 HA ALA 65 HA ALA 65 -10.563 0.134 8.907 381 1HB ALA 65 HB1 ALA 65 -9.475 1.498 6.482 382 2HB ALA 65 HB2 ALA 65 -9.148 1.811 8.186 383 3HB ALA 65 HB3 ALA 65 -10.689 2.297 7.481 384 H THR 66 HN THR 66 -12.683 0.834 8.928 385 HA THR 66 HA THR 66 -14.326 0.094 6.596 386 HB THR 66 HB THR 66 -15.031 -0.233 9.520 387 HG1 THR 66 HG1 THR 66 -13.991 -2.027 9.200 388 H SER 67 HN SER 67 -15.227 1.877 5.739 389 HA SER 67 HA SER 67 -16.507 3.798 7.487 390 1HB SER 67 HB2 SER 67 -13.902 4.296 6.339 391 2HB SER 67 HB1 SER 67 -15.077 5.457 5.738 392 HG SER 67 HG SER 67 -15.669 5.701 8.044 393 H ASP 68 HN ASP 68 -17.875 5.298 6.351 394 HA ASP 68 HA ASP 68 -19.147 4.105 4.093 395 1HB ASP 68 HB2 ASP 68 -20.555 6.205 4.174 396 2HB ASP 68 HB1 ASP 68 -20.547 5.246 5.650 397 H ASP 69 HN ASP 69 -16.374 5.883 4.316 398 HA ASP 69 HA ASP 69 -16.771 7.120 1.681 399 1HB ASP 69 HB2 ASP 69 -15.150 7.894 4.071 400 2HB ASP 69 HB1 ASP 69 -14.611 8.393 2.468 401 H MET 70 HN MET 70 -16.229 5.443 0.389 402 HA MET 70 HA MET 70 -14.454 3.463 0.498 403 1HB MET 70 HB2 MET 70 -15.714 3.529 -1.424 404 2HB MET 70 HB1 MET 70 -15.385 5.224 -1.713 405 1HG MET 70 HG2 MET 70 -13.802 4.712 -3.160 406 2HG MET 70 HG1 MET 70 -12.954 3.744 -1.958 407 1HE MET 70 HE1 MET 70 -13.466 1.255 -1.461 408 2HE MET 70 HE2 MET 70 -12.230 1.518 -2.701 409 3HE MET 70 HE3 MET 70 -13.438 0.248 -2.912 410 H TYR 71 HN TYR 71 -13.475 6.376 -1.259 411 HA TYR 71 HA TYR 71 -10.758 5.698 -1.198 412 1HB TYR 71 HB2 TYR 71 -12.294 8.092 -2.035 413 2HB TYR 71 HB1 TYR 71 -10.556 8.277 -1.786 414 HD1 TYR 71 HD1 TYR 71 -11.597 4.976 -2.726 415 HD2 TYR 71 HD2 TYR 71 -10.506 8.777 -4.297 416 HE1 TYR 71 HE1 TYR 71 -11.152 3.926 -4.880 417 HE2 TYR 71 HE2 TYR 71 -10.072 7.740 -6.486 418 HH TYR 71 HH TYR 71 -11.067 5.403 -7.650 419 H LYS 72 HN LYS 72 -12.690 7.180 1.204 420 HA LYS 72 HA LYS 72 -10.475 8.425 2.569 421 1HB LYS 72 HB2 LYS 72 -12.827 9.194 2.820 422 2HB LYS 72 HB1 LYS 72 -13.137 7.698 3.668 423 1HG LYS 72 HG2 LYS 72 -12.790 9.123 5.424 424 2HG LYS 72 HG1 LYS 72 -11.170 8.464 5.186 425 1HD LYS 72 HD2 LYS 72 -11.143 10.584 3.482 426 2HD LYS 72 HD1 LYS 72 -12.183 11.189 4.772 427 1HE LYS 72 HE2 LYS 72 -9.744 9.807 5.664 428 2HE LYS 72 HE1 LYS 72 -9.477 11.319 4.798 429 1HZ LYS 72 HZ1 LYS 72 -11.413 12.044 6.467 430 2HZ LYS 72 HZ2 LYS 72 -9.769 12.185 6.838 431 3HZ LYS 72 HZ3 LYS 72 -10.654 10.863 7.412 432 H ALA 73 HN ALA 73 -12.308 5.430 2.646 433 HA ALA 73 HA ALA 73 -11.158 4.282 4.956 434 1HB ALA 73 HB1 ALA 73 -12.270 2.352 4.370 435 2HB ALA 73 HB2 ALA 73 -11.922 2.546 2.653 436 3HB ALA 73 HB3 ALA 73 -13.185 3.513 3.411 437 H ILE 74 HN ILE 74 -10.417 4.193 1.520 438 HA ILE 74 HA ILE 74 -8.022 2.669 1.703 439 HB ILE 74 HB ILE 74 -9.247 4.476 -0.362 440 H ASN 75 HN ASN 75 -8.930 6.020 1.889 441 HA ASN 75 HA ASN 75 -6.454 7.289 1.931 442 1HB ASN 75 HB2 ASN 75 -8.995 8.082 1.980 443 2HB ASN 75 HB1 ASN 75 -8.692 8.231 3.700 444 H GLU 76 HN GLU 76 -8.352 5.669 4.386 445 HA GLU 76 HA GLU 76 -6.629 6.280 6.584 446 1HB GLU 76 HB2 GLU 76 -9.180 5.143 6.231 447 2HB GLU 76 HB1 GLU 76 -8.200 3.883 6.970 448 1HG GLU 76 HG2 GLU 76 -7.640 5.325 8.811 449 2HG GLU 76 HG1 GLU 76 -8.473 6.678 8.048 450 H VAL 77 HN VAL 77 -7.263 3.269 4.745 451 HA VAL 77 HA VAL 77 -5.426 1.584 5.861 452 HB VAL 77 HB VAL 77 -5.837 1.765 2.881 453 H GLU 78 HN GLU 78 -4.832 3.708 3.062 454 HA GLU 78 HA GLU 78 -2.140 3.184 2.763 455 1HB GLU 78 HB2 GLU 78 -3.793 4.708 1.387 456 2HB GLU 78 HB1 GLU 78 -3.132 5.985 2.398 457 1HG GLU 78 HG2 GLU 78 -1.894 5.963 0.381 458 2HG GLU 78 HG1 GLU 78 -0.855 5.298 1.640 459 H GLU 79 HN GLU 79 -3.793 5.203 5.065 460 HA GLU 79 HA GLU 79 -1.498 6.560 6.051 461 1HB GLU 79 HB2 GLU 79 -4.198 6.833 6.412 462 2HB GLU 79 HB1 GLU 79 -3.710 6.122 7.944 463 1HG GLU 79 HG2 GLU 79 -2.361 7.923 8.499 464 2HG GLU 79 HG1 GLU 79 -2.247 8.476 6.828 465 H LYS 80 HN LYS 80 -3.336 3.715 7.158 466 HA LYS 80 HA LYS 80 -1.641 3.157 9.360 467 1HB LYS 80 HB2 LYS 80 -3.965 1.989 8.153 468 2HB LYS 80 HB1 LYS 80 -2.775 0.725 8.425 469 1HG LYS 80 HG2 LYS 80 -2.813 2.282 10.761 470 2HG LYS 80 HG1 LYS 80 -4.497 2.034 10.298 471 1HD LYS 80 HD2 LYS 80 -3.380 -0.452 9.917 472 2HD LYS 80 HD1 LYS 80 -2.544 0.140 11.353 473 1HE LYS 80 HE2 LYS 80 -5.160 0.835 11.835 474 2HE LYS 80 HE1 LYS 80 -5.313 -0.715 11.009 475 1HZ LYS 80 HZ1 LYS 80 -5.141 -1.009 13.395 476 2HZ LYS 80 HZ2 LYS 80 -3.660 -0.193 13.421 477 3HZ LYS 80 HZ3 LYS 80 -3.792 -1.680 12.625 478 H LEU 81 HN LEU 81 -1.721 2.025 6.012 479 HA LEU 81 HA LEU 81 0.383 0.164 6.205 480 1HB LEU 81 HB2 LEU 81 -1.284 1.258 4.153 481 2HB LEU 81 HB1 LEU 81 0.378 1.349 3.606 482 HG LEU 81 HG LEU 81 -1.110 -0.748 3.081 483 H GLU 82 HN GLU 82 0.334 3.621 5.358 484 HA GLU 82 HA GLU 82 3.116 3.835 4.864 485 1HB GLU 82 HB2 GLU 82 1.275 5.483 4.242 486 2HB GLU 82 HB1 GLU 82 1.353 6.048 5.901 487 1HG GLU 82 HG2 GLU 82 3.353 7.068 5.611 488 2HG GLU 82 HG1 GLU 82 3.890 5.917 4.389 489 H ARG 83 HN ARG 83 1.142 4.628 7.721 490 HA ARG 83 HA ARG 83 3.173 5.427 9.435 491 1HB ARG 83 HB2 ARG 83 0.461 4.968 9.688 492 2HB ARG 83 HB1 ARG 83 1.156 3.751 10.749 493 1HG ARG 83 HG2 ARG 83 2.106 6.569 10.942 494 2HG ARG 83 HG1 ARG 83 0.557 6.120 11.656 495 1HD ARG 83 HD2 ARG 83 2.368 4.123 12.428 496 2HD ARG 83 HD1 ARG 83 3.224 5.651 12.627 497 HE ARG 83 HE ARG 83 1.804 6.197 14.348 498 1HH1 ARG 83 HH11 ARG 83 0.534 3.427 12.646 499 2HH1 ARG 83 HH12 ARG 83 -0.685 3.101 13.832 500 1HH2 ARG 83 HH21 ARG 83 0.203 5.770 15.907 501 2HH2 ARG 83 HH22 ARG 83 -0.874 4.432 15.682 502 H GLN 84 HN GLN 84 1.964 2.182 8.719 503 HA GLN 84 HA GLN 84 3.647 0.783 10.503 504 1HB GLN 84 HB2 GLN 84 1.796 0.133 8.360 505 2HB GLN 84 HB1 GLN 84 3.218 -0.900 8.311 506 1HG GLN 84 HG2 GLN 84 1.930 -2.134 9.688 507 2HG GLN 84 HG1 GLN 84 2.723 -1.111 10.883 508 H LEU 85 HN LEU 85 4.015 1.934 7.201 509 HA LEU 85 HA LEU 85 6.440 0.640 6.582 510 1HB LEU 85 HB2 LEU 85 4.817 2.800 5.482 511 2HB LEU 85 HB1 LEU 85 6.530 3.095 5.271 512 HG LEU 85 HG LEU 85 5.580 0.402 4.502 513 H ASN 86 HN ASN 86 5.727 3.799 8.007 514 HA ASN 86 HA ASN 86 8.411 4.618 8.313 515 1HB ASN 86 HB2 ASN 86 6.178 5.975 8.541 516 2HB ASN 86 HB1 ASN 86 6.256 5.464 10.225 517 H LYS 87 HN LYS 87 6.135 2.983 10.478 518 HA LYS 87 HA LYS 87 7.806 2.811 12.722 519 1HB LYS 87 HB2 LYS 87 5.252 1.823 11.943 520 2HB LYS 87 HB1 LYS 87 6.185 0.460 12.550 521 1HG LYS 87 HG2 LYS 87 6.409 2.827 14.231 522 2HG LYS 87 HG1 LYS 87 4.751 2.246 14.066 523 1HD LYS 87 HD2 LYS 87 5.557 -0.030 14.682 524 2HD LYS 87 HD1 LYS 87 7.149 0.666 14.991 525 1HE LYS 87 HE2 LYS 87 6.441 0.998 17.081 526 2HE LYS 87 HE1 LYS 87 5.453 2.301 16.422 527 1HZ LYS 87 HZ1 LYS 87 4.322 0.518 17.838 528 2HZ LYS 87 HZ2 LYS 87 4.455 -0.476 16.477 529 3HZ LYS 87 HZ3 LYS 87 3.574 0.965 16.387 530 H LEU 88 HN LEU 88 7.260 0.422 10.097 531 HA LEU 88 HA LEU 88 9.091 -1.434 11.147 532 1HB LEU 88 HB2 LEU 88 8.887 -2.633 9.151 533 2HB LEU 88 HB1 LEU 88 7.334 -1.872 9.391 534 HG LEU 88 HG LEU 88 8.364 -0.057 7.765 535 H GLN 89 HN GLN 89 9.448 0.945 8.555 536 HA GLN 89 HA GLN 89 12.167 0.542 8.031 537 1HB GLN 89 HB2 GLN 89 10.388 2.959 7.747 538 2HB GLN 89 HB1 GLN 89 12.088 3.013 7.304 539 1HG GLN 89 HG2 GLN 89 11.755 1.286 5.655 540 2HG GLN 89 HG1 GLN 89 10.076 1.096 6.150 541 H HIS 90 HN HIS 90 10.515 2.253 10.563 542 HA HIS 90 HA HIS 90 12.820 3.652 11.567 543 1HB HIS 90 HB2 HIS 90 10.003 3.211 12.487 544 2HB HIS 90 HB1 HIS 90 11.185 3.828 13.622 545 HD1 HIS 90 HD1 HIS 90 10.137 6.142 13.820 546 HD2 HIS 90 HD2 HIS 90 11.147 5.120 9.919 547 HE1 HIS 90 HE1 HIS 90 9.926 8.266 12.491 548 HE2 HIS 90 HE2 HIS 90 10.473 7.608 10.122 549 H LYS 91 HN LYS 91 11.015 0.742 12.362 550 HA LYS 91 HA LYS 91 12.142 0.082 14.770 551 1HB LYS 91 HB2 LYS 91 10.410 -1.132 13.000 552 2HB LYS 91 HB1 LYS 91 11.766 -2.250 13.047 553 1HG LYS 91 HG2 LYS 91 10.573 -3.087 14.775 554 2HG LYS 91 HG1 LYS 91 11.487 -1.866 15.661 555 1HD LYS 91 HD2 LYS 91 8.931 -1.004 14.437 556 2HD LYS 91 HD1 LYS 91 8.826 -2.092 15.823 557 1HE LYS 91 HE2 LYS 91 8.904 -0.160 16.987 558 2HE LYS 91 HE1 LYS 91 10.641 -0.345 16.752 559 1HZ LYS 91 HZ1 LYS 91 9.293 1.851 16.098 560 2HZ LYS 91 HZ2 LYS 91 9.217 1.024 14.624 561 3HZ LYS 91 HZ3 LYS 91 10.719 1.372 15.322 562 H SER 92 HN SER 92 13.454 -2.223 14.817 563 HA SER 92 HA SER 92 15.877 -1.824 13.194 564 1HB SER 92 HB2 SER 92 17.225 -2.493 15.178 565 2HB SER 92 HB1 SER 92 16.347 -0.984 15.426 566 HG SER 92 HG SER 92 14.988 -1.975 16.790 567 H GLU 93 HN GLU 93 14.386 -4.149 15.454 568 HA GLU 93 HA GLU 93 15.670 -6.411 14.369 569 1HB GLU 93 HB2 GLU 93 14.098 -5.912 16.571 570 2HB GLU 93 HB1 GLU 93 13.051 -6.922 15.583 571 1HG GLU 93 HG2 GLU 93 14.229 -8.371 17.017 572 2HG GLU 93 HG1 GLU 93 14.955 -8.552 15.420 573 H SER 94 HN SER 94 13.650 -8.276 13.940 574 HA SER 94 HA SER 94 12.337 -7.272 11.502 575 1HB SER 94 HB2 SER 94 12.699 -9.901 10.921 576 2HB SER 94 HB1 SER 94 13.816 -8.627 10.432 577 HG SER 94 HG SER 94 14.007 -10.335 12.685 578 H ARG 95 HN ARG 95 10.330 -8.201 10.965 579 HA ARG 95 HA ARG 95 8.946 -9.378 13.264 580 1HB ARG 95 HB2 ARG 95 8.245 -7.372 11.396 581 2HB ARG 95 HB1 ARG 95 7.178 -8.737 11.092 582 1HG ARG 95 HG2 ARG 95 6.993 -8.636 13.756 583 2HG ARG 95 HG1 ARG 95 7.348 -6.939 13.427 584 1HD ARG 95 HD2 ARG 95 5.409 -6.631 12.212 585 2HD ARG 95 HD1 ARG 95 5.256 -8.345 11.827 586 HE ARG 95 HE ARG 95 4.938 -8.231 14.532 587 1HH1 ARG 95 HH11 ARG 95 3.387 -6.675 11.820 588 2HH1 ARG 95 HH12 ARG 95 1.857 -6.530 12.618 589 1HH2 ARG 95 HH21 ARG 95 2.926 -8.041 15.583 590 2HH2 ARG 95 HH22 ARG 95 1.595 -7.306 14.754 591 H ARG 96 HN ARG 96 8.148 -11.392 13.244 592 HA ARG 96 HA ARG 96 8.837 -13.127 11.053 593 1HB ARG 96 HB2 ARG 96 7.789 -14.893 12.504 594 2HB ARG 96 HB1 ARG 96 9.120 -14.018 13.249 595 1HG ARG 96 HG2 ARG 96 7.648 -12.755 14.608 596 2HG ARG 96 HG1 ARG 96 6.236 -13.309 13.708 597 1HD ARG 96 HD2 ARG 96 7.745 -15.544 14.728 598 2HD ARG 96 HD1 ARG 96 7.323 -14.430 16.027 599 HE ARG 96 HE ARG 96 5.533 -16.106 14.529 600 1HH1 ARG 96 HH11 ARG 96 5.801 -13.208 16.454 601 2HH1 ARG 96 HH12 ARG 96 4.132 -13.210 16.917 602 1HH2 ARG 96 HH21 ARG 96 3.339 -16.112 15.136 603 2HH2 ARG 96 HH22 ARG 96 2.734 -14.860 16.169 604 H ALA 97 HN ALA 97 7.282 -14.607 10.059 605 HA ALA 97 HA ALA 97 4.487 -14.085 10.152 606 1HB ALA 97 HB1 ALA 97 5.622 -13.326 7.503 607 2HB ALA 97 HB2 ALA 97 5.599 -12.133 8.801 608 3HB ALA 97 HB3 ALA 97 4.092 -12.864 8.248 609 H ASP 98 HN ASP 98 4.200 -16.273 10.279 610 HA ASP 98 HA ASP 98 5.414 -18.034 8.325 611 1HB ASP 98 HB2 ASP 98 4.713 -18.404 10.919 612 2HB ASP 98 HB1 ASP 98 3.309 -19.094 10.110 613 H GLU 99 HN GLU 99 3.895 -19.761 7.357 614 HA GLU 99 HA GLU 99 1.640 -18.342 6.112 615 1HB GLU 99 HB2 GLU 99 3.740 -19.524 4.878 616 2HB GLU 99 HB1 GLU 99 2.606 -20.866 4.912 617 1HG GLU 99 HG2 GLU 99 0.922 -19.398 3.832 618 2HG GLU 99 HG1 GLU 99 2.164 -18.154 3.689 619 H ARG 100 HN ARG 100 -0.370 -19.324 5.923 620 HA ARG 100 HA ARG 100 -1.081 -21.100 8.027 621 1HB ARG 100 HB2 ARG 100 -3.336 -20.985 7.103 622 2HB ARG 100 HB1 ARG 100 -2.619 -19.381 7.181 623 1HG ARG 100 HG2 ARG 100 -2.117 -19.485 4.794 624 2HG ARG 100 HG1 ARG 100 -2.833 -21.097 4.715 625 1HD ARG 100 HD2 ARG 100 -4.515 -19.639 3.963 626 2HD ARG 100 HD1 ARG 100 -4.953 -20.031 5.626 627 HE ARG 100 HE ARG 100 -3.389 -17.632 5.375 628 1HH1 ARG 100 HH11 ARG 100 -6.612 -18.967 5.301 629 2HH1 ARG 100 HH12 ARG 100 -7.377 -17.467 5.706 630 1HH2 ARG 100 HH21 ARG 100 -4.392 -15.658 5.907 631 2HH2 ARG 100 HH22 ARG 100 -6.117 -15.588 6.048 632 H LEU 101 HN LEU 101 -0.362 -21.497 4.630 633 HA LEU 101 HA LEU 101 -0.669 -24.404 4.967 634 1HB LEU 101 HB2 LEU 101 -2.096 -22.714 3.184 635 2HB LEU 101 HB1 LEU 101 -1.006 -23.694 2.221 636 HG LEU 101 HG LEU 101 -2.174 -25.500 4.002 637 H LYS 102 HN LYS 102 0.787 -25.707 3.779 638 HA LYS 102 HA LYS 102 3.184 -24.265 2.849 639 1HB LYS 102 HB2 LYS 102 4.484 -26.239 3.548 640 2HB LYS 102 HB1 LYS 102 3.628 -25.501 4.895 641 1HG LYS 102 HG2 LYS 102 2.892 -27.538 5.377 642 2HG LYS 102 HG1 LYS 102 1.850 -27.393 3.961 643 1HD LYS 102 HD2 LYS 102 2.895 -29.259 3.270 644 2HD LYS 102 HD1 LYS 102 4.203 -28.161 2.825 645 1HE LYS 102 HE2 LYS 102 5.353 -28.589 4.873 646 2HE LYS 102 HE1 LYS 102 3.980 -29.485 5.521 647 1HZ LYS 102 HZ1 LYS 102 5.411 -30.353 3.080 648 2HZ LYS 102 HZ2 LYS 102 4.367 -31.256 4.058 649 3HZ LYS 102 HZ3 LYS 102 5.903 -30.833 4.626 650 H ASP 103 HN ASP 103 0.850 -25.036 1.261 651 HA ASP 103 HA ASP 103 2.267 -26.641 -0.739 652 1HB ASP 103 HB2 ASP 103 -0.615 -27.100 0.063 653 2HB ASP 103 HB1 ASP 103 0.239 -27.929 -1.236 654 H SER 104 HN SER 104 -0.803 -24.897 -0.213 655 HA SER 104 HA SER 104 -1.907 -23.351 -1.462 656 1HB SER 104 HB2 SER 104 0.097 -22.002 -1.157 657 2HB SER 104 HB1 SER 104 0.877 -22.806 -2.519 658 HG SER 104 HG SER 104 0.041 -20.901 -3.276 659 H PHE 105 HN PHE 105 -3.130 -24.847 -2.628 660 HA PHE 105 HA PHE 105 -2.272 -26.245 -4.897 661 1HB PHE 105 HB2 PHE 105 -4.367 -26.691 -3.588 662 2HB PHE 105 HB1 PHE 105 -5.084 -25.277 -4.354 663 HD1 PHE 105 HD1 PHE 105 -3.017 -28.101 -5.647 664 HD2 PHE 105 HD2 PHE 105 -6.669 -25.929 -5.875 665 HE1 PHE 105 HE1 PHE 105 -3.722 -29.494 -7.548 666 HE2 PHE 105 HE2 PHE 105 -7.382 -27.319 -7.776 667 HZ PHE 105 HZ PHE 105 -5.907 -29.105 -8.615 668 H GLU 106 HN GLU 106 -2.933 -25.904 -7.142 669 HA GLU 106 HA GLU 106 -2.950 -24.689 -9.064 670 1HB GLU 106 HB2 GLU 106 -4.894 -23.539 -7.390 671 2HB GLU 106 HB1 GLU 106 -4.008 -22.188 -8.084 672 1HG GLU 106 HG2 GLU 106 -5.205 -22.391 -9.926 673 2HG GLU 106 HG1 GLU 106 -4.485 -23.979 -10.192 674 H ASN 107 HN ASN 107 -2.138 -22.613 -10.086 675 HA ASN 107 HA ASN 107 -0.191 -21.153 -8.498 676 1HB ASN 107 HB2 ASN 107 0.537 -23.080 -10.679 677 2HB ASN 107 HB1 ASN 107 1.527 -21.649 -10.406
Contact the webmaster for help, if required. Saturday, May 18, 2024 11:52:28 AM GMT (wattos1)